#DEFINITION	Reference Metabolome for Pinellia pedatisecta
#IDENTTFIER	RefMeta-Pinellia pedatisecta.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Pinellia pedatisecta
#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 Pinellia pedatisecta was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78708	0.2
70.96306	0.2
71.07378	3.2
71.08348	0.2
71.08637	2.3
74.90267	0.2
80.62443	0.2
81.07049	1.4
83.08621	0.7
85.10181	1.4
86.09707	18.0
90.63739	0.2
95.08608	1.6
97.10152	0.5
98.23370	0.5
104.10744	100.0
105.10465	0.3
105.11058	1.3
106.58089	0.2
109.10152	0.9
123.11693	0.3
146.98180	14.5
176.99274	0.7
179.20131	0.2
184.07431	0.4
236.93950	0.3
239.23759	0.3
257.24686	0.3
262.95523	0.3
280.96710	0.5
304.98798	0.2
313.27365	8.9
314.27734	0.3
352.19498	0.2
415.22223	0.9
459.24826	37.4
460.25552	1.6
518.32178	61.4
519.32550	4.6
768.70355	0.3
858.75342	0.3
955.42688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	9.7
71.33136	2.4
72.08153	2.9
79.05488	4.1
80.05018	2.8
81.03448	2.4
82.06586	3.4
84.04540	1.5
84.08153	2.8
85.02921	4.1
86.09708	4.5
91.05495	4.1
91.47190	1.1
93.07050	5.8
94.06564	9.7
95.07345	10.4
96.08131	14.8
97.02917	2.3
97.06536	1.8
101.07156	1.3
103.05470	1.2
106.06556	7.6
107.07349	4.3
108.08118	16.4
110.06039	6.6
110.09680	27.8
120.08109	29.0
121.08919	2.6
122.06067	3.8
122.09663	11.0
124.07630	2.7
134.06000	11.4
134.09586	1.6
136.07582	9.6
138.05508	6.6
138.09140	100.0
148.03955	2.0
148.07623	2.5
150.09146	6.4
152.07062	3.9
160.03899	2.8
161.35399	1.6
163.03865	1.3
164.07060	8.9
166.08609	8.6
172.03960	1.3
174.09142	2.7
177.05479	1.5
192.10262	2.9
197.10876	1.5
199.08696	2.5
209.10753	1.3
211.08698	1.7
212.09222	1.2
213.06627	2.1
213.10283	3.6
223.08652	2.7
223.12196	1.7
225.10234	6.6
226.10927	3.8
227.08104	4.0
227.11839	5.7
229.09534	1.3
234.51233	1.5
235.08533	1.5
237.10162	7.9
237.13855	2.2
238.11078	3.2
239.08171	4.4
239.11835	11.5
240.12491	2.6
241.09755	7.5
241.13435	2.6
242.10475	8.6
243.11264	2.8
248.09810	1.4
249.10289	4.5
250.11043	5.1
251.08286	4.1
251.11761	9.7
252.12634	4.0
253.09692	10.7
253.13368	4.8
254.10492	4.2
255.07692	2.0
255.11327	10.3
263.11832	8.1
264.12494	2.8
265.09747	8.1
265.13229	8.1
266.10434	5.1
267.11282	13.6
268.12088	1.8
269.09399	2.1
269.12833	5.7
270.10019	4.2
278.10501	1.4
279.11295	6.3
281.09503	2.4
281.12897	6.8
282.13623	2.5
283.10892	7.6
283.13754	1.6
285.12311	8.4
287.10275	3.2
287.13913	3.5
291.11246	3.7
293.09601	1.8
293.12808	5.1
295.10840	5.7
296.11508	3.7
297.12384	11.2
298.09659	1.6
298.13095	2.1
299.10449	2.2
299.13959	4.7
300.11285	2.2
300.14465	3.2
301.11926	4.6
309.12320	29.0
310.12552	1.5
311.10254	7.0
311.13947	13.0
313.11841	19.6
314.12534	3.4
315.13290	13.4
319.10614	1.9
321.08774	1.7
321.12335	5.3
323.10208	3.6
325.11707	7.5
327.13403	22.6
327.16953	2.5
329.11337	2.5
337.11789	10.2
338.12354	2.1
339.09634	3.6
339.13431	7.7
341.11307	7.8
341.15024	2.0
342.12170	2.4
342.15939	1.7
343.12878	39.2
344.13638	5.3
345.14526	1.9
347.15976	1.8
355.12906	2.6
357.14478	4.0
369.14493	22.7
370.15048	2.6
371.12277	8.4
371.16342	15.7
372.17151	1.7
373.13922	23.3
374.14676	4.0
375.15436	7.5
379.13577	1.6
388.16470	2.0
389.13919	1.6
404.16150	1.8
406.17609	1.6
420.19345	3.6
430.17270	1.4
432.19458	3.1
434.17200	6.0
446.17026	3.4
450.16391	1.8
458.18411	5.9
462.16278	7.1
464.18109	4.9
472.18820	3.0
476.18237	8.7
478.16077	4.7
480.17624	10.0
490.19772	12.9
492.17209	6.3
494.19150	14.2
496.20807	9.8
506.19299	1.6
508.20822	29.5
509.20959	1.9
510.18658	4.2
512.20245	69.1
513.20483	4.4
520.20624	3.2
522.22321	2.9
526.21497	3.0
536.20398	3.1
538.21912	2.1
581.23395	1.6
583.25140	2.4
599.24298	6.4
609.22925	6.1
613.26514	5.6
617.25677	5.4
627.24548	24.3
628.25018	3.0
631.27692	25.7
632.27563	3.9
641.25775	3.3
643.27606	2.7
645.25525	15.9
649.28815	13.9
656.24335	2.6
659.27002	23.5
660.26410	2.8
674.25208	3.0
677.28088	27.6
739.28931	1.8
771.28229	2.3
789.29175	2.4
793.32404	3.0
805.32751	2.0
821.31628	2.2
839.32288	2.0
1001.47003	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	1003.402
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	4.7
71.29377	0.8
71.29748	0.9
72.08143	1.1
79.05488	2.7
80.05017	2.7
81.03390	1.7
81.05785	1.4
82.06577	2.1
84.04520	0.8
84.08147	0.9
85.02896	2.6
86.09705	2.5
91.05476	4.3
93.07040	7.2
94.06564	11.2
95.04969	1.4
95.07344	8.8
95.08612	1.1
96.07555	1.1
96.08134	14.6
97.02892	1.2
97.06538	1.0
103.05471	1.9
105.90379	0.7
106.06549	4.4
107.07356	5.1
108.08115	15.2
108.29435	0.7
109.02887	1.4
109.08901	1.1
110.05277	0.9
110.06045	15.7
110.09680	26.4
118.06610	1.0
120.04398	1.0
120.08102	27.8
121.06534	0.8
121.08874	2.2
122.06014	1.4
122.09673	13.2
123.06789	3.3
124.03945	0.8
124.07607	4.5
125.97015	0.7
127.03881	1.4
129.10233	0.9
131.07327	0.8
134.06035	5.3
136.07582	7.7
138.09138	100.0
139.09473	2.8
139.79015	0.6
140.07042	1.8
142.08592	0.9
145.02713	0.7
146.09595	1.3
148.03947	1.2
148.07614	2.1
150.09129	5.2
152.07111	1.2
154.08582	2.0
160.03944	1.3
162.09183	1.0
163.03865	1.4
164.07060	3.3
166.08614	9.9
168.10243	0.8
172.03850	0.8
174.09143	2.5
176.03505	1.1
178.04951	0.8
178.08708	0.9
192.10100	0.7
197.10718	0.8
198.11487	0.8
199.08714	1.8
211.12244	1.6
213.06714	1.2
213.10272	3.0
214.10957	0.9
220.09720	2.3
221.10522	1.0
223.12297	1.0
224.10995	1.2
225.10162	3.6
226.10770	1.2
227.08202	2.4
227.11737	4.0
229.09653	2.0
235.09079	0.9
237.10231	5.4
238.10899	1.5
239.08237	3.2
239.11768	7.5
240.08940	1.9
240.12469	1.2
241.09729	5.7
241.13307	1.7
242.10501	5.2
243.11278	2.8
249.10237	2.0
250.10994	2.5
251.08211	2.9
251.11835	4.6
252.08676	1.4
253.09715	9.1
253.13350	3.1
254.10376	4.6
255.07736	2.3
255.11282	10.1
256.09680	1.1
256.12143	2.0
257.12784	1.2
259.10779	1.6
263.11801	4.4
264.12534	1.9
265.09940	5.5
265.13147	5.4
266.10416	2.3
266.14081	0.7
267.08072	1.3
267.11270	13.5
268.11942	1.8
269.09354	1.3
269.12830	5.1
270.09860	3.2
271.10782	1.2
271.14386	0.9
273.12292	1.0
275.11642	0.8
277.09628	1.0
278.10379	0.9
279.11349	3.4
280.11884	0.8
281.09277	2.2
281.12827	4.8
282.13437	1.5
283.10773	4.8
283.14029	1.2
284.11514	1.1
285.12283	10.2
286.12900	1.3
287.10291	2.1
287.13910	4.8
289.11841	0.9
291.11224	1.9
293.09464	1.4
293.12869	2.7
294.13452	0.9
295.10751	7.0
296.11469	1.5
297.12286	7.7
298.09628	2.8
299.10248	2.2
299.13812	4.4
300.10950	1.9
300.14359	1.6
301.11813	3.8
307.10818	1.6
307.16666	0.9
309.12317	15.2
310.12775	1.0
311.10233	8.3
311.13889	6.4
313.11807	24.4
314.12387	2.2
315.13416	13.7
319.13266	1.0
321.12338	2.5
323.10339	3.3
323.13727	0.8
325.11832	7.7
327.09784	1.3
327.13391	15.1
328.13818	1.4
329.11218	1.5
337.11777	5.2
338.12296	1.2
339.10077	3.8
339.12820	3.8
341.11368	11.7
341.15024	1.3
342.11832	1.0
343.12845	30.5
344.13147	2.2
345.14529	9.6
346.15146	0.8
347.15930	2.9
353.11371	1.2
355.12881	2.2
357.14420	1.7
358.15240	0.9
359.12451	1.0
369.10211	1.2
369.14511	15.2
370.15109	1.3
371.12228	10.6
371.16116	8.5
372.12363	1.2
373.13934	30.8
374.14493	3.8
375.15530	9.9
391.15460	0.9
404.15738	0.8
419.16211	1.0
420.19327	1.1
422.20807	1.9
428.18130	2.5
436.18689	1.9
438.20374	1.2
446.16962	1.2
448.18393	2.0
452.17886	1.8
454.19623	2.2
460.20514	3.6
462.20035	0.8
464.18130	6.5
465.17480	1.1
466.19653	5.0
467.19031	0.8
478.19568	8.2
480.17566	11.5
481.17847	1.3
482.19232	20.0
486.22263	1.2
490.19824	7.1
494.19492	0.9
496.20599	3.4
498.22293	9.5
499.22720	1.4
506.19519	1.2
508.20761	1.9
510.22412	15.4
511.22668	1.5
512.20117	12.6
513.20184	1.9
514.21820	57.9
515.22296	4.5
520.20557	2.4
522.22394	1.1
538.21600	2.0
540.23492	1.6
585.27112	1.8
601.26422	7.7
603.28107	0.9
611.25067	3.4
613.26312	1.0
619.27588	11.4
620.27692	1.1
629.26068	23.1
630.26062	2.2
633.29108	24.1
634.29980	3.5
642.24738	0.8
647.27045	29.6
648.27325	3.3
651.30212	23.8
651.41223	0.9
652.30133	2.7
654.25885	1.1
661.28607	19.1
662.28583	2.0
679.29706	62.8
680.30121	7.8
773.28809	1.1
795.33881	1.3
823.33264	1.7
828.75372	0.9
841.34509	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	1003.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53290	2.0
69.62132	10.1
69.62433	2.8
70.06593	20.8
72.08146	5.3
74.34068	1.9
79.05514	2.2
81.03413	6.1
84.04516	1.9
84.08138	6.8
85.02916	11.6
86.09696	5.2
91.05464	6.2
93.05811	2.4
93.07045	4.9
94.06558	10.0
95.08577	1.7
96.08134	6.9
97.02878	7.0
105.07042	2.1
106.06566	2.0
106.21865	1.8
107.07368	2.0
108.08104	22.1
109.02906	11.2
110.06043	2.1
110.07175	2.4
110.09684	9.3
120.08106	14.6
121.06508	5.8
121.30920	1.8
122.06039	15.5
122.09679	12.8
124.07634	3.1
127.03909	7.2
128.10693	2.2
129.10229	4.0
130.06506	2.5
131.07268	2.8
132.08078	2.4
134.09630	2.1
135.04366	2.1
136.07578	29.8
136.79890	1.8
138.09128	44.9
138.10182	2.6
139.09491	2.1
144.08054	1.8
145.02829	2.7
145.05040	2.2
146.09639	4.2
148.07576	3.7
150.09167	9.3
158.09712	2.6
160.07610	3.3
162.09134	2.6
163.03917	5.6
164.07091	5.2
166.08624	16.8
166.09933	2.4
169.13576	2.0
171.09105	2.0
172.07567	2.4
173.10706	2.3
174.09190	17.7
177.05446	4.4
178.08659	2.1
183.08954	1.8
185.10855	2.4
187.05997	6.4
187.08690	4.6
188.09267	2.6
188.10817	2.3
192.10199	36.0
199.08685	6.7
200.10849	2.4
201.06512	3.1
201.10208	12.1
202.08641	6.5
204.10211	6.4
205.07095	3.3
207.06688	2.0
208.09813	2.0
211.14287	2.3
213.10236	8.4
215.08096	14.9
215.11649	8.4
216.08899	10.4
218.08162	2.3
220.09654	28.2
223.08636	2.5
225.10240	3.1
226.08624	3.3
227.08177	13.6
227.11903	4.5
229.09692	19.6
230.08018	3.1
231.11284	2.5
237.10268	3.5
238.10832	4.8
239.08203	3.0
239.11813	2.7
241.09715	15.1
242.10330	4.0
243.11282	19.9
244.11900	4.2
245.09198	4.5
245.12859	9.1
246.07616	2.4
247.08284	2.4
247.10841	6.2
248.09171	3.6
251.08292	2.7
251.11816	3.8
253.09773	6.7
254.10420	4.1
255.11380	5.7
259.10782	39.9
260.11142	4.2
261.12372	26.3
265.09634	2.7
265.13486	2.1
267.08673	1.7
267.11337	13.0
267.13852	2.0
269.09244	13.1
269.12674	3.0
270.09988	2.9
271.10745	14.0
273.08685	2.5
279.11090	3.0
281.09506	2.9
281.12863	3.0
283.10794	7.2
285.12387	6.7
287.10294	53.5
287.13470	2.9
288.10956	6.9
289.11826	52.5
295.10788	7.1
297.08673	5.2
297.12210	4.5
299.10355	15.1
301.11868	4.5
303.13266	2.0
305.11298	5.7
306.12314	2.7
309.12427	6.7
310.13138	3.6
311.10257	5.0
311.13766	3.9
313.11829	19.1
314.12564	4.0
314.72620	2.0
315.13428	6.8
319.12909	36.6
320.13358	4.0
321.14529	29.3
325.11880	5.9
327.13361	8.7
329.11377	7.4
331.12885	5.8
333.10876	9.9
339.09814	9.0
341.11316	9.1
343.12839	20.1
344.13562	2.4
345.14694	3.1
353.11215	4.7
355.12851	7.0
357.10800	30.9
357.14734	3.8
359.12332	14.1
365.13733	10.7
369.14520	3.1
370.15347	2.8
371.12216	3.9
373.13934	16.1
374.14633	5.5
375.15540	4.2
385.13928	3.5
387.15662	5.2
388.16403	2.9
389.13458	31.2
390.13806	3.7
391.15042	17.1
410.16998	8.7
414.17694	2.1
418.17224	3.0
430.17358	2.4
434.17102	5.6
436.18304	2.4
442.19754	93.9
443.19568	9.2
446.17007	2.6
462.20547	3.1
464.18103	6.3
476.17596	2.2
480.17462	23.8
481.17734	3.0
490.19690	5.2
492.21423	4.3
494.18704	3.6
496.20755	25.8
497.21271	2.8
506.19315	2.3
508.21091	3.6
512.20270	100.0
513.20605	9.2
520.20709	2.7
521.19550	4.1
522.22089	2.1
583.25317	5.0
601.26318	6.9
611.24921	20.9
612.24396	5.0
615.28174	14.7
616.28027	2.4
629.25995	34.7
630.25653	3.7
633.29590	11.5
643.27563	86.8
644.26886	13.5
647.26978	2.8
661.17975	3.4
661.28662	62.8
662.28619	7.3
679.29578	3.4
683.24286	3.4
685.27026	2.4
791.30768	3.1
805.33289	9.8
806.32037	5.3
823.32800	5.5
1003.47858	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	1003.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53290	2.0
69.62132	10.1
69.62433	2.8
70.06593	20.8
72.08146	5.3
74.34068	1.9
79.05514	2.2
81.03413	6.1
84.04516	1.9
84.08138	6.8
85.02916	11.6
86.09696	5.2
91.05464	6.2
93.05811	2.4
93.07045	4.9
94.06558	10.0
95.08577	1.7
96.08134	6.9
97.02878	7.0
105.07042	2.1
106.06566	2.0
106.21865	1.8
107.07368	2.0
108.08104	22.1
109.02906	11.2
110.06043	2.1
110.07175	2.4
110.09684	9.3
120.08106	14.6
121.06508	5.8
121.30920	1.8
122.06039	15.5
122.09679	12.8
124.07634	3.1
127.03909	7.2
128.10693	2.2
129.10229	4.0
130.06506	2.5
131.07268	2.8
132.08078	2.4
134.09630	2.1
135.04366	2.1
136.07578	29.8
136.79890	1.8
138.09128	44.9
138.10182	2.6
139.09491	2.1
144.08054	1.8
145.02829	2.7
145.05040	2.2
146.09639	4.2
148.07576	3.7
150.09167	9.3
158.09712	2.6
160.07610	3.3
162.09134	2.6
163.03917	5.6
164.07091	5.2
166.08624	16.8
166.09933	2.4
169.13576	2.0
171.09105	2.0
172.07567	2.4
173.10706	2.3
174.09190	17.7
177.05446	4.4
178.08659	2.1
183.08954	1.8
185.10855	2.4
187.05997	6.4
187.08690	4.6
188.09267	2.6
188.10817	2.3
192.10199	36.0
199.08685	6.7
200.10849	2.4
201.06512	3.1
201.10208	12.1
202.08641	6.5
204.10211	6.4
205.07095	3.3
207.06688	2.0
208.09813	2.0
211.14287	2.3
213.10236	8.4
215.08096	14.9
215.11649	8.4
216.08899	10.4
218.08162	2.3
220.09654	28.2
223.08636	2.5
225.10240	3.1
226.08624	3.3
227.08177	13.6
227.11903	4.5
229.09692	19.6
230.08018	3.1
231.11284	2.5
237.10268	3.5
238.10832	4.8
239.08203	3.0
239.11813	2.7
241.09715	15.1
242.10330	4.0
243.11282	19.9
244.11900	4.2
245.09198	4.5
245.12859	9.1
246.07616	2.4
247.08284	2.4
247.10841	6.2
248.09171	3.6
251.08292	2.7
251.11816	3.8
253.09773	6.7
254.10420	4.1
255.11380	5.7
259.10782	39.9
260.11142	4.2
261.12372	26.3
265.09634	2.7
265.13486	2.1
267.08673	1.7
267.11337	13.0
267.13852	2.0
269.09244	13.1
269.12674	3.0
270.09988	2.9
271.10745	14.0
273.08685	2.5
279.11090	3.0
281.09506	2.9
281.12863	3.0
283.10794	7.2
285.12387	6.7
287.10294	53.5
287.13470	2.9
288.10956	6.9
289.11826	52.5
295.10788	7.1
297.08673	5.2
297.12210	4.5
299.10355	15.1
301.11868	4.5
303.13266	2.0
305.11298	5.7
306.12314	2.7
309.12427	6.7
310.13138	3.6
311.10257	5.0
311.13766	3.9
313.11829	19.1
314.12564	4.0
314.72620	2.0
315.13428	6.8
319.12909	36.6
320.13358	4.0
321.14529	29.3
325.11880	5.9
327.13361	8.7
329.11377	7.4
331.12885	5.8
333.10876	9.9
339.09814	9.0
341.11316	9.1
343.12839	20.1
344.13562	2.4
345.14694	3.1
353.11215	4.7
355.12851	7.0
357.10800	30.9
357.14734	3.8
359.12332	14.1
365.13733	10.7
369.14520	3.1
370.15347	2.8
371.12216	3.9
373.13934	16.1
374.14633	5.5
375.15540	4.2
385.13928	3.5
387.15662	5.2
388.16403	2.9
389.13458	31.2
390.13806	3.7
391.15042	17.1
410.16998	8.7
414.17694	2.1
418.17224	3.0
430.17358	2.4
434.17102	5.6
436.18304	2.4
442.19754	93.9
443.19568	9.2
446.17007	2.6
462.20547	3.1
464.18103	6.3
476.17596	2.2
480.17462	23.8
481.17734	3.0
490.19690	5.2
492.21423	4.3
494.18704	3.6
496.20755	25.8
497.21271	2.8
506.19315	2.3
508.21091	3.6
512.20270	100.0
513.20605	9.2
520.20709	2.7
521.19550	4.1
522.22089	2.1
583.25317	5.0
601.26318	6.9
611.24921	20.9
612.24396	5.0
615.28174	14.7
616.28027	2.4
629.25995	34.7
630.25653	3.7
633.29590	11.5
643.27563	86.8
644.26886	13.5
647.26978	2.8
661.17975	3.4
661.28662	62.8
662.28619	7.3
679.29578	3.4
683.24286	3.4
685.27026	2.4
791.30768	3.1
805.33289	9.8
806.32037	5.3
823.32800	5.5
1003.47858	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	1004.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	84.7
70.77401	0.3
71.06911	0.9
71.28887	0.6
72.08157	0.4
74.06078	4.4
83.06091	0.5
84.04499	6.6
84.08140	29.1
85.08473	0.5
98.06059	0.7
101.07154	1.2
101.10791	0.6
102.05560	1.3
104.26747	0.3
110.05901	0.3
110.09700	0.4
111.09193	1.0
112.07600	100.0
113.07209	0.6
113.07952	1.6
113.90685	0.3
115.08776	0.3
116.07096	0.3
122.06028	0.5
123.09112	0.3
127.08698	0.4
129.10236	34.0
130.04967	0.9
130.10582	0.6
139.08640	1.6
140.07057	79.9
141.07457	1.6
150.05490	0.6
150.09105	0.4
151.08641	1.7
155.08113	0.8
155.11826	1.2
157.09715	24.8
161.09184	0.8
167.08174	1.1
167.11829	1.1
168.06538	0.7
168.11331	0.8
169.09755	0.5
171.07668	0.6
171.11275	0.6
177.08757	0.8
177.10153	0.4
184.10774	0.4
185.09268	1.1
185.12827	0.8
186.12372	0.5
189.08768	1.0
194.09251	0.6
194.12926	1.1
195.07648	0.5
195.11296	0.8
196.10780	0.6
203.10263	2.3
212.10306	0.9
212.13950	2.2
213.08693	1.6
213.12428	0.6
216.09898	0.3
226.11894	0.7
230.11398	0.4
230.14975	6.7
230.17062	0.5
231.09830	2.5
234.12512	0.3
240.13419	5.3
250.11830	0.6
268.12903	16.8
269.13440	0.6
269.16074	0.6
296.12631	0.4
306.14560	0.5
313.18832	0.4
314.13242	0.4
323.17163	2.1
325.15201	1.3
331.19827	0.5
332.14529	2.7
333.15488	0.5
334.13855	1.7
341.18347	1.4
351.16614	13.4
352.16571	0.4
359.19269	0.7
369.17673	6.1
370.17981	0.4
388.21973	0.6
406.22940	4.3
407.23526	0.5
442.23108	0.9
452.21573	0.6
454.18896	0.3
460.24216	0.8
463.18472	0.6
480.20865	10.6
481.21152	1.1
489.26520	0.5
498.21933	6.1
507.27750	6.1
508.28485	0.4
553.26300	0.5
555.24042	0.5
561.28937	0.5
563.24738	0.6
581.25305	2.4
582.24213	0.5
599.26599	6.9
600.27313	0.7
636.31897	1.2
691.33936	0.5
692.33704	0.4
709.35205	2.0
710.36932	0.4
727.36816	0.9
733.07544	0.4
737.37134	1.6
766.37415	1.2
784.39215	0.6
792.38605	0.8
810.40112	3.3
811.40613	0.5
828.40741	7.4
829.41461	0.8
879.42108	0.9
897.43121	2.0
898.42560	0.6
915.43878	3.2
947.49310	0.4
968.46606	1.0
986.48212	4.1
987.47296	0.7
1004.48889	47.6
1005.49176	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
56.96555	1.7
58.96170	2.7
59.04987	1.1
59.93092	0.7
59.95488	0.4
60.04509	1.1
60.95124	1.3
61.52407	0.4
71.28482	0.5
71.95262	0.9
73.94850	0.8
74.06069	1.9
74.09721	0.4
74.84412	0.4
75.65246	0.4
82.99824	1.4
84.06741	0.4
90.58445	0.5
93.41169	0.4
100.97189	1.4
100.98030	0.8
101.00879	23.4
101.02589	1.7
101.07923	0.7
102.00961	1.3
102.02251	1.2
102.05503	0.6
102.09174	3.9
119.01922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.05040	4.1
56.96564	2.4
58.96161	3.4
59.05014	1.0
59.93109	0.8
60.04519	2.6
60.95860	1.0
67.23604	0.7
71.34856	0.9
71.95264	1.9
73.94862	0.8
74.06085	1.8
79.65260	0.7
82.99854	3.0
84.08115	0.9
100.97190	2.6
100.98002	0.9
101.00890	32.2
101.02569	2.6
101.07941	1.1
102.00964	1.3
102.02220	1.3
102.05540	1.4
102.09181	3.1
116.12675	0.8
119.01926	100.0
119.03640	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	1013.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	15.9
72.08154	20.8
78.54449	7.6
91.05481	17.9
93.07048	12.1
94.06560	28.8
95.07322	9.5
95.08618	13.1
96.08179	21.3
98.23322	18.2
107.07322	10.3
108.08121	41.1
108.98640	8.7
110.09691	44.7
113.44185	8.8
120.08138	30.9
122.06083	22.7
136.07579	25.1
138.09151	71.1
145.02872	10.6
148.07547	14.4
160.03975	18.9
164.07104	10.3
166.08633	63.5
175.03854	9.9
189.12703	11.8
202.31728	9.4
211.08453	11.1
213.10287	16.1
223.08649	16.7
225.10234	49.5
226.10889	17.2
227.11832	21.0
237.10210	34.3
238.10950	15.7
239.08208	16.7
239.11774	70.1
240.12465	17.8
241.13264	14.0
248.13008	10.7
249.10281	11.6
250.11011	26.3
251.11813	77.6
252.12511	14.8
253.09737	31.0
253.13426	62.8
254.10556	23.0
263.11810	40.5
264.12344	13.1
265.10095	18.3
265.13373	65.4
266.10541	19.5
266.13858	15.2
267.11221	45.9
271.10782	17.3
277.09851	14.1
279.08597	10.9
279.11215	54.3
281.12866	69.0
285.12296	25.8
291.11163	13.2
293.12796	37.3
295.14362	15.6
297.12292	20.9
299.13983	34.0
309.12289	67.9
310.12784	12.6
311.13828	46.8
313.15521	15.5
321.12238	17.9
325.11957	12.3
327.13516	47.4
328.13919	10.4
339.13455	16.8
341.15082	61.1
343.02066	9.5
353.14902	20.8
357.14175	10.2
369.14536	48.1
371.16101	19.3
372.16714	13.6
381.14023	12.6
411.15503	25.7
413.17352	9.8
425.16965	16.9
429.16513	21.0
435.15747	22.1
443.18170	25.6
453.16473	53.6
462.19983	14.8
465.16385	13.7
471.17487	42.4
474.20251	15.9
480.21518	13.0
492.21744	15.6
513.18555	18.7
514.19257	15.3
515.20062	21.6
522.22003	30.2
533.21332	13.0
534.22266	19.9
556.21118	12.6
557.20209	10.7
574.21844	23.3
586.22119	15.7
588.23077	25.3
592.23401	21.1
594.24365	35.1
600.23553	29.2
604.22620	27.4
606.24384	52.7
618.24060	41.3
624.25732	83.2
636.25525	100.0
637.24994	11.8
654.25775	16.2
693.28961	20.8
707.30597	21.6
721.28217	40.7
725.31982	71.9
739.29425	18.6
743.31458	15.7
753.31055	57.9
757.30328	14.4
771.32031	17.2
789.32910	13.7
893.63678	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	102.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58697	3.1
58.06598	6.3
60.04527	3.2
60.08155	3.6
60.95853	100.0
62.92987	18.8
69.72993	9.6
75.94547	32.3
76.57058	2.8
78.81905	2.6
102.96873	31.2
103.05416	3.8
103.09525	4.6
104.10726	9.3
120.97897	38.6
121.01627	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
51.02382	3.3
53.03950	22.3
54.04277	0.4
54.97844	0.3
55.01867	1.4
58.06593	0.8
60.08173	2.8
60.95851	3.8
62.92982	1.0
70.46858	1.2
75.94556	1.0
77.03928	4.6
81.03422	2.7
87.87742	0.4
95.04970	24.6
102.04688	4.9
102.96907	2.1
103.05471	100.0
103.77180	0.4
103.82532	0.5
104.05806	4.2
104.10743	6.9
105.04515	11.0
113.72433	0.4
120.47369	0.4
120.97939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.3
51.02385	4.6
53.03947	30.7
53.23393	0.4
54.04282	1.0
55.01872	1.4
56.97869	0.4
57.09804	0.4
58.06594	2.0
59.07394	0.5
60.08165	18.7
60.95847	3.2
61.01144	1.1
63.74930	0.5
67.64084	0.4
68.99773	0.6
69.40089	2.8
75.94541	1.2
77.03931	7.6
81.03411	3.5
95.04967	33.7
96.05289	1.0
102.04688	4.8
102.96863	2.1
103.05466	100.0
104.05811	4.6
104.10741	37.9
105.04508	15.2
110.07462	0.4
120.97868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
72.05328	0.6
72.08162	0.9
73.02916	2.9
73.06557	2.9
75.04483	3.3
79.05486	4.8
81.03413	5.4
81.07056	6.5
83.01336	0.7
83.04979	10.7
83.08619	0.5
84.08153	0.6
85.02901	100.0
86.03230	1.2
86.06045	0.3
86.09705	0.5
87.04456	3.1
87.35283	0.3
89.03893	0.4
91.03931	0.4
91.05469	6.2
93.07037	4.5
94.06521	0.3
95.04951	3.1
95.08598	3.4
97.02889	8.7
97.06525	5.5
97.10172	0.4
98.23289	0.3
99.04443	3.5
99.08112	0.4
101.06023	1.1
103.03957	0.8
105.07027	6.8
106.07365	0.3
106.76377	0.3
107.04962	1.1
107.08595	4.4
108.04459	0.3
108.08115	0.5
109.02883	3.3
109.06518	15.3
109.10153	6.6
110.06073	0.4
110.09688	0.3
111.04436	10.7
113.02395	0.4
113.06020	0.7
115.05447	0.7
115.07559	11.2
116.07912	0.3
117.05483	1.4
117.06987	1.7
119.04934	1.1
119.05946	0.2
119.08569	3.6
120.08098	0.7
121.06491	0.7
121.10133	6.1
123.04458	0.4
123.08054	0.3
123.11718	1.3
125.05979	0.7
125.09640	0.7
127.03913	7.4
127.11174	1.4
128.04341	0.3
128.06203	1.3
129.05475	40.2
129.06862	3.1
129.10240	0.4
130.05820	0.8
131.08566	5.9
133.10132	6.9
134.10439	0.3
135.04480	0.6
135.11725	1.5
136.07587	0.4
137.05988	0.6
138.09129	0.7
139.03918	0.4
139.07530	0.3
141.05457	0.3
141.07042	1.3
142.07762	3.8
143.08574	4.0
144.09308	0.5
145.02982	0.3
145.04953	5.0
145.10107	5.7
145.12228	0.6
147.04524	0.7
147.06519	18.7
147.11676	10.4
148.12003	0.4
149.05983	0.5
149.09584	0.8
149.13254	2.0
151.07550	0.6
151.11137	0.5
153.05495	2.2
153.69772	0.3
155.07156	0.2
155.08514	1.3
157.04982	0.5
157.10121	17.2
158.10454	0.8
159.06540	1.0
159.11682	7.6
161.06058	0.4
161.13281	2.4
163.03970	0.5
163.05974	2.9
163.11163	0.5
165.07629	0.7
165.09053	0.5
166.08676	0.7
167.10667	7.8
169.04990	0.5
169.10117	1.3
169.12248	0.6
171.06496	2.1
171.11693	3.8
172.12082	0.3
173.13255	2.5
175.03920	0.8
175.06038	0.5
175.11174	0.8
175.14731	0.3
177.05428	0.6
179.07062	0.4
181.10136	0.6
181.12021	0.3
183.06490	0.5
183.11687	2.0
185.13254	1.7
187.06133	0.3
187.14824	1.0
189.07620	0.7
193.08673	0.4
195.06509	0.5
195.11694	0.4
197.13235	2.7
199.05933	0.4
199.14854	0.9
200.48004	0.3
201.07562	1.0
205.06897	0.3
207.06584	1.5
208.06911	0.4
209.11719	0.5
211.14807	1.6
213.07559	1.1
213.16345	0.7
223.14697	0.5
224.15617	0.6
225.16382	1.1
226.11098	0.3
227.17992	0.3
229.07144	0.4
229.19450	0.4
231.08597	1.0
236.09589	0.3
237.07558	0.9
237.10109	0.3
238.17157	0.6
239.09152	5.5
239.11569	0.5
240.09363	0.3
240.12416	0.3
249.10240	0.4
250.10944	0.4
251.11784	0.4
251.17924	1.0
253.19498	41.7
254.19829	3.0
255.08617	2.4
255.21130	2.4
257.10223	2.9
263.11789	0.5
265.13266	0.4
269.13779	0.4
269.18988	0.6
271.20544	25.2
272.20880	1.7
273.09653	2.6
275.11288	3.8
279.11063	0.3
281.12863	0.4
283.24176	3.1
291.10742	1.0
293.12308	5.0
295.20407	0.4
309.12015	4.4
311.13895	0.9
319.10419	0.4
327.13419	1.9
361.28720	0.3
369.14597	1.9
371.15955	1.6
379.29913	2.0
397.31003	3.6
399.25143	0.6
415.32022	8.4
416.32391	1.0
417.26172	0.6
433.25830	0.6
466.19580	1.0
478.19617	1.0
492.21274	0.3
498.22232	0.7
510.22299	2.2
524.19220	0.3
577.37280	0.6
579.31403	0.5
631.27130	1.1
723.42474	0.9
725.36969	3.4
726.37640	0.3
851.46600	0.5
869.48877	10.3
870.49066	2.2
995.51740	0.6
1031.52588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71017	0.1
53.51647	0.1
58.06599	6.5
58.07768	0.1
58.46486	0.1
59.07382	1.9
60.08163	56.9
61.07851	0.2
61.08492	0.8
70.31039	0.4
80.75412	0.2
104.10741	100.0
105.10465	0.2
105.11082	2.1
105.30965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22066	0.1
58.06599	6.2
59.07380	2.0
60.08164	55.8
61.08502	0.6
64.17378	0.2
71.05965	0.3
74.52638	0.1
86.09704	0.3
88.31425	0.2
104.10743	100.0
105.11059	1.6
107.27863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5373
Annotation	Solanigroside H
Peak:m/z	Relative Intensity
73.02914	3.0
75.04477	3.9
79.05492	5.0
81.03408	3.5
81.07053	7.3
83.04983	14.4
83.08630	0.9
84.08144	1.5
85.02902	100.0
85.06544	7.4
86.03242	1.4
86.09694	1.3
87.04465	2.8
91.05476	8.3
92.46883	0.7
93.07033	6.6
95.04970	6.7
95.08598	5.6
97.02896	4.9
97.06539	1.2
97.10168	1.4
99.04465	3.2
103.03938	1.1
105.07034	9.4
107.08588	7.2
109.02905	2.1
109.06545	4.1
109.10155	10.0
111.04440	12.6
111.08105	0.7
113.06010	4.6
115.05412	1.1
117.05513	1.5
117.07021	3.3
119.04922	0.8
119.08582	4.9
121.06490	2.0
121.10140	10.9
123.08025	1.1
123.11710	0.9
125.09647	1.1
127.03900	5.8
128.06213	0.8
129.05481	34.1
129.06895	4.0
129.10240	1.2
129.64310	0.7
131.07036	0.9
131.08569	7.4
133.10133	12.2
135.08076	1.0
135.11694	2.5
136.07593	0.8
137.05945	0.8
138.09164	0.8
141.07001	1.8
142.07774	4.8
142.44176	0.6
143.08559	6.0
143.10681	3.0
144.09421	0.7
145.02832	0.7
145.04965	3.3
145.10114	9.8
147.04526	0.7
147.06514	15.3
147.11690	16.3
149.06003	0.8
149.09616	1.9
149.13263	2.1
153.05444	2.4
155.08568	2.5
157.10126	26.1
159.11674	12.8
161.13284	2.2
163.03871	1.0
163.06044	2.8
163.11281	0.7
169.10143	1.7
171.06494	1.3
171.11658	6.7
173.13281	3.2
175.03905	0.9
175.11203	1.8
177.05469	1.5
182.10992	0.9
183.06586	1.1
183.11690	2.5
184.12448	0.7
185.13266	2.8
187.14897	1.1
195.11507	0.8
197.13228	5.3
199.14816	1.6
201.07567	1.4
207.06586	1.9
209.13199	1.0
211.14838	3.4
212.15559	0.9
213.07539	1.4
213.16333	2.4
213.18652	0.5
219.34599	0.7
224.15657	1.4
225.16464	2.3
231.08766	1.1
237.07835	1.0
238.17200	1.1
239.09201	5.1
239.11453	1.1
251.17906	1.8
253.19518	57.6
254.19928	2.7
255.08716	2.8
255.21051	1.6
257.10233	2.8
271.20557	35.2
272.20853	2.5
273.09689	3.1
275.11163	3.5
283.24109	1.0
291.10925	1.1
293.12372	6.5
309.11862	4.4
355.26379	2.8
377.28278	1.8
395.29437	8.9
399.25552	0.8
413.30493	22.4
414.30835	1.6
417.26001	1.1
431.31537	21.1
432.32007	1.7
433.25864	1.2
488.90286	0.7
575.35577	2.7
579.31604	1.8
593.37103	3.1
663.37549	1.5
721.41809	5.8
725.37415	5.9
739.42981	3.9
809.42981	8.1
810.43646	1.5
867.47290	33.6
868.47534	3.8
885.48529	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	2.3
53.03947	17.5
60.04504	0.9
64.92812	1.6
65.03938	1.6
66.05308	0.8
71.29935	0.8
77.03919	3.6
79.05491	56.5
79.22461	0.8
80.05837	1.3
81.03410	1.5
91.05481	5.7
95.04972	15.9
96.04488	1.0
103.05471	31.6
104.05781	0.8
105.04514	8.4
105.07029	100.0
106.06550	8.8
106.07352	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02370	2.2
53.03947	16.9
55.01877	1.0
55.77468	0.6
65.03930	1.7
68.15308	0.6
68.49861	0.5
70.55354	1.3
75.80321	0.6
77.03933	2.4
79.05494	53.9
80.05824	1.4
81.03401	1.9
95.04970	17.8
96.04455	0.8
103.05470	35.7
104.05769	1.1
105.04532	7.9
105.07030	100.0
105.11060	1.8
106.06559	3.8
106.07361	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	0.8
51.02382	2.5
53.03948	11.9
54.04279	0.4
55.01870	0.6
60.04529	0.2
61.08497	0.3
61.72453	0.2
62.57526	0.2
65.03949	0.2
69.28082	0.2
70.07303	0.8
77.03928	4.5
78.04235	0.2
79.05493	61.6
80.05835	1.8
81.03420	1.7
95.04969	18.4
96.05325	0.6
103.05470	44.2
104.05769	1.7
105.04535	7.8
105.07029	100.0
105.11068	0.8
106.07352	4.5
111.33371	0.2
120.01088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02375	0.6
53.03717	0.2
53.03949	3.5
54.04278	0.4
54.78850	0.2
55.01853	0.2
60.04521	0.6
63.80721	0.2
64.92791	0.5
64.95567	0.2
65.03931	0.3
67.04251	0.4
69.16752	1.5
77.03932	0.7
78.03462	0.9
79.05493	21.1
80.05029	0.8
80.05820	1.3
81.03408	0.3
89.03918	0.4
91.05476	2.8
95.04974	3.6
96.04494	3.2
96.05170	0.3
96.05332	0.3
104.05822	1.0
105.04519	1.5
105.07024	0.9
106.06558	100.0
107.04956	2.0
107.06184	0.4
107.06877	3.2
107.08595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.06948	0.4
51.02378	1.4
51.30671	0.3
53.03949	13.5
55.01868	2.8
64.95560	0.6
65.03937	1.2
77.03912	1.5
78.04714	0.5
79.05492	13.5
80.05022	6.4
81.03409	1.8
91.05477	6.0
93.05782	3.0
95.04973	13.3
96.04485	1.6
105.04525	4.3
105.07023	1.9
106.06547	0.7
107.04953	100.0
107.08611	1.5
108.04478	6.4
108.05286	3.5
108.08120	8.4
108.08853	0.5
109.06497	0.6
121.84822	0.4
124.03992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02377	4.2
52.44321	0.8
53.03946	34.2
54.77517	0.8
55.01870	7.5
65.03939	3.5
69.21150	6.4
71.38650	0.8
76.22549	0.9
77.03922	7.0
79.05493	49.1
80.05016	6.9
80.05820	2.4
81.03416	4.5
91.05481	20.6
93.05779	0.9
95.04967	32.2
96.04515	2.3
105.04514	15.6
105.07021	4.4
106.06527	1.1
107.04952	100.0
107.08592	5.3
108.04469	5.9
108.05286	3.7
108.08115	4.8
109.06527	1.6
119.06103	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01591	0.3
51.02374	1.2
53.03946	7.3
54.04284	0.2
55.01877	0.9
64.95549	0.5
65.03932	0.7
66.04274	0.1
67.05501	0.2
68.01390	0.3
70.83406	0.1
73.60972	0.1
77.03911	1.2
79.05490	100.0
80.05019	5.3
80.05807	3.6
81.03407	0.8
91.04894	0.2
91.05478	5.2
93.05786	0.7
95.04965	8.8
96.04485	1.5
96.05288	0.3
105.04510	4.0
105.07021	1.4
106.06551	0.4
107.04951	6.2
107.06082	0.5
107.06770	0.2
107.08569	0.9
108.03798	0.3
108.04482	4.6
108.05220	0.3
108.08114	1.9
109.06502	0.5
117.36865	0.1
119.06051	0.4
124.03933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03950	11.7
55.01873	2.9
59.90965	0.3
63.52116	0.3
65.03930	1.1
67.05509	0.5
70.06425	0.3
70.15891	1.0
73.25934	0.3
75.62930	0.3
77.03941	2.0
78.04247	0.3
79.05495	13.3
80.05022	5.0
81.03426	1.8
85.67001	0.3
91.05489	4.6
93.05816	1.8
95.04361	0.6
95.04972	12.5
96.04503	1.3
96.05263	0.5
105.04517	6.1
105.07037	1.5
106.06532	0.6
107.04958	100.0
107.08588	1.4
108.04485	4.4
108.05293	3.4
108.08110	6.2
109.06551	0.6
124.03957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.24088	0.2
53.03944	1.6
55.01870	0.6
55.05510	0.4
63.02365	0.5
65.03942	14.5
66.04285	0.5
67.05505	3.7
79.05494	16.3
80.05012	0.8
80.05831	0.6
91.05481	100.0
92.05806	3.5
92.06277	3.0
93.05785	0.3
95.04966	1.7
97.97482	0.2
103.05473	0.8
105.04536	0.8
105.07032	25.3
106.04175	0.5
106.07342	1.1
107.04968	1.7
107.08595	17.5
108.04493	0.6
108.08109	1.0
108.08932	0.6
109.06522	8.7
110.06845	0.3
119.06071	6.4
120.06393	0.3
124.05171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.595
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05496	23.1
81.06593	2.4
81.07056	44.3
83.04991	2.2
83.08600	4.9
85.02904	28.3
87.08965	2.2
91.03952	20.7
91.05478	21.0
93.07037	31.5
93.42990	1.8
95.04968	2.5
95.08604	19.1
97.02893	17.9
97.06507	4.1
99.04438	2.3
102.05510	3.1
102.68063	1.8
103.48628	1.8
105.07034	6.9
107.08593	20.4
109.10149	8.2
111.08022	2.1
113.60208	1.7
117.06999	4.6
119.08594	4.4
121.10145	11.8
123.11701	5.2
127.03897	10.8
131.08549	7.6
133.10138	10.4
135.11687	9.3
145.04924	12.2
145.10048	2.4
147.11710	2.0
149.13252	10.1
159.11667	7.2
161.13269	2.1
163.06017	25.4
195.13757	9.2
240.15921	2.4
254.12793	2.2
261.22101	10.7
269.17444	9.4
273.37415	1.8
296.18564	46.1
335.25781	100.0
336.26059	5.4
450.58774	2.3
529.39050	10.8
556.32776	2.5
556.40002	23.8
557.39691	2.2
574.40955	20.3
575.41418	3.5
595.23950	2.3
776.61212	2.1
1077.51941	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	1077.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05500	38.2
81.03438	2.9
81.07060	67.0
83.08627	8.7
85.02906	41.0
91.03948	32.5
91.05482	26.1
93.07046	46.3
95.04967	6.4
95.08614	29.0
96.38510	2.5
97.02892	22.9
97.06512	2.8
99.04453	4.3
99.17849	2.2
102.05570	5.4
105.07035	9.5
106.66152	2.4
107.08586	24.3
109.10172	11.6
117.07015	10.2
119.08600	9.9
121.10139	16.3
123.11711	11.0
127.03913	9.5
131.08595	8.1
133.10115	14.0
135.11732	13.9
139.27161	2.5
145.04976	18.7
145.10175	6.5
147.11635	4.0
149.13274	19.0
150.59088	2.5
159.11725	8.8
163.06024	31.4
173.13333	2.6
177.12669	5.3
195.13773	13.6
204.13895	2.7
240.15918	4.6
261.22208	12.7
269.17386	13.6
296.18570	75.7
297.18967	3.5
335.25793	100.0
336.26096	4.3
361.57330	2.5
482.36557	3.1
529.38916	22.0
534.32922	2.9
544.48486	2.6
556.31793	3.7
556.39893	40.0
561.53992	2.6
574.40979	36.3
575.41302	4.6
798.24011	3.0
798.39252	3.0
842.06506	2.9
864.17407	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	110.0604
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
53.03943	0.5
54.04278	0.5
55.01865	1.0
55.05515	3.4
56.05036	0.9
56.96568	3.1
65.03942	33.1
66.04284	0.7
67.04249	2.6
67.05508	1.3
68.02636	0.9
68.05016	0.4
69.03418	0.5
69.04568	0.4
69.07058	0.8
71.28078	0.4
71.95284	0.3
80.05022	1.3
81.03414	0.7
81.05795	0.4
82.03756	0.8
82.05318	0.4
82.06580	7.6
82.07352	0.5
83.04988	3.2
83.06096	3.7
83.06886	0.3
91.05491	0.5
92.05007	74.8
93.03410	4.5
93.04538	2.2
93.05315	2.2
93.07072	0.4
94.02932	0.5
98.97605	0.8
110.06046	100.0
111.04443	14.4
111.05632	1.1
111.06386	3.8
111.08066	0.7
111.09220	0.3
112.04834	0.3
128.98586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1106.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05417	0.9
81.06942	4.7
83.08549	0.9
91.05405	0.8
93.06944	0.9
95.08483	3.4
97.10085	0.6
105.06976	0.7
107.08486	0.9
109.10031	1.4
112.30223	0.4
119.08482	0.8
121.10024	0.5
123.11573	0.7
130.25232	0.3
147.11517	0.5
148.55995	0.4
269.44489	0.4
306.27988	0.9
332.09106	0.4
337.27353	36.2
338.27628	2.0
342.91797	0.5
397.12927	1.3
398.13580	1.3
399.14603	0.9
400.15039	1.0
409.12936	0.6
410.13528	3.2
411.14432	5.1
412.15225	4.1
413.16141	2.3
423.14651	1.2
424.11060	1.4
424.15216	2.3
425.16223	10.4
426.16922	5.7
427.17706	2.0
428.18484	2.1
437.11755	1.0
437.16928	0.6
438.12054	3.0
438.17667	1.0
439.13199	10.3
440.13968	2.3
440.18344	3.8
441.19293	26.6
442.19635	3.7
443.18439	0.8
451.17886	0.8
452.14349	4.1
453.15295	14.9
454.15698	4.5
455.16730	1.2
456.17807	1.8
463.13843	1.0
464.14520	0.5
466.17242	0.6
467.17169	25.1
468.17816	15.3
469.18768	12.2
470.19095	1.6
471.17496	0.7
472.17273	0.5
477.15634	0.6
478.16006	0.6
479.16675	0.5
480.13977	0.6
481.14780	15.8
482.15179	5.0
483.16000	1.1
484.21738	0.9
485.17987	0.6
485.22702	0.7
495.16422	12.2
496.17050	27.0
497.17535	5.7
498.18759	0.8
499.15399	0.8
500.20792	2.5
509.18030	1.0
510.19235	0.7
512.20850	3.6
513.21838	4.9
514.22040	0.7
523.19604	1.8
525.21143	0.5
527.19177	0.6
528.19806	1.6
531.22546	0.5
537.18805	1.1
538.18024	0.5
540.18481	0.4
541.20819	20.1
542.21332	3.2
553.20624	1.4
554.17761	1.4
555.18475	0.6
568.19208	1.1
569.20300	100.0
570.20587	16.4
571.20264	1.1
572.19855	0.8
573.23303	0.7
585.19623	0.8
586.19342	0.6
589.21106	0.5
596.18890	1.3
597.19781	31.7
598.20038	4.6
600.21399	0.7
601.22937	4.2
602.23877	0.6
615.21069	1.4
628.21582	16.5
629.22198	84.6
630.22296	10.0
631.22449	0.8
632.22601	0.6
688.37201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03944	4.2
55.01873	7.5
55.05510	22.3
56.05013	0.6
56.05825	0.5
57.03414	1.3
65.03924	1.2
67.05502	2.8
68.05016	1.7
69.03429	7.5
69.04556	0.7
69.07057	1.6
70.06577	2.2
70.95845	1.4
71.04986	0.6
71.15324	0.5
71.15688	0.9
79.05509	0.7
81.07047	1.9
82.05312	0.7
83.04974	4.8
83.06097	2.8
83.08621	6.2
84.04485	0.7
84.08153	3.5
88.96906	0.6
91.05476	12.4
93.03405	0.6
93.07037	20.5
94.06629	0.7
94.07369	0.8
95.02464	0.7
95.04996	4.8
95.06087	14.8
96.05777	0.6
105.04527	2.5
111.04445	10.9
111.05598	3.9
111.06429	2.0
111.08075	100.0
112.03938	2.8
112.05076	1.7
112.07601	3.6
112.08479	3.4
112.11236	2.9
119.61165	0.5
119.91346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05027	10.3
81.03398	17.2
84.08133	8.2
85.02896	9.6
86.09721	7.1
88.87041	7.1
91.05467	23.9
93.07060	8.5
94.06576	25.3
95.04942	9.6
95.07301	7.3
96.08144	23.3
97.02875	7.6
105.04572	6.7
107.07332	12.4
108.04476	7.1
108.08114	43.2
109.02879	12.3
110.09679	28.0
119.04930	16.2
120.08108	38.2
122.06039	25.9
122.09649	19.6
127.03928	7.9
134.06023	15.6
136.07574	25.4
138.09140	48.3
145.02911	6.3
147.04387	31.5
148.07582	21.0
150.09146	10.9
160.03934	22.5
163.03902	12.8
166.08643	55.4
177.05492	8.3
207.06595	19.7
211.08556	8.6
211.12218	8.5
212.09419	7.3
213.10179	11.3
223.08635	11.9
223.12274	6.8
225.10220	45.1
226.10953	12.9
227.11838	22.2
236.09424	11.8
237.10263	36.3
238.11014	17.5
239.08109	12.8
239.11758	74.9
240.12352	11.3
241.13333	15.4
244.09709	8.2
249.10222	22.2
250.11032	25.3
251.08130	14.5
251.11803	83.1
252.08871	7.5
252.12572	12.8
253.09671	29.8
253.13350	50.5
254.10550	20.1
262.10733	7.2
263.11823	56.4
264.09183	8.6
264.12451	14.8
265.09863	26.2
265.13373	78.4
266.10468	15.3
266.13879	7.8
267.11307	42.0
267.14697	8.2
268.12061	8.5
269.09210	6.9
269.12280	7.8
271.10867	11.3
277.09729	9.0
278.10406	16.0
279.11304	47.0
280.11774	12.9
281.12784	63.8
283.10663	21.6
285.12262	25.4
291.11282	22.8
293.12854	40.9
294.13474	6.9
295.10718	6.4
295.14200	9.2
296.11646	7.3
297.12332	15.7
298.13034	10.5
299.13919	17.6
307.10916	9.8
307.14709	7.7
309.12296	76.0
311.13870	49.2
313.15378	12.5
319.10785	10.1
321.12228	12.9
325.11893	10.5
327.13406	28.8
328.13818	6.7
337.11771	8.3
339.13361	17.6
341.14978	57.4
351.13480	10.2
353.14822	12.7
369.14441	46.0
370.15253	8.3
371.16101	30.7
372.16824	12.5
383.16263	8.3
393.14352	9.6
411.15579	17.0
413.17004	13.8
414.17831	14.5
416.19547	8.0
425.17157	21.3
429.16690	22.6
430.17642	9.3
432.19205	12.4
435.15393	24.8
441.16330	10.1
442.17584	11.0
443.18015	20.2
453.16452	45.1
455.18182	11.5
465.16461	9.5
467.17996	11.1
471.17685	32.0
472.17764	9.5
474.20047	14.4
481.15829	9.4
483.17694	13.0
485.19498	7.7
492.21118	27.1
497.18948	11.0
503.19846	10.3
513.18280	29.5
515.20117	27.9
534.22296	17.0
586.21808	16.9
588.23291	65.0
589.23578	6.9
592.22791	20.0
594.24200	25.1
595.24774	9.2
600.23163	48.6
601.23505	7.7
604.22546	23.2
606.24426	54.1
618.24390	50.3
619.23889	6.8
624.25482	86.9
625.25128	9.9
636.25549	100.0
637.26160	17.4
664.24390	15.8
693.28864	8.8
707.30994	39.7
714.25757	7.6
721.28754	32.0
725.31763	64.7
726.31427	12.6
730.25629	9.4
739.29175	18.8
743.32434	23.7
750.28772	16.1
753.31354	78.3
754.31097	14.5
757.29431	9.9
761.33875	8.1
762.27844	33.0
771.31769	33.4
789.32593	22.0
798.30200	10.9
833.33087	11.6
869.34198	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	1115.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03372	10.2
84.08147	12.3
91.05459	24.6
93.07050	11.5
94.06555	20.3
96.08121	14.5
100.59740	9.7
107.18430	10.2
108.08109	44.6
110.09673	39.2
119.04963	28.6
120.08112	40.0
122.06033	18.5
122.09679	19.6
127.92329	9.8
136.07550	21.9
138.09120	55.8
144.75249	10.3
147.04404	36.6
150.09100	18.2
160.03905	19.9
163.03847	12.5
166.08656	53.5
177.05432	20.5
178.08748	12.0
184.72374	9.7
207.06497	19.2
207.80258	11.0
211.08618	13.9
211.12285	13.7
223.12309	11.3
225.10242	42.9
226.10864	16.9
227.11743	13.9
235.08571	15.6
237.10146	23.5
237.13805	11.9
238.10951	17.1
239.11720	67.9
240.12555	12.0
245.99704	11.2
249.10388	12.0
250.10928	17.8
251.11800	82.9
252.12622	20.1
253.09750	27.6
253.13335	51.1
254.10478	18.0
255.07819	12.4
263.11777	28.1
264.12442	15.4
265.09796	20.6
265.13354	67.0
266.10370	19.3
266.14041	11.1
267.11264	45.3
277.09952	13.9
278.10211	12.2
279.11261	41.0
281.12759	58.5
283.10782	22.9
285.12299	24.6
291.11215	19.2
293.12784	31.3
297.12228	15.0
299.13849	23.2
309.12326	100.0
310.12692	17.8
311.13818	37.6
321.12225	11.9
325.11716	21.7
327.13339	68.3
328.13574	11.8
337.12216	12.4
339.13229	11.0
341.14911	44.1
353.14996	21.0
369.14246	51.1
371.15982	33.5
407.16071	16.6
411.15417	13.8
414.17926	10.9
429.16257	15.1
432.18854	15.9
435.15692	21.8
448.18494	14.4
453.16525	34.4
455.17831	14.8
460.18640	25.4
470.01035	10.5
471.17542	26.3
474.19968	18.6
480.21835	14.2
483.17361	12.7
485.18967	10.6
492.21396	78.4
493.21524	12.2
513.18231	15.0
515.20251	27.0
534.22009	16.2
556.20300	14.0
586.20917	21.9
588.22986	55.1
592.22632	17.4
594.23761	22.5
600.23260	43.9
604.23431	14.9
606.24072	35.4
613.26343	27.3
618.23877	29.6
624.25360	64.2
625.25659	11.6
636.25598	87.4
664.24994	12.5
693.29736	12.0
707.30396	28.4
721.28400	27.5
725.31830	55.9
730.25842	12.5
739.29578	13.5
753.31299	52.7
771.31329	19.2
789.31818	12.5
1115.48279	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	1116.6681
Annotation	Unknow
Peak:m/z	Relative Intensity
78.66801	2.1
79.05492	54.4
81.03432	5.8
81.07053	78.3
83.08620	12.3
85.02905	70.7
86.03275	2.5
91.03956	51.2
91.05479	41.0
92.04279	2.0
93.07040	60.9
95.04984	8.5
95.08603	59.7
97.02898	44.0
97.06535	2.4
97.10187	2.8
99.04430	4.3
105.04511	3.8
105.07039	28.3
107.08585	31.9
109.02870	2.5
109.10153	24.5
111.08086	3.3
115.03920	3.2
117.07025	10.7
119.08566	23.4
121.10149	27.3
123.11706	7.7
127.03912	26.0
129.07014	4.0
131.08559	18.3
133.10112	16.9
135.11661	15.9
137.13254	2.9
138.51390	2.2
143.08574	4.2
145.04935	29.5
145.10115	16.9
147.11713	15.0
149.13283	10.4
157.10100	3.0
159.11714	13.0
161.13243	9.4
163.06013	57.2
163.14789	4.7
169.67453	2.2
171.11719	4.5
173.13289	8.4
175.14799	4.3
177.16351	4.1
185.13196	2.8
187.14847	5.2
189.16301	2.6
199.14801	4.5
201.16415	2.6
204.32373	2.4
241.19539	5.3
243.21083	8.1
259.20410	10.4
261.22180	22.8
317.24789	3.6
324.34412	2.5
333.24258	8.4
335.25781	100.0
336.26166	6.1
337.27487	12.7
521.43713	3.5
595.47321	15.4
613.47974	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	8.1
81.03422	17.1
81.07076	5.7
84.08130	6.2
85.02903	13.1
86.09717	7.2
89.03909	11.7
91.05471	22.7
93.07035	17.0
94.06558	19.5
95.07359	10.0
96.08145	18.4
97.02873	10.0
98.88866	4.6
103.05470	7.1
108.08102	47.3
109.02864	8.5
110.06038	6.2
110.09686	47.1
117.03409	7.8
119.04931	18.0
120.06855	4.9
120.08115	43.7
122.06036	19.3
122.09666	14.8
124.07590	7.2
127.03933	13.1
128.10686	6.3
134.05992	9.9
135.04430	13.7
136.07582	34.1
138.09143	66.0
145.02847	17.2
146.06018	5.8
147.04408	39.3
148.07555	24.2
150.09134	19.0
152.07104	9.3
160.03946	17.3
162.09158	6.1
163.03888	76.8
164.04214	5.4
166.08662	42.8
168.77132	5.5
172.03952	6.6
174.09125	6.1
177.05463	15.0
182.64920	4.9
210.11537	7.6
211.08621	16.3
211.12299	9.0
213.10330	6.8
221.10715	5.8
221.58075	6.2
223.08583	9.1
223.12315	11.6
225.10182	46.3
225.13788	7.7
226.10927	17.9
227.11781	14.6
229.13194	6.2
235.08652	7.2
235.12344	5.9
237.10214	30.4
237.13956	6.6
238.11020	14.3
239.08147	15.7
239.11783	62.4
240.12514	14.3
241.13283	9.9
245.13281	6.4
246.11255	7.2
248.09303	5.4
249.10204	30.4
250.11000	25.6
250.90384	6.4
251.08252	15.0
251.11783	83.9
252.12465	21.9
253.09688	30.2
253.13399	44.0
254.10565	18.9
255.11258	7.1
259.60269	5.3
261.10428	6.2
263.11798	59.6
264.12402	15.8
265.09808	23.8
265.13385	75.8
266.10486	22.8
266.13965	6.2
267.11255	52.5
268.11868	7.0
268.16074	4.9
269.12747	12.3
271.10684	7.5
277.09705	6.7
277.13208	5.7
278.10413	15.0
279.11200	40.8
280.12006	8.7
281.12857	49.9
282.13416	8.1
283.10742	14.5
285.12329	30.0
291.11325	25.1
292.11902	10.1
293.12772	36.3
294.13495	7.5
295.10861	6.0
295.14252	11.9
296.11530	6.0
297.12335	26.3
298.12878	9.1
299.14017	34.3
302.12924	5.3
307.10913	8.7
309.12344	63.4
310.12869	8.9
311.13898	50.8
312.14389	6.1
313.15448	9.9
319.10788	13.7
321.12192	11.8
323.10370	8.8
323.13770	8.2
325.08905	8.0
325.12149	6.9
326.12637	9.6
327.13394	48.8
328.14301	7.4
335.13910	6.2
337.11810	17.3
338.12149	6.6
339.13367	24.3
341.14993	53.9
347.14224	6.0
351.13434	10.3
353.15015	16.2
355.12714	9.1
355.16788	7.0
356.14047	7.1
357.14572	9.0
358.15457	10.0
359.16333	6.7
361.11206	7.1
369.14352	45.8
370.15048	11.7
371.16113	38.4
372.16846	9.2
383.15799	6.6
399.15616	8.5
403.18631	5.6
407.16132	9.9
411.15512	19.4
412.16232	5.5
413.17029	8.6
420.19409	6.8
425.17145	14.0
429.16397	21.6
430.17145	8.3
432.19092	7.5
435.15555	13.7
437.17474	6.8
439.14410	6.0
441.16287	8.0
443.17966	22.7
444.18405	6.3
453.16626	30.4
454.16974	8.9
455.18259	13.8
460.18674	8.2
460.58643	5.8
462.19931	6.7
463.14728	7.5
465.16776	8.2
471.17462	49.2
472.18356	9.0
473.19211	13.8
481.16098	9.5
490.19394	8.3
492.21371	23.4
496.20746	15.8
497.19302	8.7
503.20218	14.3
508.20734	20.3
513.18427	38.1
515.20264	39.9
534.21863	9.7
572.20459	6.0
574.22290	7.7
588.23145	20.1
592.22748	10.9
594.24396	36.7
595.24768	7.0
600.23059	18.5
604.22827	24.4
606.24609	25.5
611.25116	5.7
616.23096	8.2
618.24420	45.4
622.23761	16.1
624.25568	42.0
625.25629	9.7
627.28333	6.4
629.26190	7.7
632.25842	8.2
634.23883	12.6
636.25427	100.0
637.25391	12.9
640.24896	19.6
641.23901	6.6
642.25952	10.1
650.26440	6.0
652.24609	19.5
654.26477	15.2
661.28387	6.8
664.24744	12.9
667.27411	6.4
693.29114	7.2
707.30591	29.4
709.28149	8.9
721.28314	10.3
723.29633	15.5
725.31744	62.9
726.31537	6.9
727.29224	5.8
735.30475	9.9
739.29193	7.5
741.30682	17.7
743.31659	19.4
753.30981	27.9
755.28937	9.6
756.28992	7.3
759.31769	9.0
761.33978	5.2
769.30090	17.8
771.32080	25.1
773.29297	6.6
786.28479	5.8
787.31024	8.3
788.30591	6.5
789.32263	12.5
798.29779	14.6
805.32349	9.3
807.32025	6.7
814.30676	6.2
883.35718	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	1131.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	3.1
80.05005	2.0
81.03398	6.3
81.05792	1.5
82.06579	2.0
83.05009	1.4
84.04474	1.8
84.08130	3.7
85.02903	1.9
86.09692	3.7
89.03890	6.9
91.05476	5.4
93.05769	2.0
93.07035	4.5
94.06561	12.1
95.04954	2.1
95.07346	4.9
96.08125	8.8
97.02927	2.4
98.06045	1.0
103.05410	1.3
105.04506	1.0
105.07030	2.0
106.06546	2.6
107.04937	1.8
107.07301	2.5
108.04456	4.1
108.08115	17.5
109.02863	3.6
110.06048	2.4
110.09673	16.6
117.03349	3.5
119.04945	2.0
120.08111	14.4
122.06022	10.9
122.09666	5.8
124.07602	1.6
127.03904	2.2
129.10237	1.5
130.06476	1.4
132.04410	3.2
134.06009	2.8
134.09616	1.7
135.04405	9.2
136.07571	14.9
138.09137	29.6
143.07109	1.1
145.02824	7.3
146.05989	1.6
146.09607	1.2
147.04376	1.9
148.07536	6.1
150.09160	8.0
152.07068	3.5
158.09515	1.4
160.03940	9.1
160.07582	3.0
163.03906	31.8
164.04228	1.3
164.07043	3.8
166.08630	27.9
167.08878	1.5
172.03979	1.9
172.17636	1.0
174.09132	2.5
177.05449	1.5
178.04945	2.6
180.06589	1.2
180.10361	1.4
190.04982	1.9
192.06566	1.4
192.10193	1.1
197.10793	1.8
199.08690	2.5
199.12236	1.5
202.04944	1.5
204.06555	2.2
211.08678	5.4
211.12303	4.4
212.09312	1.4
213.10184	4.4
221.10661	1.2
222.11475	1.5
223.08656	6.4
223.12256	3.9
224.09195	1.7
224.12964	1.1
225.10222	23.4
225.13832	2.8
226.10899	8.3
227.11800	7.2
228.46559	1.1
232.09789	1.5
235.08575	5.2
235.12280	2.9
236.09460	4.6
236.13040	1.8
237.10214	13.0
237.13841	3.6
238.10844	9.5
239.08144	8.7
239.11754	30.6
240.12387	7.7
241.09766	2.6
241.13271	2.8
244.09674	1.5
246.11290	2.2
247.12440	1.3
248.09518	4.7
248.13058	1.2
249.10196	11.0
249.15915	1.3
250.10951	11.5
251.08162	7.5
251.11783	36.8
252.08810	3.0
252.12454	7.6
253.09720	13.0
253.13341	18.3
254.10492	13.6
254.13936	3.6
255.11185	3.6
255.14923	1.3
257.12717	1.4
261.10150	1.8
262.11026	1.8
263.11761	23.8
264.08911	2.1
264.12476	9.3
265.09738	12.7
265.13339	36.0
266.10437	7.3
266.13931	4.5
267.11246	19.2
267.14877	3.4
268.11868	2.5
269.12738	2.7
271.10703	4.2
271.13605	1.0
275.11835	1.7
277.09683	4.9
277.13144	2.2
278.10519	4.6
279.11264	18.0
280.11792	2.4
281.09634	1.6
281.12808	26.7
282.10144	1.2
282.13403	4.9
283.10721	7.4
283.14325	6.1
284.11456	4.1
285.12277	15.6
286.12964	3.9
291.11285	7.2
291.14124	1.4
292.11914	2.8
293.09390	1.7
293.12808	14.2
294.10349	1.9
294.13498	4.5
295.10678	4.4
295.14273	5.5
296.11545	6.7
297.12350	13.0
298.12973	4.1
299.13879	20.9
300.14468	2.2
307.10822	2.4
308.11633	1.3
309.12311	76.8
310.12799	7.9
311.10678	1.4
311.13882	31.3
312.14444	3.6
313.11844	2.8
313.15256	2.3
319.10681	4.7
320.11111	1.4
321.12393	9.5
323.13818	3.3
324.11099	1.8
324.14563	1.4
325.12143	5.6
325.15305	2.0
326.12650	2.9
327.13361	71.9
328.13788	3.2
337.11887	14.4
338.12515	6.8
339.13425	18.1
340.14001	3.0
341.14917	17.0
342.15793	1.8
344.13965	2.5
351.13336	4.3
353.15054	7.4
355.12729	1.4
356.13739	1.6
357.14441	6.5
358.15118	3.0
359.16147	6.4
369.14441	41.2
370.15170	5.5
371.11472	2.2
371.16031	40.3
372.16660	3.5
381.14148	1.2
383.16019	1.9
384.17007	1.6
386.18539	2.0
395.15463	1.3
401.17145	1.8
404.19580	3.1
407.16132	1.9
411.15500	5.9
412.16330	1.7
413.17093	4.9
414.17883	3.4
416.19705	5.3
420.19269	1.5
423.15231	1.4
425.17010	3.3
429.16489	5.5
430.17459	4.3
432.19177	11.7
433.19321	1.9
435.15317	6.2
437.16983	2.7
441.16547	2.0
442.17407	2.9
443.18073	5.9
444.18619	1.2
448.18640	15.6
449.18414	1.4
453.16525	11.6
454.16562	1.7
455.17816	3.0
456.19064	1.4
460.18582	33.0
461.18927	3.0
463.14246	1.9
465.16321	3.3
467.17935	3.3
471.17569	14.4
472.18167	2.6
473.18970	3.1
474.20096	4.2
480.14551	2.0
480.21283	37.6
481.15417	1.8
481.21655	2.0
482.16312	1.3
483.17642	3.5
485.18903	2.8
490.19611	1.5
492.21277	100.0
493.21848	6.9
495.17233	1.7
497.18845	3.8
498.19510	1.5
503.19995	2.2
506.22351	1.6
513.18445	5.9
514.19232	1.4
515.20276	7.6
516.20447	1.4
522.21893	3.6
524.23669	2.0
533.21075	2.0
534.21857	3.2
542.22589	1.4
546.21820	1.3
556.20380	3.4
558.22668	1.6
562.21295	2.7
574.21759	4.0
586.21442	4.7
588.23523	11.9
592.22174	3.3
594.24280	11.8
595.25195	6.4
600.23535	8.2
602.24048	1.7
602.33691	1.3
604.22559	5.1
606.24323	12.9
610.23883	2.8
613.26453	44.8
614.27167	6.0
618.24390	20.0
619.24390	1.4
622.23743	3.2
624.25421	22.5
625.25452	1.3
627.27802	3.4
632.25653	2.4
634.24023	1.5
636.25415	23.2
637.25592	3.0
642.25977	2.9
645.29071	20.4
646.29114	3.4
654.26331	12.5
655.26306	1.8
656.96393	1.3
664.24438	3.9
675.27765	1.5
682.24713	1.8
693.28796	1.9
703.26465	1.4
707.31104	7.8
708.30933	1.6
721.28931	5.6
725.31726	14.2
726.31683	1.7
739.29364	4.8
741.30493	2.1
743.32477	5.6
750.28156	3.2
751.28717	1.8
753.31226	14.2
754.30438	3.2
757.29578	3.6
759.32800	1.4
761.33527	1.8
762.27478	4.9
771.32281	6.0
775.30975	3.5
789.32996	6.1
798.29291	1.7
805.30530	1.3
807.33575	1.6
816.29071	4.5
851.34064	1.2
994.01447	9.0
994.50751	2.0
1049.39172	1.3
1132.08105	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	1145.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05517	9.9
81.03417	12.5
84.96080	4.1
85.02891	12.2
86.09723	4.4
89.03919	16.5
91.05471	12.6
92.69195	3.7
93.07052	8.8
94.06546	19.7
95.07354	5.8
96.08131	11.9
97.02903	9.0
98.97601	20.1
105.06999	4.3
107.07368	4.8
108.08112	29.9
109.02894	11.2
110.06043	7.0
110.09667	26.3
116.98584	6.9
117.03394	20.7
120.08092	23.2
122.06060	13.4
122.09641	7.0
124.07569	4.3
127.03918	10.3
128.98593	8.5
131.00195	6.0
134.06078	4.4
135.04367	4.6
136.07549	19.7
138.09145	37.6
139.54474	3.8
144.04601	4.3
145.02837	43.3
146.05995	5.8
147.04398	6.3
148.07564	13.3
149.05948	6.8
150.09125	12.0
152.07016	7.6
160.03911	12.1
161.01198	4.3
163.03905	7.5
164.07024	7.0
166.08658	35.0
172.03920	3.9
174.09048	5.2
175.03961	3.6
177.05467	50.5
190.05026	6.1
211.08711	6.0
211.12323	7.7
212.09532	4.8
213.10231	7.2
219.01730	6.7
223.08705	6.6
223.12271	8.2
225.10170	28.7
225.13878	4.9
226.11012	12.7
227.11749	14.6
235.08684	6.3
236.09535	7.1
237.02785	14.7
237.10286	18.7
237.13869	10.7
238.10948	11.7
239.08122	14.4
239.11757	46.7
240.12390	15.9
241.13327	7.9
248.09294	9.2
249.10150	8.7
250.10950	17.2
251.08260	4.3
251.08922	4.6
251.11777	50.7
252.12602	11.8
253.09726	16.7
253.13362	30.9
254.10492	11.0
254.14063	4.6
255.11375	4.6
263.11774	29.5
264.12433	9.0
265.09763	19.2
265.13336	42.1
266.10440	11.4
266.13992	8.3
267.11191	23.7
267.14664	5.0
268.11703	4.9
271.10989	7.1
277.09723	4.3
277.13318	6.6
278.10535	6.4
279.11316	26.8
279.14075	5.6
281.12845	32.8
282.13187	5.7
283.10855	10.2
284.11368	4.2
285.12173	23.6
286.12976	6.4
291.11304	10.9
293.12701	25.8
295.10864	7.6
295.14331	5.5
296.11664	7.4
297.12347	15.6
299.13849	23.2
309.12344	60.6
310.12906	6.5
311.13809	36.4
313.15472	5.0
321.12341	6.1
323.13788	5.0
325.11652	6.0
327.13379	49.9
328.13599	8.7
334.31012	9.7
335.31635	5.3
337.11893	9.6
339.13712	8.2
341.15030	22.3
352.32056	8.4
353.14822	7.1
357.14560	6.8
359.15842	18.3
369.14493	47.9
370.14984	13.0
371.15936	45.2
372.16687	7.1
409.17023	4.6
411.15567	5.9
413.17053	8.8
414.17850	7.7
429.16681	6.4
435.15479	17.0
437.16849	5.8
443.17865	11.0
444.19376	5.2
448.18307	9.3
453.16757	20.5
455.17770	5.9
460.18140	6.0
463.75275	5.0
467.18390	5.9
471.17569	21.6
480.21378	32.7
483.17487	6.5
492.21365	100.0
493.21783	7.9
513.18854	19.2
515.19855	17.3
522.22192	5.8
534.22180	7.3
574.21399	6.1
586.21204	8.3
588.23584	21.2
592.22803	6.0
594.24408	9.5
600.23224	11.6
604.23755	6.4
606.24530	21.4
613.25928	6.7
618.24341	36.4
624.25562	24.1
627.27942	9.2
636.25311	38.8
642.25781	9.3
645.29510	21.3
649.32587	9.6
654.26660	20.7
655.26385	7.2
664.25305	6.1
693.28284	4.9
707.30499	9.5
721.28815	6.7
725.31366	27.2
739.29816	7.3
743.32031	5.3
750.27539	6.1
753.31506	21.4
771.31799	9.5
789.32709	9.4
793.35767	5.5
820.46027	7.3
821.32312	4.9
821.46509	15.2
887.60010	4.7
939.42310	29.1
940.42224	4.3
1085.48413	41.5
1086.47815	6.5
1094.60999	4.8
1145.55823	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	1147.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05020	9.9
81.03426	18.1
84.08159	12.7
84.69347	5.4
85.02904	13.1
86.09711	15.4
89.03936	21.5
91.05492	18.5
93.07053	14.1
94.06574	19.5
95.07325	10.3
96.08114	29.4
97.02920	7.5
106.06543	13.8
107.07354	17.4
108.08116	56.8
109.02872	14.5
110.06058	17.8
110.09684	45.2
117.03388	11.8
120.08096	49.4
122.06043	20.6
122.09653	37.6
123.00983	7.0
127.03880	8.9
129.10236	8.0
129.92857	6.4
131.78270	5.9
134.06013	11.0
134.09677	5.9
135.04456	25.0
136.07584	36.9
136.11282	5.8
138.05476	6.2
138.09137	89.1
145.02885	16.3
146.05994	7.4
147.04401	11.3
148.07565	17.0
150.09103	14.6
152.07014	16.1
158.09750	7.6
160.03938	16.5
163.03918	69.9
164.07056	16.5
166.08646	54.9
172.03909	10.0
177.05457	9.3
178.08594	7.5
197.10767	7.0
204.06541	7.2
207.06628	6.8
211.08675	9.2
211.12256	8.5
213.06670	9.6
213.08543	7.7
213.10324	10.7
223.08717	17.2
223.12357	9.1
225.10262	43.9
225.13861	9.0
226.10814	11.7
227.11885	21.1
230.11769	9.3
235.08693	16.1
237.10236	49.7
237.13777	11.6
238.11029	26.7
239.08163	14.9
239.11829	64.5
240.12474	20.3
241.09790	9.2
241.13213	11.1
246.11343	8.4
248.09444	10.8
249.10277	33.1
250.11154	27.7
251.08192	14.5
251.11804	70.6
252.08850	11.1
252.12398	18.0
253.09787	36.3
253.13339	42.4
254.10445	20.7
255.11296	15.1
263.09317	6.0
263.11847	52.1
264.12482	20.6
265.09787	26.8
265.13382	67.0
266.10580	11.1
267.08362	7.9
267.11316	48.4
268.12036	12.0
271.10855	9.5
275.11694	9.6
277.09735	14.7
277.13242	6.0
278.10483	14.6
279.11279	33.3
280.11908	10.0
281.12784	61.2
282.13379	8.1
283.10776	19.3
285.12274	30.3
291.11252	19.5
292.12045	8.7
293.12827	43.3
295.10840	15.2
295.14288	13.5
296.11563	11.1
297.12280	32.8
299.13904	35.7
307.10941	7.9
309.12332	100.0
310.13034	12.1
311.13779	56.6
313.11722	17.4
313.15356	7.1
319.10675	14.9
321.12326	16.8
323.13715	7.8
325.11844	16.5
327.13306	87.0
328.14410	8.5
330.16153	8.5
337.11786	32.7
339.13458	25.5
341.14960	33.0
342.15964	9.7
351.13351	12.9
353.14832	10.4
355.12787	12.1
356.14056	10.0
357.14429	14.6
358.15616	8.1
369.14471	80.7
370.15390	9.5
371.12289	6.0
371.16208	43.6
373.13931	9.9
383.16309	7.5
384.17355	7.4
386.14761	7.2
411.15335	8.1
413.17191	10.1
416.16180	8.5
420.19217	10.1
425.17300	9.3
429.16537	14.9
432.19708	8.9
435.15445	19.6
441.16467	8.3
443.18185	16.4
446.16626	8.9
453.16528	34.6
455.17865	12.8
458.17044	9.1
464.18015	19.0
471.17590	26.1
473.19339	7.1
476.18097	24.3
481.15982	15.4
483.17569	8.7
490.19687	21.0
492.21191	34.3
496.20834	45.9
508.20645	88.7
513.18689	19.8
514.19189	8.8
515.20129	27.0
533.21106	8.1
536.19983	9.9
540.23499	6.5
556.20422	7.8
574.21674	7.1
584.20483	8.8
586.21527	8.4
590.21552	7.8
592.22839	7.3
599.26575	11.8
600.23590	9.8
602.21185	10.3
604.22687	40.1
608.21680	9.4
610.23468	12.2
611.24524	15.0
616.22675	25.1
618.24658	16.0
620.22522	10.5
622.23621	26.7
627.09912	6.6
629.26416	40.9
634.23651	38.0
636.24829	10.4
638.24310	8.7
640.24841	41.2
641.25397	8.4
643.27466	11.8
652.24927	60.4
654.26465	9.8
656.23676	8.0
661.28107	35.3
670.25214	13.5
680.23969	12.3
691.27228	9.6
698.24707	17.1
709.28619	12.9
723.30280	36.2
727.30072	9.5
737.27869	11.6
741.31366	28.3
755.29999	14.2
757.30212	8.5
759.31738	15.9
769.30023	23.1
778.28186	9.0
787.31128	19.0
805.32074	17.7
814.28046	9.3
823.33569	11.3
832.27942	8.1
913.33728	7.5
998.41565	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	1149.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	5.3
84.04544	2.4
84.08138	4.2
85.02956	3.0
89.03925	3.1
91.05484	4.9
93.07071	5.2
94.06575	7.1
95.07341	3.9
96.08147	7.5
97.02910	3.7
108.04533	3.7
108.08131	16.9
109.02899	4.3
110.06059	10.3
110.09678	11.4
117.03391	4.4
120.04446	2.4
120.08112	16.1
122.06059	5.7
122.09676	4.5
124.07607	5.3
127.03928	6.0
127.99723	2.4
134.05951	3.3
136.07576	11.4
138.09123	21.6
138.10023	3.1
143.62816	2.7
145.02864	4.3
148.07658	5.7
150.05455	2.7
150.09111	4.4
160.03966	7.1
163.03917	12.0
166.08643	21.6
172.03941	3.1
177.05511	5.1
204.06674	3.7
211.08742	3.5
211.12262	3.0
213.10297	3.4
223.12416	3.2
225.10168	15.1
226.10995	11.0
227.11787	3.9
235.08598	3.6
236.09474	2.6
237.10190	15.4
237.13759	3.6
238.10954	8.4
239.08261	6.1
239.11786	22.6
240.12503	6.2
241.13411	4.8
249.10291	9.9
250.10962	7.8
251.11778	32.9
252.08818	3.8
252.12561	8.8
253.09811	10.2
253.13301	17.4
254.10522	8.1
255.11249	4.6
263.11847	23.0
264.12463	7.8
265.09787	6.4
265.13379	28.0
266.10547	6.8
266.14053	5.6
267.11270	22.1
267.14105	2.8
275.11728	4.2
277.09464	4.2
278.10510	5.1
279.11322	19.6
280.12027	6.9
281.12900	25.0
285.12405	8.2
291.11304	12.9
293.12851	16.1
294.13541	3.0
295.10910	5.8
295.14355	5.8
296.11551	4.6
297.12180	12.7
298.13132	3.9
299.13965	13.4
307.10791	5.3
309.12396	28.7
310.12820	4.6
311.10696	5.3
311.13754	19.8
312.14386	3.7
313.11557	2.7
319.10693	5.8
321.12387	7.2
325.11945	6.3
327.13358	14.4
337.11749	6.6
339.13477	6.0
341.14960	8.7
351.13077	3.6
353.15005	8.3
357.14536	5.8
359.15915	3.5
369.14426	20.2
371.15970	8.9
383.16165	3.3
407.16022	5.2
411.15646	6.3
413.16678	4.3
417.14386	7.7
429.16400	5.6
433.13495	4.2
435.15295	13.0
443.18179	9.6
445.13947	4.4
448.18515	6.8
453.16394	13.0
455.18475	4.9
460.18918	4.1
463.15134	3.2
465.16992	3.6
467.17935	7.3
471.17725	22.0
481.15915	7.1
483.17960	4.7
495.17523	4.6
497.18530	2.9
503.20135	3.1
513.19037	19.0
514.19556	3.1
515.20441	14.1
574.21631	11.6
586.21637	7.6
606.24481	53.3
607.24066	4.2
610.23596	12.0
612.25220	8.2
618.24457	100.0
619.24792	12.9
622.23816	12.3
624.25555	7.9
634.24011	4.2
636.25110	10.5
642.26501	37.3
643.27362	3.7
654.26581	66.9
655.26630	8.8
670.25208	3.9
672.27649	3.2
682.25830	6.2
705.32056	3.7
721.28290	3.4
725.31024	8.2
739.29053	11.6
743.32495	12.5
753.30676	5.3
755.29175	4.7
757.30444	4.8
761.33276	4.7
768.29279	4.6
771.32074	18.2
772.30731	3.4
775.31293	7.8
780.29211	5.2
784.28088	3.5
789.33020	8.4
807.34528	17.8
816.31433	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	1149.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03417	8.1
82.06563	3.5
85.02895	5.9
86.09680	4.1
89.03897	2.7
91.05487	4.1
93.07019	3.1
94.06570	7.8
95.07333	5.8
96.08148	7.8
96.37333	1.8
97.02895	4.0
106.06517	2.3
107.07362	2.6
108.04485	6.2
108.08112	15.9
109.02881	5.9
110.06024	10.1
110.09675	13.7
117.03377	2.4
120.08105	13.3
122.06050	5.6
122.09669	6.1
124.07577	7.0
127.03906	4.1
135.04419	3.4
136.07617	9.4
138.09132	22.7
142.08534	2.1
142.14764	2.2
145.02864	1.9
147.04448	2.5
148.07593	7.1
150.09148	6.3
152.07068	3.3
154.08640	2.5
160.03943	7.1
160.07661	2.0
160.94276	1.9
163.03845	11.9
164.07057	2.8
166.08626	17.1
177.05516	2.1
178.05121	1.9
178.34787	2.2
211.08597	2.4
211.12286	4.1
212.09236	2.1
213.10225	3.3
223.08488	4.5
223.12318	3.4
224.13162	2.3
225.06650	3.1
225.10242	14.9
226.11005	8.5
227.11734	6.8
235.08707	3.8
236.09396	3.2
237.10263	11.5
237.13850	4.2
238.10980	7.6
239.08112	7.6
239.11763	24.1
240.12515	8.8
241.13258	3.2
249.10243	9.6
250.11116	11.3
251.11801	30.7
252.09129	2.7
252.12463	8.9
253.09746	8.9
253.13329	21.6
254.10478	8.7
263.11807	27.6
264.09024	2.1
264.12512	7.2
265.09839	12.8
265.13257	18.9
266.10388	5.8
266.14075	3.2
267.11295	20.6
267.14087	3.8
269.12830	3.1
277.09677	3.1
278.10477	5.4
279.11304	18.5
280.12079	5.3
281.12863	26.5
282.13229	5.0
283.10782	6.0
285.12363	13.1
286.12701	3.4
290.10446	2.5
291.11331	8.6
292.11795	2.5
293.09708	3.3
293.12836	16.3
295.10822	4.3
295.14206	4.3
296.11539	3.9
297.12460	10.6
298.13074	4.1
299.13870	9.2
303.86011	2.3
307.10739	6.3
309.12341	30.8
310.12808	6.0
311.10730	3.5
311.13885	15.8
312.14346	2.4
313.12027	3.6
319.10587	4.7
321.12329	7.7
323.13947	5.0
325.11853	3.8
327.13330	15.9
337.11514	4.0
339.13370	7.1
341.14819	11.0
351.13422	4.8
353.14880	7.5
355.16678	3.7
357.14236	2.2
369.14539	17.7
371.16043	13.7
381.14117	2.3
389.14185	2.3
393.14508	2.8
407.16019	6.5
411.15497	9.4
413.17072	2.6
417.14609	3.8
419.15796	3.3
420.19000	3.2
429.16415	7.3
433.13773	3.0
435.15494	15.0
443.17862	8.0
444.19104	2.7
448.18771	5.0
453.16522	17.1
455.17993	4.5
460.18796	2.9
463.14819	5.0
465.16190	5.7
467.18372	6.1
471.17593	18.0
479.18216	3.2
481.15765	4.2
483.17792	3.6
490.19260	2.4
497.19238	2.8
498.21179	3.0
510.22360	5.5
513.18549	15.0
514.19092	2.5
514.47266	2.5
515.20251	14.2
533.21002	2.7
574.21497	12.7
586.21423	9.1
588.23187	3.1
604.22998	4.2
606.24481	59.5
610.23773	8.3
612.26123	9.8
613.25861	2.9
618.24414	100.0
619.24133	8.7
622.23694	9.5
624.25525	11.0
634.23431	6.2
636.25574	9.5
640.24847	3.0
642.26520	38.1
643.27057	3.3
654.15790	4.1
654.26489	72.4
655.27002	7.1
658.25726	2.8
670.25916	3.4
672.27631	2.4
682.25427	7.2
711.30444	3.0
725.31384	8.5
739.29108	7.9
743.32666	10.0
753.30463	6.2
755.29065	3.6
757.30023	7.4
761.33197	3.0
771.32306	19.1
775.31299	8.8
780.28729	5.2
789.33148	7.5
791.30994	3.7
807.33441	7.7
816.30286	5.7
917.33392	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	1157.518
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	13.6
85.02900	6.6
89.03928	3.9
91.05476	20.7
93.07047	9.2
94.06570	14.8
95.04986	5.7
95.07335	9.5
96.08117	22.6
97.02852	4.6
98.22672	4.8
105.07036	8.4
106.06541	4.7
108.04472	7.7
108.08115	43.8
109.02870	10.5
110.06004	3.9
110.09669	27.2
119.08573	9.9
120.08108	36.7
122.06008	17.7
122.09648	9.4
127.03914	12.4
129.06990	4.6
134.06010	4.7
136.07579	23.0
138.09142	54.2
138.93222	3.6
139.09523	4.3
145.10077	6.0
146.06012	5.0
147.04417	4.6
147.11714	8.4
148.07607	11.1
150.09181	9.4
152.07104	6.1
159.11671	4.1
160.03958	17.6
164.07181	4.6
166.08612	53.0
172.11256	4.4
173.61813	3.6
175.04053	4.6
177.05522	5.1
178.05067	5.2
189.12749	14.7
192.06496	4.3
197.10793	7.1
199.08624	4.0
207.06587	7.5
209.10739	3.4
210.09360	4.0
210.11401	6.1
210.30396	3.9
211.08701	10.3
211.12318	7.4
212.09431	4.4
213.06781	5.1
213.10220	11.3
222.11485	4.3
222.39104	3.6
223.08710	14.3
223.12263	3.9
225.10237	42.4
225.13884	7.9
226.10942	18.2
227.11790	18.7
237.10217	26.1
237.13884	8.6
238.10931	21.3
239.08185	14.4
239.11783	69.9
240.12515	12.4
241.13332	7.5
246.11281	4.9
249.10214	13.7
250.11026	20.1
251.08090	10.9
251.11777	59.7
252.08907	5.0
252.12485	12.9
253.09770	23.4
253.13393	50.2
254.10413	14.9
255.11227	5.7
263.11786	40.3
264.08850	5.1
264.12448	8.5
265.09763	17.8
265.13367	59.6
266.10474	20.3
266.13922	6.8
267.11273	43.3
267.14551	6.2
268.11969	6.7
269.12912	8.1
271.10980	6.5
275.11673	6.0
277.09735	8.2
277.13422	5.6
278.10440	5.8
279.11346	40.7
280.11969	7.9
281.12833	71.5
282.13239	5.9
283.10822	12.7
285.12262	22.9
286.13165	6.9
291.11249	14.8
292.11963	8.9
293.09689	6.5
293.12784	37.9
294.09985	4.0
295.10748	6.8
295.14212	4.7
296.11676	5.1
297.12424	19.7
298.13028	8.9
299.14023	28.9
300.14529	5.2
307.10736	9.3
309.12344	66.7
310.13071	7.5
311.13858	42.4
312.14322	7.1
313.15768	8.6
318.13806	5.2
319.10886	7.5
321.12366	12.6
323.10172	5.5
325.11905	7.3
327.13406	40.5
328.13876	5.3
337.11749	9.2
337.15787	4.2
339.13455	15.1
341.15018	65.6
351.13333	7.7
353.14960	19.7
358.15588	4.5
359.15851	5.9
360.17081	5.9
369.14383	41.9
370.15381	6.8
371.15906	22.2
372.17078	6.7
386.18677	5.3
393.14334	5.6
401.17108	8.3
407.16116	7.1
411.15634	21.9
412.16251	7.3
413.17059	15.3
414.17911	10.8
416.19632	4.7
423.15378	4.4
424.16342	4.4
425.16852	13.1
429.16522	20.0
430.17554	6.9
432.18948	8.6
435.15488	17.2
436.15808	4.1
437.17175	9.4
441.16486	10.2
442.17322	5.9
443.18185	14.6
448.18375	6.2
453.16467	59.4
454.16937	4.6
455.18021	10.8
460.18506	6.6
462.20264	5.1
463.14871	4.3
465.16537	11.9
466.17316	5.5
467.18207	8.4
471.17657	47.8
472.18134	4.5
473.19110	12.9
474.20236	23.0
480.21204	6.8
481.16156	5.0
483.17654	12.7
485.18716	6.6
490.19647	4.1
492.21246	16.7
495.18024	5.4
497.18839	9.6
501.18134	6.2
503.19891	13.6
506.23154	6.8
513.18494	18.6
515.20233	26.8
522.22339	25.2
531.19672	11.7
533.20984	9.6
534.22540	23.9
556.20496	10.4
558.22644	4.8
562.21979	9.8
568.20319	6.2
572.24127	9.1
574.21423	19.1
586.22266	17.8
588.23340	33.9
589.24213	5.9
592.22931	17.5
594.24438	51.5
595.24927	7.0
600.23676	31.0
604.23114	15.6
606.24512	56.0
610.23517	4.6
613.26221	4.7
618.24432	57.9
622.23407	9.2
624.25482	100.0
625.25574	12.1
631.24384	8.3
632.25580	8.1
636.25421	88.4
637.25421	14.0
642.26373	5.1
650.26416	4.6
654.26874	34.8
664.24878	10.7
668.28180	5.5
671.42291	5.6
687.29761	11.1
693.28949	10.8
703.27643	5.0
707.30450	25.5
711.29932	8.1
721.28687	28.7
725.31909	79.1
726.32318	4.2
735.30261	9.4
739.30249	18.6
743.32916	22.0
750.28333	5.4
753.31104	62.1
754.30597	6.9
757.30005	17.0
761.33191	13.9
771.31946	33.5
789.33112	35.8
799.14008	5.1
833.46130	5.0
951.34930	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	1159.533
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03418	13.1
81.87328	4.9
83.04983	6.9
85.02872	6.1
85.39466	5.2
91.05482	13.4
93.07066	12.1
94.06563	26.8
95.04971	5.6
95.07356	11.1
96.08112	22.9
97.02906	8.6
103.05466	5.9
105.07008	11.2
105.63161	4.9
106.06576	5.1
107.07302	5.6
107.08602	11.3
108.04489	10.9
108.08099	40.5
109.02868	10.6
109.10198	4.4
110.09686	26.6
118.06406	5.0
119.08571	10.2
120.08100	21.4
121.10132	25.1
122.06034	19.9
122.09646	8.4
127.03918	8.6
136.07561	19.0
137.09634	30.7
138.09142	51.9
145.02823	5.3
146.05962	6.8
148.07610	11.7
149.13249	8.9
150.09155	11.8
152.06973	5.6
160.03943	14.6
160.07687	4.7
164.07037	6.6
166.08629	66.3
177.05458	8.3
187.06004	6.7
191.14232	11.4
207.06612	7.3
211.08684	11.6
211.12230	6.3
213.10220	11.5
223.08742	9.7
225.10207	43.9
226.10959	20.9
227.11826	21.7
235.08665	5.6
237.10226	28.4
237.13831	10.2
238.11028	16.2
239.08136	16.2
239.11766	72.6
240.12498	22.8
241.09573	5.7
241.13380	10.4
246.11298	6.8
246.34274	5.4
249.10355	13.8
250.11031	16.1
251.08209	9.8
251.11783	57.4
252.12401	21.3
253.09738	25.9
253.13379	49.9
254.10458	16.7
254.13770	9.0
263.11765	24.3
264.09326	5.8
264.12524	12.8
265.09808	20.2
265.13364	51.4
266.10489	18.1
266.13898	8.9
267.11282	41.9
267.14999	6.8
268.12067	12.8
269.12762	9.2
271.10852	7.1
277.09671	10.1
278.10483	9.6
279.11203	39.0
280.11996	10.2
281.09885	8.8
281.12842	77.3
282.13297	7.0
283.10730	14.6
284.11441	5.5
285.12430	24.7
291.11221	16.0
292.12140	5.6
293.12717	35.4
295.10962	8.1
295.14352	14.5
297.12204	16.2
298.13007	7.1
299.13879	29.5
307.10849	8.8
309.12329	55.0
311.13730	29.7
313.12137	7.5
321.12216	16.4
325.11841	9.4
327.13358	49.7
328.14017	9.8
330.16196	6.6
337.11752	11.3
339.13339	15.1
341.14926	52.0
351.13223	7.7
353.14835	13.7
358.15460	9.8
365.15201	5.7
369.14478	31.4
371.15933	11.2
372.17206	6.6
381.14362	10.3
399.15506	5.6
400.16364	6.2
402.17496	5.3
411.15411	20.9
413.16983	14.1
414.17838	9.7
416.20007	6.6
425.17181	23.1
429.16382	23.2
430.17389	9.4
432.19513	5.6
435.15521	10.0
437.17410	7.1
441.16431	6.5
443.18140	16.3
448.18518	6.6
453.16476	61.7
455.18332	12.0
460.18622	5.7
465.16275	13.9
471.17627	43.4
472.18469	6.6
473.19141	8.0
474.20023	10.1
483.17365	15.9
485.18921	6.8
492.21039	9.9
503.19678	6.1
513.18469	16.9
515.19989	15.8
534.22626	10.5
556.20630	8.5
574.21466	14.3
586.21674	16.3
588.23016	23.0
592.22711	16.3
593.22900	5.4
594.24091	19.2
600.22900	16.6
604.22974	27.0
606.24091	22.2
618.24316	51.8
619.24396	7.1
622.24060	7.6
624.25391	42.4
632.25031	6.2
636.25507	74.7
637.25836	12.7
654.26392	7.3
677.31110	5.7
679.31750	27.2
691.32031	13.2
693.28851	7.0
703.26947	6.5
707.30670	12.1
721.28406	39.8
725.31610	30.5
739.29156	22.1
743.33032	9.7
753.31665	30.6
757.30695	40.3
771.31689	16.0
789.33008	24.5
800.37433	32.7
812.37628	64.3
813.36755	14.1
816.39740	9.2
832.39508	7.7
844.40106	100.0
845.40094	11.7
947.42896	10.1
965.44830	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05051	3.2
81.03433	9.2
81.07030	3.1
82.06610	3.7
85.02892	4.3
91.05482	21.1
93.07061	12.7
94.06572	22.7
95.04961	4.0
95.07339	11.3
96.08132	21.2
103.05460	3.8
105.07052	8.3
106.06547	4.1
107.07347	4.1
107.08611	9.1
108.04504	7.6
108.08118	47.1
109.02843	4.1
110.06059	3.9
110.09678	36.5
110.10362	2.8
115.05447	4.4
117.07056	3.5
118.06499	2.3
120.08099	26.7
121.06532	3.5
122.06046	19.7
122.07299	5.4
122.09678	6.8
124.07595	4.0
127.03914	4.3
131.93353	2.4
132.04440	4.3
132.08086	4.4
133.10110	12.3
134.06001	6.8
134.09715	3.0
134.94829	2.3
135.08054	7.6
136.07571	27.7
137.08104	2.4
137.08693	3.2
137.09607	20.8
138.09132	46.8
144.08107	3.0
145.02884	3.0
146.05988	2.9
146.09644	3.1
148.07556	18.0
150.09131	12.8
152.07088	6.7
160.03912	18.6
160.07643	3.9
164.07101	4.7
166.08636	66.9
172.03934	3.7
174.05441	3.1
174.09126	3.6
175.03908	2.5
177.05531	3.9
178.08580	3.3
180.34091	2.5
188.10680	3.3
190.04941	3.6
192.06578	3.4
196.09883	3.0
197.10756	3.2
199.08662	10.0
199.12408	3.8
200.10684	3.2
202.08856	2.4
204.06573	5.4
207.06561	3.1
209.10690	4.7
210.11307	3.8
211.08696	11.7
211.12396	8.3
212.07358	2.5
212.09409	5.1
212.13069	3.2
213.06558	5.4
213.10214	14.3
216.10172	5.3
221.10750	5.2
222.11458	4.3
223.08643	13.5
223.12392	7.0
224.09305	2.7
224.13072	4.8
225.10226	51.9
225.13876	7.9
226.10954	26.0
227.08255	4.9
227.11768	21.6
232.09711	3.0
235.08714	9.4
235.12270	3.4
236.09514	5.3
237.10201	29.4
237.13934	9.7
238.10968	23.8
239.08194	21.2
239.11775	82.3
240.12459	22.5
241.09850	3.0
241.13377	7.9
244.09723	4.4
246.11296	4.8
248.09505	4.6
249.10242	18.5
250.11017	22.9
251.08182	9.6
251.11806	69.2
252.09010	10.0
252.12329	18.5
253.09734	32.1
253.13390	64.6
254.10529	23.4
254.13869	5.5
255.11372	3.7
260.09283	3.0
262.11249	4.0
263.11777	45.2
264.09079	5.6
264.12506	13.5
265.09787	27.7
265.13385	76.7
266.10529	20.8
266.13971	7.4
267.11298	51.3
267.14914	7.6
268.11923	9.4
268.15543	2.8
269.12848	6.8
271.10751	10.0
275.11722	3.5
277.09705	10.9
277.13376	7.8
278.10651	11.8
278.13699	2.6
279.11267	41.4
280.11981	13.3
281.12836	86.1
282.13388	6.3
283.10825	14.4
283.13983	5.0
284.11554	3.3
285.12329	30.6
286.13031	8.6
291.11240	19.0
292.11981	6.7
293.09457	4.7
293.12802	40.0
294.13541	4.9
295.10864	6.6
295.14435	12.6
296.11615	8.3
297.12375	18.3
298.13123	5.9
299.13843	33.9
307.10718	5.5
309.12296	69.4
310.12848	8.7
311.13873	47.3
312.14410	5.0
313.15540	9.8
319.10776	9.3
319.14365	4.6
321.12347	20.9
323.13867	6.4
325.11823	8.4
325.15387	4.2
326.12781	4.3
327.13412	52.8
328.14111	5.5
330.16083	3.4
335.14069	3.3
337.11786	8.7
338.12808	3.8
338.76358	3.1
339.13477	19.0
340.14163	5.1
341.14957	61.4
342.15695	7.8
344.13968	5.8
351.13388	11.7
353.14969	25.2
354.15771	3.2
355.16455	5.3
357.14493	12.2
358.15317	4.1
359.16086	7.1
360.16946	4.5
367.12643	4.1
367.16806	3.9
368.13605	3.5
369.14401	42.5
370.15045	7.4
371.16049	23.1
372.16971	6.6
377.15033	3.3
379.12558	3.5
381.14401	7.2
383.15967	9.6
384.16989	5.9
386.18768	5.9
393.14343	5.5
395.16254	4.4
399.15353	3.5
400.16513	6.1
401.17029	10.2
402.18036	5.5
407.16150	8.2
409.17395	3.3
411.15503	25.0
412.16226	6.2
413.17023	19.7
414.18097	9.7
416.19769	6.9
417.14502	4.7
418.17526	5.6
420.19012	3.3
423.15390	5.5
425.17181	16.0
429.16449	20.4
430.17374	8.4
432.19373	5.1
434.20157	3.1
435.15533	18.8
437.17181	7.7
439.14877	7.3
441.16595	12.6
442.17468	8.6
443.18100	24.0
446.20926	3.9
447.15515	3.3
451.14630	3.9
453.16574	65.1
454.16904	4.3
455.18640	11.1
460.18582	8.9
462.20148	4.4
463.15012	4.3
465.16507	11.9
467.17996	4.7
469.15851	4.1
470.16962	3.9
471.17599	55.7
472.17920	10.3
473.19156	19.9
474.20038	16.6
480.20499	3.0
481.15955	8.9
482.16989	7.8
483.17737	14.4
485.19229	7.1
489.18564	3.7
490.19540	7.4
492.21271	13.2
495.17303	4.1
497.18857	5.7
497.62982	2.8
499.17105	9.8
501.18649	7.0
502.19467	5.7
503.20166	9.2
506.22687	4.9
513.18579	20.7
514.19360	2.9
515.20105	22.3
516.20270	4.8
522.22516	16.9
528.21875	3.5
531.19897	12.5
532.19965	3.5
533.21088	15.1
534.22498	18.8
556.21021	9.4
558.21814	3.7
562.21552	7.5
568.20795	6.3
572.23694	2.9
574.21606	16.7
575.22345	3.1
576.23016	4.2
582.23108	3.2
586.21741	20.3
588.23401	28.8
589.23712	3.9
592.22766	22.7
593.23120	3.2
594.24487	60.3
595.25067	6.2
600.23395	23.8
601.23016	2.8
603.25629	7.6
604.22900	27.1
606.24475	41.3
607.24445	7.2
608.25824	3.3
610.24121	16.2
618.24390	51.4
619.25104	5.5
622.23743	18.9
624.25549	99.2
625.25873	12.6
627.27655	3.6
631.25385	5.4
632.25641	4.8
636.25494	100.0
637.25671	10.3
642.26532	7.5
654.26550	44.2
655.26654	6.1
664.24866	9.5
668.28320	4.7
677.30505	3.4
687.30072	8.3
691.32239	3.6
693.29803	12.7
703.27216	5.5
707.30695	24.6
708.31000	3.9
711.30115	4.4
712.30035	3.5
721.28668	30.1
725.31665	71.1
726.31348	9.9
730.24854	3.0
735.29468	5.8
739.29730	22.7
740.29059	2.9
743.32758	20.7
744.32629	3.5
753.31183	60.0
754.31616	11.3
757.30859	41.2
758.30579	4.0
761.33850	11.8
762.28723	5.3
771.32300	37.1
772.31635	3.4
775.31213	7.8
789.33307	41.7
790.33032	6.1
798.30389	7.0
800.36749	7.3
812.37128	14.4
826.38885	2.9
844.39709	17.0
947.43860	6.1
962.14752	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.36417	0.1
56.05044	0.2
58.06598	0.2
68.05027	0.3
70.06595	100.0
70.43871	0.2
70.44212	0.3
71.06332	0.2
71.06925	2.6
74.02428	0.7
86.06058	0.1
95.90720	0.1
98.06069	0.2
98.09733	0.1
101.22327	0.1
102.02254	0.1
103.00700	0.2
105.11699	0.1
116.07096	7.5
116.10735	0.5
117.07468	0.2
129.85454	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	1163.456
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	4.9
85.02908	4.0
89.03899	13.3
91.05482	5.4
93.07034	4.4
93.85763	2.4
94.06585	7.4
96.08131	6.1
97.02860	3.0
106.06544	4.2
108.04456	4.2
108.08098	12.8
109.02858	5.2
110.01810	2.4
110.06049	11.1
110.09678	12.0
111.12673	2.2
117.03375	19.0
120.08100	9.4
122.06000	5.5
122.09715	2.7
124.07594	5.7
127.03935	5.6
136.07608	10.2
138.09117	19.0
145.02838	33.3
147.04439	3.3
148.07596	4.7
149.06023	6.2
150.09157	6.6
152.07053	5.1
160.04005	5.4
163.03929	6.1
164.07066	6.3
166.08612	24.0
172.03792	2.5
173.97287	2.1
177.05452	43.1
201.10361	2.2
207.06569	3.7
211.08707	5.3
213.10242	3.5
222.11496	3.5
223.08707	3.2
225.10065	10.9
226.10953	4.6
227.11815	7.4
233.73105	2.5
235.12338	4.0
236.09439	2.5
237.10249	9.0
237.13695	3.3
238.11049	6.1
239.08211	7.2
239.11797	19.1
240.12529	6.3
241.13420	4.1
247.40346	2.6
248.09537	7.1
249.10242	8.3
250.11026	10.7
250.24733	2.3
251.11789	28.5
252.12482	7.1
253.09792	7.7
253.13330	14.3
254.10539	9.4
255.11328	3.5
262.11142	2.9
263.11813	30.3
264.12625	9.6
265.09763	6.4
265.13354	26.2
266.10498	2.8
266.14044	2.7
267.11292	14.0
267.14392	2.6
268.12036	2.6
269.09586	2.2
269.12485	3.0
271.10687	3.8
277.09903	4.4
278.10461	2.9
279.11230	12.4
280.12076	4.2
281.12805	21.0
283.10837	3.7
283.14240	4.4
285.09656	2.3
285.12225	13.5
291.11362	8.9
293.12732	12.5
294.13580	2.8
295.10645	7.4
295.14307	6.0
296.11606	11.1
297.12369	10.6
299.14014	14.3
307.10690	3.9
309.12308	75.8
310.12769	5.5
311.13815	26.6
313.11957	2.6
319.10754	3.9
321.12616	3.5
323.13980	2.9
325.11893	7.1
327.13376	79.2
328.13870	3.8
337.11829	22.2
338.12402	4.4
339.13550	10.0
341.14926	9.4
351.13446	3.0
353.14905	5.6
357.14380	4.7
359.15857	8.9
369.14462	79.2
370.15143	5.2
371.16013	56.4
422.20361	3.7
434.20660	2.9
443.18036	3.6
448.18759	8.3
453.16599	3.7
460.18161	3.2
462.30862	2.4
466.19818	18.9
471.17651	8.1
478.19763	27.9
492.21207	14.7
498.22272	33.5
499.22592	3.1
510.22342	100.0
511.22830	5.6
513.18561	4.0
515.20404	2.8
606.24274	6.8
612.25323	5.1
613.26849	10.8
617.29340	2.7
618.24420	18.9
631.27533	55.5
632.27686	3.9
642.26221	12.3
645.29468	3.2
654.25940	20.8
655.26672	2.5
663.30103	28.3
664.29517	3.0
672.27600	5.1
686.26489	9.8
723.69598	2.7
743.33508	3.5
757.29327	2.8
771.32324	3.0
789.31812	2.9
807.32990	6.8
830.30182	3.3
1163.50037	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	1166.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	3.0
84.83347	2.5
85.02942	3.0
91.05476	6.0
93.07033	6.3
94.06567	11.3
95.04927	2.8
95.07345	5.5
96.08132	6.0
97.02887	2.6
98.23422	6.8
103.44295	2.6
106.06532	2.4
108.04479	7.7
108.08126	22.1
109.06528	2.3
109.21084	2.3
110.09666	11.6
120.08099	11.8
122.06055	6.9
132.04474	4.6
134.05942	3.1
136.07594	8.7
138.09160	15.8
146.09618	2.5
148.07553	6.8
150.09137	8.5
150.76291	2.6
152.07019	3.2
160.03928	10.1
163.03851	3.1
166.08644	24.2
172.03888	2.8
177.05569	3.0
197.10760	3.4
199.08722	4.2
209.10735	2.4
211.08606	8.6
211.12296	7.7
212.09538	4.0
213.10194	5.4
220.38905	2.6
222.11430	4.5
223.08661	8.8
223.12308	5.4
224.09267	2.6
225.10229	26.7
225.13834	4.1
226.10808	13.9
227.11731	13.6
230.74277	3.0
235.08577	6.1
235.12373	4.5
236.09352	4.2
237.10260	15.1
237.13852	6.5
238.10966	14.5
239.08110	11.8
239.11794	38.6
240.12364	6.1
241.13309	6.4
248.09413	4.1
249.10204	15.6
250.11044	11.8
251.08167	4.3
251.08920	4.2
251.11780	44.7
252.08806	6.4
252.12355	6.6
253.09758	11.4
253.13287	19.9
254.10448	5.1
263.09241	2.8
263.11713	18.8
264.12378	3.5
265.09937	13.6
265.13351	32.1
266.10468	6.4
266.14047	7.1
267.11292	24.5
267.14093	3.7
268.12006	3.7
271.10831	6.5
277.09616	7.4
278.10437	9.0
279.11176	26.5
280.11905	3.4
281.05978	2.9
281.12894	31.3
282.13306	2.9
283.10757	7.0
285.12329	18.9
286.13028	5.0
291.11343	9.0
293.12833	17.4
295.14316	3.2
297.12317	12.3
299.13913	11.3
307.10730	5.3
309.12326	17.0
311.13763	17.1
312.14182	2.6
313.15448	3.6
319.10681	4.0
321.12335	5.8
327.13486	10.2
341.14908	19.3
357.14319	2.9
360.17026	3.3
372.16925	3.1
411.15314	3.9
425.16953	4.0
453.16376	11.7
455.17883	4.5
469.77664	3.1
471.17499	4.2
474.20056	3.3
525.16931	3.5
592.22925	3.9
600.22308	2.9
606.23828	8.1
618.24445	3.1
624.25250	6.2
636.25116	4.9
644.20520	11.8
658.22290	14.0
668.20441	10.1
670.22375	4.3
684.19940	3.5
686.21588	38.9
687.21094	3.4
698.20911	4.7
700.22656	3.9
718.24664	14.5
728.23016	16.4
729.22949	4.1
730.25079	20.9
775.27502	5.5
789.26080	5.4
801.25452	8.6
807.27167	25.5
808.27344	4.9
819.27283	35.1
821.28033	9.0
822.27936	2.9
833.28589	17.8
839.29688	40.7
840.30127	6.4
850.27606	3.7
851.29681	100.0
852.30518	12.2
882.30707	8.2
954.33551	5.9
972.34204	10.8
986.36206	4.1
1155.38232	2.9
1167.42664	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	117.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
53.88446	0.6
56.96587	0.7
63.02380	17.7
70.06583	1.1
70.19765	1.3
70.20099	0.6
71.06921	2.8
72.08153	1.8
79.05482	0.9
89.03919	100.0
89.76818	0.6
90.04248	4.1
95.04997	3.0
98.42242	0.6
107.04967	0.6
115.05415	0.7
117.03392	7.9
118.06527	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	1173.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05470	20.2
93.07044	17.4
94.06573	24.1
95.04948	8.8
95.07353	11.0
96.08128	21.6
97.02915	12.9
106.06532	11.0
108.08150	53.4
109.02895	18.9
110.09663	37.0
110.78559	9.2
120.08101	40.9
122.06004	22.0
122.09659	19.0
127.03911	18.5
136.07584	27.9
138.09135	57.2
140.07159	8.6
148.07535	11.4
150.09174	14.6
160.03958	15.2
162.59119	8.8
166.08632	50.6
175.03975	9.2
189.71761	8.1
204.06738	12.8
211.12547	9.6
213.10283	15.6
216.10246	10.4
223.08833	11.5
223.12299	14.7
225.10213	50.2
225.13850	10.4
226.10999	27.5
227.11929	10.4
235.08650	14.3
235.12221	10.1
236.09190	11.6
237.10239	37.0
237.13933	10.3
238.10950	31.5
239.08133	24.2
239.11795	71.1
240.12430	24.9
247.08240	12.1
249.10233	22.7
250.11012	19.6
251.08089	18.6
251.11812	88.2
252.12527	20.7
253.09760	35.3
253.13254	46.8
254.10493	21.6
263.11813	48.8
264.12567	12.6
265.09799	34.4
265.13239	62.9
266.10391	19.1
266.13959	12.9
267.11389	46.3
269.12817	9.5
277.09927	13.8
277.13297	12.9
278.10681	20.2
279.11154	65.7
280.11942	16.1
281.12750	77.1
285.12329	31.5
291.11166	23.3
292.11697	12.9
293.12863	49.9
294.13245	10.6
295.10831	13.7
295.14319	11.4
297.12296	28.4
299.13898	25.4
307.10907	10.6
309.12341	68.2
310.13159	9.6
311.13904	48.3
319.10846	13.7
321.12155	22.3
327.13437	56.0
337.11646	15.3
339.13614	17.7
341.14926	63.6
356.13510	10.9
357.14664	15.8
359.16202	14.0
369.14429	34.8
371.16095	18.6
372.16599	11.4
407.16003	11.5
411.15533	24.9
413.17093	10.4
425.16980	25.5
429.16287	20.0
430.17563	14.2
435.15579	26.1
437.16656	23.5
443.17880	25.4
453.16626	63.1
460.18530	10.1
465.16599	10.9
467.19586	10.8
471.17642	56.1
483.17725	12.9
485.18933	14.4
492.21271	19.1
495.17514	13.2
513.18604	18.0
515.20251	32.2
516.20245	11.2
522.22577	15.2
534.22021	13.7
574.21417	18.1
586.21912	27.7
588.23163	38.6
592.22021	20.2
594.24335	26.1
600.23297	32.0
604.22803	37.0
606.24371	70.4
618.24878	68.8
624.25525	75.0
636.25391	100.0
655.56976	10.3
664.24847	10.8
682.58771	10.7
693.28864	34.5
707.30023	32.4
721.28802	43.5
725.31610	82.3
739.29297	20.7
743.32281	23.4
753.31305	72.0
757.30377	19.4
762.27783	14.1
771.31976	16.5
789.32928	18.9
792.68396	12.3
826.34979	20.3
858.37347	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.529
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03428	7.7
84.08125	5.0
85.02921	5.6
88.34882	4.3
91.05482	19.7
93.05778	4.5
93.07041	15.2
94.06573	30.3
95.04977	7.9
95.07356	17.1
96.08121	19.8
97.47725	4.3
106.06558	14.7
107.07357	7.4
108.04496	8.0
108.08114	53.5
109.02877	7.1
110.06072	5.8
110.09669	38.3
120.08109	36.2
121.06489	7.8
122.06019	20.8
122.09661	12.6
124.07563	4.5
134.06026	10.6
136.07596	32.3
138.09137	73.1
144.07941	5.0
146.06085	6.0
146.09642	6.2
147.04434	7.2
147.11650	7.1
148.07585	18.8
150.09143	20.2
152.07068	8.6
160.03925	19.5
164.07108	6.5
166.08636	64.9
174.09160	6.3
175.03966	5.6
177.05499	7.0
199.08585	6.3
200.07169	7.8
204.06473	7.9
207.06458	5.8
211.08759	17.4
211.12219	9.6
213.10228	16.9
216.10330	6.5
223.08641	11.2
223.12198	10.4
225.10208	41.4
225.13872	8.6
226.10916	29.4
227.08224	5.9
227.11638	23.2
232.09889	5.5
235.08630	13.1
235.12466	5.2
236.09270	7.2
237.10219	32.7
237.13846	10.2
238.10960	20.2
239.08118	19.9
239.11780	89.1
240.08394	4.7
240.12509	27.2
241.09734	8.4
241.13342	10.3
246.11519	4.8
249.10124	21.0
250.11058	26.2
250.89847	4.7
251.08110	10.8
251.11804	81.1
252.09059	8.6
252.12495	16.0
253.09808	33.1
253.13353	61.0
254.10403	22.0
254.13971	7.1
255.11368	9.3
260.09491	5.1
263.11798	40.0
264.08972	5.6
264.12411	19.6
265.09766	31.4
265.13367	76.6
266.10440	20.8
266.14017	13.7
267.11261	66.0
267.14542	8.3
268.11984	12.2
269.12735	8.3
271.10861	6.3
275.11905	5.6
277.09805	15.8
277.13315	10.7
278.10443	11.9
279.11298	53.7
280.11951	15.7
281.09540	9.8
281.12805	100.0
282.13351	8.0
283.10822	14.2
283.14212	6.6
285.12289	33.7
286.13025	8.7
291.11288	17.2
292.11871	7.2
293.09705	8.7
293.12839	44.0
294.13281	8.7
295.11230	6.0
295.14389	13.8
296.11487	7.7
297.12329	30.8
298.13199	7.6
299.13922	38.2
300.14178	5.9
303.11115	6.6
307.10730	8.4
308.11313	5.1
308.71933	4.8
309.12302	67.5
310.12589	10.1
311.13831	43.5
312.14520	5.4
313.15417	11.0
319.10706	14.8
319.14456	7.0
321.12323	27.4
323.13992	9.7
325.12103	11.8
326.12781	6.9
327.13321	45.7
328.13980	8.7
330.33365	5.0
337.11896	11.9
338.12442	9.5
339.13348	18.8
341.14981	51.6
342.15988	6.3
343.29730	4.8
344.13791	5.0
353.14999	17.2
355.12729	5.0
357.14505	13.5
366.46744	4.9
369.14398	36.7
370.15067	10.1
371.15979	24.4
372.16827	7.1
381.14490	6.7
385.13925	5.0
399.15570	5.0
400.16660	5.8
407.15790	12.7
409.17679	6.3
411.15448	25.4
412.16141	6.3
413.17050	10.4
414.17984	9.5
425.17191	13.4
429.16547	19.6
430.17099	6.8
432.19064	8.9
435.15524	17.7
437.16925	13.4
442.17538	7.8
443.18115	23.3
444.18561	5.3
447.15488	8.7
453.16525	60.3
454.16772	7.2
455.18329	14.0
460.18445	5.2
465.16623	12.9
467.18048	8.8
471.17535	51.1
472.18057	8.0
474.19849	10.9
479.17490	5.6
481.15662	7.6
483.17529	11.7
484.17593	5.2
485.19016	10.0
492.21420	15.3
495.17572	5.1
497.19199	7.9
513.18726	25.7
515.20282	21.7
516.20660	5.7
522.21942	12.9
524.21448	5.8
528.21198	5.0
534.22119	15.1
548.23407	6.8
556.20538	13.5
562.22382	6.7
566.25134	5.6
568.20630	10.5
572.23187	7.8
574.21832	12.6
578.26141	5.7
586.22040	18.8
588.23566	29.9
592.22589	22.3
594.24329	27.3
600.23773	29.3
604.23260	31.0
605.23175	5.0
606.24323	56.8
613.25830	7.1
618.24109	49.7
619.24890	10.6
620.26190	5.5
622.24066	11.9
624.25488	59.3
625.25165	9.9
632.25012	6.7
636.25452	89.3
637.25793	9.0
640.25073	8.0
654.26288	16.1
664.24640	7.7
675.28082	6.4
687.29669	5.2
693.29407	9.8
695.30536	11.0
703.27002	9.8
707.30963	23.1
721.28455	28.2
725.31799	67.0
731.31970	5.9
739.29449	17.5
741.31757	6.6
743.31958	20.8
753.31354	71.6
757.30652	26.7
761.33282	6.5
762.29272	6.9
769.29590	8.9
771.32043	23.9
772.31781	5.1
776.33990	7.6
787.31317	6.5
789.32574	17.2
798.32556	5.9
805.31763	6.5
810.35382	13.0
816.37244	6.3
828.35962	17.1
830.38733	6.4
842.37610	14.1
860.38812	21.5
963.43390	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	1175.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	6.9
85.02913	3.6
89.03918	2.3
89.81477	2.1
91.05476	12.9
91.75451	2.0
93.05791	4.2
93.07052	7.5
94.06570	25.2
95.04984	5.9
95.07339	12.4
95.08619	6.7
95.29584	2.2
96.08130	20.6
97.02894	2.6
97.06487	2.5
103.05467	2.9
105.07037	5.1
106.06524	4.6
107.07345	4.5
108.04491	8.2
108.08119	46.1
109.02865	7.4
109.06516	2.7
110.06055	2.6
110.09684	35.1
119.04962	2.5
119.08633	3.1
120.04488	3.9
120.08099	28.9
121.06504	2.9
122.06023	17.4
122.09631	7.8
122.71021	2.3
123.08098	3.1
124.07587	2.8
127.03928	3.9
130.06487	2.3
132.04417	4.3
132.08029	3.9
133.10150	2.9
134.06044	6.6
134.72749	2.2
136.07568	25.5
137.09621	2.6
138.08101	3.7
138.09143	56.9
139.09381	2.1
144.07993	2.9
145.02911	2.8
146.05971	6.2
146.09708	2.9
147.04393	6.4
148.07594	16.1
150.05527	2.8
150.09151	11.1
152.07080	6.5
158.09685	3.9
160.03929	16.9
160.07545	3.2
163.03870	2.7
164.07114	5.1
166.07317	4.2
166.08644	59.9
166.67073	2.0
172.03918	4.5
172.07532	2.8
174.05499	4.0
174.09088	3.0
174.10439	6.9
175.03802	2.5
177.05457	2.3
178.05017	2.6
178.08679	2.3
180.10165	2.8
184.07565	2.1
186.09105	3.4
187.08499	2.5
188.10789	2.8
189.12741	16.1
190.05032	5.1
192.06607	2.7
197.10747	6.9
198.09138	2.9
199.08664	6.5
200.10806	2.7
201.10179	2.5
202.05011	3.5
202.08719	2.7
204.06564	5.2
207.06456	4.7
208.09752	2.5
209.10719	3.3
210.11415	4.6
211.08626	10.2
211.12340	8.2
212.09290	4.4
213.06558	2.7
213.10260	11.2
216.10222	4.5
221.10764	3.1
222.11526	3.0
223.08702	14.8
223.12299	8.7
224.09424	6.6
224.13000	3.8
225.10207	49.0
225.13847	5.6
226.10924	22.0
227.11761	24.1
229.13420	3.7
235.08702	7.7
235.12352	6.0
236.09418	7.3
237.10210	27.8
237.13881	6.5
238.10965	22.0
239.08159	22.0
239.11786	72.8
240.12523	17.9
241.09796	4.8
241.13354	9.1
244.09654	5.6
246.11261	6.0
247.12546	2.8
248.09416	3.7
249.10161	18.8
250.10928	19.9
251.08434	10.1
251.11783	69.3
252.09001	6.0
252.12413	17.5
253.09756	28.4
253.13368	59.4
254.10521	25.6
254.13945	6.5
255.11278	3.0
261.10382	2.4
263.11777	39.5
264.09070	2.9
264.12500	10.3
265.09796	25.0
265.13364	70.1
266.10529	21.3
266.14032	10.3
267.11295	42.3
267.14841	10.6
268.12076	7.7
269.09232	2.4
269.12927	7.4
271.10815	6.6
275.11896	4.1
276.12604	2.9
277.09735	12.1
277.13351	7.8
278.10403	12.7
279.11246	46.5
279.14282	4.1
280.12015	12.2
281.12836	78.8
282.13498	5.2
283.10797	13.0
283.14417	5.9
284.11539	5.5
285.12259	34.3
286.13120	9.6
287.13699	2.6
290.10608	2.3
290.13718	2.6
291.11258	20.6
292.11990	8.0
292.33670	2.4
293.09467	4.1
293.12799	38.0
294.13348	4.0
295.10782	8.0
295.14386	13.1
296.11456	5.7
297.12354	22.9
298.13083	8.3
299.10886	3.8
299.13922	33.1
300.14288	2.9
301.13058	2.7
303.11118	3.5
305.12656	3.3
307.10803	10.7
307.14230	3.7
308.11533	3.7
309.12308	59.8
310.12900	8.2
311.13858	44.4
312.14511	4.4
313.12137	3.1
313.15326	10.7
316.14499	2.6
317.12775	4.2
319.10773	9.8
320.11444	4.8
321.12277	19.7
322.12775	3.4
323.13895	5.4
325.11844	8.0
326.12650	5.1
327.13397	51.0
327.17249	2.6
328.14133	7.1
335.13800	3.6
337.11798	9.2
339.13382	16.2
341.14969	55.7
342.15524	5.7
344.13965	3.5
344.17630	3.2
351.13370	9.2
353.15063	19.9
354.15891	4.8
355.13037	3.7
357.14581	9.4
358.15225	7.1
359.16107	4.9
360.16846	4.1
369.14505	44.1
370.15167	7.3
371.16016	25.6
372.16953	8.2
373.17972	3.6
374.18762	3.7
375.13040	2.9
379.16870	4.1
381.14484	6.8
382.15073	2.9
383.15875	5.1
384.16788	3.0
386.18576	2.8
387.15829	3.5
391.16412	4.3
393.14352	3.8
394.15125	3.0
395.16061	3.3
399.15506	5.6
400.16122	4.5
401.16943	6.6
402.18106	3.9
407.16034	7.5
409.17892	2.8
411.15421	24.9
412.16226	4.5
413.17139	16.5
414.18164	6.4
416.19629	8.3
418.17258	3.4
419.16455	4.9
420.19263	4.7
423.15546	4.8
425.17175	18.3
429.16559	17.9
430.17419	5.7
432.19220	10.5
435.15665	22.3
436.16251	2.8
437.17209	7.7
440.15521	5.1
441.16757	11.1
442.17392	5.4
443.18146	22.9
444.18973	4.3
446.20694	5.0
447.15381	5.3
448.18646	3.3
453.16513	58.4
454.16711	4.2
455.18155	10.6
460.18619	10.1
462.19989	3.8
463.14926	6.3
465.16617	8.8
466.17532	3.0
467.18201	12.1
469.15747	3.8
471.17596	53.9
472.18082	8.5
473.18997	9.4
474.20026	18.7
479.18124	4.1
480.20950	6.0
481.16022	7.0
482.16586	3.3
483.17813	14.5
484.18225	4.3
485.19226	8.1
490.19421	4.0
492.21210	14.9
497.19025	7.8
498.19891	3.4
501.18726	5.4
502.19342	6.6
503.19885	7.3
506.22498	3.9
513.18524	20.8
514.19159	4.3
515.20270	21.5
516.20868	5.1
522.22485	15.1
531.19440	9.2
533.21234	10.6
534.22284	23.8
542.22357	6.0
556.20526	10.2
558.22540	3.0
560.23663	3.7
562.21783	6.5
568.20886	6.9
572.23676	5.0
574.21814	12.3
576.23590	5.0
585.24426	3.2
586.21826	18.7
587.22095	5.0
588.23431	37.3
589.23560	5.3
590.24609	2.8
592.23035	21.5
593.22473	3.2
594.24506	45.0
595.24878	6.2
600.23242	34.6
603.25867	6.0
604.22461	22.0
606.24384	47.7
607.24609	5.9
610.23877	6.3
613.26306	5.3
618.14667	4.5
618.24323	57.9
619.24512	8.0
622.24420	11.1
623.24023	3.1
624.15161	4.2
624.25433	83.3
625.25372	9.4
627.28833	3.5
631.24506	4.4
632.25464	7.4
636.25458	100.0
637.25537	7.1
642.26147	3.5
650.26599	4.4
652.24463	3.5
654.26495	26.8
655.26910	5.5
664.24353	10.1
668.27844	6.7
675.27563	3.4
677.29865	6.2
687.29681	5.0
689.30096	3.4
693.28900	11.5
695.30682	3.2
703.27020	6.0
707.30640	24.8
708.31702	3.3
711.29828	7.7
721.28656	33.8
725.31726	64.3
726.32312	12.1
729.30707	5.5
732.27423	2.9
735.29645	9.8
739.29810	21.1
740.30042	3.6
743.33185	17.9
744.32837	3.6
750.28900	5.4
753.18634	3.7
753.31219	65.3
754.31006	7.7
757.30560	29.1
758.30536	3.7
761.33148	8.6
762.28406	7.6
771.32129	30.0
789.33173	28.8
790.33234	4.2
798.34174	7.5
810.35150	6.9
818.69476	2.6
828.35626	3.7
842.37543	12.5
851.34332	4.8
860.38635	6.7
869.34497	3.5
879.33801	3.2
887.36841	3.9
897.34424	3.6
963.43298	5.4
1175.47729	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	3.2
51.02382	12.4
53.03950	92.5
55.01875	3.6
58.06586	1.8
65.03953	3.9
71.19547	2.5
72.08123	2.6
76.92857	4.0
77.03927	15.4
79.05497	6.3
81.03419	9.1
91.05484	100.0
93.07047	7.0
95.04969	92.1
95.18438	1.9
96.05299	4.0
103.05470	15.6
104.06260	14.0
105.04516	45.7
105.05219	2.5
106.04867	2.4
112.36412	1.6
115.05457	6.8
117.07021	41.1
118.06547	95.3
118.08656	3.3
119.06071	4.1
119.06857	5.5
119.08581	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	3.7
50.12909	1.5
51.02386	9.4
53.03948	99.1
54.04278	3.3
55.01867	5.5
55.10454	1.7
55.87729	1.8
55.98382	1.7
59.07352	2.1
64.77373	1.4
71.30405	1.9
71.30788	1.9
73.97324	1.5
77.03928	16.1
78.04736	1.9
79.54880	2.0
81.03427	9.8
91.05482	82.5
92.05805	3.7
93.07055	2.2
95.04969	100.0
96.05312	4.9
101.27740	1.8
102.58641	1.8
103.05479	6.2
104.06260	6.8
105.04517	49.0
106.04855	1.9
110.84351	1.7
115.05457	3.7
116.05816	7.7
117.07018	13.8
118.06553	99.6
118.07351	8.6
118.08657	2.7
119.06882	4.1
119.08585	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.0
51.02380	11.2
53.03948	88.7
54.04282	3.2
55.01871	2.9
58.06598	4.6
59.07380	4.3
63.51780	1.6
65.03944	2.1
71.30997	2.2
72.08167	2.5
77.03920	12.9
79.05483	3.1
79.67744	1.4
81.03400	7.2
91.05478	67.5
92.05817	3.4
93.07038	2.0
95.04967	93.3
96.05297	4.5
103.05465	6.8
104.06253	8.0
105.04513	41.4
106.64015	1.9
115.05440	3.0
116.05809	6.9
117.06998	15.0
118.06544	100.0
118.07279	5.0
118.08664	5.3
119.06117	2.6
119.06905	5.5
119.08572	29.7
128.04814	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	2.3
51.02387	11.5
53.03950	90.6
54.04272	2.0
55.01868	4.2
58.06604	1.8
59.07377	2.8
70.69946	2.1
72.08156	2.3
74.21175	1.3
77.03935	15.4
78.04746	1.2
79.05499	4.8
81.03436	8.9
84.98875	1.3
91.05482	86.5
92.05830	3.4
93.07060	2.3
95.04971	89.6
96.05306	3.1
103.05473	6.4
104.06261	9.7
105.04518	45.8
115.05460	4.4
116.05811	8.3
117.07031	14.2
118.06556	100.0
118.07348	9.2
118.08675	4.1
119.06142	2.5
119.06898	4.7
119.08581	36.1
136.64293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80387	0.6
53.03937	0.8
53.79560	0.6
55.05503	2.1
57.03440	0.7
57.44578	0.7
58.06587	3.2
59.07376	3.2
59.93099	1.2
62.59028	0.6
65.03934	2.0
70.06609	0.8
70.79810	1.3
70.80134	0.7
72.08160	7.6
76.58609	0.8
76.93370	11.2
84.38455	0.7
91.05481	60.3
92.05817	2.2
94.22179	0.7
94.94407	5.4
95.04971	2.2
100.24442	0.6
105.04538	0.8
112.95483	0.9
117.05778	6.7
117.95951	1.4
118.06544	100.0
118.08674	7.8
119.04953	1.0
119.06052	2.9
119.06881	5.3
119.08602	3.0
135.96954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03943	3.3
55.05503	2.4
58.06592	2.3
58.57872	0.6
59.07380	1.5
59.93107	0.9
61.01156	3.5
65.03944	1.7
69.37131	3.6
70.06594	0.8
72.08155	13.8
76.93374	4.5
76.93751	0.6
77.03941	0.8
91.02189	1.1
91.05482	54.9
92.05824	1.2
94.94403	1.7
95.04965	2.2
98.22693	1.4
105.04554	1.2
117.05784	6.9
117.06589	0.8
117.06956	0.7
117.95978	0.8
118.06546	100.0
118.08601	4.0
119.05209	2.6
119.06083	1.5
119.06857	4.9
119.08567	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03952	0.5
55.05513	21.5
55.91766	0.4
56.05833	0.6
57.05816	1.3
58.06603	42.6
59.05008	0.6
59.07385	39.6
60.07704	0.5
60.08171	5.3
69.03427	0.9
69.68131	0.8
69.68523	1.3
70.06573	0.8
72.08157	93.1
73.08486	2.6
83.53717	0.4
87.04476	2.1
91.05487	4.5
94.77406	0.6
100.07607	1.2
118.08658	100.0
118.12283	3.6
119.01836	0.5
119.08990	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03949	0.5
55.05513	13.2
56.05030	0.4
56.96577	0.9
57.05820	1.1
58.06601	44.2
59.05002	0.7
59.07383	40.7
60.07705	0.7
60.08171	3.8
69.03442	0.8
69.87634	0.4
70.06607	0.6
70.79300	0.7
72.08156	59.7
73.02961	0.3
73.08492	2.0
87.04457	2.1
91.05458	2.4
98.97623	0.5
100.07597	0.5
101.18343	0.4
115.61014	0.3
118.08653	100.0
118.12315	2.8
119.01907	0.5
119.08242	0.5
119.09004	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46880	3.6
66.40651	4.6
67.05516	7.1
71.27859	4.6
91.05489	13.7
96.02573	5.4
101.00899	29.7
116.05766	7.7
119.01927	100.0
120.02004	9.4
121.03456	4.8
137.02950	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	6.1
69.71146	14.2
71.65998	3.7
78.93137	3.7
79.05507	3.2
91.05485	40.4
98.22681	6.4
101.00890	30.7
101.03304	3.6
103.02439	5.4
103.05486	4.4
117.07040	3.7
119.01929	100.0
119.06113	4.0
119.08572	7.3
120.02037	9.5
120.04491	3.4
120.05592	9.4
120.08097	4.5
137.02972	41.8
137.62683	3.5
138.03101	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.2
56.05029	7.3
56.96568	31.2
57.03422	6.0
58.06570	3.1
60.04538	18.1
61.02888	3.6
65.03925	6.4
67.05500	3.6
69.03415	3.3
71.01345	8.5
72.08134	6.2
73.00550	2.1
73.02920	35.7
73.08472	14.2
74.06075	18.2
83.01332	4.9
85.02915	2.8
86.01321	2.3
89.00782	2.1
89.02336	2.8
89.75831	2.2
91.05483	61.4
93.07043	4.5
95.04989	2.4
98.01359	2.6
98.97573	13.7
100.02476	4.3
101.00875	20.6
101.02388	8.5
102.00997	2.6
102.05544	5.8
102.09169	18.2
103.02454	5.6
103.05474	12.2
104.01373	2.6
109.02780	2.3
109.06435	2.9
111.04453	2.1
116.05764	4.3
116.98605	4.7
119.01920	100.0
119.03475	8.2
119.04951	5.5
119.06068	5.1
119.08968	2.0
120.02026	7.7
120.05589	5.5
120.08079	11.9
120.10191	5.3
121.03447	2.6
128.98654	3.8
131.01889	2.7
133.03503	2.3
137.02956	50.9
138.03119	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.2
56.05029	7.3
56.96568	31.2
57.03422	6.0
58.06570	3.1
60.04538	18.1
61.02888	3.6
65.03925	6.4
67.05500	3.6
69.03415	3.3
71.01345	8.5
72.08134	6.2
73.00550	2.1
73.02920	35.7
73.08472	14.2
74.06075	18.2
83.01332	4.9
85.02915	2.8
86.01321	2.3
89.00782	2.1
89.02336	2.8
89.75831	2.2
91.05483	61.4
93.07043	4.5
95.04989	2.4
98.01359	2.6
98.97573	13.7
100.02476	4.3
101.00875	20.6
101.02388	8.5
102.00997	2.6
102.05544	5.8
102.09169	18.2
103.02454	5.6
103.05474	12.2
104.01373	2.6
109.02780	2.3
109.06435	2.9
111.04453	2.1
116.05764	4.3
116.98605	4.7
119.01920	100.0
119.03475	8.2
119.04951	5.5
119.06068	5.1
119.08968	2.0
120.02026	7.7
120.05589	5.5
120.08079	11.9
120.10191	5.3
121.03447	2.6
128.98654	3.8
131.01889	2.7
133.03503	2.3
137.02956	50.9
138.03119	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
53.72831	0.5
63.11652	0.5
65.03941	23.9
69.87746	2.2
74.67071	0.5
75.18056	0.5
91.05478	100.0
92.04957	0.6
92.05796	4.7
93.07034	2.2
97.88759	0.5
103.05457	11.0
119.04938	29.0
119.08571	1.7
120.05235	1.1
120.08099	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03951	0.7
65.03943	20.0
65.34463	0.7
66.00023	0.7
66.04272	1.2
70.08410	0.8
70.08754	1.4
84.34535	0.7
91.05483	100.0
92.05791	3.5
93.07053	1.2
103.05473	8.2
117.07023	1.2
119.04092	1.5
119.04947	27.9
119.08595	2.4
120.05289	1.6
120.08119	8.7
127.11224	0.7
135.06752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02381	0.9
52.04682	0.5
53.03944	3.8
53.05099	0.4
65.03940	5.6
66.04263	0.4
66.22386	0.4
67.05482	0.5
69.42133	2.4
77.03920	0.9
78.04714	2.0
79.05492	10.3
81.03425	0.6
87.94553	0.4
88.24564	0.4
88.90237	0.5
91.05479	100.0
92.05799	4.7
93.07043	9.9
95.04967	4.2
96.05290	0.4
102.04676	0.6
103.05465	30.9
104.06259	14.3
105.04525	1.9
105.07096	0.5
109.06541	1.1
115.05448	6.4
117.07021	20.1
118.06552	0.6
118.07370	1.3
119.04967	2.2
119.08576	99.7
120.05655	0.5
120.08097	17.2
120.08921	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.47582	0.7
52.88212	0.6
53.00283	0.6
53.03945	5.1
58.13532	0.5
65.03950	5.2
69.12411	4.1
76.58665	0.6
77.03925	0.9
78.04704	2.1
79.05495	10.2
90.89066	0.7
91.05482	100.0
92.05807	4.6
93.07033	7.4
95.04978	4.6
102.04622	0.6
103.05477	19.8
104.06256	14.6
105.04502	2.7
109.06539	0.8
115.05446	6.6
117.07024	25.0
118.07350	1.5
119.06059	1.9
119.08582	99.5
120.04479	1.0
120.05604	1.7
120.08098	8.1
120.08924	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.59465	2.7
56.05034	6.1
65.03944	17.3
71.28611	2.9
74.06084	5.3
78.09973	3.0
79.05489	8.0
91.05477	18.4
92.04995	4.9
92.05831	4.3
93.04507	6.0
93.07046	20.8
95.04961	5.4
100.13895	2.6
102.09184	6.2
103.05475	81.1
104.05827	4.0
105.04547	3.3
105.07029	4.3
110.06068	3.2
120.04452	5.7
120.05624	30.2
120.07229	5.0
120.08105	100.0
121.02847	10.5
121.03976	7.9
121.06529	7.2
121.07615	5.5
121.08425	4.5
139.01834	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
64.25429	4.8
65.03948	28.2
71.28176	7.6
74.06080	7.9
79.05502	10.0
86.02258	5.3
91.05479	29.0
92.05003	10.0
93.04542	6.9
93.07034	26.8
95.04960	9.1
100.50753	5.1
102.09201	10.5
103.05474	93.4
105.07002	6.6
106.06560	6.8
120.04482	21.2
120.05603	54.7
120.08098	100.0
120.08910	8.4
121.02882	14.4
121.03994	16.6
121.06480	10.9
121.07616	8.4
122.41507	5.1
133.31216	5.7
138.06204	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06281	1.1
53.03949	8.4
56.05037	1.7
56.97083	1.0
58.06605	1.2
65.03933	6.0
66.68565	1.0
69.41948	6.0
69.95652	1.0
74.06065	3.3
76.89543	1.1
77.03905	1.2
79.05483	3.6
80.05006	1.3
81.56377	1.0
91.05482	22.8
92.05012	2.8
92.05817	2.8
93.04510	1.6
93.07045	26.9
94.06544	1.4
95.04982	7.7
98.22636	1.1
102.09166	1.4
103.05472	100.0
104.05809	4.5
105.04530	4.0
105.07008	3.6
118.06571	1.7
119.07340	2.7
120.04484	5.3
120.05605	13.2
120.08111	97.7
121.00878	1.1
121.02908	3.3
121.03986	3.5
121.06522	8.9
121.07645	2.3
121.08456	4.4
121.10155	2.0
139.01814	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03944	6.7
55.01862	0.7
58.00424	0.4
59.91808	0.4
61.68712	0.3
65.03938	2.2
67.05503	0.6
69.73694	1.7
74.06082	0.8
77.03912	1.8
79.05492	3.7
80.05010	1.1
81.03419	1.1
85.22237	0.4
91.04896	0.8
91.05477	16.1
92.04970	0.5
92.05804	1.7
93.07041	20.3
94.06549	0.8
94.07346	0.9
95.04970	6.1
97.53580	0.4
102.04665	1.0
103.05465	100.0
104.05791	5.9
105.04527	3.0
105.07019	5.8
106.07780	0.4
118.06532	2.3
119.07303	1.3
119.08521	0.8
120.08102	96.2
121.02877	1.3
121.03973	0.7
121.06508	4.2
121.08424	6.0
121.10126	3.6
123.08071	0.7
135.97588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
52.75946	2.3
53.03958	18.3
54.68801	2.4
55.05499	8.6
65.03934	7.3
67.05508	6.0
71.29591	2.9
71.29939	3.5
72.38351	3.3
79.05071	4.2
79.05498	68.6
80.05013	7.3
81.04562	4.1
81.07050	4.8
83.93805	2.6
91.05485	68.4
93.05790	5.8
93.07046	100.0
94.06550	7.4
94.07382	5.6
95.04977	23.0
96.04523	2.5
98.18459	2.6
103.05464	18.1
104.04956	4.6
105.04494	8.7
105.07034	67.3
106.06568	2.7
106.07796	8.0
107.07325	24.4
110.06055	3.4
111.04367	2.7
119.08545	7.5
120.81605	2.7
121.02851	6.4
121.04008	7.2
121.06532	7.3
121.07617	7.1
121.10143	25.9
122.06052	23.3
122.09671	56.8
123.08062	5.6
133.07616	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03946	11.2
55.01874	1.2
55.05502	1.7
65.03929	3.6
67.05495	2.5
70.45438	1.2
75.10016	0.5
77.03930	1.9
78.04717	1.3
79.05492	43.9
80.05019	2.0
80.05820	1.8
81.03426	1.7
81.04535	1.6
81.07058	1.5
91.05476	25.2
92.05801	1.4
93.03381	0.8
93.07039	25.1
93.65906	0.5
94.06564	1.8
94.07344	0.7
95.04968	11.0
99.14401	0.6
103.04786	1.2
103.05467	22.3
104.05055	1.1
104.05794	3.5
105.04530	5.5
105.07025	100.0
106.04833	0.9
106.06605	1.2
106.07295	3.0
106.07942	5.3
107.04953	22.9
107.07327	13.0
107.08026	1.0
110.06030	0.7
117.07039	0.6
119.08570	13.6
120.08899	0.9
121.02897	3.7
121.03961	2.0
121.06506	23.1
121.08403	2.7
121.10136	41.7
122.06038	5.8
122.07311	5.0
122.09665	15.4
122.10471	2.3
123.08062	8.0
133.07600	7.0
138.06787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
51.30196	0.4
55.01875	1.9
63.77896	0.4
65.03947	14.4
66.04729	75.2
67.05066	2.7
67.05458	0.5
69.46406	1.6
75.97423	0.4
79.01855	0.5
79.05508	1.7
80.05025	3.7
81.04550	1.0
81.07062	2.9
93.03419	2.1
93.05802	1.2
94.04195	100.0
94.06587	1.4
95.04511	4.6
95.05009	0.5
95.08603	1.0
96.04515	0.7
99.48377	0.4
103.05473	0.4
104.04960	0.6
105.07054	2.6
107.07339	6.3
110.06063	0.6
112.04026	0.5
120.78148	0.4
122.03655	7.8
122.06035	4.5
122.06966	0.8
122.09679	12.2
123.05550	5.1
123.08092	0.5
123.09190	0.9
123.09986	0.6
123.11714	0.5
127.77924	0.4
139.05048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
51.02367	0.8
52.92332	0.8
53.03938	7.4
55.01852	1.9
55.05512	22.2
56.05854	1.2
57.07080	2.6
65.03944	5.0
66.04724	1.0
67.05505	100.0
68.05031	1.4
68.05832	4.0
69.03424	2.0
69.07051	1.9
71.29994	1.2
72.72634	0.8
79.05490	20.8
80.05017	9.5
80.05812	1.1
80.06271	2.8
81.03415	4.7
81.05795	4.4
81.07056	47.7
82.06573	1.7
82.07359	1.9
91.05485	5.7
93.07047	19.2
95.04968	13.4
95.08605	87.5
96.04483	6.5
96.08137	8.1
96.08910	6.1
101.00887	3.7
103.05452	2.0
105.04530	1.6
105.07037	9.9
106.06564	2.1
106.07302	1.6
107.04960	3.3
108.05743	24.4
108.07684	2.1
112.03942	3.4
115.18805	0.8
119.01930	20.4
121.06512	3.4
123.04455	2.2
123.05556	9.9
123.08068	60.3
123.09992	3.0
123.11700	9.5
124.03957	21.1
124.07579	7.3
124.08430	5.0
124.12071	1.3
137.02982	6.2
140.03432	2.2
140.47182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	6.4
55.01875	1.4
55.05513	17.2
57.07069	1.3
57.61618	0.7
58.98201	0.8
65.03944	3.4
66.52063	0.6
67.05507	70.0
68.05046	1.2
68.05833	3.1
69.03424	1.8
71.29421	1.3
73.02449	0.6
77.03928	1.3
78.03426	1.1
79.05494	17.2
80.05019	10.6
80.05825	1.1
80.06279	2.9
81.03416	3.3
81.06580	1.5
81.07059	28.9
82.07390	1.6
84.72695	0.7
91.05474	3.2
93.07047	14.1
95.04973	29.8
95.08609	63.3
96.04501	6.9
96.05145	1.1
96.08945	2.1
98.74598	0.7
100.02483	1.5
101.00879	6.6
103.05465	2.1
105.04519	2.6
105.07039	15.2
106.07341	1.7
107.04961	8.7
108.05740	46.9
108.07651	3.8
109.06066	2.4
112.03970	4.6
119.01921	37.7
121.06495	7.4
123.04455	4.2
123.05564	14.6
123.08072	100.0
123.09998	2.9
123.11654	4.9
124.03960	21.8
124.05909	1.3
124.07579	1.8
124.08418	6.4
125.05979	0.8
137.02965	14.4
140.03421	2.3
142.03517	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	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03945	2.7
55.05503	5.0
56.17468	0.7
57.07080	5.8
60.63124	0.7
65.03951	0.7
67.05502	15.4
68.05840	0.9
69.07063	3.1
69.37873	2.3
69.38306	2.7
72.32820	0.9
79.05063	1.3
79.05490	16.4
80.05017	2.9
80.05822	0.7
80.18014	0.8
81.07058	100.0
82.07391	3.3
92.55103	0.8
93.07037	2.5
95.04965	1.7
95.08050	1.3
95.08614	17.4
96.04514	1.9
96.09007	0.8
98.93951	0.9
99.20383	0.8
101.00902	3.6
105.04512	1.1
108.05740	0.9
108.09351	0.9
119.01925	12.5
121.10163	1.6
123.04481	1.5
123.05558	3.8
123.08067	5.4
123.09177	0.9
123.10033	2.4
123.11706	23.8
123.12563	1.4
124.03947	7.0
124.12070	2.1
137.02982	3.2
142.03458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39151	0.5
53.00640	0.5
53.03945	2.9
55.01870	0.7
55.05518	5.4
57.03424	0.6
57.07080	5.0
57.26995	0.5
65.03938	1.4
67.05508	17.0
68.05032	0.5
69.02306	4.9
69.03444	0.5
69.07069	3.0
69.58926	0.5
70.50163	0.5
72.65650	0.6
78.03446	1.0
79.05492	17.0
80.05011	6.6
80.05801	0.6
81.07055	100.0
82.07387	4.0
88.68505	0.5
89.74942	0.5
91.05465	0.8
93.07037	3.0
94.07836	0.7
95.01260	0.5
95.04967	2.0
95.06070	0.8
95.08608	17.0
96.04501	5.5
96.08977	0.7
100.02530	0.8
101.00871	4.5
105.07024	1.0
107.04987	0.9
108.05746	2.8
108.07663	0.7
108.09377	0.7
112.03949	4.2
119.01922	22.9
121.06543	0.5
121.10157	1.3
123.04545	1.0
123.05559	6.4
123.06356	0.8
123.08070	9.1
123.10014	0.7
123.10808	0.9
123.11699	16.3
124.03950	15.8
124.05911	0.6
124.07577	1.2
124.08393	0.6
124.12022	0.9
137.02959	10.5
140.03421	2.1
142.03522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36790	0.2
60.00624	0.3
70.09901	0.4
82.01442	0.2
82.99839	3.8
83.00298	0.3
83.99930	0.2
91.69897	0.1
100.02473	0.6
101.00880	37.2
102.00945	2.6
102.02229	0.3
110.34426	0.2
111.00416	0.2
117.48291	0.2
119.01919	100.0
120.01995	6.9
120.03259	0.3
121.02356	0.4
122.16136	0.1
124.02447	0.6
137.02951	24.4
138.03030	2.2
139.03349	0.2
142.03491	3.8
143.03607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99871	0.3
60.00608	0.2
60.41849	0.1
65.89941	0.1
68.96097	0.2
70.51709	0.3
70.52052	0.2
73.23657	0.1
76.45371	0.1
81.05334	0.2
82.01459	0.3
82.99838	3.2
83.00296	0.3
83.99937	0.2
95.30919	0.2
100.02484	0.7
101.00881	32.9
102.00938	2.2
102.02232	0.2
102.85152	0.1
111.00471	0.3
114.01645	0.1
118.03457	0.2
119.01920	100.0
120.01997	8.4
121.02346	0.3
124.02464	0.5
124.03966	0.3
124.05912	0.4
137.02956	26.4
138.03043	2.3
139.03362	0.1
142.03499	3.7
143.03636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78038	0.2
58.99860	0.2
69.03429	0.4
69.71805	0.6
70.25085	0.2
70.99857	0.5
75.27874	0.2
77.00899	0.2
79.01865	0.2
80.05006	0.4
82.01448	0.2
82.99834	2.8
83.01551	0.2
84.34282	0.2
96.04507	0.4
97.02879	0.3
98.23266	0.2
100.02474	0.7
101.00882	36.7
102.00944	2.5
102.02261	0.4
118.03521	0.4
119.01921	100.0
120.01999	7.9
120.03187	0.3
121.02357	0.4
124.02441	0.7
124.03961	1.4
137.02954	25.4
138.03041	2.2
142.03496	3.8
143.03613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.01601	1.7
51.02381	4.8
53.00314	0.6
53.03948	1.2
55.01874	1.6
55.05519	0.4
56.96567	0.5
59.05003	6.7
68.99789	0.7
69.03427	100.0
69.29917	2.4
70.03762	2.7
71.01337	2.2
79.01852	37.8
80.02187	1.6
80.05016	0.7
83.01330	0.4
83.99929	0.5
84.08138	0.4
84.96041	1.0
90.29855	0.3
97.02888	64.9
98.03218	2.8
101.00857	0.9
102.00946	3.0
103.00636	2.1
107.00700	0.3
107.01307	1.8
108.04459	1.5
119.01956	1.9
120.01998	10.7
121.01661	6.6
125.02354	7.8
125.04321	0.8
125.07178	0.4
126.05498	1.6
126.06593	0.8
126.09167	0.4
127.44959	0.3
137.02921	0.6
138.03050	2.6
139.02704	1.6
143.03642	0.7
144.03186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
53.03946	26.6
55.01878	10.8
55.05510	10.4
56.05033	2.7
57.03430	2.6
58.06600	2.5
60.87069	2.2
65.03937	3.3
67.01854	8.7
67.04249	4.2
68.05009	2.9
69.03428	38.9
70.06594	4.0
71.04995	14.5
71.28815	3.6
72.12781	2.3
80.05006	6.2
81.03416	38.2
81.03863	3.6
81.04483	2.0
81.07049	7.0
82.06582	63.4
83.01328	3.8
83.04977	3.9
85.02910	8.4
85.05170	2.7
85.14269	2.3
85.76219	2.2
86.06075	3.9
97.02890	10.5
98.98486	2.9
99.04457	13.7
100.07604	10.2
109.02876	26.5
109.04829	4.3
110.06033	9.9
110.08422	2.5
127.03918	100.0
127.05885	8.9
127.07357	6.5
128.03421	5.3
128.04268	3.6
128.06207	3.7
128.07083	31.9
128.10728	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00308	3.1
53.03951	38.0
55.01870	11.9
55.05508	12.7
56.05029	3.8
57.03441	8.6
57.29924	3.1
67.01871	27.6
67.04248	3.4
68.05033	3.1
69.03432	56.3
69.07055	3.1
69.73728	7.5
69.74126	4.7
70.06583	3.5
71.01363	3.7
71.04990	19.7
72.04519	4.7
76.89095	3.0
80.05021	6.6
81.03423	64.4
81.07054	9.9
82.06585	63.1
83.01350	7.7
84.08137	4.3
85.02920	18.6
85.06542	3.5
86.06078	4.8
86.67917	2.9
97.02911	17.6
98.22662	3.9
99.04464	16.7
100.07613	13.6
109.02885	50.1
109.04896	3.2
110.00886	2.9
110.03190	6.1
110.06057	10.5
110.09644	5.2
127.03925	100.0
127.04929	4.9
127.05869	9.6
127.07310	6.8
128.03447	5.9
128.07085	38.9
128.10716	12.3
139.72456	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	127.0504
Annotation	Thymine
Peak:m/z	Relative Intensity
53.03951	2.1
54.03471	9.6
55.01876	1.4
55.03813	0.4
55.05521	0.8
56.05037	9.3
62.97318	0.3
64.18931	0.4
69.03428	7.8
70.02895	0.6
70.03281	0.7
71.04989	0.8
80.05035	0.3
81.03407	3.2
81.04545	2.9
82.02943	12.8
82.06574	2.4
83.01346	0.6
83.03278	0.4
83.06123	0.4
84.04504	25.9
84.08141	0.3
85.02900	0.5
85.04810	0.7
88.41494	0.3
97.02900	1.0
99.04478	0.7
100.07590	0.7
109.02903	3.7
109.04002	23.0
110.02402	76.8
111.02737	3.0
117.43665	0.4
127.03977	7.9
127.05031	100.0
128.04625	0.4
128.05421	3.2
128.07077	1.3
128.10738	0.4
128.33275	0.4
143.33321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
58.99863	0.3
60.00643	0.3
60.04511	0.2
67.99897	6.1
68.98318	0.2
68.99979	0.5
69.03441	0.2
69.07070	0.3
69.25388	0.5
69.25797	0.7
76.26257	0.2
82.01440	0.2
82.06592	2.0
82.99841	1.5
83.08637	0.2
84.08145	0.4
86.00937	19.1
86.06100	0.2
86.99370	0.2
87.01012	1.2
95.05001	0.2
100.02500	1.3
100.07645	0.6
101.00885	20.8
102.00932	1.5
103.02441	0.4
104.01976	40.6
105.00370	0.6
105.01073	1.5
105.02048	2.9
109.02516	0.2
110.00905	0.2
110.06062	0.5
111.04453	0.3
118.03531	3.2
118.52432	0.2
119.01927	100.0
120.02013	7.3
121.01645	0.5
121.02450	0.4
121.03472	0.3
122.03011	25.0
123.02114	9.3
123.03084	1.7
124.02453	0.4
127.03555	0.9
128.01945	0.8
128.04324	0.4
128.07063	1.0
136.04576	2.5
137.02962	42.9
138.03052	3.2
138.57434	0.2
139.03458	0.3
140.03076	0.4
141.03110	4.5
142.03494	1.7
143.03755	0.2
145.04597	0.5
146.02971	7.5
147.03091	0.9
147.05046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
55.93523	0.4
59.22652	0.3
60.00630	0.3
65.03919	0.4
67.04243	0.5
67.93562	0.3
67.99895	5.7
68.99990	0.3
69.03451	0.3
71.28573	0.3
73.55317	0.3
76.99925	0.3
80.05016	0.7
82.06578	3.9
82.99828	1.5
83.04990	0.4
83.08614	0.3
84.08176	0.4
86.00931	20.3
86.06063	0.4
86.99319	0.3
87.01004	1.3
97.00980	0.3
100.02485	1.2
100.07638	0.6
100.84697	0.3
101.00877	19.5
102.00925	1.4
103.02428	0.4
104.01968	39.4
105.00403	0.6
105.01015	1.7
105.02029	2.6
107.20029	0.3
110.06036	0.7
111.04409	0.4
112.11186	0.6
114.44075	0.3
118.03519	3.3
118.83659	0.3
119.01917	100.0
120.01997	7.9
121.01614	0.4
122.02092	1.6
122.03004	24.1
123.01222	0.4
123.02088	8.5
123.03059	2.1
124.02392	0.4
127.03545	0.7
128.01910	0.9
128.03455	0.5
128.04321	0.4
128.07082	2.8
136.04559	2.2
137.02951	44.3
138.03055	3.9
140.03055	0.7
141.03125	4.0
142.03487	2.3
145.04591	0.6
146.02956	7.6
147.03172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.1071
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.07433	2.5
54.03467	12.0
55.01873	29.1
55.05515	14.2
55.93521	3.3
56.05044	3.3
57.03448	4.0
57.06797	3.9
57.07075	68.4
58.02958	13.0
58.06607	4.6
65.03962	3.7
67.04250	4.2
67.05531	3.4
69.07062	6.8
70.02579	12.7
70.06594	3.8
70.78401	3.4
72.04517	100.0
72.08139	4.2
80.05019	9.3
82.06580	73.1
83.04965	3.9
83.06111	4.0
83.08638	5.4
83.16571	3.2
84.08135	15.8
86.06066	90.6
86.09708	68.7
100.07623	10.7
110.06055	11.6
111.04465	3.3
112.07571	2.8
112.11230	13.8
114.89207	3.3
128.03424	10.4
128.04280	4.9
128.06203	32.1
128.07095	31.1
128.10716	66.3
129.07024	6.4
129.11102	3.1
149.19380	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	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03950	1.6
56.05045	1.0
56.05270	0.2
57.07068	1.0
60.05670	0.3
60.21367	0.2
60.57381	0.2
67.05495	0.4
69.03430	11.7
69.07063	0.9
69.58630	1.1
70.03750	0.2
70.06583	0.8
71.04987	1.1
71.92984	0.4
72.93803	0.4
74.09708	0.6
74.40751	0.2
77.03920	0.7
77.07030	0.2
82.06570	0.8
84.04503	4.8
84.08143	12.4
85.04847	0.3
85.08475	0.7
88.07626	0.4
88.29124	0.2
89.96771	0.2
94.05418	0.2
94.06551	0.4
95.04961	2.2
99.37263	0.2
102.04693	0.7
103.05468	14.9
104.05809	0.6
105.04500	1.0
112.07606	23.1
113.07967	1.2
113.11585	0.5
128.04982	2.2
130.06528	100.0
130.15923	1.0
131.06111	0.3
131.06863	6.3
146.06039	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	130.0865
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05507	0.3
56.05038	4.2
56.96573	0.2
60.05650	1.4
67.05515	0.6
69.61521	0.2
69.61938	0.3
70.06593	2.7
71.04996	2.7
71.06899	0.1
72.08165	0.2
80.39792	0.1
82.06599	0.1
84.04512	1.5
84.08146	100.0
85.06537	0.1
85.07931	0.2
85.08473	4.1
88.00692	0.1
88.07610	0.2
100.02464	0.1
103.00671	0.2
106.01781	0.2
111.64619	0.1
112.07607	0.4
121.01703	0.4
124.97557	0.2
130.06625	0.5
130.08653	9.3
130.09726	0.7
131.08989	0.5
133.98088	0.3
136.48341	0.1
137.50014	0.1
139.02682	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
57.07076	100.0
58.07407	4.0
65.96071	1.5
69.03432	2.5
69.15903	1.4
69.91762	1.3
70.46104	2.7
70.46475	3.2
72.08150	2.6
74.09721	52.0
75.10063	1.9
82.74688	1.4
84.04507	1.7
84.08176	2.8
90.59472	1.2
91.05476	1.6
102.03716	2.1
103.05466	2.0
112.07599	5.3
130.06538	11.5
130.08554	1.9
130.15916	94.0
131.16217	7.4
131.44196	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03716	0.3
53.03949	3.7
56.96556	0.3
58.07405	0.2
69.03415	0.3
70.03767	0.5
70.23785	0.2
70.58243	0.5
71.93004	0.6
72.93801	1.0
77.03897	1.0
81.03397	0.2
85.08453	0.3
86.01721	0.2
86.09716	1.1
87.04432	0.2
89.94077	0.3
90.90380	2.1
90.94829	0.6
91.05486	0.5
95.04968	4.6
96.05279	0.3
102.04668	1.1
103.05467	100.0
104.05797	6.5
105.04508	2.1
108.91423	0.3
113.07917	1.0
117.05772	0.3
125.96138	0.3
130.06555	0.2
131.04935	8.4
131.06000	0.5
131.06862	1.1
131.08571	0.3
131.16228	0.3
132.04381	0.2
132.05252	0.6
132.08089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03948	4.0
55.01873	0.3
69.96719	0.6
72.93782	0.2
77.03926	0.9
81.03412	0.5
86.09705	0.2
90.90395	0.3
95.04970	4.4
102.04692	1.1
103.05470	100.0
104.05107	0.3
104.05804	5.8
105.04527	2.2
107.26753	0.2
107.92062	0.2
113.07943	0.4
131.04932	8.6
132.05255	0.8
132.08037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03941	1.1
55.07972	0.4
55.95018	0.3
56.00922	0.4
56.96657	0.3
65.03934	1.3
71.30148	0.4
71.40688	0.4
91.05478	100.0
92.05811	5.1
103.05457	2.8
105.07034	0.7
115.05459	7.2
116.06239	23.4
117.05784	0.8
117.06593	1.2
128.06239	1.8
129.06012	0.5
129.07002	13.9
130.07350	1.2
131.06906	2.2
131.08563	72.9
132.04501	0.4
132.08047	1.2
132.08904	5.3
133.06490	0.6
143.06029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03945	1.1
54.03472	0.5
61.68224	0.4
66.97118	0.5
69.07067	0.9
70.09505	1.6
72.93791	5.2
79.05495	2.1
85.77995	0.5
86.09696	4.1
90.90381	5.4
90.94834	2.7
91.05488	4.2
93.05796	1.2
95.04980	1.0
97.91701	0.6
103.05463	2.0
104.05006	4.8
104.05708	0.8
105.04518	0.8
105.07030	15.8
106.06541	0.4
108.95859	0.7
115.05458	21.7
116.05765	1.1
117.05762	65.4
118.06096	3.4
124.16198	0.5
130.06535	8.4
131.07343	6.4
132.04462	6.2
132.08093	100.0
133.06572	3.0
133.07600	0.9
133.08437	6.4
133.10103	1.1
135.22430	0.5
136.50839	0.5
143.06058	1.9
144.53285	0.5
150.96924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	1.9
57.03427	1.7
58.06599	17.9
58.99595	1.3
59.07378	8.9
59.40323	1.0
60.04538	1.4
60.05641	3.3
60.08165	6.7
61.01154	7.1
61.02967	1.0
69.07069	8.2
72.04512	1.5
72.05625	2.8
73.02921	8.1
73.06564	1.7
73.08498	1.4
74.02452	1.0
86.06072	1.5
86.09705	100.0
87.02689	10.3
87.04496	1.5
87.05624	1.4
87.10031	5.0
90.05560	9.7
90.44700	1.0
102.42648	1.0
114.06709	1.2
118.45893	1.0
132.07640	5.0
132.10205	72.9
133.03241	2.2
133.10545	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.54914	1.2
63.71566	1.1
69.07055	2.6
70.66424	2.4
83.34036	1.1
86.09709	100.0
87.10049	3.8
89.17035	1.1
95.27732	1.2
126.26394	1.2
151.09723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	THTC
Peak:m/z	Relative Intensity
50.54998	0.2
51.02388	0.2
53.03948	3.2
53.80534	0.2
54.04282	0.2
55.01868	0.3
55.05526	0.3
56.05038	0.3
57.03435	6.2
57.98790	0.2
58.06612	0.3
58.99586	14.2
59.96728	3.5
59.99920	0.2
61.01149	86.7
62.01099	0.5
62.01481	1.2
69.03423	0.4
69.07078	1.1
69.31864	0.7
69.32269	0.4
70.06590	1.2
70.07399	3.4
70.07739	0.3
70.99582	0.6
71.01345	0.3
72.00356	4.5
72.08155	2.1
73.02902	0.2
74.02443	0.8
74.06091	0.3
74.98636	0.2
74.99063	5.5
75.02699	4.2
77.00626	5.6
79.05486	0.4
83.01331	0.3
85.01130	10.3
85.02903	10.4
85.06515	0.2
86.01450	0.3
86.03252	0.3
86.09708	2.9
86.99059	0.8
87.02691	100.0
87.09446	0.8
87.10030	14.2
88.02618	0.3
88.03036	3.0
88.10338	0.2
89.04243	0.9
90.09183	1.4
91.02179	3.0
91.05484	0.3
98.09660	0.3
105.00087	5.6
105.03747	2.6
105.07027	1.2
115.02164	0.8
119.01942	0.5
133.03186	18.0
133.07628	0.6
133.10135	0.2
134.03551	0.8
134.05998	0.8
134.06966	0.2
134.11754	3.0
142.03543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39854	0.4
53.03944	5.2
55.89214	0.4
56.05035	1.1
57.03439	5.7
58.06589	2.3
58.99589	14.6
59.96730	4.1
60.07719	0.6
61.01151	86.7
62.01112	0.6
62.01488	1.3
69.59728	2.2
70.02965	0.8
70.06591	3.9
70.99602	0.5
71.04997	0.5
72.00364	4.5
72.08158	9.1
73.02901	0.6
74.02440	18.7
74.06090	1.5
74.99064	4.9
75.02710	5.6
77.00630	6.9
79.05503	1.1
85.01129	9.5
85.01648	0.5
85.02905	11.2
85.06550	0.9
86.99072	1.1
87.02693	100.0
87.05551	0.7
87.10051	0.6
88.02213	4.2
88.03089	2.6
88.03991	10.2
88.07642	1.9
89.04250	1.3
90.09203	5.8
91.02184	3.8
98.09712	0.8
105.00102	6.1
105.03722	3.0
105.07037	2.6
106.06596	0.7
115.02176	0.7
116.03480	0.7
133.03192	18.2
133.06534	0.9
133.07622	1.9
133.10585	5.5
134.03580	1.0
134.06010	1.7
134.07077	0.6
134.11761	15.5
144.28259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
51.02369	0.9
53.03946	6.3
55.01862	2.0
55.05495	2.8
57.03197	0.7
57.03438	9.8
59.04993	0.8
61.01156	0.9
65.03927	1.8
67.05511	0.9
69.03431	20.2
71.30314	1.1
73.02870	0.7
75.04467	2.6
77.03919	2.5
79.05494	29.3
79.35131	0.6
81.03416	0.7
85.02903	13.7
87.04470	3.6
91.05482	22.6
92.05785	0.7
93.07044	4.1
95.04964	6.3
97.02903	2.9
98.54752	0.6
102.08618	0.6
103.05470	14.3
104.05108	0.7
104.05766	0.7
105.04524	2.6
105.07030	100.0
106.06613	1.3
106.07370	4.8
115.05454	6.7
116.06261	1.1
117.07034	6.6
118.04161	1.2
118.07816	5.3
124.78269	0.7
131.08566	6.9
133.06500	57.4
133.10127	45.0
134.05998	2.2
134.06897	3.3
134.09554	0.9
134.10451	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	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03942	3.0
55.01874	3.2
65.03917	0.7
66.42250	0.5
69.27568	1.4
69.27975	2.1
71.50745	0.5
77.03943	0.9
79.05493	18.8
80.92554	0.5
91.05484	3.5
92.90079	1.7
95.04972	2.8
103.05464	11.3
105.07030	100.0
106.06553	2.2
106.07356	4.6
107.04956	1.7
115.05484	5.1
120.56593	0.6
131.04921	1.8
131.08572	0.6
131.37177	0.5
133.06493	72.3
133.10144	2.3
134.05969	2.3
134.06862	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05508	3.0
65.03927	1.1
67.05496	1.0
70.65509	0.9
73.74197	0.4
77.03904	0.4
79.05487	9.6
80.05841	0.5
80.91415	0.4
91.05476	25.8
92.05795	0.8
93.07040	6.3
95.04965	1.8
103.05460	5.7
104.06306	0.4
105.04506	1.0
105.07025	64.3
106.06599	0.6
106.07355	2.7
107.08585	1.5
115.05444	9.0
116.06227	1.5
117.07008	11.9
118.07819	9.7
129.06975	0.7
131.08559	7.7
132.08887	0.5
133.06525	1.2
133.10123	100.0
134.06001	0.6
134.09534	0.8
134.10466	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02372	0.6
52.88470	0.6
53.03943	2.3
55.01893	0.5
55.05504	3.9
55.18023	0.5
65.03959	1.3
67.05502	1.5
67.76131	0.5
69.03905	5.2
72.59887	0.5
77.03937	0.9
79.05495	10.3
79.05956	0.6
80.05852	0.6
86.42158	0.5
91.05479	30.4
92.05803	1.9
92.06308	0.7
93.07048	7.3
93.95705	0.5
95.04980	2.0
101.93922	0.6
103.05469	5.9
104.51030	0.5
105.04549	1.3
105.07030	78.1
106.06687	0.9
106.07349	4.6
107.08589	2.3
115.05451	9.8
116.06242	2.3
117.07021	12.3
118.07816	11.9
119.08143	0.6
120.67664	0.7
131.08563	10.7
132.08879	0.6
133.06520	1.8
133.10127	100.0
134.06020	1.3
134.10457	7.6
139.43555	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.60945	0.4
54.02572	0.4
55.05508	3.0
56.54075	0.4
61.01170	0.5
65.03939	1.7
67.05504	1.3
69.73456	0.4
69.85332	0.3
70.60917	0.6
70.61258	0.9
77.03917	1.1
78.04707	0.5
79.05485	10.9
91.05476	32.0
92.05816	1.7
93.07045	7.1
94.68661	0.4
95.04961	2.0
103.05471	6.2
105.04537	1.0
105.07024	73.8
106.06619	0.7
106.07333	4.5
107.08582	1.7
115.05445	10.1
116.06223	1.6
117.07023	10.7
118.07803	10.6
119.08114	0.6
129.07001	0.8
131.07588	0.5
131.08563	9.5
133.06477	2.1
133.10121	100.0
134.05988	1.6
134.09543	0.5
134.10463	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02381	0.5
53.03948	2.5
54.53958	0.4
55.05514	2.9
56.64962	0.4
65.03942	1.0
67.05508	1.2
69.03414	0.5
69.31943	1.1
69.32352	1.9
77.03935	0.8
79.05495	17.4
80.05836	0.8
82.42339	0.4
89.21981	0.3
91.05483	29.1
92.05809	1.4
93.07044	6.8
95.04964	3.0
103.05471	8.8
105.04522	1.4
105.07032	83.4
106.07358	5.0
106.34339	0.4
107.08607	1.9
115.05458	10.4
116.06297	2.7
117.07026	12.0
118.07816	11.9
119.08100	0.7
129.07056	0.9
131.08562	8.9
132.08932	0.6
133.06531	3.7
133.10130	100.0
134.06958	0.5
134.10471	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02375	0.3
53.03943	1.8
55.05511	3.1
56.90045	0.2
64.93903	0.2
65.03931	1.0
67.05490	0.8
69.03421	0.5
70.61248	0.5
77.03922	0.7
79.05492	10.2
80.05820	0.5
91.05478	26.9
92.05790	1.3
92.06299	0.3
93.07047	6.8
95.04977	2.2
101.67185	0.2
103.05464	5.0
104.06305	0.3
105.04513	0.8
105.07027	63.1
106.07359	3.9
107.08595	2.1
114.68922	0.2
115.05450	8.5
116.06296	1.5
117.07021	11.9
118.07816	10.8
119.08113	0.6
122.00767	0.2
129.07031	1.1
131.08566	8.9
132.08922	0.6
133.10124	100.0
134.10469	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.7
53.03947	2.5
55.05514	3.0
57.18653	0.6
59.37111	0.5
65.03947	1.1
67.05510	0.9
69.15273	4.2
69.66753	0.5
79.05490	9.3
79.05913	0.8
91.05482	28.1
92.06284	0.9
92.90022	0.6
93.07046	7.4
95.04957	2.3
103.05478	6.3
105.07033	64.1
106.06662	0.8
106.07330	3.0
107.08588	1.7
112.79594	0.5
115.04283	0.5
115.05454	8.7
116.06219	1.9
117.07019	11.5
118.07830	12.0
119.08159	0.6
119.34725	0.6
129.06960	1.1
131.08566	8.8
132.08896	0.6
133.07611	1.9
133.10130	100.0
134.05988	1.6
134.09583	0.6
134.10466	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	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03944	4.7
63.02382	4.1
65.37830	1.0
69.54362	1.9
69.54757	2.5
77.03918	0.9
77.26119	0.9
79.05497	14.4
81.03416	1.0
89.03915	100.0
90.04253	4.8
95.04965	6.5
98.23321	1.9
105.04491	2.4
105.38103	0.8
107.04953	16.9
108.05260	1.0
116.20673	0.9
117.03377	31.1
118.03673	2.1
119.46680	1.1
133.66156	0.8
135.04410	50.2
136.02170	3.1
136.04745	2.1
136.06172	4.0
145.03970	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	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02372	1.5
53.03950	6.8
55.01842	1.1
58.30677	0.9
63.02349	4.6
65.03948	1.3
69.22398	7.5
70.74419	0.8
77.03918	2.7
79.05072	1.7
79.05496	22.8
89.03918	100.0
90.04250	5.1
91.05479	46.4
93.07050	1.5
95.04964	9.1
102.86241	1.0
105.04514	3.8
105.07035	1.3
107.04958	27.8
107.08612	2.8
109.01074	2.7
117.03378	32.0
118.03697	2.1
119.03521	3.2
119.04916	7.1
119.08568	2.0
135.04417	57.0
135.08051	1.9
136.02170	25.5
136.04762	2.9
136.06184	21.8
136.07547	5.2
137.04607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	1.1
53.03712	1.0
53.03947	10.0
55.01876	1.2
55.05509	9.1
57.07070	1.5
65.03940	6.5
67.05495	2.8
69.07063	3.6
69.38377	3.2
72.91794	0.7
74.77497	0.8
77.03937	1.8
77.14178	0.7
78.04675	0.7
79.05494	27.9
80.05813	1.1
81.03400	1.1
81.07052	2.5
81.26938	0.7
81.96568	0.8
89.03905	1.3
91.05479	83.2
92.05807	3.7
93.07041	48.0
94.04034	0.9
94.07334	1.2
94.07856	1.4
95.04967	10.1
95.08604	1.3
103.05458	2.7
104.06248	1.4
105.04530	4.5
105.07029	34.1
106.04195	1.2
106.07276	1.1
107.04943	10.6
107.08591	100.0
108.05273	0.8
108.08936	5.7
109.01088	3.0
109.06519	11.2
115.05464	1.9
117.07020	4.1
119.03544	1.9
119.04924	1.3
119.06083	7.4
119.08575	20.8
120.09408	6.9
124.05226	1.0
133.10135	1.3
135.04381	2.0
135.08069	8.4
135.11690	26.1
136.02159	28.0
136.05118	1.1
136.06172	17.9
136.07556	1.6
136.08440	0.8
136.12004	2.2
137.09592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02353	1.1
53.03949	8.4
55.01871	1.8
55.05512	6.1
63.39431	1.1
65.03948	2.3
67.05506	18.2
69.07067	4.2
70.19432	3.5
79.05495	39.2
80.05012	1.5
80.05811	2.2
81.07056	19.0
91.05482	16.1
92.05798	1.3
93.05780	2.1
93.07043	46.3
94.04037	1.5
94.07360	2.1
95.04966	6.7
98.22572	1.2
105.04506	2.7
105.07029	4.3
107.04957	6.4
107.08600	27.3
108.08924	1.9
109.01095	11.4
109.06555	1.4
119.03516	5.5
121.08816	1.6
133.10098	1.3
135.05540	1.9
135.08051	2.5
135.09113	1.5
135.11703	25.4
136.02164	100.0
136.06181	47.1
136.07353	1.9
136.11200	4.1
136.12103	1.7
137.04564	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10254	0.1
65.03947	0.5
66.22528	0.1
67.02991	0.6
69.19923	0.1
69.85975	0.5
79.05447	0.1
81.07046	0.1
82.04045	0.2
91.05480	9.7
92.02489	0.8
94.04053	4.2
95.04403	0.1
109.05137	0.8
109.06503	0.3
112.05083	0.4
113.00884	0.1
119.03553	13.3
119.04865	3.0
120.03931	0.4
131.01901	0.5
136.06184	100.0
137.04597	7.0
137.05838	1.5
137.06561	2.2
138.04976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47746	0.2
65.03947	0.2
67.02989	0.7
68.48620	0.2
70.45513	0.2
70.77937	0.2
70.78269	0.3
77.48460	0.2
78.24873	0.2
91.05485	2.4
92.02493	0.9
94.04053	4.8
102.19579	0.2
105.12008	0.2
109.01122	0.2
109.05135	0.7
112.05064	0.2
119.03548	14.3
119.04943	0.7
120.03877	0.5
131.01920	0.3
136.02200	1.5
136.06183	100.0
137.04597	6.8
137.06648	3.2
138.05006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.49083	0.2
57.26093	0.2
61.16515	0.3
64.57305	0.2
67.02994	0.6
70.94177	0.4
70.94501	0.3
78.73760	0.2
82.04107	0.3
84.64711	0.2
84.65308	0.3
88.18358	0.2
91.05476	0.4
91.65073	0.2
92.02480	0.7
94.04051	4.8
96.50378	0.2
108.11897	0.2
109.05116	0.7
119.03553	14.6
120.03892	0.6
127.25611	0.2
129.57315	0.3
133.26237	0.2
136.02179	1.0
136.06186	100.0
137.04593	6.4
137.06647	2.7
150.74748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.02379	0.4
53.03939	1.0
54.04270	0.4
55.01870	0.6
62.50415	0.3
63.86585	0.3
65.03938	2.6
67.05503	1.5
69.16252	2.9
79.05482	1.6
80.05029	0.3
80.05827	0.6
81.03403	0.5
81.07058	1.7
90.04250	1.4
91.05477	100.0
92.05807	6.0
93.05780	0.9
94.04134	3.4
94.06559	0.9
95.04980	1.4
107.04958	6.4
107.07280	0.4
108.05237	0.9
108.08111	0.7
109.01092	3.9
109.06502	2.4
109.10133	1.3
117.05772	0.7
118.03698	0.7
118.06567	3.5
119.03629	4.2
119.04939	23.5
120.05277	0.8
122.03639	2.9
122.07309	2.0
136.02162	33.2
136.03880	0.9
136.04839	1.9
136.06180	28.0
136.07564	13.7
136.11166	0.8
137.02513	2.2
137.04643	2.1
137.05875	4.8
137.07942	0.5
137.09616	1.9
137.10580	0.4
138.43814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.7
53.03952	1.7
55.01852	0.6
57.57030	0.4
59.68998	0.4
63.81082	0.4
65.03933	3.0
66.04718	9.9
67.05507	1.5
67.32648	0.4
69.03421	0.6
70.00227	1.3
77.03907	1.2
79.05500	4.8
81.03398	0.4
81.07052	2.5
91.05479	6.4
92.05017	0.5
93.07038	0.4
94.04185	68.8
95.04449	2.4
95.04991	1.6
95.08606	0.8
98.16003	0.4
98.23347	0.4
105.03388	1.1
105.04491	0.6
107.04942	2.4
107.06086	0.5
108.06881	1.0
109.06503	1.6
109.07643	0.9
110.01453	0.6
110.06041	1.2
111.00682	0.6
119.04916	1.0
122.03646	80.0
123.03964	3.3
135.04404	0.9
137.02550	5.6
137.05965	100.0
138.01743	2.4
138.05428	3.5
138.06398	4.5
138.09140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31760	1.9
53.03941	8.3
53.36317	2.0
55.01874	93.9
56.02196	2.2
57.95833	1.8
65.03925	4.4
67.05500	7.8
71.29798	3.4
79.05491	48.3
81.07056	100.0
82.07383	5.6
83.01392	2.0
83.72723	2.1
91.05474	12.3
92.05000	2.5
94.04178	9.2
94.06567	6.4
95.04988	3.3
95.08624	3.0
96.04483	2.1
107.43748	2.1
108.06885	3.7
108.86555	2.2
109.06516	17.3
109.07631	4.0
109.69014	2.0
110.06065	4.9
121.06504	3.7
122.03667	11.5
123.06768	2.8
137.02518	33.0
137.04564	5.5
137.05971	30.5
137.07048	5.0
137.09633	5.8
137.10710	5.3
138.01715	12.1
138.05493	19.4
138.09102	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.36446	1.2
51.02364	1.3
53.03943	2.7
65.03938	5.0
66.04730	11.0
67.05508	4.0
68.04982	1.2
69.90516	4.7
72.36565	1.2
79.05486	6.3
81.03410	1.4
81.07076	6.4
91.05492	14.6
92.04987	1.7
93.07057	2.3
94.04192	64.3
94.06599	2.6
95.04488	3.1
95.05035	1.9
95.06107	1.4
95.08601	2.2
96.04491	1.9
105.65738	1.3
107.04951	2.7
109.06537	4.1
109.07651	2.6
109.21401	1.3
110.01465	2.8
110.06034	5.2
111.00683	1.3
119.04986	1.7
120.04513	2.4
121.06518	3.0
122.03656	78.8
122.07270	1.8
123.03988	4.3
123.06836	3.5
137.02528	29.7
137.05974	100.0
137.09613	2.5
137.10692	2.7
138.01773	12.1
138.05486	20.9
138.06374	4.1
138.09143	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.72045	0.7
51.02377	1.0
53.03938	1.3
55.01855	1.6
62.05964	0.7
65.03934	1.2
65.48538	0.7
66.04729	8.5
69.50907	4.3
69.51229	0.8
74.28178	0.6
77.03934	1.3
77.11552	0.8
79.05495	5.2
81.07066	2.0
91.05476	3.8
94.04185	62.2
95.04502	2.5
95.05024	1.2
98.23390	1.4
105.03393	1.0
107.04963	2.2
109.06452	1.1
122.03650	75.6
123.03982	3.4
137.05974	100.0
138.06310	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.75572	1.0
50.95316	1.0
53.03938	2.8
55.01877	1.5
56.80552	1.2
56.96558	1.9
65.03934	4.6
66.04722	10.8
66.17218	1.1
67.05490	5.4
68.05019	1.9
69.03423	1.7
69.48168	4.4
72.47356	1.1
79.05486	4.1
79.73397	1.1
79.85760	1.0
81.07061	6.4
82.06560	1.7
91.05490	14.2
92.04993	1.2
92.05775	1.5
93.06983	1.8
94.04189	59.7
94.06560	6.0
95.04456	2.0
95.04971	3.0
95.08601	3.3
96.04475	2.4
105.04488	1.6
105.92980	1.2
107.04934	2.3
108.06841	1.8
109.06528	2.7
109.07639	3.5
110.01475	2.5
110.06048	8.5
119.04910	1.8
119.08564	1.4
121.06477	3.2
122.03649	79.4
122.07321	1.7
123.03983	2.9
123.06786	3.0
137.02528	31.3
137.05963	100.0
137.06931	3.8
137.09607	2.8
137.10716	3.7
138.01746	11.9
138.05476	25.1
138.06361	3.5
138.09128	4.7
141.50000	1.2
154.94112	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	2.0
55.01868	1.6
57.78789	0.7
65.03938	5.6
66.04721	6.8
67.05534	3.6
67.05826	1.0
71.28350	0.9
79.05502	5.6
81.07056	5.0
82.06558	1.4
91.05472	8.9
92.04964	1.4
93.07079	1.1
94.04189	54.9
94.06563	2.8
95.04464	1.6
95.05017	1.4
95.06078	1.4
95.08591	2.2
96.04488	2.1
107.04971	2.6
109.06509	1.7
109.07645	1.8
109.10118	1.2
110.01436	2.3
110.06040	2.6
111.00671	1.4
119.04951	2.2
120.35415	0.7
121.06468	1.6
122.03651	74.4
123.04000	2.9
123.06797	2.1
126.63199	0.8
135.04362	1.0
137.02559	14.4
137.05972	100.0
137.09579	2.0
137.10655	1.3
138.01759	6.5
138.05484	15.0
138.06361	4.6
138.09113	2.4
158.25670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36446	1.2
51.02364	1.3
53.03943	2.7
65.03938	5.0
66.04730	11.0
67.05508	4.0
68.04982	1.2
69.90516	4.7
72.36565	1.2
79.05486	6.3
81.03410	1.4
81.07076	6.4
91.05492	14.6
92.04987	1.7
93.07057	2.3
94.04192	64.3
94.06599	2.6
95.04488	3.1
95.05035	1.9
95.06107	1.4
95.08601	2.2
96.04491	1.9
105.65738	1.3
107.04951	2.7
109.06537	4.1
109.07651	2.6
109.21401	1.3
110.01465	2.8
110.06034	5.2
111.00683	1.3
119.04986	1.7
120.04513	2.4
121.06518	3.0
122.03656	78.8
122.07270	1.8
123.03988	4.3
123.06836	3.5
137.02528	29.7
137.05974	100.0
137.09613	2.5
137.10692	2.7
138.01773	12.1
138.05486	20.9
138.06374	4.1
138.09143	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	1.3
52.11558	0.7
53.03933	2.0
55.01868	1.0
65.03930	3.1
66.04388	1.0
66.04723	9.2
67.05508	1.7
77.03960	0.7
79.05507	5.0
81.07045	2.8
91.05485	5.7
94.04192	63.6
94.06573	1.4
95.04498	2.4
95.04986	1.9
96.04490	0.9
98.23354	1.7
100.75495	0.7
105.04539	0.7
107.04932	2.1
108.06876	1.4
109.06523	1.5
109.07667	0.9
110.01457	1.1
110.06023	1.2
119.06064	0.9
120.04429	0.8
121.06477	1.3
122.03651	82.5
123.03982	4.0
123.04779	0.7
123.06771	1.8
124.45753	0.8
135.04449	0.9
137.02530	9.9
137.05974	100.0
137.10699	1.8
138.01770	3.8
138.05453	3.8
138.06403	5.7
138.09131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02395	1.1
53.03951	1.9
55.01869	1.0
55.05528	0.5
57.17887	0.4
63.56309	0.5
65.03938	3.2
66.04722	10.6
67.05146	0.7
67.05499	3.9
69.03442	0.7
70.86385	0.5
71.28535	0.7
77.03933	1.2
79.05498	7.1
79.51392	0.5
80.05003	0.5
81.03410	0.6
81.04577	0.5
81.07069	4.8
82.06582	0.5
91.05486	9.0
92.05012	0.9
92.05835	0.8
93.07020	1.0
94.04189	62.2
94.06569	1.3
95.04461	2.4
95.05048	2.8
95.06085	0.8
95.08616	2.3
96.04518	1.0
105.03379	0.9
105.04512	0.9
107.04944	3.4
109.06520	2.8
109.10164	1.8
110.01456	0.7
110.06046	1.6
119.04980	0.8
119.08534	0.6
121.06499	1.6
122.03650	74.8
122.07270	1.6
123.03999	3.5
123.06812	1.8
135.04474	0.8
137.02539	9.8
137.05972	100.0
137.09590	2.3
137.10692	1.2
138.01741	3.4
138.05473	6.9
138.06357	5.5
138.09166	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03946	4.4
55.01867	2.6
55.05518	10.6
57.23777	2.2
57.53102	1.7
65.03929	5.9
67.05507	75.9
68.05845	3.5
69.01968	15.0
69.02360	4.3
69.03418	4.0
69.07064	5.1
73.03377	2.2
75.38090	2.5
75.38516	2.0
79.05505	12.9
81.03417	5.1
81.07056	25.6
83.04977	4.6
91.05478	37.6
92.05827	2.8
93.07039	8.2
94.04161	6.8
94.07830	2.4
95.04990	13.4
95.08616	10.8
103.05502	2.1
104.06250	2.6
107.04961	28.0
107.08578	6.0
108.05788	2.3
109.06525	42.7
109.10148	51.3
110.10487	4.0
117.07003	4.5
119.06034	4.6
119.08583	20.0
121.06472	9.7
122.03643	6.5
122.07292	100.0
123.07655	4.5
135.08063	6.0
137.02461	4.2
137.05885	11.9
137.09615	91.7
137.10683	4.5
138.01785	2.8
138.05481	4.5
138.09959	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03957	3.6
55.01872	1.8
55.05516	3.1
65.03954	1.9
66.04751	0.9
67.05509	36.1
68.05851	1.5
69.03435	2.6
69.07088	1.7
69.36883	5.5
73.46793	0.7
73.78030	0.9
76.02895	0.7
79.05502	6.5
80.32764	0.8
81.03430	1.7
81.06596	0.9
81.07063	14.6
83.07342	0.8
83.07844	0.7
91.05486	18.8
93.07047	5.3
94.04185	7.2
94.06589	0.7
94.07832	1.7
95.04982	4.9
95.08612	8.2
103.05486	1.4
104.06243	1.6
105.04535	1.0
107.04960	25.6
107.08592	2.3
108.05350	1.3
109.06541	4.3
109.10164	28.3
109.10920	1.4
110.06052	1.1
110.10517	1.0
117.07027	2.9
117.57650	0.7
119.08588	20.8
120.08936	1.5
121.06508	9.8
122.03666	7.8
122.07291	100.0
123.07614	4.4
124.21780	0.8
134.99786	0.7
135.08061	4.3
137.02489	4.2
137.05934	11.2
137.09621	77.7
138.01782	1.1
138.05505	2.9
138.09093	0.8
138.09976	5.6
142.62708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02351	0.4
53.03940	2.2
55.01873	0.9
55.05505	1.6
65.03950	1.5
67.05502	27.2
68.05812	0.5
69.07065	1.1
69.83559	1.0
69.83949	0.6
77.03894	0.5
79.05494	4.4
81.03419	0.6
81.07050	9.1
91.05480	11.1
91.45115	0.3
92.05823	0.7
93.07033	4.6
94.04169	2.2
94.07817	1.7
95.04984	2.7
95.08607	6.7
96.04478	0.6
103.05466	1.6
104.06250	1.0
105.04528	1.4
107.04953	24.5
107.08582	1.4
108.05296	1.0
109.06512	1.5
109.10150	31.9
110.06048	1.3
110.10493	1.9
112.14772	0.3
117.07009	1.4
119.04958	0.4
119.08574	10.9
120.04469	0.4
120.08873	0.5
120.61170	0.3
121.06502	11.0
122.03692	2.0
122.07281	100.0
123.07608	5.6
135.08064	4.1
137.02534	2.0
137.03464	0.5
137.05911	3.3
137.09608	80.9
138.01726	1.3
138.05519	2.1
138.09059	0.4
138.09969	4.4
139.07504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03950	1.6
54.79743	0.4
55.01881	0.8
55.05510	1.3
62.95339	0.3
65.03960	0.9
67.05508	25.9
68.05846	0.8
69.03435	1.0
69.07074	1.1
69.35076	2.3
69.49925	0.4
77.03923	0.6
79.05495	4.4
81.07060	8.0
91.05486	13.2
92.05840	0.8
92.22050	0.4
93.07047	3.7
94.04195	0.8
94.07829	1.1
95.04988	2.2
95.08613	4.9
103.05466	1.6
104.06256	1.4
105.04513	0.9
107.04958	26.8
107.08588	1.4
108.05295	0.6
109.06525	1.1
109.10159	30.9
110.10498	1.6
115.05455	0.7
117.07019	2.1
119.08586	15.3
120.08941	0.8
121.06505	9.1
122.03662	1.1
122.07291	100.0
123.07618	5.8
135.08052	4.6
137.02480	0.7
137.05992	2.2
137.09619	74.0
138.05499	1.1
138.09944	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.22887	0.6
53.03961	1.6
53.27483	0.5
55.01890	0.6
55.05510	2.8
56.83997	0.5
65.03954	2.1
67.05508	27.3
68.05840	0.5
69.03448	1.6
69.04632	4.8
69.07086	1.5
79.05498	5.4
81.03416	0.6
81.07052	8.7
82.06599	0.9
82.65944	0.6
83.62176	0.5
91.05482	15.3
91.06007	0.9
92.05819	1.1
93.07041	4.5
94.04194	2.6
94.06583	1.2
94.07856	1.4
95.04980	3.8
95.06072	0.6
95.08617	7.5
96.04502	1.7
103.05491	1.4
104.06268	0.9
105.04543	1.2
107.04958	26.8
107.08617	2.5
108.05264	0.7
108.06844	0.6
109.06532	1.9
109.07703	0.6
109.10161	30.2
110.01467	1.3
110.06059	1.8
110.10526	1.3
117.07016	2.4
119.04992	0.6
119.08588	15.1
120.08876	0.7
121.06514	10.4
121.26141	0.5
122.03678	4.3
122.07291	100.0
123.06776	0.8
123.07608	4.6
135.08087	3.7
137.02531	9.8
137.04565	1.4
137.06000	5.5
137.09618	72.1
138.01778	3.7
138.05510	6.7
138.06450	0.6
138.09120	0.8
138.09991	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	3.5
55.01867	2.2
55.05517	16.3
61.64146	1.6
61.80789	1.6
65.03941	8.0
66.04718	7.1
67.05505	100.0
68.05817	3.4
69.02819	13.6
69.03422	2.6
69.07062	5.3
79.05492	14.0
81.07055	31.9
82.06568	2.0
85.84068	1.8
91.05480	20.8
93.07024	5.5
94.04185	46.9
94.06549	3.3
95.04989	16.7
95.06075	1.7
95.08608	10.5
96.04482	2.1
98.22616	2.5
105.06980	1.5
107.04940	3.4
107.08586	5.9
109.06512	10.9
109.10157	67.4
110.01417	5.2
110.06039	5.1
110.09667	2.5
110.10458	3.2
119.08576	4.7
121.06498	2.8
121.97787	1.7
122.03652	56.0
122.07309	7.6
123.03987	4.4
123.06771	2.8
137.02544	25.3
137.05974	77.5
137.07014	3.7
137.09621	25.9
137.10635	2.4
138.01706	8.0
138.05467	14.1
138.06371	3.3
138.09103	4.0
143.08450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05507	7.4
57.07073	15.2
65.03932	2.4
66.04728	0.9
67.05503	33.8
68.05812	1.4
69.03410	1.0
69.07059	6.3
69.28173	2.3
69.28593	3.4
73.72117	0.9
79.05483	9.0
81.07052	57.6
82.07384	3.4
82.19257	0.9
87.69102	0.8
91.05476	5.2
92.05061	0.8
93.07043	7.2
94.04163	4.6
94.06564	1.0
95.04935	1.8
95.08600	100.0
96.04510	1.4
96.08932	4.4
107.08599	2.0
108.09371	1.9
109.06555	1.0
109.07700	1.1
109.10144	11.5
110.06058	1.8
111.05579	0.9
119.04977	1.2
120.04469	1.1
121.06472	1.1
122.03635	3.0
122.07283	2.3
137.02513	10.1
137.04483	1.1
137.05965	6.0
137.09595	3.0
137.13232	9.3
138.01730	4.7
138.05530	7.9
138.09117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03951	0.8
55.53690	0.2
65.03936	1.6
67.05497	1.0
69.95190	0.8
78.03452	1.2
79.04224	0.4
90.73646	0.2
92.05004	9.4
93.05289	0.5
93.05794	1.4
94.06567	23.5
95.06890	1.0
96.04488	3.3
110.06039	15.1
111.06406	0.5
113.33253	0.2
133.01573	0.3
133.03484	0.2
136.03949	0.3
138.05499	100.0
139.05867	4.5
154.04988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
65.03945	1.6
66.71990	0.2
67.05511	1.2
67.26142	0.2
69.49184	0.8
69.49596	0.5
78.03441	0.9
79.04239	0.4
79.63368	0.2
79.76845	0.2
82.82561	0.2
92.05007	9.9
93.05791	0.8
94.06569	23.2
95.06896	0.9
96.04495	3.2
98.23344	0.3
101.93380	0.2
110.06045	14.5
110.91502	0.2
111.06371	0.5
132.38466	0.2
136.03983	0.3
138.05502	100.0
139.05858	4.8
154.04950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.42226	0.3
53.00304	0.3
53.03942	0.8
55.01876	1.0
55.05510	3.7
56.96560	6.4
57.03436	0.7
57.07077	3.9
59.05000	3.3
67.05496	1.7
69.03428	100.0
69.07072	2.9
69.32830	1.4
69.33244	0.8
70.03763	3.0
71.95271	1.9
79.05497	4.0
81.07046	1.7
83.04982	8.9
91.05475	2.6
93.07044	8.9
94.07339	0.5
95.04980	1.0
95.08607	4.2
96.05780	0.4
97.06528	11.3
97.10128	0.7
98.06840	0.5
98.97584	24.3
103.05500	0.5
105.07024	5.1
110.07315	0.4
111.04440	0.4
111.08083	1.1
116.98618	16.9
119.08587	0.6
121.10143	8.9
122.10495	1.0
123.08105	0.4
129.44687	0.3
134.99658	6.3
139.11174	34.7
140.11487	2.1
153.00720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73239	1.2
57.44871	1.2
66.14201	1.5
69.38110	5.9
69.38514	2.2
82.99839	4.1
95.44827	1.3
100.02480	5.6
101.00887	42.2
110.29363	1.4
112.28452	1.3
118.03522	11.8
119.01925	100.0
120.02013	2.7
124.02451	1.7
136.04562	6.7
137.02962	21.0
138.03023	1.6
142.03508	18.2
143.03545	2.9
160.04587	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05734	1.7
69.82045	6.0
82.99860	2.3
95.20523	1.7
98.23235	2.0
100.02491	6.5
101.00877	37.1
118.03544	14.3
119.01914	100.0
120.02031	3.9
136.04546	10.8
137.02954	23.1
139.13574	1.9
142.03494	18.8
143.03430	2.4
160.04572	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52939	1.4
69.81026	5.0
82.99867	4.5
88.51694	1.7
94.45555	1.5
100.02509	5.9
101.00877	39.5
102.00986	2.8
108.71296	1.5
118.03532	12.9
119.01925	100.0
120.02073	4.6
128.49487	1.8
136.04555	9.2
137.02965	20.8
137.50040	3.3
142.03494	17.7
144.28810	1.7
160.04529	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02741	1.4
69.68608	4.5
70.62697	1.1
70.99838	1.3
82.99850	3.5
100.02484	6.0
101.00884	41.7
118.03510	14.7
119.01924	100.0
120.02006	5.6
124.02442	1.8
136.04546	8.3
137.02962	24.5
138.16820	1.2
142.03505	17.6
142.12251	2.6
142.14592	1.1
143.03578	2.8
145.16466	1.1
160.04539	9.1
161.02994	2.1
161.04379	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	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81564	0.4
58.06588	1.4
58.99868	3.1
69.29092	0.3
70.99861	6.2
71.28513	0.5
71.99929	0.6
77.00909	4.0
81.04542	4.2
82.99835	2.8
84.04494	1.8
84.08126	1.7
85.02914	0.5
86.99330	0.5
89.00906	3.5
91.34081	0.3
94.06540	0.4
95.01947	0.9
95.06091	2.4
97.02904	0.7
97.07639	0.9
100.02507	0.5
101.00880	38.8
101.41764	0.3
102.00945	3.4
103.02442	0.7
107.01924	0.6
118.03491	0.4
119.01920	100.0
120.02003	8.9
121.01668	0.5
121.03455	0.6
125.07134	1.6
131.01923	0.6
133.03526	0.5
137.02954	17.4
138.03076	1.9
138.04118	0.3
142.03459	1.7
143.01897	3.5
143.03458	0.9
143.08131	1.0
144.05148	0.8
144.06462	0.4
144.10196	7.5
148.84554	0.3
161.02965	5.4
162.03033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05027	0.5
58.06603	1.9
58.99869	2.5
65.83661	0.3
69.03434	0.4
70.06578	0.4
70.99494	0.4
70.99864	6.4
71.28222	0.5
71.99908	0.6
72.08169	0.7
77.00910	3.8
78.00973	0.4
81.04550	3.2
82.99838	2.8
84.04507	4.8
84.08148	4.3
89.00893	3.6
95.01949	0.9
95.06110	1.8
97.02911	0.4
97.07656	0.9
97.08411	0.5
98.09689	0.7
101.00884	41.4
102.00956	3.8
103.02466	0.9
107.01912	0.5
109.79585	0.3
114.64399	0.3
118.03556	0.5
119.01922	100.0
120.02006	9.9
121.01633	0.9
121.02392	0.5
124.02433	0.6
125.07137	1.1
126.79541	0.3
131.01906	0.6
133.03458	0.4
137.02959	17.1
138.03096	1.4
138.46967	0.3
142.03476	1.7
143.01918	3.5
143.03444	1.3
143.08131	0.7
143.12611	0.6
144.02057	0.5
144.05072	0.6
144.06546	0.4
144.10196	10.9
144.11328	0.6
145.03519	0.4
161.02977	4.6
162.06223	0.4
163.75534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
54.50629	1.1
55.01878	4.9
56.05034	1.4
56.96564	5.3
57.03432	5.7
58.06627	1.3
60.95848	8.1
61.02917	3.4
66.52833	1.4
67.05511	1.9
69.03430	20.2
69.74162	6.0
70.06590	3.7
71.04993	2.2
71.99932	1.3
72.08161	4.8
73.02923	1.6
74.07193	1.6
75.94562	2.3
77.75791	1.5
81.03419	4.2
83.99926	1.4
84.04496	2.1
84.08143	18.5
84.96032	5.3
84.99590	2.9
85.02907	26.6
85.06545	3.6
85.08922	2.5
89.03922	11.9
91.00661	1.4
96.04486	1.3
97.02896	8.4
98.06058	3.8
98.97572	8.3
99.04436	6.0
101.00867	6.4
102.00943	23.6
102.02239	4.2
102.96863	24.9
103.00642	28.6
103.01275	1.4
113.02979	4.9
114.03776	1.3
116.98632	5.8
117.03384	4.3
117.38323	1.2
119.01921	17.4
120.02037	65.0
120.03158	9.7
120.97905	15.4
121.01666	100.0
126.03732	5.1
127.03922	2.4
134.99673	1.9
137.02982	4.3
138.03065	19.0
138.04306	8.5
138.98959	5.9
139.01715	1.5
139.02695	22.6
144.03191	11.3
144.04808	12.7
144.06471	1.7
144.08078	1.9
144.10184	2.2
145.05043	1.6
162.04378	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.52396	0.7
55.01856	1.1
55.05513	1.5
56.05035	1.0
57.03431	1.6
57.80335	0.8
58.02957	1.1
58.06580	1.4
60.04518	1.1
60.95850	2.7
60.98730	2.4
61.28996	0.7
62.92984	2.8
68.05033	0.9
69.03427	2.8
70.02641	2.4
70.06593	4.0
71.01369	0.8
71.04990	2.6
72.04523	1.2
78.99775	3.3
80.05017	1.5
81.03391	1.7
84.04507	2.0
84.08158	2.4
84.96054	1.6
84.99603	1.4
85.02907	6.4
96.04471	1.9
97.00810	7.4
97.02889	2.2
98.06062	10.6
98.97604	1.3
99.04475	4.3
101.00895	2.1
102.00942	8.0
102.02262	3.1
102.96881	4.1
103.00636	16.4
103.01289	1.6
109.02877	0.9
113.84590	0.8
114.77098	0.9
115.05515	1.0
115.38041	0.9
116.98608	1.6
119.01925	14.0
120.02031	58.0
120.03278	13.1
120.04081	1.6
120.97900	3.8
121.00842	6.1
121.01665	100.0
121.96658	4.7
122.02107	1.2
126.05516	3.5
127.03959	1.0
137.02959	6.9
138.03072	32.1
138.04303	13.9
138.98936	3.3
139.01793	18.2
139.02719	45.1
142.03484	1.0
143.03600	1.4
144.03215	17.9
144.05600	1.7
144.06596	4.7
144.08098	8.2
144.10214	4.2
144.13864	1.2
145.03572	1.0
162.04314	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01875	0.5
58.06609	0.6
62.01590	0.3
63.02376	5.1
69.03425	0.9
69.93745	0.8
71.04981	0.4
72.08160	5.1
75.02394	0.3
79.05482	0.4
82.94708	0.2
84.08146	0.7
85.02914	1.5
89.03921	100.0
90.04255	4.1
91.05460	0.3
94.68433	0.2
97.02918	0.6
99.04456	0.7
101.03963	0.3
112.11256	1.0
116.47214	0.2
117.03383	41.1
118.03707	2.4
118.06529	0.9
126.75515	0.2
129.04425	0.3
130.78233	0.2
135.04468	1.1
145.02823	1.3
146.06012	4.6
155.62190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
53.56001	1.3
55.01872	8.3
55.05503	2.6
56.05018	2.4
57.03452	7.2
58.06592	6.0
61.02908	2.1
62.92990	2.1
67.05505	11.2
69.03429	35.3
71.01353	1.7
71.04997	11.7
71.29250	1.5
72.08155	65.3
75.09212	1.9
79.05509	3.1
81.03419	18.1
82.06565	4.0
83.01338	3.9
83.04980	2.8
84.04491	2.9
84.08142	8.1
85.02905	48.3
85.04827	3.7
86.06033	2.5
86.09669	2.1
87.04491	2.1
89.03893	5.1
91.05476	46.4
92.05807	1.4
97.02888	13.9
99.04453	35.4
100.07622	2.6
103.03941	26.2
103.05440	8.5
105.07031	84.9
106.04659	1.3
106.07377	3.6
109.02868	5.7
112.11244	15.6
115.05452	29.1
116.06218	5.2
117.03367	1.9
117.07015	66.6
118.06535	13.2
118.07353	3.5
121.96638	3.1
127.03930	9.3
128.06207	9.9
128.07043	2.5
129.07024	17.5
129.13863	1.9
130.07794	61.7
131.04939	2.7
139.01883	1.7
143.08542	12.3
145.05066	2.7
145.06473	21.0
145.07617	4.6
145.10123	100.0
146.05984	8.5
146.07059	2.8
146.08200	2.8
146.10530	6.4
155.06023	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05512	1.5
56.05027	1.1
57.03426	1.6
62.92992	9.7
65.03932	1.4
67.05502	8.6
69.03420	2.6
69.43925	4.7
72.04498	1.0
72.08142	1.0
77.83135	1.0
78.64891	0.9
79.05493	6.2
80.05035	1.0
81.03423	3.1
82.06589	4.3
83.04975	1.6
84.04539	1.1
85.02915	5.3
86.06067	3.3
91.05477	30.7
92.05794	1.4
97.02885	3.5
100.07605	1.4
103.05505	4.4
105.07030	68.5
106.07365	2.8
115.05450	16.9
116.06269	7.5
117.07020	68.9
118.06567	1.6
118.07340	3.6
121.96645	11.2
128.06215	7.3
128.07071	1.8
129.07018	13.9
129.37294	0.8
130.07790	45.7
131.08131	2.8
140.11664	0.9
141.45872	0.8
143.08560	9.0
145.07642	2.7
145.10120	100.0
146.06001	4.0
146.08086	3.2
146.10468	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82857	1.0
53.03952	1.8
56.05037	1.6
57.26954	1.0
62.92993	15.8
67.05511	8.0
71.30157	1.5
71.30519	1.4
72.08128	1.5
79.05505	7.3
81.03409	2.0
82.06573	3.4
83.04985	2.1
85.02936	2.1
85.87880	1.1
86.06098	6.5
86.60158	1.1
87.04481	2.2
91.05487	31.1
100.07627	2.3
103.05461	4.4
103.16251	1.4
105.07034	69.5
106.07388	3.1
108.94006	1.1
110.06055	1.7
115.05464	18.1
116.06291	8.4
117.07027	75.0
118.06525	3.6
118.07343	4.7
121.96648	21.6
128.06215	8.4
128.07057	2.0
129.07022	15.3
130.07803	45.1
131.08131	2.3
138.89693	1.1
143.08571	10.4
145.10130	100.0
146.06050	5.6
146.08101	5.3
146.10446	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01855	2.3
57.03433	3.3
58.06598	1.8
62.92983	2.6
67.05487	3.9
69.03425	7.1
71.04994	2.8
71.29833	1.2
72.08157	24.5
77.03936	1.1
79.05492	5.5
79.66221	1.1
81.03441	2.8
82.06589	2.8
83.01350	1.5
83.04974	1.7
84.08128	3.1
85.02909	8.8
86.06062	2.2
86.09701	2.5
89.03902	3.5
91.05479	32.7
95.04948	0.9
97.02890	3.3
99.04456	6.9
100.07614	1.8
103.03955	3.1
103.05479	4.7
105.07032	94.2
106.07359	5.1
110.06080	1.1
112.11252	5.9
115.05454	23.7
116.06310	4.6
117.03352	2.2
117.07019	61.7
118.06532	8.3
118.07355	5.4
121.96651	2.9
127.03918	1.5
127.05299	1.0
128.06227	9.6
128.07108	1.4
129.07008	15.9
130.07793	53.5
131.08110	2.6
143.08574	10.1
145.05428	1.3
145.06471	9.1
145.07639	2.6
145.10123	100.0
146.05949	5.1
146.08083	2.3
146.10451	6.9
155.06068	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
58.06603	1.2
60.71477	0.6
63.19074	0.6
65.03943	0.8
67.30703	0.6
68.15227	0.6
70.29153	1.8
72.08160	8.9
73.64434	0.6
74.83906	0.7
82.06583	0.6
84.08147	1.4
86.86053	0.6
91.05486	29.5
92.05848	1.2
112.11257	1.8
117.05766	5.8
118.06548	100.0
119.06905	5.2
128.04970	11.8
129.05362	0.8
130.79576	0.7
146.06018	29.1
146.91824	0.6
147.06377	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	146.0924
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.05515	0.8
56.05037	3.4
56.96558	0.7
57.03437	0.5
58.06603	1.9
60.05649	14.5
60.08165	17.6
61.02952	0.3
61.08488	0.4
68.05019	0.9
69.03430	7.3
69.07070	0.9
70.54988	0.4
71.28712	0.4
71.78506	0.4
72.08155	10.5
73.02918	0.7
74.06073	0.3
75.99998	0.3
82.06581	1.9
83.04996	0.6
83.06099	2.2
84.04504	11.7
84.08144	52.9
85.02892	0.8
85.06532	0.4
86.06068	54.7
87.04467	100.0
87.06391	1.6
88.04814	2.7
91.05492	2.3
98.97597	0.9
100.07609	1.0
101.01067	0.4
101.01714	2.3
102.02432	0.6
104.06428	0.5
104.07109	7.4
111.05563	7.4
112.05954	0.4
112.11234	2.3
112.15489	0.4
119.01892	1.2
119.04924	1.7
121.01664	0.7
128.07224	0.5
128.08191	4.9
128.10678	0.7
129.06589	1.2
129.13893	0.4
130.04999	2.4
130.08632	5.2
131.01892	0.6
132.03546	0.4
146.09245	23.5
146.11748	10.5
146.15344	0.4
147.02232	0.5
147.09581	0.9
147.12105	0.5
148.83850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81622	0.3
55.05511	1.5
56.05041	2.9
57.03460	0.4
58.06604	0.3
58.99589	0.4
60.05650	7.1
60.08167	31.6
60.11412	0.3
61.08501	0.6
67.05505	0.8
68.05033	0.5
69.03434	2.8
69.07034	0.4
70.03750	0.4
71.27709	0.3
71.28070	0.4
72.08150	0.9
82.06578	3.6
83.06110	1.1
84.03981	0.5
84.04507	18.6
84.08146	44.9
85.02957	0.4
86.05524	0.4
86.06070	24.3
87.04470	100.0
88.04803	2.4
91.05489	2.0
100.02205	0.7
100.07623	3.5
101.01722	4.1
101.50133	0.4
102.05540	0.5
103.35814	0.4
104.07092	3.3
105.01248	0.3
111.05564	3.0
112.03750	0.3
116.89970	0.4
119.04933	2.5
121.01731	0.4
128.07210	0.5
128.08215	1.9
128.10689	0.4
129.06587	0.5
130.05000	5.3
130.08633	4.4
146.08150	0.6
146.09248	9.7
146.11763	18.5
147.02284	0.6
147.12080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	D-Lysine
Peak:m/z	Relative Intensity
54.03480	0.1
55.05503	0.2
56.05036	7.6
56.96566	0.8
57.03432	0.1
59.85201	0.1
64.95547	0.1
67.05502	1.8
67.65237	0.1
69.05808	0.1
69.54675	0.4
74.02441	0.3
74.65897	0.1
84.04509	71.5
84.08138	100.0
85.02898	1.5
85.06550	0.6
85.07867	0.3
85.08466	4.5
90.00073	0.1
91.05482	0.2
95.04965	0.2
97.01419	0.1
98.97578	0.2
100.02472	0.2
101.10746	0.1
102.05539	11.0
102.09160	0.3
103.00664	0.1
104.90815	0.3
106.96552	0.2
112.07607	0.2
115.02421	0.1
116.98588	0.1
118.03503	0.1
119.01906	0.2
119.04935	0.1
119.89474	0.1
121.01683	0.2
121.99723	0.1
123.02106	0.1
124.02474	0.1
124.49969	0.1
124.97620	0.1
127.62698	0.1
129.10243	0.2
130.03564	0.1
130.05003	4.8
130.08640	9.6
130.52666	0.1
131.03458	0.1
131.09016	0.4
132.96614	0.1
133.50528	0.3
134.99770	0.1
137.02975	0.1
137.50044	0.1
142.03471	0.1
142.51213	0.1
142.98581	0.1
143.00301	0.2
146.91846	0.2
147.04367	0.1
147.05527	0.1
147.11336	0.2
148.06030	0.6
148.07556	0.2
158.98103	0.1
160.04536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03936	2.7
55.05516	10.5
57.20700	0.9
64.82722	1.0
65.03944	3.5
67.05510	1.9
69.07069	5.4
69.10793	9.4
72.08179	1.9
73.08487	2.8
79.05486	7.2
80.19849	0.9
84.04494	2.7
91.05477	61.3
92.05807	3.2
93.07035	3.6
95.04955	1.5
98.22619	1.7
103.05473	4.7
104.06264	1.9
105.04502	1.1
105.07027	63.9
106.06698	1.1
106.07370	4.6
107.04945	1.5
107.08585	5.1
109.06519	1.1
115.05434	2.8
116.06245	4.0
117.07019	20.5
118.07311	1.2
119.04943	12.8
119.08575	100.0
120.08938	5.7
121.10133	1.1
128.06149	1.6
129.06981	4.6
130.07806	1.8
131.08562	4.3
132.05678	1.7
132.09366	7.5
133.05194	1.4
145.10114	13.5
147.04430	8.2
147.05466	2.3
147.08046	8.2
147.09117	1.7
147.11681	51.2
148.03871	1.2
148.07513	9.7
148.12010	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03944	2.7
55.05507	8.1
65.03938	3.1
66.92862	0.9
67.05502	2.4
68.35001	0.9
69.00468	5.2
69.00899	5.2
69.07082	1.8
74.13730	1.2
77.03929	1.3
79.05483	6.2
81.07079	1.3
91.05482	55.9
92.05807	2.3
93.07039	2.8
95.04942	1.5
103.05457	6.1
104.06302	1.7
105.07032	58.7
106.07375	2.3
107.04964	3.7
107.08577	8.0
115.05468	2.0
116.06292	4.7
117.07031	19.2
118.07341	1.1
119.04936	11.1
119.08582	100.0
120.05231	1.1
120.08907	6.0
121.10175	1.5
128.06223	1.6
129.06970	3.1
130.06506	0.9
130.07762	2.6
131.05002	1.1
131.08572	3.3
132.05673	5.3
132.09344	9.1
145.10117	12.7
147.04401	4.4
147.08060	13.0
147.11691	49.4
148.03934	1.0
148.07530	6.7
148.12019	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03932	2.6
55.05512	10.6
56.30135	1.0
56.46434	1.1
65.03931	4.2
65.25786	1.1
67.05503	2.1
69.07059	2.6
69.84590	1.2
70.86156	1.8
72.90620	1.1
79.05500	7.7
81.07035	1.6
91.05477	73.5
92.05814	3.8
93.07043	5.1
95.04974	1.8
103.05466	5.5
104.06239	2.6
105.07027	69.9
106.07328	5.7
107.08584	10.6
115.05460	1.6
116.06272	1.9
117.07005	16.9
118.12901	1.3
119.04940	34.2
119.08575	100.0
120.05285	2.6
120.08140	2.0
120.08865	7.6
127.33562	1.3
129.07033	3.1
130.07764	2.4
131.08568	2.1
132.09344	7.5
145.10146	9.5
147.04408	10.6
147.08090	6.3
147.09142	1.9
147.11679	50.3
148.07544	3.2
148.11981	4.4
153.65479	1.3
160.49460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05504	8.2
58.54376	1.3
62.79345	1.3
65.03934	5.5
67.05495	2.4
69.07066	3.8
69.34821	1.5
71.29132	1.6
77.03947	1.5
79.05485	8.0
83.40939	1.7
91.05482	65.6
92.05811	3.9
93.07040	4.2
95.04910	1.6
103.05460	5.5
104.06274	1.7
105.07028	71.6
106.07372	4.9
107.08610	11.0
117.07029	18.2
119.04930	25.6
119.08579	100.0
120.08933	9.8
129.07001	4.0
131.77531	1.6
132.09357	7.3
145.10114	6.4
147.04439	7.9
147.08054	4.3
147.09201	2.9
147.10498	2.3
147.11682	48.8
148.07498	3.0
148.12006	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	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02387	2.1
53.03949	9.9
55.01875	9.2
59.12200	0.7
65.03942	64.6
66.04273	2.0
67.05502	1.0
68.99795	22.2
69.03440	4.3
70.13171	2.3
77.03921	2.5
79.01839	3.6
79.05072	0.8
79.05495	13.9
80.02632	2.6
81.03403	2.5
81.07050	3.4
91.05479	33.3
92.05788	1.9
93.03407	14.1
93.07044	21.2
94.07399	0.8
95.04979	11.0
98.03677	3.8
103.05469	32.8
104.05804	1.8
105.04523	5.9
105.07031	5.6
107.04960	1.8
107.08630	4.1
108.02090	5.8
111.04446	8.6
115.04051	0.8
116.06287	0.9
119.08536	1.2
121.02863	66.9
121.03977	19.1
121.06499	18.9
121.10122	5.0
122.03186	2.7
122.04332	0.9
122.06853	1.1
131.04944	2.7
133.07536	1.1
149.02342	100.0
149.05984	15.4
149.07057	1.2
149.09628	14.8
149.13266	1.4
150.02684	6.1
150.03737	1.2
150.06372	1.3
150.09105	0.8
151.28564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02367	0.9
53.03952	5.5
55.01868	2.0
56.91824	0.9
65.03941	55.2
66.04265	2.1
70.14317	0.8
70.30160	1.9
70.30506	1.2
77.03905	1.9
79.05491	44.1
91.05466	9.9
93.03402	11.2
93.07042	29.5
95.04936	4.8
96.02072	0.9
98.03671	2.3
98.17108	0.9
103.05465	95.1
104.05800	5.5
105.04498	2.7
105.06999	1.4
107.04952	24.3
110.95098	1.0
111.04436	8.5
113.71024	0.8
121.02864	60.3
121.03972	19.6
121.06489	11.9
122.03176	2.5
122.06043	0.9
122.06873	1.0
131.04924	3.8
149.02341	100.0
149.05983	4.2
150.02667	6.7
150.05444	1.5
150.07701	2.5
167.03249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02377	1.0
53.03947	7.2
53.89006	0.8
55.01878	5.6
55.05502	2.8
56.05020	1.3
58.60814	0.9
62.45572	0.9
63.39380	0.8
65.03943	55.4
67.05508	7.0
68.99786	7.6
69.03417	3.3
69.05436	3.8
69.05857	4.7
79.05493	19.8
81.07052	3.2
87.65900	0.9
91.05481	36.2
92.05799	1.9
93.03405	12.1
93.07046	33.9
94.07391	1.0
95.04954	6.7
95.52592	1.0
98.03632	1.5
103.05460	10.0
105.04541	2.2
105.07030	21.9
106.07874	2.2
107.08588	3.1
108.02081	1.1
109.06523	11.2
111.04456	6.8
115.05485	2.3
115.32576	0.9
116.06221	6.1
119.08571	3.5
121.02863	63.9
121.03967	15.5
121.06470	6.8
121.10153	9.9
122.03167	2.7
123.08099	1.4
129.06996	2.6
131.08574	8.2
134.07291	1.3
149.02344	100.0
149.05966	2.5
149.07051	1.6
149.08501	1.9
149.09616	21.4
150.02698	5.3
150.03740	1.0
161.96051	1.0
167.03383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03949	7.6
54.89002	1.0
55.01635	1.0
55.01872	6.0
55.05501	2.9
57.21584	1.0
59.56288	0.9
65.03939	47.9
67.05504	2.7
69.03427	5.6
69.32034	6.6
77.03913	2.1
78.04710	1.6
79.05487	27.1
81.07069	3.2
83.04983	1.5
89.03924	5.8
91.05479	85.6
92.05811	3.2
93.03401	11.2
93.07040	44.6
94.07355	1.9
95.04951	6.5
98.03674	1.5
103.05466	12.5
105.04510	2.4
105.07027	56.9
106.04156	0.9
106.07810	4.7
106.65759	1.0
107.04948	2.4
107.08569	2.9
109.06555	5.7
111.04456	5.4
115.05447	11.3
116.06236	28.8
117.03391	1.9
117.06575	1.5
119.06080	1.4
119.08566	9.9
120.05715	0.9
121.01983	2.4
121.02861	48.1
121.03974	13.3
121.06501	24.3
121.10142	41.2
122.03182	2.0
122.10459	1.5
123.08044	4.7
128.06213	1.7
129.07002	11.7
131.04887	1.2
131.08563	26.9
132.08878	1.1
133.06566	2.2
133.07600	7.3
134.07263	5.2
147.08003	3.1
149.02338	80.5
149.05986	3.8
149.09613	100.0
150.02666	5.6
150.05447	1.0
150.09972	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	3.2
55.01872	1.3
55.05513	5.2
64.76005	1.0
65.03940	54.1
66.04267	1.9
67.05502	12.6
68.05829	1.2
69.07064	7.5
70.85793	2.2
79.05488	29.0
80.05823	1.8
81.03413	2.0
81.07053	37.7
83.08605	1.8
91.05484	12.8
93.03403	11.6
93.07043	37.9
94.07346	2.2
95.04965	3.3
95.08605	6.4
98.03673	2.3
105.07005	5.0
107.04955	15.2
107.08588	27.8
108.04514	0.9
108.08926	1.8
110.65140	0.9
111.04430	7.7
119.08564	1.6
120.05727	2.1
121.02862	60.6
121.03968	19.7
121.09402	1.1
121.10149	9.7
122.03175	4.2
122.04349	1.1
125.98859	0.8
144.00522	0.9
149.02338	100.0
149.07048	1.7
149.09613	6.7
149.13240	15.6
150.02711	6.9
150.03740	1.4
162.56010	0.8
167.03333	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19232	0.8
53.03947	1.7
55.01868	1.9
55.05501	2.5
57.07078	1.9
65.03940	59.7
66.04267	2.3
67.05496	1.5
68.01902	0.8
68.99809	0.7
69.03456	0.7
69.07052	1.8
70.74818	0.7
71.30424	1.4
79.05499	7.9
80.02630	0.9
81.07048	2.4
90.23300	0.7
91.05485	10.3
92.05767	1.1
93.03397	12.7
93.07040	11.3
95.04955	1.7
98.03666	2.9
103.05438	1.5
105.07032	16.0
106.81532	0.7
107.08598	16.5
108.08950	1.6
111.04438	6.4
115.05444	1.4
119.06049	0.7
119.08589	4.3
121.02863	65.2
121.03974	22.1
121.06501	2.8
121.10141	32.4
121.11024	1.7
122.03177	3.9
122.04250	0.7
122.10475	2.6
123.08054	2.0
131.08568	1.5
133.07581	0.7
134.10912	1.1
142.88422	0.8
149.02341	100.0
149.09622	4.8
149.13258	4.8
150.02670	6.1
150.05510	0.9
167.03378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	L-Methionine
Peak:m/z	Relative Intensity
56.05039	100.0
57.05377	2.3
58.99596	1.3
59.19111	0.6
59.63383	0.7
59.88670	0.6
61.01155	70.3
62.01493	0.7
66.04293	1.1
69.90721	2.5
74.02441	7.8
74.06075	6.4
75.02717	0.9
84.04503	3.7
85.02921	3.0
87.02698	15.0
93.63255	0.7
102.04907	0.5
102.05544	20.5
104.05336	54.0
105.00085	0.9
105.05683	1.4
105.07022	1.3
122.03236	3.5
122.04298	0.9
133.03194	34.7
134.03569	1.5
135.15694	0.6
136.23940	0.7
150.02715	6.4
150.03751	1.1
150.05847	3.1
150.07790	1.0
150.09113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
53.48036	0.3
55.02997	0.6
56.05005	0.4
56.96558	0.5
65.03928	0.4
66.79593	0.3
68.21735	0.3
70.01377	0.3
79.05490	0.6
82.04069	0.8
96.08089	0.4
103.02411	0.7
106.06566	0.8
107.03566	0.7
107.66403	0.3
109.05154	2.3
110.03532	12.9
111.04488	0.5
124.07605	0.8
128.04552	5.0
129.00362	0.4
134.04567	0.8
134.06027	6.2
135.03023	26.1
136.01439	0.5
136.03349	0.9
147.01353	1.6
152.05679	100.0
153.04079	34.6
153.05922	2.6
154.02472	0.9
154.04381	1.1
170.03021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.4
51.02377	1.7
53.00307	0.5
53.03944	1.4
53.10130	0.5
54.18636	0.4
55.01869	1.1
56.96561	2.3
59.05005	4.5
61.66799	0.3
62.99540	0.3
68.96325	0.4
69.03432	45.8
69.07038	0.5
69.75033	1.3
69.75397	0.9
70.03760	0.9
70.94254	0.8
71.01336	0.9
71.95277	0.4
79.01859	12.1
79.05507	0.5
80.05016	0.6
81.03427	1.6
83.01352	0.8
91.05473	0.5
92.04989	1.9
93.07034	0.6
97.02895	100.0
98.03241	2.8
98.22637	0.5
98.97581	1.3
107.01315	2.0
107.04955	1.1
108.04485	1.4
116.98608	0.9
125.02357	73.3
126.02705	3.8
130.96274	1.3
131.00166	0.6
136.03932	1.6
137.05975	1.2
148.97339	1.0
153.05434	1.0
153.10187	0.5
154.04994	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	153.1023
Annotation	2814-20-2
Peak:m/z	Relative Intensity
53.03942	2.9
55.01870	3.1
55.05511	2.6
56.05023	2.2
56.96576	1.7
57.04552	1.4
58.06596	1.6
59.05002	1.6
65.03941	4.1
67.02987	10.4
67.04212	1.1
67.05503	9.7
68.05008	2.5
68.96339	8.1
68.99779	1.8
69.03432	26.0
69.04546	2.0
69.07066	3.1
69.08127	7.5
70.03753	0.8
70.94260	6.2
70.95863	1.4
71.04984	1.3
72.08133	0.8
79.01864	4.4
79.05497	8.6
80.05022	6.3
80.05828	1.2
81.03408	3.0
81.05800	7.1
81.07052	3.0
82.06581	26.2
83.01329	1.0
83.04974	2.5
84.08148	1.5
86.97367	2.8
88.95290	1.1
91.05476	2.7
92.04994	2.0
93.03412	2.2
93.04516	3.8
93.05790	7.7
93.06319	1.2
93.07033	4.1
94.06572	32.9
95.04976	4.4
95.06058	1.4
95.07368	11.4
95.08629	0.9
97.02892	29.8
97.06522	3.1
98.06090	0.9
98.09695	1.1
98.24236	0.9
100.07622	12.6
104.04995	2.0
105.04498	1.1
106.06551	3.5
107.04947	3.2
107.06078	6.6
107.07324	2.6
107.08600	2.4
108.04472	1.5
108.08121	61.2
109.02860	0.9
109.06487	1.7
109.07707	1.0
109.08470	2.5
109.10153	1.6
109.98947	2.0
110.06020	1.1
110.34191	0.7
111.04459	6.6
111.05587	1.2
111.08080	2.2
112.07583	0.7
118.06535	2.6
119.06071	2.5
120.06844	8.6
125.02361	31.2
125.06010	1.9
125.07070	1.0
125.07942	0.9
126.02680	1.5
126.09156	51.4
127.09522	1.6
127.99975	1.5
129.97939	1.4
130.96306	8.9
133.07617	3.6
135.04408	2.4
135.09178	100.0
136.03976	1.2
136.07564	1.9
136.09557	4.2
137.02415	1.0
148.97354	16.3
153.05440	3.4
153.10226	87.0
154.04980	5.5
154.08627	3.4
154.10555	3.6
156.93077	0.8
170.48318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
50.96859	1.1
53.03949	3.2
55.01873	1.4
55.05516	12.7
57.03438	5.2
57.07067	1.6
59.74099	1.2
65.03943	2.9
66.11961	1.2
67.05514	35.1
69.03437	2.5
69.07077	50.8
70.07407	1.4
70.83923	2.3
70.95858	2.2
71.04999	3.2
71.95273	10.0
79.05064	2.2
79.05502	28.1
81.07065	44.5
83.04969	4.4
83.08630	7.5
85.06560	3.2
90.85790	1.1
91.05492	5.8
93.07055	53.7
95.04991	3.4
95.08621	20.3
96.08946	1.4
97.06548	22.0
105.07016	2.1
107.08607	53.8
109.10169	36.4
110.10461	1.6
111.08080	5.8
111.11723	1.7
126.06337	2.0
135.11707	100.0
136.03961	1.4
136.12030	5.6
138.05031	2.1
148.97395	1.3
153.05464	2.3
153.07518	1.5
153.12762	77.6
154.05026	2.7
154.13103	4.6
154.15909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01847	0.5
55.05511	52.4
56.05848	1.4
57.03434	0.9
65.03937	0.7
67.05502	1.1
68.96331	0.6
69.03431	1.2
69.07062	2.2
69.41134	2.3
70.94267	0.9
70.95853	0.4
79.05482	2.5
81.07049	1.7
83.04980	100.0
83.08640	0.7
83.31720	0.4
84.05327	2.1
87.78774	0.4
91.05480	1.6
93.07027	2.4
95.04967	1.6
95.08602	1.4
97.02869	0.7
97.06526	1.8
105.07023	0.7
107.08585	4.8
109.06548	0.7
109.10174	1.2
111.04464	0.9
111.08083	3.5
125.06040	0.6
130.96306	0.5
135.08055	3.5
135.11710	1.6
136.07544	0.7
138.06738	0.5
148.97366	1.7
153.01881	0.5
153.05479	0.8
153.06693	0.6
153.09140	1.9
153.12749	10.8
153.13918	0.8
154.04990	0.9
154.13095	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Artemisia ketone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	0.3
55.05512	55.0
56.05842	1.1
57.03432	0.7
65.03950	0.3
67.05505	1.0
68.96343	0.4
69.03431	0.8
69.07069	0.8
70.84754	0.2
70.94263	0.4
71.29633	0.4
79.05508	0.9
81.03401	0.3
81.07066	1.1
83.04980	100.0
83.08631	0.3
84.05311	2.4
91.05476	0.8
93.07057	1.7
95.04970	1.0
95.08607	0.6
97.02895	0.3
97.06532	1.3
105.07071	0.3
107.04964	0.3
107.08580	2.4
109.06550	0.5
109.10168	0.9
111.04411	0.4
111.08075	2.1
125.02299	0.5
125.09612	0.4
126.05545	0.3
130.96323	0.6
135.11655	0.7
136.07574	0.6
148.97339	0.9
153.05426	0.7
153.06601	0.3
153.09091	0.6
153.12744	9.4
154.04971	0.5
154.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	DDA
Peak:m/z	Relative Intensity
50.36906	0.3
53.03945	2.1
55.05511	56.7
56.05850	1.2
57.03421	0.5
59.05014	0.7
59.83528	0.3
65.03938	0.5
67.05505	2.0
68.96346	0.4
69.03449	0.7
69.07062	2.6
69.08888	0.6
69.09293	1.4
70.94266	0.4
71.95270	0.5
79.05495	1.8
80.32012	0.3
81.07049	1.6
83.04980	100.0
83.08645	0.4
84.05298	2.3
91.05476	1.5
93.07047	2.9
95.04978	0.8
95.08604	7.0
97.06528	2.6
107.04919	0.3
107.08597	3.5
109.06533	1.0
109.10158	3.8
111.04424	0.4
111.08078	2.6
125.09612	0.6
130.96355	0.3
135.08064	0.6
135.11684	1.4
136.03976	0.3
148.97392	0.8
153.05447	0.6
153.09167	0.7
153.12747	10.7
154.05014	0.7
154.13043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	0.7
55.05498	4.0
55.93520	1.3
57.03434	1.7
57.07077	100.0
57.16160	0.5
58.07421	2.0
65.03934	0.7
67.05502	2.6
69.03450	1.1
69.07065	1.6
69.96161	0.7
70.11333	2.2
70.11685	0.9
70.42516	0.7
70.95866	13.5
72.93787	14.0
73.02937	0.8
81.07066	3.7
83.04986	4.5
85.06546	12.0
88.96914	2.4
90.94828	3.2
91.76540	0.7
95.04987	1.6
95.08628	2.8
98.98475	2.2
99.04469	1.5
99.08102	0.8
109.10176	1.0
110.06043	0.7
110.07173	1.0
111.04460	2.3
111.98509	3.8
113.06008	3.6
113.96432	2.5
127.07589	1.5
129.99524	1.8
131.96237	1.9
131.97456	2.5
132.95844	14.4
137.06004	1.1
141.07033	1.5
149.97244	2.1
150.96893	22.5
155.07083	6.8
155.08421	1.5
155.14262	4.0
155.97437	1.3
156.09402	2.7
173.98567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03932	1.7
55.05269	2.3
55.05511	20.9
55.93512	2.1
56.31333	1.4
56.96576	1.2
57.03454	1.7
57.06884	1.1
57.07078	10.8
62.96668	1.6
67.05510	11.8
69.03414	2.7
69.07069	62.2
69.35462	7.9
69.96170	1.5
70.06578	1.3
70.07401	2.4
70.95866	27.8
71.04977	4.4
71.08632	100.0
72.08973	3.0
72.93790	27.1
74.06082	1.4
79.05501	1.5
81.07056	23.8
83.04987	11.0
83.08622	3.2
85.06545	74.4
86.06870	2.9
86.09711	12.0
88.96907	8.2
90.94823	8.8
95.08608	23.1
97.06504	1.3
98.79656	1.2
98.98468	7.3
99.04452	5.5
99.08095	47.1
100.08421	1.8
100.11261	2.1
109.10146	5.0
110.06025	1.7
110.07178	2.8
111.04432	7.3
111.98485	10.0
113.06014	6.5
113.96404	5.8
126.24429	1.4
127.07559	4.3
129.99516	4.5
131.96136	3.9
131.97401	4.3
132.95836	30.4
137.06032	1.6
149.97192	5.7
150.96889	54.9
153.06969	1.5
155.07033	13.6
155.08249	2.8
155.10744	1.9
155.14305	89.1
155.97461	3.3
156.08080	2.4
156.14656	5.7
168.97960	1.4
173.98512	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	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
52.05359	0.9
58.80169	0.8
71.28395	1.2
74.09718	19.4
74.80613	0.9
82.15348	0.8
83.06107	1.5
96.96912	6.8
98.03725	1.0
101.29880	0.9
110.06570	0.9
110.07186	9.5
112.05259	7.9
130.06303	25.3
131.01794	1.1
132.01996	3.7
133.01645	1.9
133.03426	1.1
140.61180	1.0
156.04211	100.0
157.04582	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	156.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86627	0.2
54.90956	0.2
55.01872	3.0
55.41574	0.2
55.93527	0.2
56.05037	1.2
56.96565	2.1
57.03439	0.2
58.99872	0.5
60.00638	0.2
68.05031	1.0
69.03412	0.3
70.06585	0.6
70.64899	0.2
70.95860	4.3
71.04981	0.5
71.95270	0.4
72.08159	0.4
72.93784	3.0
73.02940	0.2
74.09711	0.2
75.93973	0.2
77.00894	0.4
81.04543	1.0
82.01431	0.5
82.05309	3.1
82.99810	1.1
83.01343	0.4
83.06100	12.3
84.01541	0.2
84.05279	0.2
85.01398	0.3
85.02875	0.2
88.96912	1.2
89.00892	0.4
90.84784	0.2
90.94816	0.8
93.04524	9.1
95.06090	7.3
96.01663	0.4
96.04480	0.2
96.06438	0.3
97.02879	0.3
98.01418	0.2
98.97573	0.6
100.02477	2.6
101.00872	12.8
102.00963	0.7
102.40107	0.2
103.02448	1.2
104.01340	0.2
105.02170	0.9
110.01419	0.6
110.07159	100.0
111.04466	0.2
111.05554	0.8
111.06816	0.5
111.07488	2.1
111.98470	1.6
113.00856	0.2
114.00935	0.4
114.04026	0.5
114.05516	0.2
115.00596	0.6
115.02413	2.1
115.08670	0.2
116.98656	0.4
117.02129	0.3
118.01143	0.2
118.03534	1.9
119.01913	55.1
120.01995	4.1
121.01649	0.7
121.02458	0.2
121.03474	0.6
124.02457	1.2
125.01802	0.2
125.02636	0.2
128.98573	0.2
129.99498	0.6
130.06238	0.2
131.01904	1.4
131.05525	0.2
132.01990	3.2
132.05057	5.7
132.95834	4.2
133.01666	4.4
133.03458	9.2
133.05150	0.7
134.03592	0.5
134.99657	0.5
136.04591	0.3
137.02946	21.4
138.03072	1.3
138.03993	0.3
142.03494	18.6
143.03651	1.2
145.03455	0.2
147.03790	1.9
149.01180	0.3
149.02921	0.2
150.03047	0.9
150.06114	3.7
150.96886	7.7
151.02676	1.2
151.04506	4.2
151.06169	0.4
153.01392	0.3
155.97348	0.4
156.02132	0.4
156.03197	0.4
156.03973	0.3
156.05220	2.1
156.06720	0.3
156.07672	6.6
156.10149	0.5
156.97479	0.4
157.01532	0.3
157.03448	1.4
157.04816	0.3
157.10852	0.3
160.02367	0.4
160.04552	6.9
161.02902	0.2
161.04689	0.4
165.04970	0.8
168.97949	0.3
173.98497	0.5
174.03087	1.0
174.06116	4.8
174.98598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01875	6.4
55.05506	0.4
56.05036	1.6
56.96563	2.5
57.03433	0.4
58.02957	0.2
58.06619	0.2
58.99872	0.5
59.99951	0.2
60.04510	0.3
60.99598	0.2
67.05511	0.2
68.05027	1.3
69.03433	0.8
69.51260	1.0
70.06595	0.8
70.95866	1.7
70.98110	0.3
70.99846	0.2
71.01338	0.2
71.05009	0.2
71.95258	0.2
72.08162	1.1
72.93795	0.9
73.02917	0.5
77.00915	0.4
79.05491	0.2
81.03432	0.2
81.04532	0.9
82.01437	1.1
82.05328	2.6
82.06584	0.4
82.99831	0.8
83.01311	0.4
83.05011	0.3
83.06102	11.6
84.06468	0.3
85.01408	0.7
85.02912	0.2
85.07666	0.2
86.02442	0.6
87.04469	0.4
88.96909	0.3
89.00902	0.5
90.94805	0.2
93.04528	8.7
94.04202	0.2
94.04867	0.2
95.06093	7.4
96.01671	0.4
96.04542	0.2
96.06456	0.2
96.08134	0.3
97.01415	0.2
97.02905	0.4
98.01424	0.2
98.06052	0.2
98.09692	0.2
98.97578	1.0
100.00087	0.3
100.02486	4.1
101.00877	11.2
101.02606	0.4
102.00953	1.0
103.00655	0.3
103.02455	1.7
104.02544	0.2
105.02164	0.4
110.07165	100.0
110.97559	0.2
111.04427	0.2
111.05579	0.9
111.06836	0.6
111.07498	2.7
111.08175	0.3
111.98476	0.7
113.00857	0.5
113.03531	0.4
113.10765	0.7
114.01018	0.5
114.04042	0.6
114.05500	0.3
115.00648	0.9
115.02441	1.6
116.98627	0.6
118.01147	0.5
118.03519	2.2
119.01921	41.0
120.01995	3.9
120.03207	0.2
121.01640	0.6
121.02509	0.1
121.03487	1.1
124.02435	1.0
124.50818	0.2
128.98526	0.2
129.10233	0.2
129.35092	0.2
129.99530	0.2
130.06349	0.3
131.01923	1.3
132.00920	0.4
132.01985	2.8
132.04132	0.3
132.05070	4.6
132.95833	1.9
133.01672	3.8
133.03464	10.7
133.05110	0.4
134.03600	0.7
136.04541	0.6
137.02951	13.5
138.03046	1.2
139.02530	0.3
142.01210	0.4
142.03497	13.7
142.96492	0.3
143.03595	1.5
145.03447	0.4
147.03773	1.4
149.02965	0.2
149.06601	0.3
150.03085	0.7
150.06114	2.9
150.96887	3.0
151.02689	1.2
151.04539	3.8
151.06258	0.4
152.04646	0.3
153.51472	0.3
156.02049	0.3
156.04131	0.4
156.05167	2.3
156.06712	0.2
156.07686	6.4
156.10219	0.9
156.11343	0.2
156.13817	0.2
156.97542	0.3
157.01460	0.7
157.03476	1.8
157.04805	0.2
157.08028	0.3
160.02196	0.6
160.04555	4.6
160.05898	0.3
161.04747	0.3
165.04916	0.6
167.73631	0.2
173.98535	0.2
174.03044	0.5
174.06116	3.8
174.98633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
51.87711	0.2
52.81042	0.2
55.01875	6.3
55.05517	0.3
56.05036	1.1
56.96312	0.3
56.96539	1.1
57.03438	0.3
58.99857	0.2
60.59262	0.2
67.05521	0.3
68.05038	1.0
69.03429	0.3
70.06605	0.9
70.95866	1.0
71.28529	0.3
71.28890	0.2
72.08155	0.6
72.93790	0.7
73.02921	0.3
74.09721	1.8
77.00940	0.3
81.04539	1.0
82.05318	2.8
82.99852	0.3
83.01376	0.2
83.05044	0.5
83.06104	12.8
84.04477	0.3
84.05344	0.2
84.06466	0.2
85.02901	0.3
85.07674	0.3
86.09719	0.8
90.94803	0.2
93.04532	8.3
95.06095	7.1
96.04476	0.3
96.08149	0.3
96.96918	0.4
97.02898	0.5
100.02437	0.3
101.00880	5.8
101.02361	0.2
102.00985	0.7
103.02443	0.7
110.07166	100.0
111.00797	0.2
111.04449	0.4
111.05585	1.7
111.06820	0.5
111.07489	2.2
111.98457	0.2
112.05280	0.2
113.03515	0.2
113.10765	0.3
114.00959	0.5
115.00629	0.4
115.02423	0.5
118.03535	0.3
119.01920	19.0
120.01997	2.1
120.03340	0.2
121.01639	0.4
121.03484	0.2
124.02445	0.7
129.99573	0.2
130.06308	2.5
131.01901	0.8
132.02016	1.9
132.05077	0.5
132.95859	1.2
133.01659	2.8
133.03435	2.4
133.05225	0.2
137.02962	5.8
138.03069	0.5
138.05450	0.4
138.09088	0.4
142.03506	6.4
143.03683	0.6
149.01257	0.2
150.03073	0.5
150.06094	0.5
150.96889	2.4
151.02724	0.5
151.04517	0.7
156.04198	8.1
156.06380	0.5
156.07689	6.6
156.10161	0.9
157.01440	0.6
157.03479	0.3
157.09708	0.3
160.04567	2.5
165.05070	0.3
174.03064	0.3
174.06172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79033	0.5
55.05509	1.8
55.99704	0.5
56.96563	14.9
57.07081	0.6
57.93565	2.5
58.06593	2.3
61.25203	0.6
67.05501	0.8
68.05028	0.8
69.81161	0.8
69.81557	1.6
70.06592	59.3
71.04993	2.6
71.06931	1.9
71.95264	3.9
75.42886	0.6
75.94617	1.0
81.07068	1.5
82.06522	0.5
85.07665	2.2
95.06082	1.5
95.08615	2.3
95.16572	0.5
96.08142	0.7
97.07660	0.8
97.10174	1.3
97.99191	0.9
98.06042	1.1
98.22742	0.7
98.97585	100.0
99.04451	0.8
99.97967	1.1
112.08728	49.4
113.07140	2.5
113.09057	1.3
115.08686	1.2
116.00249	0.7
116.07089	10.8
116.97368	6.6
116.98620	57.7
119.01918	1.0
121.01683	2.3
131.01895	1.1
134.95949	0.8
134.99655	18.3
140.00166	1.1
141.06577	2.8
144.03279	0.6
152.96935	2.2
153.00690	1.8
158.01219	0.9
158.09253	51.4
158.15396	5.7
159.07639	0.9
159.09602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
56.96563	1.1
58.06598	2.2
60.05653	1.1
68.05025	2.0
69.07056	0.6
69.51069	0.5
70.06592	100.0
71.04988	3.8
71.06937	3.2
76.46661	0.6
78.29404	0.6
81.07062	1.0
81.85565	0.7
84.08124	0.7
85.07675	2.6
95.06092	2.9
95.08585	1.1
97.07671	2.1
97.10196	0.9
98.06047	1.9
98.97579	5.3
99.01929	2.1
99.04453	2.4
101.00887	2.2
103.00617	1.0
112.08732	86.9
113.07134	4.0
113.09052	2.1
115.08709	2.1
116.07092	18.8
116.97202	0.9
116.98626	2.5
119.01909	3.0
121.01687	3.7
130.03510	2.4
131.95500	0.6
134.99641	0.8
141.06564	5.3
144.03235	1.3
158.09250	95.2
158.15384	1.9
159.07587	2.0
159.09718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0653
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.30621	0.6
51.02373	1.2
53.03949	35.4
53.79158	0.7
54.04283	0.9
55.05517	1.4
56.96568	4.8
58.17296	0.7
59.05003	18.3
59.55109	0.6
59.93118	1.4
67.05508	1.1
69.10318	5.0
71.04997	20.2
71.95272	1.1
72.08157	1.9
76.93405	0.8
77.94128	0.9
81.03419	100.0
82.03757	2.7
83.04978	2.8
85.06544	4.3
91.05472	3.4
98.97585	18.4
99.04462	21.7
99.97929	2.4
103.05466	1.9
105.07030	5.7
113.06008	94.6
114.06348	3.1
114.09157	1.0
115.05472	1.5
116.98620	13.8
116.99431	0.9
117.05736	1.7
117.07024	5.0
117.98956	1.1
118.06528	1.0
118.96747	4.6
119.01929	0.8
119.08599	3.1
127.03924	4.2
129.07008	4.2
130.06551	1.9
130.07768	1.6
131.04941	3.2
131.06868	1.0
131.08560	10.0
132.08084	5.6
134.99657	6.7
136.00034	1.1
141.05473	14.1
142.03513	1.0
142.07672	0.6
144.09351	9.4
154.96461	1.6
155.93549	0.6
159.04401	1.9
159.06718	1.0
159.08047	1.5
159.09213	4.8
159.11688	22.4
159.15671	0.8
160.04645	0.9
160.07584	2.6
160.12065	1.1
178.05582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.19967	0.5
53.03946	1.1
55.05502	0.5
60.84236	0.4
67.05512	3.5
69.09498	0.4
79.05506	4.1
81.07056	3.5
91.05481	18.5
93.07072	2.1
98.06026	0.5
103.05472	1.0
105.07029	14.2
106.07331	0.6
108.96682	0.5
114.09159	0.6
115.05451	6.6
116.06265	2.6
116.98601	0.9
117.07020	56.3
118.07260	2.7
119.08585	5.3
120.08888	0.5
128.06238	0.9
129.07008	11.2
130.07800	15.5
131.08569	95.6
132.08937	5.2
133.28360	0.5
142.07796	1.2
144.09346	9.7
157.10136	3.2
159.08046	1.7
159.11690	100.0
160.07603	0.7
160.09766	0.6
160.12024	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05511	3.4
69.43249	3.8
79.05489	4.6
81.07056	2.7
86.92761	0.5
91.05471	18.0
91.05995	1.1
93.07054	1.7
105.07027	15.1
106.07335	1.1
114.09161	0.9
115.05421	5.8
116.06219	2.9
117.07014	49.5
118.07262	1.2
118.96748	1.4
119.08582	5.9
129.06989	10.7
130.07794	14.4
131.08563	88.3
132.08885	4.3
142.07774	0.7
144.09337	9.7
145.09729	0.8
157.10117	2.5
159.08041	1.7
159.11682	100.0
160.07524	0.8
160.09747	0.7
160.12010	6.6
165.03125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28938	0.5
55.69218	0.6
67.05506	3.6
70.06580	0.8
71.31059	0.8
79.05492	5.1
80.99668	0.6
81.07058	3.8
81.57751	0.6
91.05486	19.4
92.05814	0.9
93.07055	1.0
103.05469	1.2
105.07033	16.6
114.09153	0.9
115.05458	5.3
116.06261	2.4
117.07016	55.5
118.07390	1.9
118.96716	1.1
119.08575	5.6
124.99886	0.7
128.06233	1.2
129.07016	11.8
130.07793	15.9
131.08571	100.0
132.08891	5.4
144.09351	7.2
145.09647	0.7
157.10138	2.5
159.11688	98.0
160.07523	0.7
160.12019	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	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35489	0.1
55.68917	0.1
59.93120	1.3
60.00646	0.2
71.27289	0.2
77.48734	0.2
77.94143	0.2
82.01434	0.2
82.99840	2.8
100.02489	2.8
101.00884	32.3
102.00980	0.7
102.36962	0.1
111.00475	0.2
118.03526	6.9
118.96768	3.0
119.01924	100.0
120.02000	2.1
121.02334	0.3
124.02449	3.0
125.02562	0.2
136.04553	4.2
136.95439	0.3
137.02959	29.6
138.03029	0.4
142.03503	32.9
143.03633	2.7
144.77400	0.2
150.95689	0.3
154.96480	1.0
160.04559	32.8
161.02965	1.9
161.04686	2.6
161.07014	0.1
165.05087	0.4
178.05617	9.7
179.04001	3.3
179.05719	1.0
179.75810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31512	0.2
56.96585	0.2
58.87093	0.2
58.99856	0.2
59.93102	0.8
61.82246	0.2
69.64950	0.9
70.06590	0.4
70.20331	0.2
72.08144	0.6
77.94155	0.3
78.50375	0.2
82.01448	0.3
82.99838	2.8
83.04480	0.2
84.08149	0.4
86.06073	0.3
87.04465	0.5
95.95181	0.2
98.15180	0.2
98.97581	0.7
100.02483	3.3
101.00880	35.4
101.05986	0.3
102.00954	0.6
111.00449	0.2
116.04725	0.6
116.98597	0.4
118.02655	0.3
118.03520	7.3
118.96765	2.4
119.01920	100.0
120.01984	2.5
124.02451	3.0
132.02040	0.6
133.01611	0.4
136.04555	4.0
136.95387	0.2
137.02956	30.8
138.03096	0.6
142.03502	33.5
143.03603	2.0
146.87471	0.2
150.03151	0.3
154.96439	1.0
160.04553	34.0
161.02940	2.0
161.04649	2.2
165.05139	0.5
178.05614	9.9
179.04001	3.3
179.05667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22745	0.2
53.83753	0.2
55.01874	0.5
55.05503	0.5
56.05028	0.4
56.96562	1.0
57.03436	0.4
57.04552	1.0
58.99856	0.4
59.04996	0.5
59.36060	0.2
60.00627	0.3
60.08153	0.8
61.02913	0.3
68.05008	0.3
69.03420	0.7
70.06588	1.7
71.04990	0.3
71.28639	0.3
72.04527	0.3
72.08140	1.2
73.02914	0.5
74.07203	0.6
77.00915	0.3
77.21574	0.2
77.99162	0.2
81.03395	0.3
82.99821	1.8
83.04996	0.4
84.04512	0.9
84.08150	1.3
85.02882	0.4
85.91779	0.2
86.06075	1.9
87.04468	3.1
96.04463	0.3
96.08135	0.4
97.02905	0.7
98.97591	1.1
100.02480	2.0
100.07621	0.4
101.00877	22.4
101.02380	1.0
101.06027	0.9
102.00980	0.6
103.02433	0.3
104.01923	0.3
104.03963	0.2
104.07111	1.0
105.07023	0.4
114.05535	1.0
114.09158	1.9
115.05461	0.3
116.04735	9.3
116.98636	0.7
117.05064	0.4
117.98949	0.5
118.03525	7.7
118.96751	0.6
119.01917	100.0
120.01988	3.0
121.01637	0.6
121.02393	0.5
124.02446	2.0
125.07111	0.6
129.01833	1.1
131.01910	0.4
132.08028	0.3
133.03477	1.2
133.06537	0.3
134.99660	0.6
136.04555	6.2
137.02951	41.8
138.03059	1.0
139.03438	0.3
142.03497	30.9
142.08665	0.5
142.12256	0.5
143.01892	1.5
143.03636	2.5
144.06543	0.4
147.03061	0.2
147.04994	0.3
151.04514	0.5
157.03571	0.3
160.04564	39.7
160.07356	2.4
160.09668	1.8
160.10837	2.3
160.13327	2.5
161.02963	5.3
161.04668	2.8
161.09572	0.4
164.04117	0.3
165.05107	0.7
178.05609	14.3
179.04019	3.2
179.05765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
51.56220	0.2
55.01876	0.3
56.67411	0.2
56.96556	0.8
59.04980	0.6
59.93103	0.2
60.63230	0.2
60.83742	0.2
65.03928	0.2
67.04241	2.0
68.84345	0.2
69.22979	0.2
70.02979	0.8
72.08125	0.4
79.05490	0.7
82.99834	0.4
84.08134	0.6
86.06067	0.3
91.05472	0.8
94.04153	0.3
97.02911	0.2
98.97583	2.5
99.97929	1.0
100.02466	0.5
100.97176	0.6
100.97984	0.4
101.00260	0.4
101.00886	4.9
101.06020	1.3
105.07028	4.7
107.04885	0.2
114.09244	0.2
115.05453	18.3
116.04976	0.4
116.05800	0.6
116.98605	0.9
117.05757	10.1
117.07034	0.6
117.98944	0.7
118.03524	0.8
118.06546	0.7
118.96759	0.8
118.98256	0.4
118.99082	0.4
119.01917	12.5
123.87253	0.2
124.02438	0.5
130.06531	1.3
131.04945	0.8
131.07285	1.0
132.04492	0.3
132.08086	20.3
133.05252	0.9
133.06477	4.3
133.08430	1.1
135.99947	0.2
136.04561	0.4
137.02936	3.1
141.05746	0.2
142.03510	4.4
142.06500	3.3
143.03574	0.4
143.07303	2.5
144.04370	0.3
144.07632	0.2
145.05182	0.2
146.05972	0.5
159.06799	3.9
160.04764	4.3
160.07570	100.0
161.02991	0.4
161.04713	0.3
161.07916	4.9
171.05600	0.4
178.05641	1.0
179.04115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46716	0.1
58.03387	0.2
71.01945	0.3
72.08157	0.2
82.99834	2.0
84.08144	1.1
89.77046	0.1
97.02915	0.2
98.97586	0.3
99.96494	0.1
100.02533	0.3
101.00883	26.6
102.00943	3.2
102.02185	0.3
102.96902	0.4
103.00651	0.8
103.01242	0.2
116.98598	0.2
118.03542	0.2
119.01924	100.0
119.35910	0.1
120.02002	11.0
120.96543	0.2
120.97936	0.3
121.01646	2.3
121.02367	0.3
124.02480	0.2
125.02551	0.2
126.02263	0.2
133.01697	0.5
133.03445	0.2
133.06552	0.1
137.02959	31.5
138.03050	3.1
138.04196	0.3
139.02681	0.4
142.03497	1.5
143.01956	0.2
143.03619	3.8
144.03239	1.6
151.02711	0.2
156.97496	0.6
160.04587	0.5
161.02988	3.3
161.04694	4.3
161.09601	0.2
162.03081	0.3
162.04292	1.8
162.05499	0.3
162.11275	0.2
174.98572	0.6
179.04025	4.7
179.05719	1.4
180.04076	0.4
180.05441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24932	0.1
60.08148	0.1
60.95833	0.2
62.47446	0.1
70.42815	0.3
72.08141	0.2
82.99840	1.6
83.99898	0.2
84.04503	0.2
84.08142	0.8
85.02925	0.2
97.02921	0.1
98.97589	0.3
100.02476	0.2
101.00880	25.2
102.00940	3.1
102.96889	0.3
103.00650	0.9
105.07029	0.2
109.72175	0.1
116.07121	0.1
116.98619	0.2
119.01920	100.0
120.02003	10.6
120.03287	0.2
120.97929	0.2
121.01640	1.8
121.02379	0.4
124.02435	0.3
125.02571	0.4
130.08598	0.2
133.01653	0.4
137.02956	34.0
138.03056	3.1
138.04240	0.2
139.02699	0.5
142.03487	1.5
143.03615	4.0
144.03189	1.9
156.97479	0.7
160.04570	0.4
161.02960	3.5
161.04686	4.5
161.07094	0.4
161.09604	0.2
162.03130	0.2
162.04294	1.7
162.05434	0.2
162.07674	0.2
162.11276	0.2
174.98547	0.5
179.04016	4.9
179.05759	1.7
179.99025	0.3
180.04092	0.4
180.05418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.3
59.97076	0.2
66.81169	0.2
69.98821	0.4
69.99203	0.3
82.01435	1.0
82.41824	0.2
82.99837	3.0
83.99924	0.3
84.99609	0.2
85.27943	0.2
95.70706	0.2
96.41008	0.2
97.10173	0.2
98.97574	0.7
100.02473	3.1
101.00880	34.8
102.00940	3.8
102.96843	0.9
103.00640	1.0
115.97063	0.6
116.98602	0.2
118.03493	0.9
119.01919	100.0
120.01997	10.3
120.03327	0.4
120.97904	0.6
121.01658	1.6
121.02362	0.3
122.43169	0.2
124.97581	1.0
125.02550	0.5
127.47842	0.3
128.00293	0.2
133.98087	1.1
136.48375	2.0
137.02954	24.3
137.48267	0.4
138.03059	2.4
138.04240	0.3
138.96385	0.4
139.02682	0.3
142.03502	1.3
143.01874	0.2
143.03659	3.4
144.03210	1.6
145.48891	3.3
146.48718	0.4
149.00749	0.3
155.49352	0.2
156.97470	0.9
156.99724	0.2
160.04561	0.3
161.02948	3.5
161.04669	3.9
162.03081	0.3
162.04272	1.7
174.98541	0.8
179.04002	4.3
179.05724	1.2
179.99088	0.4
180.03981	0.3
180.05461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.2
56.05033	0.8
57.03436	0.5
58.06579	0.3
58.99582	0.5
58.99876	0.4
60.00632	0.2
60.04538	0.2
60.08163	3.9
61.02928	0.2
67.05482	0.2
68.05011	0.2
69.03440	0.3
70.06586	0.6
71.05009	0.2
71.27885	0.1
72.08143	0.4
73.02902	0.3
74.06077	0.6
77.00879	0.2
82.06593	0.2
82.99815	1.5
83.99970	0.2
84.04506	1.4
84.08142	5.4
85.02903	2.7
85.06556	0.3
86.99046	0.1
87.04527	0.2
90.05545	0.4
91.05447	0.1
92.91069	0.1
96.02431	0.2
97.02895	0.6
98.06053	1.1
98.09691	0.3
98.97584	0.2
100.02526	0.2
101.00877	20.1
102.00939	2.4
102.05533	0.2
102.09181	1.9
102.96884	0.2
103.00638	0.5
103.03940	5.3
105.06999	0.3
115.02478	0.2
115.09544	0.3
116.01716	0.3
116.07095	0.8
116.10731	0.3
117.05071	0.4
118.03535	0.4
119.01919	100.0
120.02000	10.7
120.03380	0.2
120.06562	0.2
120.97836	0.2
121.01646	2.5
121.02383	0.4
124.02431	0.2
125.02569	0.3
126.02266	0.2
126.09109	0.2
130.08643	0.9
131.01904	0.4
131.76256	0.2
133.01593	0.2
133.03487	0.5
133.07513	0.2
133.10049	0.2
134.08115	0.3
137.02953	39.2
138.03056	4.2
138.04239	0.3
138.96425	0.3
139.02625	0.6
142.03505	2.5
143.01947	1.7
143.03616	3.8
144.03215	1.5
144.06520	0.8
147.05038	0.3
151.04536	0.2
156.97469	1.5
157.03484	1.7
160.04587	0.9
161.02962	6.5
161.04681	4.3
161.07106	0.5
161.13029	0.2
162.03098	0.4
162.04318	1.7
162.05505	0.4
162.07640	0.4
162.11255	9.0
174.98529	1.8
175.04558	0.5
179.04010	4.5
179.05721	1.8
179.99100	0.4
180.04008	0.3
180.05421	0.8
184.04500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35283	0.2
53.03931	0.5
53.14974	0.2
55.01863	0.5
55.05502	0.7
60.04517	0.4
61.92862	0.2
63.02395	0.2
65.03931	0.3
66.59057	0.2
67.05489	0.3
69.03442	1.9
70.45001	0.5
71.49025	0.2
72.04511	0.4
72.08138	0.2
72.75829	0.2
74.06078	0.5
76.17380	0.2
79.05499	1.5
81.03423	0.4
84.04493	0.6
85.02908	0.4
88.03992	0.3
91.05479	5.2
92.05798	0.2
93.07062	1.5
95.04979	0.3
96.04506	0.3
97.02895	0.6
98.06055	0.6
101.95026	0.7
102.96882	0.6
103.05471	1.3
105.07034	21.9
106.06596	0.2
106.07372	0.8
107.04963	0.5
115.05459	2.2
116.06273	0.4
116.07049	0.3
117.05531	0.3
117.07015	1.3
119.01896	0.8
119.04920	0.4
119.08588	2.9
119.96056	0.3
120.08165	0.3
120.96499	0.5
120.97899	0.7
121.06510	2.9
127.05437	0.3
128.06226	19.0
129.06564	1.0
131.04927	2.6
131.08566	2.0
132.05687	1.0
133.06516	2.3
133.07468	0.5
133.10138	8.6
134.06004	0.5
134.06949	0.2
134.08092	0.4
134.10504	0.4
137.97087	0.3
138.03404	0.4
138.98915	0.3
139.75320	0.2
141.07004	0.8
143.08563	21.9
144.06563	0.5
144.08914	1.3
145.06488	6.2
146.07278	8.7
147.07617	0.5
148.73878	0.2
155.06041	1.3
159.08064	8.3
160.08441	0.5
161.09619	100.0
162.05518	1.0
162.07623	0.7
162.09990	6.4
180.04428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03948	0.6
53.48901	0.3
55.05510	6.7
62.77661	0.3
67.76971	0.3
69.07064	3.4
79.05492	2.3
81.07048	1.5
84.04485	0.8
91.05479	9.3
92.05847	0.4
93.07027	2.2
95.08580	0.3
103.05480	1.4
103.18662	0.3
104.06264	0.7
105.07030	21.8
106.07367	0.8
107.08594	1.4
115.05450	1.0
117.07010	3.4
118.04191	0.3
118.07858	0.3
119.08578	100.0
120.08884	4.4
121.10139	4.1
131.08575	3.2
132.09363	0.4
133.06482	0.9
133.10129	23.7
134.10463	1.3
143.04947	0.4
143.08525	0.5
146.07202	0.6
146.10905	1.5
157.50941	0.4
159.11719	1.2
161.05986	1.0
161.07181	0.5
161.09625	2.4
161.13254	26.6
162.13582	1.6
164.87605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	1.4
54.34156	0.6
55.05513	10.8
60.93131	0.6
67.05512	3.1
69.03448	1.4
69.07072	15.0
69.15739	3.2
69.16138	1.6
74.06080	0.9
79.05493	5.6
81.07053	6.6
83.08629	1.6
84.04491	1.4
85.02912	0.7
91.05482	17.3
92.05787	0.7
93.07054	5.9
95.04976	1.1
95.08609	0.9
98.22613	1.4
103.05474	2.7
105.07034	75.1
106.06590	0.8
106.07355	2.5
107.08593	4.6
111.42724	0.6
115.05474	2.7
117.07019	5.9
118.07799	0.7
118.14201	0.7
119.08583	100.0
120.08939	2.9
121.10149	3.5
128.06248	1.8
130.07805	0.9
131.04962	0.7
131.08565	10.3
132.09299	0.8
133.06541	3.0
133.10132	69.7
134.10507	3.9
143.08601	2.1
145.10114	1.7
146.07300	3.5
146.10931	5.0
159.11687	5.8
160.35542	0.6
161.05936	2.1
161.07184	1.4
161.09654	16.2
161.13264	99.5
162.05528	1.1
162.13605	4.7
163.95001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01862	2.0
55.05499	1.2
56.05038	2.9
57.03195	0.6
57.03442	7.2
58.06599	2.0
58.99580	2.0
58.99868	1.5
59.07377	1.5
60.04519	1.5
60.08166	46.6
61.02943	2.2
61.08506	0.5
69.03429	4.6
69.27953	0.5
69.28454	0.4
69.46999	1.5
69.47412	0.6
70.06596	3.9
71.01330	0.5
71.04988	1.7
71.30315	0.4
72.04501	1.4
73.02903	1.9
73.06552	0.9
74.06087	3.0
79.05466	0.7
80.04993	0.7
81.03402	1.1
83.88209	0.4
84.04504	6.6
84.08152	4.3
85.02906	32.2
85.06539	1.4
85.08445	0.8
85.75523	0.4
86.03237	0.7
86.99008	1.0
87.01897	0.9
88.03992	0.8
90.05500	0.6
93.32311	0.4
94.39989	0.4
95.04950	0.6
96.02393	0.6
96.04518	0.7
96.73246	0.4
97.02908	3.3
98.06053	7.3
98.09686	1.6
98.23289	0.9
99.04475	1.4
101.00882	2.4
101.02341	0.5
102.00958	4.7
102.02324	1.2
102.05532	1.4
102.09182	22.2
102.96862	0.7
103.00626	5.7
103.03941	55.6
103.09513	0.5
103.80078	0.4
104.04280	1.1
106.06512	0.9
111.02925	1.1
115.03934	0.5
116.01678	1.2
116.07077	3.8
116.10725	0.7
117.05553	1.0
118.03637	0.5
119.01917	6.0
120.02012	20.3
120.03284	1.1
120.06596	1.3
120.97903	1.0
121.01667	19.9
123.02914	0.6
123.99845	0.4
126.05550	0.7
126.09161	3.0
127.03928	1.9
130.06444	0.5
131.01906	3.0
131.09155	0.5
132.08177	0.5
133.02849	1.7
134.05966	0.4
134.08101	0.6
135.04410	1.6
137.02936	1.9
138.03052	6.5
138.04254	1.0
139.02678	6.3
143.01880	1.2
144.02089	1.0
144.03258	4.7
144.06552	2.9
144.10187	1.9
144.13820	0.6
145.01669	0.6
145.03467	0.5
149.02956	0.6
152.96863	0.5
155.01915	0.9
156.97516	2.5
157.03474	12.4
158.03622	1.0
161.02951	1.8
162.03076	1.8
162.04320	4.2
162.05499	2.3
162.07582	1.7
162.11253	100.0
163.02704	1.5
163.03883	5.3
163.11600	2.3
173.02948	1.0
174.98482	2.3
175.04486	2.7
179.99130	0.8
180.05244	1.9
181.03831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.00313	0.7
53.03946	2.0
55.01889	0.5
58.25436	0.4
62.01580	0.7
63.02363	2.8
65.45480	0.4
69.53329	0.7
69.53740	1.4
77.03934	0.8
79.05497	11.7
89.03918	82.4
90.04259	2.5
91.05492	0.8
95.04974	2.0
105.04510	0.7
107.04957	15.7
108.05273	0.6
117.03380	66.6
118.03728	3.0
119.04884	0.4
128.78099	0.4
135.04416	100.0
136.04758	4.7
145.02853	42.2
145.03905	1.9
146.03188	1.7
163.03905	72.2
164.04219	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	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01870	6.6
55.05503	3.8
57.03413	2.0
61.02919	1.7
63.02370	2.3
65.03935	2.0
67.05505	5.4
69.03429	8.8
69.07063	4.7
69.12987	8.7
71.04987	2.4
72.67112	0.9
77.03927	1.1
78.95272	1.1
79.05494	24.0
80.05834	1.0
81.03426	5.6
81.07045	4.6
83.04984	2.5
83.08594	1.1
85.02902	11.0
89.03916	75.8
90.04250	3.2
91.05477	24.8
92.02641	1.3
93.07040	22.9
95.04950	8.6
95.08596	3.5
97.02894	1.9
99.03928	1.2
99.04472	13.1
103.03944	15.6
103.05454	9.0
105.03379	3.7
105.04514	3.4
105.06393	1.3
105.07039	20.1
106.06564	2.3
107.04277	1.6
107.04961	21.0
107.08596	29.3
109.02873	1.3
109.10124	1.1
115.05463	4.6
117.03378	50.1
117.05733	2.5
117.07014	12.7
118.03714	2.4
118.06513	0.9
119.06059	1.5
119.08567	12.5
120.08092	1.4
121.06477	8.3
121.10139	15.4
122.07307	2.0
123.08104	1.1
127.03922	9.5
129.06963	1.2
130.06544	5.6
130.07745	6.1
131.04942	6.3
132.08096	6.0
133.02835	8.2
133.06532	1.5
133.10063	1.3
135.04414	100.0
135.08047	11.8
135.11661	10.2
136.03882	1.0
136.04736	5.0
136.07570	5.9
145.02850	37.7
145.06464	2.9
145.10123	22.9
148.08801	2.2
158.96298	1.0
163.03902	88.6
163.07536	12.9
163.11176	61.1
163.12239	2.5
163.14827	4.5
164.04213	3.6
164.07025	2.0
164.11542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
54.88953	1.2
55.01864	4.7
55.05503	4.2
61.02921	1.4
61.64680	1.3
61.94912	1.2
63.02383	2.1
67.05499	2.8
69.03437	7.1
69.07073	7.1
69.25189	1.3
70.56366	2.4
71.04987	4.6
76.39342	1.3
77.03915	1.9
79.05500	23.2
80.05012	1.4
81.03421	10.4
81.07064	6.5
82.07496	1.3
83.08611	2.7
85.02910	28.5
89.03919	72.6
90.04253	2.5
91.05491	18.9
93.07042	20.1
95.04957	10.9
95.08618	5.0
97.02872	1.6
99.04459	44.0
100.04802	2.0
103.03945	44.4
103.05463	6.0
105.03391	3.6
105.04525	2.4
105.07025	13.3
106.06552	1.9
107.04963	19.1
107.08597	32.9
109.02871	5.0
109.06538	2.2
115.05474	4.6
117.03379	55.7
117.05745	1.8
117.07016	11.6
118.03712	2.8
119.08599	11.9
121.06509	5.5
121.10144	19.9
122.16798	1.3
127.03916	22.4
130.06572	4.7
130.07777	3.1
131.04922	4.7
132.08119	5.5
133.02866	7.5
133.06487	1.7
135.04419	100.0
135.08046	5.6
135.11684	16.2
136.04755	5.6
136.07588	17.5
138.44250	1.3
145.01718	2.3
145.02853	36.4
145.03984	2.5
145.06532	4.2
145.10126	11.8
148.08841	6.4
150.40602	1.3
163.03911	91.0
163.07542	8.5
163.11179	48.5
163.12320	3.6
163.14818	6.8
164.04276	4.0
164.07092	7.9
179.72313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01874	4.6
55.05500	2.8
56.79613	0.8
57.03421	1.3
61.02928	1.0
63.02374	2.0
65.03931	1.7
67.05500	2.8
69.03436	5.0
69.07066	4.4
69.11594	0.9
71.04987	2.4
71.13524	0.8
73.02921	0.9
76.95766	0.7
77.03915	1.6
78.95280	1.3
79.05492	22.2
80.05008	1.2
81.03421	6.0
81.07051	5.3
83.04957	1.2
83.08601	1.3
83.34404	0.7
85.02894	9.3
89.03917	70.1
90.04243	1.9
90.50658	0.7
90.95967	0.8
91.05486	14.3
92.02639	1.3
93.03429	0.9
93.07054	18.0
95.04962	7.0
95.08601	3.0
97.05081	1.0
99.03817	1.5
99.04453	15.6
103.03949	16.3
103.05467	8.9
105.03398	3.3
105.04510	3.1
105.07031	11.9
106.06535	2.4
107.04406	0.6
107.04951	19.7
107.08601	24.1
108.08163	0.9
109.02889	2.3
109.06537	1.6
115.05425	4.8
117.03379	56.6
117.05732	2.1
117.07014	11.1
118.03707	2.7
119.04947	0.9
119.06079	0.9
119.08582	11.5
120.08150	1.1
121.00810	0.9
121.06506	5.2
121.10139	13.6
127.03902	8.9
128.06233	0.9
130.06540	5.2
130.07774	2.8
131.04945	7.3
132.08093	5.2
133.02873	5.7
133.06493	1.5
133.10176	1.0
135.04414	100.0
135.08018	5.4
135.11664	6.7
136.04808	3.9
136.07608	3.5
145.02850	42.3
145.06502	5.8
145.10118	12.7
146.03197	1.4
148.08780	1.6
163.03903	93.9
163.07498	9.2
163.11171	36.1
163.12338	4.1
163.14783	6.9
164.04301	3.7
164.07018	2.5
164.11600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	0.5
55.05497	0.5
58.66652	0.2
67.05505	0.6
69.03439	0.6
69.07073	1.1
70.03370	0.7
72.53991	0.2
76.82845	0.2
78.05695	0.2
79.05492	3.5
81.03434	0.2
81.07056	0.6
83.05001	0.3
91.05479	2.1
92.05811	0.2
93.07040	3.5
95.04989	1.0
95.08603	0.3
98.22699	0.2
103.05465	0.7
105.07035	2.0
107.04278	0.3
107.04960	4.2
107.08578	2.2
115.05407	0.3
117.07017	3.2
119.08570	0.9
121.06510	1.2
121.10134	0.8
130.06493	0.3
130.07803	1.2
131.04948	0.6
132.08076	0.3
133.02814	0.3
133.06471	2.6
135.04393	0.2
135.08066	2.5
135.11670	0.8
141.47131	0.2
144.43208	0.2
145.10133	5.3
146.10460	0.2
147.08031	3.5
148.08830	14.1
149.09161	0.5
163.03941	1.1
163.11179	100.0
164.10205	0.4
164.11520	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.41594	1.2
53.03946	9.9
55.01872	13.0
55.05511	8.4
56.05035	2.5
57.03421	4.8
57.07070	1.4
65.03934	3.5
67.05506	7.1
69.03428	18.9
69.07078	7.6
69.32966	8.0
71.04992	2.0
77.03921	2.8
78.95259	1.7
79.05491	39.3
80.05820	1.8
81.03393	3.4
81.07059	11.4
83.04964	4.5
84.04517	1.3
85.02912	7.2
89.03917	61.1
90.04252	2.5
91.05479	37.9
92.02621	1.6
93.03431	1.5
93.07040	52.6
94.06501	1.2
94.07353	1.7
95.04976	12.5
95.08589	3.6
99.04464	2.7
103.03934	3.6
103.05476	12.2
105.03374	5.3
105.04527	5.2
105.07029	48.6
106.06538	4.2
106.07234	1.5
107.04958	23.6
107.08591	62.0
108.08925	2.4
109.06491	5.5
112.64384	1.1
115.05442	6.0
116.06271	1.4
117.03380	45.7
117.05728	3.6
117.07020	26.0
118.03726	3.8
119.04966	1.3
119.06047	1.9
119.08588	19.9
119.49551	1.3
119.97901	1.9
120.08089	1.5
121.06516	9.1
121.10139	61.2
122.07266	2.9
122.10484	2.1
123.08050	2.9
127.03968	1.9
128.06215	1.6
129.07018	3.2
130.06544	7.1
130.07790	19.6
131.04916	12.4
132.08067	10.1
133.02841	9.4
133.06503	2.4
133.10144	1.5
134.07228	1.4
135.04417	94.8
135.08069	11.4
135.11693	31.6
136.04758	4.0
136.07567	11.0
136.12048	1.5
139.01791	1.5
140.95247	1.7
143.08557	3.5
145.02840	37.1
145.03914	1.3
145.06505	4.7
145.10127	49.3
145.11272	2.7
146.03154	2.3
146.10480	3.1
148.08844	3.3
158.96318	2.3
159.81007	1.2
163.03905	100.0
163.07498	13.3
163.11168	85.2
163.12279	4.9
163.14799	2.1
164.04242	5.0
164.07068	4.7
164.11601	3.6
164.90962	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03937	0.7
55.01869	0.7
55.05505	0.5
58.55407	0.1
63.02375	0.3
67.05495	0.7
69.03417	0.9
69.07063	1.4
71.04987	0.3
72.77212	0.2
77.03923	0.3
79.05492	5.4
80.05818	0.3
81.03381	0.2
81.07047	1.1
83.04981	0.6
85.02892	0.6
89.03917	6.3
90.04270	0.2
91.05483	2.3
93.07045	3.9
95.04974	1.6
95.08628	0.5
98.23473	0.4
99.04459	0.5
103.03932	0.6
103.05466	0.5
103.76660	0.2
105.03397	0.4
105.04542	0.4
105.07023	2.2
106.06590	0.2
107.04951	6.0
107.08595	2.9
109.06499	0.3
115.05443	0.4
117.03376	5.2
117.05751	0.2
117.07003	3.2
118.03739	0.2
119.04932	0.2
119.08571	1.2
121.06504	1.5
121.10137	1.2
127.03902	0.3
128.13976	0.2
130.06557	0.4
130.07788	0.9
131.04990	0.4
132.08084	0.7
133.02831	0.5
133.06474	2.4
135.04414	8.9
135.08044	3.2
135.11676	1.3
136.04732	0.6
136.07564	0.4
143.08586	0.3
145.02855	3.3
145.06560	0.2
145.10118	6.6
145.11267	0.3
146.10461	0.6
147.08034	4.1
147.09192	0.2
148.08829	14.2
149.09169	0.7
163.03914	7.9
163.11174	100.0
164.04245	0.4
164.07042	0.3
164.10204	0.3
164.11526	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	0.5
55.05497	0.5
58.66652	0.2
67.05505	0.6
69.03439	0.6
69.07073	1.1
70.03370	0.7
72.53991	0.2
76.82845	0.2
78.05695	0.2
79.05492	3.5
81.03434	0.2
81.07056	0.6
83.05001	0.3
91.05479	2.1
92.05811	0.2
93.07040	3.5
95.04989	1.0
95.08603	0.3
98.22699	0.2
103.05465	0.7
105.07035	2.0
107.04278	0.3
107.04960	4.2
107.08578	2.2
115.05407	0.3
117.07017	3.2
119.08570	0.9
121.06510	1.2
121.10134	0.8
130.06493	0.3
130.07803	1.2
131.04948	0.6
132.08076	0.3
133.02814	0.3
133.06471	2.6
135.04393	0.2
135.08066	2.5
135.11670	0.8
141.47131	0.2
144.43208	0.2
145.10133	5.3
146.10460	0.2
147.08031	3.5
148.08830	14.1
149.09161	0.5
163.03941	1.1
163.11179	100.0
164.10205	0.4
164.11520	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	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.05512	12.7
55.17799	1.4
57.07082	2.3
61.67225	1.4
67.05503	39.1
69.07063	18.1
70.92950	3.4
73.75270	1.7
79.05496	82.9
80.05015	1.6
80.05838	2.4
81.04543	1.8
81.06584	3.0
81.07060	59.4
82.07395	1.6
83.08614	11.3
83.40417	1.7
84.08116	1.7
85.06544	1.6
91.05471	18.6
93.07043	89.5
94.07362	3.8
95.04958	6.4
95.08608	63.0
96.08916	2.0
97.10157	1.7
105.03376	3.6
105.04482	2.0
105.07027	6.3
106.06533	4.5
107.04948	1.7
107.08594	78.4
108.08897	3.4
109.06524	1.9
109.10149	6.8
117.05753	4.2
117.06995	2.1
119.08595	4.0
120.08090	2.8
121.06570	2.2
121.10144	100.0
122.09698	1.4
122.10485	5.2
126.34614	1.4
130.06499	9.1
132.08090	8.8
133.02864	3.1
135.04393	4.3
135.08011	1.6
135.11681	9.7
145.10144	2.0
161.13223	1.5
163.03894	14.5
163.11186	9.9
163.12376	5.4
163.14821	72.9
164.07079	2.2
164.15201	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.88058	1.2
53.03943	4.1
55.01871	1.4
55.05512	12.4
57.07066	2.6
65.03942	2.1
67.05182	2.3
67.05508	30.6
68.05814	1.5
69.07065	17.7
69.92793	1.3
70.92396	3.6
73.76611	1.2
79.05494	78.8
79.29571	1.3
80.05033	2.1
80.05820	4.1
81.07056	54.3
82.07369	1.5
83.08625	12.1
84.08138	2.4
86.55286	1.3
91.05485	18.7
93.07047	90.8
94.07364	2.6
95.04964	5.2
95.08610	63.9
96.08940	2.6
97.10136	2.6
102.33317	1.3
105.03386	3.3
105.07028	7.3
106.06561	3.8
107.08598	76.7
108.08942	3.4
109.10139	4.3
117.05753	3.7
117.07014	1.6
119.08555	2.6
120.08098	1.5
121.10143	100.0
122.10484	4.4
130.06529	5.7
132.08051	9.1
132.85832	1.6
133.02870	2.7
135.04413	4.0
135.08083	2.2
135.11687	9.5
145.10046	1.7
163.03926	10.8
163.08699	2.0
163.11139	11.2
163.12378	4.1
163.14828	73.2
164.07103	2.7
164.15210	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03946	7.8
55.01867	2.5
55.05519	15.3
57.07064	2.4
57.36338	1.5
61.02922	3.6
67.05184	2.6
67.05507	38.4
69.07071	19.3
71.30257	1.5
71.30592	1.8
73.02901	2.2
73.66476	1.4
77.03895	2.0
79.05493	85.3
80.05011	1.8
80.05779	1.6
81.07057	65.8
81.50452	1.7
82.07360	1.8
83.08615	9.4
83.61871	1.6
84.08170	2.3
85.02891	4.4
86.10540	1.6
91.05487	22.7
93.07043	87.6
93.26675	1.5
94.07397	2.8
95.04964	9.0
95.08609	62.7
96.08919	2.0
97.02879	1.8
97.10137	2.1
105.03363	4.8
105.04517	4.3
105.07033	8.5
106.06559	4.4
107.08594	89.3
108.08907	3.5
109.06540	1.6
109.10150	6.2
115.24325	1.6
117.05792	4.2
117.06986	2.6
119.06136	1.6
119.08558	5.5
120.08062	2.0
121.10143	100.0
122.09684	2.4
122.10486	4.8
124.30509	1.5
130.06509	11.1
132.08067	12.3
133.02870	4.7
135.04402	8.0
135.07973	2.3
135.11697	14.4
136.07610	2.4
145.10118	5.1
163.03931	21.2
163.07527	2.2
163.11180	19.5
163.12387	6.6
163.14818	82.7
164.07054	2.4
164.10640	1.8
164.15216	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	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33772	0.5
57.39025	0.4
69.27443	0.4
69.38000	2.4
77.48850	0.4
82.01434	0.8
82.99844	5.3
88.19640	0.5
100.02473	0.9
101.00879	49.9
102.00951	2.6
117.03060	0.4
119.01919	100.0
120.02008	6.1
121.02315	0.5
123.89911	0.4
124.02440	5.7
125.02536	0.6
137.02951	18.6
138.03088	0.9
142.03499	61.0
143.03642	3.4
147.28079	0.4
160.04561	13.4
160.05908	0.7
161.04663	0.4
165.05110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76521	0.4
70.08841	1.4
82.01463	0.5
82.99837	5.4
84.89477	0.4
100.02466	0.9
101.00879	54.4
102.00938	3.1
108.97240	0.4
109.72383	0.4
112.58256	0.3
117.49198	0.4
119.01920	100.0
120.02004	5.8
124.02443	7.1
125.02548	0.5
130.51068	0.4
137.02957	18.0
138.03052	1.6
142.03497	59.8
143.03610	4.3
160.04559	15.3
160.05887	0.8
161.04732	1.1
165.05042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50529	0.4
69.81273	1.8
77.96892	0.4
82.01430	0.8
82.99837	4.7
83.00227	0.4
83.27174	0.4
84.93719	0.4
95.04984	0.6
100.02475	1.3
101.00883	46.5
102.00943	2.2
107.51038	0.4
111.00463	0.5
119.01922	100.0
120.01997	5.5
120.08130	0.5
123.04427	1.0
124.02441	5.8
125.02492	0.6
131.05136	0.4
137.02956	19.7
138.03058	1.4
142.03500	64.7
143.03632	4.5
160.04558	14.5
160.96022	0.5
161.04677	1.2
165.05132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70815	0.5
60.51767	0.6
75.21519	0.6
82.01476	0.6
82.99818	6.0
91.05468	1.2
95.04953	3.2
100.02505	1.0
101.00880	47.5
102.00944	2.6
103.05479	0.5
119.01919	100.0
119.04942	2.4
120.02016	6.2
120.08099	2.2
123.04430	4.4
124.02443	7.1
137.02953	19.5
138.03011	0.8
142.03497	60.3
143.03630	3.9
147.04366	0.6
160.04556	14.9
165.05132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
51.02393	0.2
53.03947	0.3
65.03931	1.7
68.54482	0.2
91.05478	29.1
92.05809	1.1
95.04976	1.4
96.46229	0.2
98.23474	0.4
101.00879	0.4
103.05463	0.3
119.01961	0.8
119.04938	58.6
120.05267	2.1
120.08103	1.1
123.04435	1.6
142.03554	0.3
147.04401	100.0
148.04739	3.6
152.92715	0.2
165.05492	0.7
165.07175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74886	0.2
51.02370	0.3
60.83846	0.2
62.83353	0.2
65.03936	1.7
66.73970	0.3
70.08165	0.4
70.08508	0.6
78.73324	0.2
91.05478	31.3
92.05807	1.1
92.96315	0.2
95.04987	1.3
95.05468	0.2
98.23369	0.3
103.05440	0.3
119.04939	58.6
120.05268	2.5
123.04469	1.6
147.04402	100.0
148.04735	4.8
165.05475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
65.03924	2.0
70.08209	0.4
73.49454	0.2
78.81765	0.2
81.07052	0.2
91.05476	32.2
92.05796	0.9
93.07045	0.3
95.04970	1.7
95.08588	0.2
98.22660	0.2
101.00904	0.3
103.05476	0.2
105.04569	0.2
105.07042	0.2
119.04936	59.7
120.05256	2.0
120.08089	0.2
123.04426	2.5
123.08202	0.2
125.32920	0.2
133.12384	0.1
142.03484	0.3
143.67474	0.2
143.68654	0.2
147.04399	100.0
148.03598	0.3
148.04736	4.4
165.05435	0.8
165.09134	0.2
171.71196	0.2
176.14874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.92735	0.2
53.03954	0.3
65.03929	2.3
69.64479	0.8
69.64891	0.5
71.07430	0.2
84.08223	0.3
91.05480	30.3
92.05814	1.0
95.04964	1.8
95.08588	0.3
119.04943	59.4
119.77566	0.2
120.05262	1.7
121.78922	0.3
123.04434	2.1
126.46769	0.3
142.03444	0.3
147.04407	100.0
148.04749	4.1
165.05516	0.8
165.09117	0.4
180.58568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03939	1.4
55.01862	1.5
55.05510	3.7
57.03424	0.8
67.05508	11.2
69.03419	2.5
69.07059	1.1
69.08291	1.2
69.08693	2.7
70.06564	0.5
71.70134	0.5
79.05484	5.2
81.03417	5.5
81.07059	6.8
82.99855	0.7
83.04984	10.2
83.08651	0.6
85.02905	0.8
91.05487	9.7
93.07040	5.2
95.04964	7.0
95.08610	15.8
96.08907	0.6
101.00879	7.4
102.00964	0.9
103.05454	2.6
105.07032	5.6
107.04960	2.6
107.08600	3.5
109.02871	4.6
109.06513	4.8
109.10154	14.1
110.10483	0.7
117.07009	1.7
119.01925	28.9
119.04924	1.7
119.08580	20.6
120.02026	1.9
120.08109	13.8
120.08877	1.0
121.06508	1.7
121.10121	1.6
122.07290	7.6
123.04447	1.8
123.08076	18.9
123.11719	1.4
124.02436	1.3
124.08362	0.9
127.31046	0.6
129.07056	0.7
132.05716	0.7
137.02989	6.0
137.05972	1.1
137.07965	0.7
137.09613	15.6
137.13214	0.8
138.09944	0.8
141.09059	0.7
142.02393	1.2
142.03487	17.3
143.03644	1.9
147.04382	3.2
147.08046	9.7
147.09201	1.0
147.11708	1.2
160.04576	4.9
165.05400	1.6
165.09117	100.0
165.12770	8.5
166.04948	0.7
166.09549	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	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01854	1.0
55.05510	8.1
55.54165	0.8
57.03422	3.9
57.07067	5.3
59.04995	3.3
65.03948	2.2
67.05504	37.3
67.53197	1.1
68.05859	1.3
69.03434	10.5
69.07069	11.0
69.11046	7.2
70.06596	0.8
71.04975	1.5
79.05492	18.4
81.03413	3.1
81.07056	35.1
82.07407	1.1
83.04964	4.3
83.08611	4.5
89.29725	0.9
91.05484	25.0
92.96751	0.9
93.07039	11.9
95.04967	56.7
95.08606	30.3
95.09081	0.5
95.09232	1.1
97.06545	1.2
101.00873	4.7
103.05437	6.3
105.04581	1.0
105.07024	18.7
107.04951	7.1
107.08593	44.8
108.05729	1.4
108.08922	1.2
109.06516	30.8
109.10136	4.1
110.07290	3.1
110.77771	0.8
117.06986	5.2
119.01921	12.9
119.04942	2.7
119.06023	0.9
119.08579	48.1
120.02012	1.1
120.07230	2.2
120.08105	44.8
120.08848	1.9
121.06484	2.0
121.10152	11.3
122.07291	1.6
123.04489	1.1
123.08072	47.7
123.10829	1.5
123.11705	27.4
124.08404	1.8
124.12039	1.1
129.06979	1.8
129.63271	0.9
131.04907	1.4
132.05664	5.3
137.02950	3.1
137.05952	1.8
137.09599	7.4
137.12364	1.6
137.13239	6.1
141.09094	1.3
142.03502	8.0
147.04381	4.2
147.08049	21.5
147.11674	10.9
148.12135	0.9
160.04552	1.4
165.09100	13.0
165.12753	100.0
166.08633	1.2
166.13063	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03942	2.5
55.01854	1.0
55.05510	8.1
55.54165	0.8
57.03422	3.9
57.07067	5.3
59.04995	3.3
65.03948	2.2
67.05504	37.3
67.53197	1.1
68.05859	1.3
69.03434	10.5
69.07069	11.0
69.11046	7.2
70.06596	0.8
71.04975	1.5
79.05492	18.4
81.03413	3.1
81.07056	35.1
82.07407	1.1
83.04964	4.3
83.08611	4.5
89.29725	0.9
91.05484	25.0
92.96751	0.9
93.07039	11.9
95.04967	56.7
95.08606	30.3
95.09081	0.5
95.09232	1.1
97.06545	1.2
101.00873	4.7
103.05437	6.3
105.04581	1.0
105.07024	18.7
107.04951	7.1
107.08593	44.8
108.05729	1.4
108.08922	1.2
109.06516	30.8
109.10136	4.1
110.07290	3.1
110.77771	0.8
117.06986	5.2
119.01921	12.9
119.04942	2.7
119.06023	0.9
119.08579	48.1
120.02012	1.1
120.07230	2.2
120.08105	44.8
120.08848	1.9
121.06484	2.0
121.10152	11.3
122.07291	1.6
123.04489	1.1
123.08072	47.7
123.10829	1.5
123.11705	27.4
124.08404	1.8
124.12039	1.1
129.06979	1.8
129.63271	0.9
131.04907	1.4
132.05664	5.3
137.02950	3.1
137.05952	1.8
137.09599	7.4
137.12364	1.6
137.13239	6.1
141.09094	1.3
142.03502	8.0
147.04381	4.2
147.08049	21.5
147.11674	10.9
148.12135	0.9
160.04552	1.4
165.09100	13.0
165.12753	100.0
166.08633	1.2
166.13063	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	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03937	0.3
70.30346	0.2
70.30685	0.4
77.03921	0.2
79.05495	1.6
88.11787	0.1
91.05487	1.2
93.07043	2.5
95.04953	0.2
103.05470	12.2
104.05793	0.4
107.04967	2.3
109.36697	0.2
120.08105	100.0
121.08448	4.6
131.04922	2.2
145.39735	0.1
149.05994	0.5
166.08633	1.1
172.40903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02368	0.1
53.03949	0.1
55.01870	0.1
59.08271	0.1
67.13759	0.1
68.05828	0.1
70.06567	0.1
70.88484	0.2
77.03923	0.2
79.05489	1.5
84.91409	0.1
91.05471	1.1
92.05827	0.1
92.88580	0.1
93.07044	2.5
94.06549	0.1
94.07409	0.1
95.04971	0.2
96.04472	0.1
99.79783	0.1
101.00845	0.1
102.00978	0.4
103.00617	0.2
103.05465	12.2
104.05788	0.4
107.04948	2.2
107.08600	0.2
111.01965	0.1
113.64413	0.1
118.06554	0.3
119.01933	0.5
119.07317	0.1
120.02013	1.3
120.08102	100.0
121.01639	0.9
121.06555	0.2
121.07806	0.2
121.08442	4.2
121.10133	0.2
131.04929	2.2
131.05916	0.2
132.05304	0.2
137.03001	0.1
138.03029	0.5
138.79726	0.1
139.02722	0.2
142.03497	0.1
142.96698	0.3
143.03609	1.0
144.03172	0.4
148.07513	0.1
149.05960	0.5
161.04738	0.3
162.04312	0.2
166.04996	0.2
166.08574	1.2
167.07028	0.2
167.10573	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03934	3.3
55.01883	1.5
55.05273	1.1
55.05512	14.7
57.07066	1.7
59.04989	2.8
67.05508	6.2
69.03414	3.0
69.07072	50.3
70.01781	1.4
70.02168	1.5
70.06575	1.9
70.07378	1.0
79.05063	1.3
79.05495	19.2
81.03382	0.7
81.04549	1.0
81.07056	12.1
83.04977	2.9
83.08642	4.8
84.96063	3.7
87.19725	0.8
91.05488	13.3
93.07045	77.2
94.07381	2.3
95.04953	3.2
95.08615	12.8
97.06535	7.7
97.10183	1.1
98.06039	2.2
98.98480	1.1
100.11263	1.9
102.97041	1.0
103.00624	5.4
103.05437	1.8
104.17551	0.8
105.04481	1.3
105.07037	20.0
106.07825	2.2
107.04962	1.4
107.06075	1.6
107.08617	5.1
109.06506	1.8
109.10136	1.3
111.05547	0.9
111.08079	1.3
111.11718	7.3
119.06059	1.4
119.08601	4.6
121.00835	1.6
121.01669	24.6
121.06495	1.3
121.07623	3.2
121.08376	2.5
121.10146	100.0
122.06030	1.6
122.10482	3.4
123.04365	1.3
123.08068	4.9
123.42300	0.7
124.05184	0.9
125.07046	1.1
125.09555	0.9
126.09132	1.0
131.08606	1.0
133.07603	2.3
139.02692	10.0
139.11194	2.7
140.07162	1.1
144.03233	12.8
149.02318	2.4
149.07106	2.3
149.09619	15.0
152.06206	0.9
162.04314	5.5
167.04802	1.0
167.07072	5.4
167.08235	5.6
167.10670	27.2
167.12057	1.7
168.06500	1.9
176.08559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	0.4
56.96606	0.7
57.03452	0.2
57.20222	0.2
59.35404	0.2
60.95889	0.4
67.01905	0.2
67.05547	0.5
67.92518	2.4
68.05067	0.2
69.07108	0.7
70.06609	0.4
70.25760	0.5
79.05516	0.2
80.05023	1.2
81.03447	0.4
82.26159	0.2
82.94846	4.2
84.04539	0.2
84.92809	0.2
85.02941	0.2
85.93593	0.5
92.05009	11.8
93.03422	0.2
93.04813	0.2
93.05367	0.3
93.07056	0.2
94.06587	0.4
95.01357	0.4
95.04998	0.3
96.04535	0.4
96.08192	0.2
98.06062	0.3
100.95901	0.4
108.04488	3.8
109.02889	0.2
110.06036	0.2
116.17562	0.2
119.01894	0.2
120.08141	0.7
121.01692	0.5
122.06047	0.8
122.08812	0.4
123.04436	0.5
123.08073	0.3
123.97446	2.1
126.05533	0.5
126.93784	1.4
134.06047	0.4
136.03937	5.8
137.04324	0.3
138.05473	0.2
140.07082	0.5
144.94838	1.7
144.95839	0.3
144.98090	0.3
145.03558	0.3
150.05513	1.6
150.09157	0.4
152.07068	1.2
154.04993	100.0
155.05347	3.6
156.03305	0.2
156.05362	0.2
162.95847	2.8
162.99098	0.2
167.00806	0.2
167.96388	0.3
168.06552	9.2
168.10132	0.8
168.13779	0.3
169.06790	0.4
169.13445	0.2
174.04405	0.5
177.00537	0.3
185.97478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42004	0.3
54.27280	0.3
55.05501	0.5
55.93536	0.3
56.96561	1.0
64.84512	0.3
70.08727	0.7
70.09087	0.7
70.94256	1.1
72.04521	2.1
73.55576	0.3
74.62372	0.3
80.05029	0.3
82.06541	0.4
83.08583	0.7
88.95295	1.0
89.07155	1.4
92.05007	1.0
93.05790	1.5
96.06868	1.3
97.07670	0.4
108.04466	0.4
109.07615	1.0
110.06055	0.6
115.05456	46.0
116.04980	0.9
116.05793	2.2
124.07614	0.7
126.10275	0.5
134.06026	1.6
140.04993	0.6
141.05754	0.3
142.06526	30.0
143.06026	1.3
143.06892	1.1
146.57466	0.3
146.96175	0.6
146.97383	0.3
152.07111	2.0
160.07605	1.2
170.06015	100.0
170.09584	3.5
171.05473	3.7
171.06461	3.2
171.14900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.07073	2.4
70.45011	0.6
72.04519	0.5
83.71617	0.2
86.06061	0.8
86.09704	100.0
87.10029	2.4
116.10723	0.8
128.10715	19.3
129.11057	0.6
142.12257	0.4
159.79425	0.2
170.11754	3.3
170.15546	0.2
171.11989	0.2
177.67601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02394	0.5
53.03930	1.0
55.01860	0.7
55.05507	1.1
56.96561	2.2
59.05001	1.0
62.09085	0.4
69.03429	15.6
69.07059	0.6
69.34225	1.4
69.34644	1.4
70.06596	0.9
72.04513	1.4
72.08157	4.8
73.02939	0.5
79.01851	3.9
81.03393	1.1
83.01347	1.2
83.04963	0.4
83.68932	0.4
86.09690	2.2
89.07149	1.2
96.06862	1.1
97.02891	42.8
98.03225	0.5
98.22599	0.9
98.97591	2.8
100.07615	0.4
107.01347	0.7
110.97568	0.8
111.04443	1.0
116.98647	2.2
119.01930	1.0
124.07616	0.8
125.02351	100.0
125.07078	1.0
126.02657	2.5
128.98624	1.1
134.99573	0.7
136.07547	0.6
139.03923	0.6
153.01840	3.5
154.08611	0.7
155.11812	0.5
171.02864	0.6
171.07700	2.3
171.11252	0.5
171.14948	1.0
172.09680	0.6
189.00623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
51.12535	0.3
53.03945	1.1
53.25601	0.3
55.01870	3.9
55.05510	4.1
56.96569	1.7
57.03441	0.5
65.03938	31.0
66.04259	0.6
67.05508	2.1
68.02642	0.4
68.99790	10.2
69.03430	3.3
69.07057	1.7
70.06583	2.0
70.94258	1.3
71.01342	0.5
71.04993	0.9
71.29078	0.4
71.95282	0.4
72.04520	5.6
72.08154	9.9
79.01845	1.0
79.05489	0.5
79.57402	0.3
81.03419	4.3
82.06568	0.8
83.01337	1.3
83.04978	12.0
83.08626	1.4
84.04519	0.3
84.05282	0.4
84.08134	2.3
85.02907	0.6
85.23126	0.3
86.09702	8.0
88.07639	0.7
88.95291	0.6
89.07150	4.2
93.03405	8.9
95.04977	0.5
96.02105	1.2
96.06879	0.9
97.02895	5.7
97.06541	0.7
98.06063	0.7
98.09674	0.7
98.97581	3.2
100.07605	1.8
101.04255	0.4
109.02890	0.7
109.21951	0.3
110.03687	0.6
110.97608	0.6
111.00803	1.0
111.04439	92.0
111.96874	0.4
112.04754	3.1
112.07652	0.5
115.05430	0.4
116.98613	3.3
121.02898	1.2
121.03988	9.2
124.42886	0.4
125.02351	7.7
125.06052	0.7
125.07130	1.7
126.05535	0.7
126.09143	1.8
127.03944	0.5
128.98563	0.5
129.79655	0.3
130.96313	0.6
134.99655	2.3
137.13223	0.4
139.03897	100.0
140.04202	2.9
143.11794	1.6
146.99687	0.6
148.97412	1.0
153.01857	0.5
153.05418	0.4
154.08659	1.6
156.09331	0.5
171.02884	0.8
171.05296	0.6
171.06526	4.4
171.07736	1.5
171.10046	0.5
171.11461	0.3
171.14912	2.8
172.07616	0.4
172.09689	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	171.138
Annotation	(1R,2R,4S)-p-Menth-5-ene-1,2-diol
Peak:m/z	Relative Intensity
55.05512	24.6
56.49690	1.9
57.07074	3.4
59.05008	3.5
61.02932	2.5
62.51049	1.5
67.05508	25.5
69.07084	11.4
70.77744	1.5
71.05025	1.9
71.08238	2.6
71.08633	44.4
71.30376	3.3
72.04517	100.0
72.08136	1.8
77.29303	1.8
79.05494	6.1
81.07055	14.7
83.04987	2.5
83.08627	29.0
85.06547	2.6
89.07159	71.3
91.05495	3.6
93.07037	4.9
93.68537	2.0
94.07386	3.3
95.08611	5.6
96.06799	1.9
96.27086	1.9
97.06546	9.7
98.65324	1.6
99.08096	33.2
101.06030	7.4
104.49719	1.6
107.08592	6.0
109.10159	25.3
111.08091	6.4
125.09615	1.9
136.08377	3.3
143.08600	2.7
153.12749	2.7
156.09357	6.0
171.05524	2.6
171.11600	5.4
171.13789	62.6
171.14984	40.0
172.11162	2.2
172.14134	4.3
173.11809	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	173.0208
Annotation	Glycerol 2-phosphate
Peak:m/z	Relative Intensity
51.52878	0.7
55.05513	12.6
57.03442	1.9
57.58599	0.9
59.04994	2.7
71.19727	0.7
72.93772	1.6
75.04490	1.6
76.02218	1.3
83.04980	13.4
86.06115	0.8
87.04465	2.4
89.02374	1.5
90.90398	1.2
90.94834	1.3
95.06092	1.5
98.98465	100.0
101.06017	8.6
103.03307	2.5
109.07665	2.1
110.97588	0.8
111.04436	13.4
116.99523	3.2
118.06551	2.1
127.07574	2.3
129.05449	5.5
130.06561	1.6
131.06033	1.3
131.08676	0.8
137.07150	1.5
140.01035	1.0
145.07613	2.1
145.76300	0.8
146.06018	1.8
149.94055	1.9
155.05904	1.4
155.07047	8.0
155.08206	1.4
156.04446	0.9
173.07091	1.6
173.08247	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	173.0961
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03943	1.5
55.05243	1.6
55.05513	32.4
59.04996	4.6
67.05499	2.4
69.03428	1.9
70.95859	1.0
71.28464	1.3
72.93788	11.8
79.05492	2.3
83.04486	1.8
83.04981	34.2
85.06526	0.9
87.04455	2.7
89.02391	2.7
90.90371	1.2
90.94836	9.9
91.05475	8.0
95.06082	1.4
99.04443	1.7
101.06023	21.9
103.03283	1.0
103.05447	1.6
105.07028	30.0
106.07369	0.9
108.95899	2.5
111.04445	36.1
111.98508	0.9
112.04809	1.0
113.05998	2.8
113.96410	1.2
115.05461	6.1
117.07016	16.2
118.06550	1.2
125.02611	0.7
127.07548	4.9
128.06223	4.1
129.05496	10.5
129.06996	7.3
130.07794	23.3
131.04958	1.6
131.08574	2.4
131.97423	2.8
132.95830	2.5
137.05920	0.8
143.08533	6.5
144.04659	0.8
144.05696	3.5
145.06503	9.7
145.10123	50.3
146.10445	2.7
149.96092	2.5
149.98460	1.5
150.96899	3.8
153.07001	3.5
154.07759	1.4
155.06070	1.3
155.07030	21.6
155.08540	13.5
156.07452	0.8
156.08946	0.8
157.06459	0.8
158.07278	33.4
158.10934	1.2
159.07697	2.1
162.06796	1.1
167.97061	3.6
173.08128	30.6
173.09630	100.0
174.05757	0.8
174.08565	1.3
174.09901	4.7
174.12639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02385	0.5
52.44889	0.4
53.03945	0.9
54.98729	0.4
55.05515	4.7
57.07080	1.9
59.05004	0.9
60.57386	0.4
60.62561	0.3
63.73780	0.4
65.03928	0.4
67.05507	3.0
70.85888	0.7
76.34799	0.4
79.05494	4.6
81.04532	0.5
81.07056	3.6
83.04984	3.9
91.05484	16.7
92.05819	0.6
93.07052	3.3
95.06043	0.4
95.08607	1.6
97.02887	0.4
98.36494	0.4
98.98454	0.6
99.04433	0.6
101.06034	2.6
103.03301	0.6
103.05486	0.6
105.07038	8.4
107.08590	1.6
111.04435	5.0
113.06016	0.5
115.05437	1.5
116.06248	1.8
117.07017	15.3
118.07368	0.5
119.08582	4.8
123.50163	0.4
127.07556	0.6
128.06258	0.6
129.05475	1.5
129.07019	5.0
130.07797	2.3
131.08569	100.0
132.08861	3.7
133.10197	0.4
143.08580	1.9
144.09349	2.5
145.10130	18.6
146.10422	0.5
148.07137	0.4
155.07031	3.6
158.10919	1.3
171.11685	1.0
173.08197	3.6
173.13263	69.8
174.13655	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	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.74522	0.5
55.05516	7.8
55.51218	0.4
57.07083	1.4
59.04999	0.9
61.68300	0.5
62.47385	0.5
67.05505	4.2
71.30296	0.5
76.02232	1.1
79.05494	3.8
81.07075	3.6
83.04987	8.1
83.73520	0.5
87.04463	0.8
90.94793	0.7
91.05489	17.0
92.05825	0.6
93.07038	2.9
95.06126	0.9
95.08610	2.0
98.98485	1.7
101.06014	5.6
103.03293	1.6
105.07041	9.7
107.08562	0.8
109.07681	0.6
111.04448	9.5
115.05455	1.5
116.06230	2.2
117.07025	14.7
118.07357	0.6
119.08569	3.7
119.56477	0.5
120.08945	0.5
120.97508	0.5
127.07576	1.2
128.07077	0.6
129.05553	2.7
129.06999	4.9
130.07814	2.6
131.08575	100.0
132.08842	4.7
138.67650	0.4
143.08603	1.5
144.09303	1.9
145.09006	1.1
145.10144	18.3
155.07047	5.3
158.10852	0.7
158.13254	0.6
171.11716	1.2
173.08214	7.9
173.13274	68.8
174.13808	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	1.5
55.01862	0.6
55.05512	26.7
57.03422	1.1
57.07068	0.8
59.05005	3.8
60.04532	3.2
63.70221	0.6
65.03936	1.6
67.05503	4.4
69.03414	1.7
70.06569	0.8
70.95862	1.7
71.29722	0.9
72.04492	0.7
72.93790	6.9
73.02929	0.7
79.05475	2.0
81.07049	3.4
82.64491	0.6
83.04984	26.3
84.04498	1.3
84.05286	0.7
85.02895	1.1
85.06532	0.9
86.09707	2.4
87.04460	2.0
87.05578	2.2
89.02406	1.8
89.94035	0.7
90.94832	5.0
91.05483	14.4
93.07056	1.2
95.08611	0.8
97.02900	4.4
99.04405	0.9
101.05365	1.3
101.06018	19.1
103.03277	0.7
103.05418	1.4
105.07033	16.7
108.95822	0.7
111.04446	27.7
111.98455	0.6
112.04793	1.3
113.05982	3.1
113.96416	0.9
114.05533	1.7
115.05472	4.4
116.06255	3.3
117.07023	12.7
118.06561	1.2
119.08582	17.0
120.08951	0.6
124.07486	0.6
125.03145	0.5
127.07559	4.0
128.06204	2.8
128.10774	3.0
128.11922	0.5
129.05507	8.0
129.06999	13.4
129.99464	0.6
130.07800	9.1
131.08569	60.7
131.97421	1.0
132.08032	0.8
132.08882	2.9
132.95822	2.1
133.10118	3.5
141.06996	1.4
142.07793	1.3
143.08560	28.2
144.05698	0.9
144.09363	11.5
145.06461	3.4
145.07593	1.4
145.10124	42.3
146.06012	2.2
146.10469	2.4
149.96117	1.7
149.98463	1.0
150.96881	2.8
155.06093	1.1
155.07066	17.3
155.08522	2.9
155.97380	0.9
156.09297	1.8
157.10168	1.2
158.07285	7.4
158.10922	37.0
159.08092	6.0
159.11258	2.0
167.97154	2.1
171.11694	2.0
173.05888	1.6
173.08119	21.5
173.09637	22.3
173.13261	100.0
173.98424	0.8
174.07590	1.8
174.10385	3.3
174.13649	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03953	1.0
55.05511	16.6
55.05766	1.4
57.07067	0.9
59.05002	2.7
62.95273	0.6
65.03905	0.7
67.05509	3.5
69.06291	5.1
69.06708	1.6
69.07069	0.7
72.93805	3.8
79.05501	3.1
81.07060	5.1
83.04982	15.9
85.06539	1.1
87.04508	1.0
89.02409	0.8
90.94829	3.8
90.95366	0.8
91.05479	15.7
93.07039	2.5
101.06013	12.7
103.05450	1.6
105.07029	21.1
107.15484	0.7
108.95901	1.0
111.04446	20.5
113.05988	2.0
115.05439	5.1
116.06234	3.7
116.37036	0.7
117.07037	12.5
119.08575	15.0
123.41246	0.6
127.07554	2.2
128.06259	1.9
129.05519	4.4
129.06993	13.1
130.07794	7.0
131.08568	100.0
131.97437	1.0
132.08893	3.8
132.95825	1.4
133.10135	2.1
137.06039	0.9
143.04901	0.8
143.08563	24.2
144.09360	9.8
145.06483	3.1
145.10126	38.8
146.10414	1.0
149.96092	0.8
150.96919	1.3
155.07034	11.1
155.08536	2.1
156.09322	1.5
157.10149	1.6
158.07323	4.7
158.10918	33.2
159.11299	1.7
167.97156	1.2
167.99953	0.9
171.11717	2.3
173.05910	1.2
173.08119	15.0
173.09644	14.7
173.13263	99.6
174.13634	4.5
179.44655	0.7
179.65424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75235	3.8
55.05273	6.6
55.05515	87.1
56.05837	3.9
56.89327	3.5
57.03433	3.5
57.07077	7.5
59.05002	17.7
62.06111	4.8
67.05520	5.6
69.07071	11.7
69.11337	27.7
71.08633	100.0
72.93787	20.8
73.02954	4.5
83.04984	71.4
87.04486	7.5
89.02399	8.9
90.94826	13.5
91.05503	9.0
97.02927	5.7
99.08096	45.9
99.49467	4.0
101.06025	50.3
105.07067	9.3
111.04448	86.6
112.04769	4.1
113.05991	7.2
113.96359	3.8
115.05438	4.7
117.07014	9.2
119.08549	7.0
127.07574	14.0
129.05487	24.6
129.06969	8.7
129.12721	6.8
131.08553	43.4
132.95848	5.9
143.08530	19.6
144.09366	5.5
145.06502	5.0
145.10074	20.9
149.96127	8.6
150.96939	5.9
155.07031	61.3
155.08223	6.7
158.10936	13.4
167.97168	6.8
173.05954	5.3
173.08134	74.3
173.09616	10.0
173.13266	50.3
174.18524	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	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12555	0.4
55.05512	1.2
55.33192	0.4
56.05841	0.6
57.07075	5.1
58.45639	0.4
61.02926	3.4
64.24270	0.4
67.05494	0.6
68.80460	0.4
69.07063	1.5
69.92326	1.7
70.06578	1.1
72.93756	0.4
73.02901	0.6
81.07076	0.6
83.04968	0.8
84.04538	0.5
84.05325	0.8
86.09704	100.0
87.10041	3.0
89.06030	2.3
91.05482	3.8
95.08625	0.6
96.37360	0.4
98.23306	0.7
98.98466	5.4
101.05987	0.9
105.07029	2.7
106.03970	0.4
107.08618	0.6
112.04776	1.1
114.05552	0.5
118.07310	0.6
119.04950	1.0
119.08573	6.9
128.07036	0.5
131.08571	1.1
132.08038	0.5
132.08923	0.7
132.95808	0.8
133.10106	4.0
145.10170	0.5
146.10580	0.5
146.11748	0.9
147.11671	1.1
150.96935	1.0
156.07370	1.0
174.05579	0.6
174.08641	0.8
174.12688	1.2
174.13412	0.7
174.14899	12.2
174.16411	0.8
175.07410	0.6
175.11205	1.1
175.14796	5.6
186.88849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07954	0.4
52.16164	0.4
53.35265	0.4
55.05508	0.7
56.96560	0.8
57.03419	0.6
58.99855	1.5
60.00661	0.5
60.05654	15.6
68.04997	0.5
69.30569	0.4
70.06596	50.1
71.04993	0.7
71.06930	0.6
72.08153	1.5
73.06542	1.4
77.00903	0.9
79.51196	0.4
81.63129	0.4
82.99853	1.7
85.01410	7.4
86.01438	0.6
88.51684	1.6
98.97592	4.3
98.98468	8.4
100.02525	0.5
100.99872	0.5
101.00884	17.7
102.00989	2.0
103.00655	2.1
103.02448	29.9
103.81098	0.5
104.02535	1.3
105.07005	0.5
112.08724	1.7
113.00874	1.0
115.02436	8.8
115.04147	1.3
116.01943	0.5
116.07104	12.0
116.97227	1.9
116.98652	3.8
118.03586	0.7
119.01926	66.2
119.08589	0.5
119.48980	0.9
120.02025	7.4
121.01662	7.0
121.02458	0.8
121.03493	13.3
122.03550	0.7
124.02544	0.5
125.99207	0.5
127.02442	1.3
128.49510	4.1
128.99559	1.2
129.49414	1.6
130.09782	5.0
130.99786	1.1
131.01912	3.7
131.99615	1.3
132.05074	0.7
133.03474	69.2
133.05176	6.3
133.10150	0.6
134.02872	1.4
134.03635	3.1
134.04840	1.9
134.99648	1.9
137.02957	22.3
137.49995	4.9
137.50801	0.4
138.00053	1.0
138.03067	1.7
138.04053	0.4
138.49944	1.7
139.02698	1.9
140.00276	3.6
140.50352	1.8
141.00117	0.6
142.03517	1.8
145.03465	18.3
146.03595	1.0
148.03902	1.4
149.00830	4.7
149.02863	0.7
149.50922	1.8
150.00635	2.3
150.06149	0.6
151.04529	30.8
151.06245	2.8
152.04601	1.8
152.05887	1.8
152.96927	0.9
156.05083	1.2
156.96565	0.6
157.03467	4.0
157.05238	2.7
157.06409	0.5
158.04861	0.7
158.09264	3.3
160.04477	0.7
161.04738	0.5
163.04527	7.5
166.05087	0.5
170.03133	0.5
171.01425	1.2
174.97626	2.0
175.04556	100.0
175.06279	17.9
175.11920	7.4
175.14856	0.6
175.98553	0.7
176.02464	0.6
176.04680	6.7
176.05960	5.2
177.01086	0.7
193.03854	1.0
193.05624	4.3
193.07413	4.5
194.06943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05513	0.6
60.05648	11.6
62.29310	0.2
67.05497	0.4
69.07064	0.6
69.65855	1.3
70.06593	31.8
71.04991	0.5
71.06913	0.5
72.08170	1.4
75.94605	0.5
77.03925	0.4
81.07063	1.2
88.07658	0.3
91.05486	3.1
92.90054	0.4
93.07062	0.5
97.07711	0.3
98.06062	0.4
98.22681	0.5
98.97591	1.0
98.98468	11.4
98.99122	0.6
103.05476	0.8
104.06233	1.3
105.03393	1.2
105.07037	3.0
107.08594	0.6
112.08734	1.9
113.07152	0.3
115.05455	48.5
116.05694	1.2
116.06264	2.2
116.07052	8.3
116.97236	2.5
116.98605	1.2
116.99355	0.3
117.07018	10.3
118.06548	0.3
118.07318	0.4
119.04941	0.7
119.08587	7.1
128.06223	2.4
129.07019	4.5
130.06503	0.7
130.09781	4.0
131.04922	2.8
131.08557	0.6
131.99529	0.6
132.05724	8.4
133.06064	0.3
133.10129	2.6
134.99628	0.9
142.04135	0.9
143.03850	0.3
143.04919	8.2
144.05711	13.1
145.06407	1.0
146.07245	0.6
146.10835	0.4
147.08049	4.4
147.11650	0.8
148.03992	0.3
151.93867	0.5
151.97092	0.4
152.96924	1.1
155.06006	1.2
157.07610	0.5
158.09236	1.9
159.04440	0.6
160.05197	81.2
161.05553	4.1
174.06793	0.4
175.07542	100.0
175.14795	5.0
175.98535	0.9
176.07928	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.79507	0.5
57.93587	0.8
60.05651	12.2
68.30658	0.5
70.06596	34.2
70.79760	0.7
70.80094	0.9
71.05022	0.9
71.06937	0.7
72.08191	1.5
76.86369	0.5
81.07082	1.2
83.05008	0.6
91.05488	3.0
92.63242	0.6
92.90083	0.7
95.08607	0.7
98.97585	1.8
98.98470	22.0
100.08099	0.5
101.06022	0.5
103.05473	0.8
104.06281	1.1
105.03436	0.6
105.07056	1.9
112.08762	1.3
115.05463	44.6
116.05706	0.5
116.06254	2.2
116.07052	7.9
116.97249	3.5
116.98655	2.1
117.07018	10.7
119.04970	0.8
119.08593	5.3
128.06227	3.1
129.07024	3.8
130.09789	3.2
131.04907	3.1
131.08588	0.8
132.05725	8.7
133.10114	3.6
133.44092	0.6
134.99655	2.0
143.04942	8.1
144.05708	13.0
145.06500	1.2
147.08047	4.1
151.93854	0.8
152.22025	0.5
152.96886	0.8
155.06068	1.5
157.06439	0.7
158.09290	2.3
159.04320	0.7
160.05206	80.2
161.05566	4.0
168.23427	0.6
175.07545	100.0
175.14752	2.6
175.98460	0.9
176.07959	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03927	0.8
55.01862	0.5
55.05507	3.8
59.04985	0.9
60.05650	0.7
60.13222	0.3
64.09053	0.3
65.03933	0.8
65.65649	0.4
65.69752	0.3
67.05508	1.8
69.03431	3.6
69.06731	0.6
69.07072	7.3
70.06589	2.4
72.08114	0.4
78.99947	0.4
79.05495	3.5
81.03399	0.5
81.07051	4.7
83.04979	2.3
83.08607	1.1
84.63854	0.4
91.05481	17.6
92.05786	0.6
93.07047	3.1
95.04971	0.9
95.08603	2.9
98.97525	0.4
98.98465	9.4
103.05469	1.7
104.06287	0.5
105.03374	1.9
105.07027	28.7
106.07347	0.8
107.04926	0.9
107.08592	4.8
115.05412	2.9
116.06295	0.6
116.07077	0.9
116.98637	0.4
117.07020	4.2
119.04957	3.6
119.08578	42.9
120.04445	0.3
120.08908	1.8
121.06506	2.2
121.10128	0.8
128.06190	1.7
129.07004	6.1
130.06519	1.1
131.04938	0.6
131.08569	6.1
132.05750	2.0
132.09309	0.8
133.02870	2.6
133.06488	8.0
133.10127	32.1
134.06805	0.6
134.10461	1.2
135.08031	1.9
141.06989	2.2
142.07780	15.9
143.08133	0.6
145.06468	6.0
145.10112	4.3
146.07240	2.1
146.10844	1.2
147.02592	0.6
147.04431	1.1
147.08047	3.8
147.11684	14.9
148.12003	0.5
157.10126	13.6
158.10486	0.9
159.08046	1.4
160.05168	1.6
160.08838	16.9
160.12469	1.4
161.09210	0.5
173.13281	1.3
175.07835	2.8
175.11177	100.0
175.14803	28.2
176.07034	2.5
176.11549	4.8
176.15129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
53.48046	0.3
57.10010	0.3
60.05653	35.1
61.34235	0.3
61.36160	0.3
70.06596	100.0
70.23113	0.3
70.51826	0.8
71.04980	1.7
71.06921	1.6
72.08158	4.6
88.07640	0.5
89.34084	0.4
97.07648	0.7
98.06072	0.7
112.08738	3.8
114.10358	0.5
115.08719	1.3
116.07098	27.8
117.07408	0.4
130.08797	0.7
130.09770	12.8
132.02141	0.4
141.06618	0.4
157.10866	0.9
158.09256	6.6
159.09683	0.4
175.11911	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.96557	1.7
57.03435	1.0
60.05649	35.2
67.05499	1.0
69.07069	0.6
70.06593	100.0
71.04983	1.5
71.06918	1.7
72.08154	6.9
74.02425	0.3
79.05495	0.6
81.07067	2.7
84.08142	0.8
85.01411	0.6
85.02921	0.3
86.09711	1.0
88.07619	0.5
91.72909	0.2
95.08054	0.2
95.08607	7.1
96.08150	1.3
97.07642	0.5
97.10165	2.6
98.06050	0.9
98.97585	4.7
99.08057	0.4
101.00881	1.2
103.02455	0.9
104.07121	0.5
110.97570	0.9
112.08729	4.3
112.11300	0.4
113.07159	0.5
113.09653	0.8
114.10279	0.9
115.02393	0.5
115.08703	0.9
116.07090	25.8
116.98634	1.8
117.07442	0.4
119.01931	2.5
121.01661	0.3
123.08086	2.6
128.98602	0.6
130.06561	0.4
130.09766	12.5
131.10121	0.4
132.04469	0.5
133.03453	2.6
134.99689	0.6
137.02936	0.3
140.10716	1.4
141.06520	0.3
141.09077	0.9
145.03442	0.8
151.04553	0.8
157.03502	0.4
157.10867	1.0
158.05960	0.4
158.07957	0.4
158.09253	6.6
158.11736	1.4
158.15396	1.6
174.99168	0.8
175.04552	3.8
175.11913	18.8
176.12633	0.4
176.16460	1.6
193.00148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.9
53.44383	0.6
55.05512	8.9
60.05660	0.8
60.11276	0.5
65.03931	1.6
67.05499	2.6
69.07067	20.9
70.06586	2.6
77.03908	0.6
79.05493	4.3
81.03423	1.2
81.07056	9.6
83.08614	4.2
89.03924	1.4
91.05478	24.6
92.05811	1.0
93.07050	4.4
95.08607	7.1
98.97813	1.0
98.98460	10.3
103.05464	1.5
105.07027	29.5
106.07357	1.7
107.08598	5.9
115.05432	1.8
116.07155	0.7
116.97208	0.9
116.98565	0.7
117.07040	2.9
117.66308	0.7
118.07785	0.7
119.04944	4.1
119.08578	90.7
120.08822	3.2
120.18310	0.6
121.10130	2.4
121.94759	0.6
129.03349	0.6
129.07008	1.8
130.06529	1.2
131.08574	5.8
133.10127	76.9
134.10445	3.5
135.11710	0.9
142.07768	0.8
145.10115	8.5
146.10863	1.7
147.04436	1.7
147.08057	1.8
147.09120	0.8
147.11685	17.5
148.12035	1.4
157.10109	1.6
159.11719	1.0
160.05229	2.1
160.08821	1.7
160.12453	4.4
173.13316	2.6
175.03882	1.2
175.07475	4.9
175.09828	2.1
175.11310	5.4
175.14818	100.0
176.06967	0.6
176.15147	6.6
194.85977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05516	9.0
57.49336	0.6
60.05636	1.5
65.03912	1.0
67.05495	3.3
69.07067	20.5
69.27181	4.5
69.80125	0.7
70.06598	4.4
71.80796	0.9
72.08163	1.2
75.61259	0.7
79.05505	3.7
81.07058	11.1
83.04967	0.7
83.08623	4.2
91.05477	25.3
93.07034	5.9
95.04956	1.1
95.08600	7.8
98.97578	1.4
98.98463	15.5
103.05466	2.2
105.07031	35.8
106.07344	1.7
107.08592	6.8
109.06524	0.8
115.05444	7.6
116.07066	1.9
116.97205	1.8
116.98663	0.8
117.07023	6.6
118.06569	1.0
119.04976	4.5
119.08578	94.7
120.08889	3.9
121.06486	0.9
121.10128	1.9
122.03709	0.7
128.06247	1.1
129.06985	3.8
130.06555	2.6
130.09805	1.0
131.08566	7.3
132.05696	1.1
132.09346	1.1
133.06544	1.6
133.10126	79.7
134.10454	3.3
141.06978	0.7
142.07776	4.5
143.04921	1.0
144.05701	1.0
145.02873	0.8
145.06467	1.8
145.10107	8.4
146.10861	2.6
147.04408	3.2
147.08040	2.2
147.11676	20.3
157.10120	4.7
158.05962	1.3
160.05205	10.7
160.07512	0.7
160.08817	4.3
160.12454	4.3
173.13251	2.9
175.03947	1.5
175.06023	1.2
175.07510	15.0
175.11208	14.7
175.14824	100.0
176.08057	1.0
176.15189	5.8
192.54977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03937	0.7
54.17326	0.6
55.05273	0.7
55.05516	6.8
56.82168	0.6
57.05596	0.6
57.07073	1.0
62.75429	0.6
67.05513	2.0
69.07071	20.0
69.47844	1.0
69.48262	2.8
70.06612	0.9
77.03912	0.7
79.05492	3.0
81.07056	5.7
83.08633	3.6
89.03925	0.7
91.05477	12.2
93.07053	4.3
95.08595	4.6
97.04044	0.8
98.98489	3.6
103.05455	0.9
105.04494	0.6
105.07034	25.4
106.07338	0.7
107.08612	5.9
115.05449	1.0
117.07058	3.1
119.04929	1.9
119.08586	81.2
120.08820	2.8
121.10137	2.4
131.08583	3.8
133.10133	100.0
134.10442	4.4
135.11731	1.0
145.10120	7.8
146.10947	1.4
147.04462	0.7
147.11685	10.7
148.12143	0.8
157.17677	0.6
160.12457	3.7
173.13292	2.3
175.07462	0.9
175.14828	91.6
175.18884	1.9
176.15181	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02113	0.7
69.48885	2.9
71.06918	0.6
72.27338	0.7
93.22227	0.6
131.08830	0.6
132.02119	100.0
133.02464	2.7
144.91850	0.7
150.03151	0.8
163.31570	0.7
168.58508	0.6
176.01099	18.0
194.42711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0708
Annotation	Indole-3-acetate
Peak:m/z	Relative Intensity
52.75137	0.5
53.03921	0.5
56.96560	1.2
57.93563	2.7
60.05643	2.1
61.05955	0.6
70.06606	3.2
71.06919	3.6
71.67657	0.5
73.32411	0.4
75.94620	0.7
89.03912	1.5
91.05466	0.5
93.07062	1.0
98.97580	8.4
98.98466	6.4
103.05464	2.0
104.05019	1.0
105.03418	0.8
106.06561	0.8
116.97240	13.0
116.98610	9.2
116.99461	1.1
117.03369	2.5
117.07462	1.2
118.06533	1.3
119.07307	0.7
120.08110	14.2
121.02858	0.7
130.06531	100.0
131.06866	4.2
131.99486	2.7
132.04460	17.8
133.04750	0.6
134.95921	0.8
134.99654	7.5
135.04433	0.6
141.77539	0.5
145.02846	2.1
146.06020	0.8
148.03957	0.7
148.07573	19.7
148.96208	1.5
149.02324	1.9
149.06029	1.5
149.07942	1.1
151.98573	0.6
152.96924	5.0
153.00723	0.9
158.06018	24.6
159.06396	1.2
170.97990	0.7
175.98518	4.7
176.07013	8.7
176.09334	0.7
176.10646	1.3
176.12138	0.7
177.05354	0.7
177.12617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72987	1.3
53.03956	2.6
55.01870	7.1
55.05514	3.1
56.96568	4.7
57.93570	9.5
57.98792	1.4
58.99589	69.7
60.05650	9.9
61.05344	2.3
61.05979	2.2
64.61741	1.2
68.05004	1.2
69.07082	1.3
69.17318	4.0
69.17737	5.6
70.06592	17.0
71.06313	1.5
71.06931	17.7
72.08158	96.7
73.02908	1.5
73.08490	2.3
74.00669	6.9
75.94602	5.7
76.02233	15.0
79.05499	5.4
81.05781	1.4
84.08153	4.7
85.01130	16.6
86.99058	37.2
87.02696	46.3
88.02200	2.4
88.03995	4.0
89.03922	1.9
91.05483	1.7
93.95671	1.9
96.08149	4.1
98.96209	2.1
98.97594	45.3
98.98473	14.2
99.02702	1.1
103.05492	3.4
105.00092	18.0
111.10335	1.1
113.04234	21.9
113.09090	1.4
116.07074	2.5
116.97246	44.4
116.98601	39.9
116.99446	2.6
117.03365	2.4
117.07448	6.7
118.06599	1.6
120.04480	1.4
120.08113	4.0
121.10099	1.5
130.06526	100.0
131.06871	9.3
131.10129	1.8
131.99551	9.7
132.04485	3.0
133.04810	3.9
133.97473	2.3
134.95906	4.4
134.99664	29.9
139.98837	2.8
144.31721	1.1
145.02864	3.4
148.03917	3.3
148.07596	4.4
148.96210	4.9
149.02354	3.2
151.97397	1.3
151.98517	2.9
152.96931	17.7
153.00763	4.0
157.97488	1.8
158.01289	2.0
158.06071	9.1
158.07962	3.4
159.04767	46.7
159.06329	5.2
159.09598	2.1
160.05156	2.0
170.98047	3.0
175.98515	14.3
176.02258	2.9
176.03546	2.2
176.07158	21.9
176.08789	1.9
176.10544	1.5
176.12169	4.2
177.05380	2.6
177.06714	1.9
177.12732	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03961	1.0
53.50880	0.5
56.96564	4.6
63.02386	1.5
68.39815	0.5
70.60878	1.1
72.50871	0.5
78.04705	3.1
79.05500	1.1
81.07043	0.7
89.03915	51.7
90.04250	1.6
91.05489	3.7
93.07066	1.5
95.04961	0.8
95.08582	0.5
98.97588	5.6
98.98473	9.3
103.05474	2.2
105.03380	0.8
105.07053	1.1
106.04151	3.4
107.04945	0.9
107.08614	1.3
116.97208	0.6
116.98618	6.0
117.03374	77.9
118.03708	1.9
118.96748	3.0
119.05029	0.8
121.06528	1.6
121.10148	0.7
124.05236	0.8
127.38400	0.5
129.04477	0.6
131.04951	0.6
131.06874	1.1
131.08583	1.7
133.04692	0.5
134.03635	11.9
134.05998	0.8
134.99640	4.2
135.04414	9.0
135.11728	0.6
136.93069	1.0
145.02841	100.0
146.03163	2.9
149.02350	3.5
149.05981	26.0
149.09604	0.7
150.95726	0.7
153.00711	0.9
154.94203	1.0
154.96443	1.2
158.06020	0.7
159.08121	1.0
162.03099	2.4
163.03891	6.3
172.94051	1.0
172.95299	1.9
177.05438	31.4
177.08900	1.0
177.12704	1.7
177.98155	0.9
178.05789	1.1
178.08620	0.9
186.05495	1.5
190.95218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.13197	1.1
53.03939	3.3
55.01864	4.9
55.05504	5.4
56.96567	6.7
57.03436	1.3
57.97166	1.2
62.35894	1.1
62.63115	1.0
65.03931	1.4
67.05508	21.9
69.03408	1.2
69.07076	5.6
70.11093	1.9
70.11488	2.1
78.95395	1.2
79.05496	32.2
81.03410	4.3
81.07062	33.8
83.04996	5.3
83.08613	1.7
85.06547	1.3
91.05481	29.4
93.07046	47.0
94.90015	1.1
95.04998	8.7
95.08601	8.9
97.06524	10.4
98.98482	10.3
103.05462	2.1
105.04539	1.1
105.07035	26.5
107.04939	3.0
107.08602	22.3
108.08962	1.2
109.06512	4.8
111.08080	4.5
115.05440	2.1
117.07016	24.8
118.07319	1.5
119.08604	5.1
121.06499	3.3
121.10157	11.1
123.08055	1.5
129.07014	1.8
131.08577	27.9
133.06480	2.8
133.10139	31.3
135.08057	9.8
135.11711	10.4
144.09320	2.6
149.02368	3.8
149.09624	3.5
149.13274	14.1
159.11705	38.3
160.12051	1.3
172.94164	2.3
172.95422	1.5
177.10254	3.3
177.12753	100.0
178.05020	1.8
178.06830	1.1
178.08647	2.5
178.12148	2.2
178.13289	1.2
190.95210	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02368	0.9
53.03952	3.5
55.01883	3.7
55.05509	22.3
56.96542	0.6
57.03423	1.3
57.07082	3.2
57.72790	0.7
65.03924	1.9
66.94809	0.7
67.05505	30.3
68.05841	0.8
69.07067	40.0
70.85655	1.1
71.04995	1.0
71.08612	1.5
77.03902	0.9
78.04713	1.2
79.05490	45.9
80.05814	1.3
81.03416	2.9
81.07056	52.4
81.79942	0.7
82.07378	0.7
83.04978	2.5
83.08619	24.0
83.59998	0.6
85.06494	0.8
89.03918	10.1
91.05479	34.9
92.05795	1.0
93.07042	87.1
94.07367	2.1
95.04963	7.3
95.08604	66.7
97.06522	4.7
97.10151	5.2
98.98467	3.9
103.05486	0.9
105.04510	1.3
105.07031	20.6
106.04163	1.5
107.04958	2.7
107.08591	87.3
108.08915	2.2
109.06531	4.4
109.10152	29.4
110.10458	0.8
111.08057	1.3
116.06187	1.2
117.03382	13.7
117.07006	11.8
117.07833	0.9
119.06070	1.1
119.08559	6.5
121.06550	4.0
121.10138	100.0
122.10473	2.7
123.08103	1.2
123.11687	1.8
129.07007	2.3
130.07800	0.8
131.08562	19.4
133.10124	21.6
134.03612	3.3
135.04466	1.4
135.08069	6.3
135.11690	37.7
136.11992	1.3
144.09393	1.2
145.02843	17.0
146.03180	1.0
147.11685	1.9
149.02344	1.2
149.06003	5.8
149.09619	2.9
149.13249	21.2
150.65126	0.7
159.08043	0.8
159.11700	24.3
160.12059	0.7
168.36156	0.7
172.95454	0.8
177.05449	4.5
177.09314	1.5
177.12764	62.0
177.16371	85.6
178.13120	1.9
178.16771	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	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94132	1.1
53.03940	5.0
55.05511	10.3
57.07064	1.7
67.05508	41.6
68.05846	1.9
69.07070	14.4
70.36940	1.2
70.63718	2.8
79.05495	64.9
81.07058	38.3
83.08636	7.9
88.02209	2.9
91.05477	16.7
93.07047	79.1
94.07347	1.6
94.84357	1.2
95.04971	4.3
95.08608	48.4
96.08897	1.5
97.06527	1.8
97.10150	2.5
98.98466	7.1
105.07023	8.4
107.08594	39.2
109.06491	2.1
109.10159	17.6
117.07013	3.9
118.03578	1.3
119.08543	2.2
121.06516	1.2
121.10146	100.0
122.10468	3.0
131.08565	5.6
133.10123	5.2
135.08023	2.3
135.10661	2.1
135.11697	34.2
136.12050	1.3
149.02338	1.7
149.13232	4.6
157.10194	1.5
159.11723	8.2
177.06650	1.8
177.10327	2.0
177.12772	19.4
177.16383	54.1
178.06810	1.4
178.08615	1.7
178.16779	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	3.5
55.01867	1.5
55.05510	12.2
57.07070	2.2
65.03922	2.0
67.05506	44.9
67.41284	1.1
69.07068	11.2
79.05496	63.1
80.05815	2.7
81.07059	37.7
83.08617	8.4
88.02221	3.1
91.05480	15.8
91.06513	1.0
93.07047	78.6
94.07382	2.0
95.04974	6.2
95.08607	43.3
96.08882	1.4
97.06521	3.6
97.10150	2.3
98.98476	8.2
105.04531	1.3
105.07018	7.5
107.08593	44.5
108.08880	1.9
109.06547	1.4
109.10158	17.0
117.07009	3.9
119.08608	3.0
121.06532	3.3
121.10146	100.0
122.10467	3.9
131.08557	6.3
132.08060	1.7
133.10120	8.3
135.11693	36.2
149.02338	2.8
149.07236	1.4
149.13261	5.2
159.11691	8.7
177.05429	2.2
177.06729	2.3
177.10378	2.2
177.12762	30.0
177.16394	51.7
178.04984	2.1
178.08595	2.0
178.16716	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.28853	1.0
53.03941	4.1
55.01848	1.0
55.05513	12.9
57.07079	2.8
65.03954	1.8
67.05506	44.9
69.07067	10.4
71.30153	1.3
72.84363	0.9
77.03954	1.1
79.05496	68.6
80.05812	1.4
81.07058	41.3
82.07392	1.4
83.08622	8.3
88.02211	1.6
90.74451	1.0
91.04966	1.7
91.05484	19.0
93.07047	81.6
94.07378	1.4
95.04966	3.5
95.08610	49.8
96.08903	1.2
97.06503	2.6
97.10159	3.8
98.98461	4.0
105.04471	1.6
105.07043	7.2
107.04952	1.8
107.08595	43.6
109.06493	2.3
109.10154	20.4
117.07019	4.2
119.08572	3.2
121.06541	1.9
121.10146	100.0
122.10467	3.6
123.11704	2.2
131.08556	5.6
133.10133	5.4
135.08015	1.3
135.11691	38.4
136.11971	1.7
147.11568	1.0
149.13269	5.7
159.11679	9.3
177.12772	22.1
177.16389	57.0
178.13139	1.3
178.16779	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	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.28844	0.8
55.05514	22.5
57.07065	3.3
61.81799	0.9
67.05184	1.3
67.05509	16.2
69.07069	39.0
69.19501	6.0
69.19905	1.5
70.07405	1.0
71.08633	2.0
79.05494	28.4
81.06583	1.7
81.07060	34.1
82.07392	1.4
83.08618	22.9
87.58572	1.0
89.03922	9.9
91.04964	1.2
91.05482	13.4
92.05779	1.0
93.07047	64.3
94.07374	2.4
95.05021	1.0
95.08608	74.8
96.08925	2.5
97.10162	5.2
98.98449	3.8
105.07037	8.0
106.04170	1.8
107.08595	90.2
108.08917	3.4
109.06531	2.2
109.10155	29.4
110.10494	1.7
117.03382	19.5
119.08578	4.1
121.06528	2.1
121.10146	100.0
122.10469	3.7
123.11668	0.9
126.19063	1.0
131.08549	2.2
133.10107	3.5
134.03638	1.9
135.04413	1.8
135.11696	38.9
136.12024	1.2
145.02838	26.1
145.03975	1.9
146.03209	1.6
147.11703	1.1
149.05956	6.2
149.13286	12.1
159.11765	1.7
175.36909	0.9
177.05455	7.2
177.09109	2.6
177.12785	3.5
177.16386	99.7
178.16739	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.46624	0.8
53.03934	3.0
55.01877	3.3
55.05511	25.0
56.05795	0.9
57.03436	1.4
57.07077	3.8
63.02407	0.7
65.03932	2.2
67.05505	24.5
68.05834	0.8
69.07068	38.2
69.36877	4.4
71.08607	1.1
77.03887	1.0
79.05493	48.0
80.05014	0.7
80.05824	1.9
81.03403	2.3
81.07056	49.3
82.07394	1.3
83.04992	2.2
83.08141	1.4
83.08619	24.0
88.02209	0.9
89.03917	9.2
91.04900	0.9
91.05478	26.5
93.07042	89.8
94.07368	2.7
95.04972	7.3
95.08607	72.8
96.08942	2.1
97.06535	4.0
97.10159	5.9
98.98477	4.5
103.05480	1.6
105.04483	0.8
105.07029	21.2
106.04170	1.0
107.04939	2.6
107.08592	92.7
108.08913	2.6
109.06535	4.4
109.10155	33.1
110.10481	0.8
111.08081	1.9
115.05499	0.9
117.03384	13.0
117.07029	11.8
118.03721	1.5
119.06094	1.5
119.08548	5.9
121.06525	2.6
121.10141	100.0
122.10452	4.2
123.08035	1.7
123.11740	1.4
129.06987	0.8
131.08568	17.4
132.08978	0.8
133.10135	18.3
134.03647	0.9
135.04399	1.1
135.08105	4.1
135.11694	40.0
136.12025	1.6
144.09357	0.7
145.02834	15.6
146.03166	1.6
147.08052	0.6
147.11710	1.9
149.05995	4.6
149.09637	2.0
149.13252	21.5
150.13522	1.0
157.10150	0.9
159.08072	0.8
159.11685	21.3
160.12001	0.9
163.03970	0.8
177.05426	4.3
177.09120	1.1
177.12759	51.0
177.16374	96.3
178.04935	0.8
178.08572	0.8
178.13040	2.3
178.16795	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	179.034
Annotation	NINHYDRIN
Peak:m/z	Relative Intensity
51.02372	1.5
53.03948	1.6
55.01881	0.7
65.03947	0.5
67.05518	1.8
70.06588	0.3
70.55206	0.4
70.55522	0.3
77.03932	8.3
78.04256	0.3
79.05498	0.5
81.03402	0.2
84.08173	0.3
95.04973	5.2
105.03396	27.5
105.04545	1.0
105.41901	0.2
106.03735	0.6
123.04438	6.4
124.04810	0.3
133.02855	100.0
134.03174	3.0
135.04355	0.3
151.03911	17.7
152.04240	0.3
161.02348	14.8
162.02722	0.4
179.03398	23.2
180.03769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	0.6
58.99863	0.6
60.50185	0.6
62.76563	0.7
69.67944	2.4
69.68353	1.1
81.77579	0.6
82.01432	1.5
82.99857	1.2
83.05027	0.6
98.23322	1.0
98.97549	0.6
100.02466	4.2
101.00882	24.6
102.00982	1.8
105.07021	0.7
112.30797	0.5
115.02431	1.2
116.98656	0.6
118.03514	2.2
119.01925	100.0
119.08538	0.7
120.02017	6.0
122.46658	0.5
133.03493	8.1
133.10144	1.0
137.02957	29.3
138.03058	2.5
142.03464	1.6
151.04584	3.3
156.05049	3.8
156.97452	1.4
161.02953	18.7
161.04556	1.3
162.03059	1.3
162.04337	1.2
174.06110	2.1
179.00694	2.0
179.04019	28.1
179.10635	1.1
180.04211	1.8
182.62517	0.6
197.99188	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	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99852	1.6
61.85430	0.6
69.68082	2.5
72.89874	0.6
79.05509	0.6
82.01445	20.8
82.99852	2.0
100.02484	55.7
101.00879	25.0
102.00933	1.3
105.06995	0.7
115.02417	1.4
118.03526	24.2
119.01922	100.0
120.01991	5.6
123.04047	0.8
129.04013	0.6
132.32207	0.7
133.01694	0.8
133.03476	7.8
136.04494	1.1
137.02956	29.8
138.03069	1.6
138.04039	0.8
142.03468	1.6
143.03638	0.9
151.04524	3.0
156.05020	4.3
156.96469	1.6
157.03511	1.1
161.02974	20.0
161.04622	2.4
161.05872	0.7
162.03136	0.9
174.03172	1.5
174.06165	2.2
174.97601	2.3
179.00783	1.6
179.04016	27.3
179.98100	8.9
180.04166	2.1
181.53529	0.7
197.97456	1.4
197.99179	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01867	3.0
55.04907	1.0
56.96564	2.1
57.03423	2.0
60.04527	1.8
61.02925	6.2
65.03944	1.4
67.05518	1.6
69.03429	7.9
70.06596	1.1
71.04987	1.1
71.30132	1.4
73.02913	2.4
79.05488	6.2
80.75552	0.9
80.96819	0.8
81.03421	3.6
84.04496	1.4
84.08157	1.4
85.02903	30.4
85.03424	1.5
87.04469	1.1
89.03912	22.3
91.03970	1.8
91.05488	4.6
93.03413	1.8
93.07034	2.7
95.04971	2.2
97.02898	9.0
98.97582	18.5
99.04485	1.6
103.05476	4.2
107.04962	6.7
107.08618	2.2
109.02914	1.8
111.04433	2.6
112.69174	0.9
116.98610	17.3
117.03369	22.1
117.34181	0.9
118.03748	1.0
119.04892	1.1
120.08106	41.7
121.06504	3.4
121.10121	1.6
123.04447	1.5
124.04781	1.6
127.03915	5.2
134.03194	2.9
134.06039	1.4
134.10503	1.3
134.99666	6.7
135.04411	40.8
135.07985	1.0
135.11647	1.1
137.09550	1.0
138.09138	0.9
138.89401	0.9
139.03889	3.3
145.02840	24.8
145.04947	4.0
152.07066	2.1
162.05524	1.9
163.03899	100.0
174.51317	0.9
180.03748	13.9
180.06453	5.7
180.10069	1.0
181.08565	1.2
190.75807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.8
55.05514	3.6
56.96574	7.5
57.03433	10.9
59.33072	3.2
60.04532	8.5
61.02937	16.4
65.03930	4.5
67.05505	6.3
69.03432	37.9
69.07076	4.8
69.24291	24.4
71.04980	4.5
71.95264	4.2
73.02923	8.6
79.05489	8.7
81.03411	12.3
81.07039	6.8
84.08148	4.3
85.02903	100.0
87.04487	5.5
89.03920	10.5
90.04275	3.9
91.03957	7.7
91.05491	13.9
92.56322	3.3
93.07042	12.1
95.04963	7.4
95.08577	5.5
97.02907	32.4
97.06535	3.6
98.97582	91.9
99.04467	3.5
103.05493	4.7
105.07029	9.6
106.07389	6.3
107.04967	10.0
107.08593	14.8
108.08899	5.3
109.02884	6.4
109.06557	5.6
109.10130	5.8
116.98624	81.9
117.03403	14.4
118.03729	6.9
120.08107	32.8
121.06514	6.9
121.10168	13.6
123.08100	5.5
124.04848	4.4
125.08350	3.5
127.03902	20.4
134.10497	6.6
134.99677	38.3
135.04427	29.0
135.08055	8.0
135.11681	5.3
137.05991	5.8
137.09630	10.0
138.06381	8.0
139.03915	7.6
145.02835	13.5
145.04973	9.4
145.10126	8.0
146.03146	6.6
148.03711	7.6
152.06995	4.2
153.00720	6.5
162.10085	5.2
163.03891	50.5
163.11201	13.5
180.03786	8.4
180.06529	12.9
181.08551	5.8
181.12221	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	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52037	0.2
53.03934	0.3
56.96563	1.9
66.01785	0.2
69.90655	0.4
69.91068	0.6
71.95253	0.7
79.05495	0.5
91.05477	1.0
93.07036	2.6
95.04958	0.4
98.22722	0.3
98.97578	16.5
99.51972	0.2
103.05462	9.6
115.60322	0.2
116.98618	10.7
120.08098	100.0
121.06503	5.0
121.08418	3.3
131.04909	1.1
134.05962	0.2
134.99649	4.2
135.08087	0.3
140.00192	0.5
153.00703	0.6
158.01277	0.7
162.05507	0.2
163.07518	0.5
163.11273	0.3
180.06548	0.3
180.08052	0.4
180.10155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
53.98577	0.1
66.44605	0.1
69.05900	0.2
69.06226	1.5
70.72958	0.1
77.03943	0.2
79.05512	0.7
85.02904	0.3
88.03935	0.2
89.03912	2.7
89.04420	0.3
91.05473	1.3
93.07048	2.3
95.04972	0.3
98.97578	0.5
103.05467	8.3
104.05817	0.3
107.04953	0.8
107.08585	0.2
109.86871	0.2
111.04451	0.3
111.59097	0.1
116.98611	0.2
117.03396	2.3
119.07307	0.2
120.08105	100.0
121.06509	5.5
121.08433	3.0
124.04811	0.1
131.04893	1.1
134.03198	0.2
135.04417	4.4
135.08020	0.3
137.58394	0.2
139.03922	0.3
145.02843	2.8
162.05521	0.2
163.03908	9.6
163.07552	0.4
180.03738	0.5
180.10159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03944	0.6
63.02366	0.6
69.88888	1.4
73.34798	0.3
79.05491	3.0
89.03919	20.6
90.04230	0.7
91.05499	0.9
93.03400	0.5
95.04964	0.7
107.04961	6.4
111.04459	1.0
117.03381	23.8
118.03742	0.7
118.51331	0.4
129.75433	0.3
134.81502	0.3
135.04416	40.9
136.04779	1.1
139.03906	1.0
145.02853	26.2
146.03198	0.9
163.03902	100.0
164.04245	4.6
165.21205	0.3
181.05016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
63.02392	0.8
65.03959	0.6
66.21314	0.2
66.64647	0.3
69.75632	0.9
74.26255	0.2
74.36067	0.2
77.03944	0.3
79.05487	4.0
82.06238	0.2
89.03919	19.5
90.04245	0.7
91.05470	1.5
93.03417	1.3
95.04968	0.7
98.97611	0.4
107.04958	6.7
111.04447	1.8
117.03381	25.6
118.03728	0.8
135.04419	42.2
136.04723	1.1
139.03880	2.2
145.02850	27.2
146.03139	1.3
148.37105	0.2
150.98076	0.2
163.03905	100.0
164.04243	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	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03932	1.4
55.01873	1.0
55.05500	2.0
56.96562	5.3
61.34680	0.4
63.02376	1.1
65.03936	0.8
66.25755	0.4
67.05494	1.8
69.01778	0.4
69.07050	1.4
69.10107	4.1
71.05002	0.7
71.95253	1.9
75.04478	0.5
79.05489	7.5
80.94328	0.4
81.07054	3.4
83.04958	1.5
85.02886	0.6
89.03914	22.1
91.05476	3.8
93.03403	0.9
93.07049	4.5
95.04968	2.7
95.08596	3.6
97.06536	1.4
98.97580	47.8
99.97895	0.7
103.05449	0.8
105.04514	0.9
105.07014	1.0
106.04147	0.6
107.04948	8.0
107.08583	3.4
111.04411	1.3
111.08080	0.5
116.98617	37.3
117.03374	24.6
117.04227	0.8
117.07028	0.8
118.03735	0.8
119.04910	0.5
119.08609	1.1
121.06496	2.9
121.10135	4.2
123.08049	0.9
125.05968	2.1
134.98608	1.1
134.99652	20.9
135.04408	46.3
135.08035	1.6
135.11690	3.0
136.04752	1.8
136.07574	0.6
137.13261	0.5
139.03851	0.7
139.07468	0.6
140.00182	1.5
145.02843	26.1
145.10065	1.3
146.03172	1.0
149.05977	0.9
151.03693	0.4
153.00665	2.9
158.01289	1.8
163.03894	100.0
163.11131	3.0
164.04231	5.7
165.06970	0.6
166.07730	0.9
176.02455	0.5
181.04926	1.2
181.06474	1.2
181.08588	1.4
181.10036	0.8
181.12202	2.0
182.00952	0.8
182.19064	0.5
186.05521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01854	1.3
55.05510	2.6
56.96560	1.9
57.07076	20.4
59.05005	2.6
61.96414	1.1
66.97013	1.3
67.05493	2.9
69.07062	2.0
69.46292	4.4
69.46703	1.6
79.05500	8.9
81.03416	5.0
81.07045	4.2
83.04980	42.9
84.05302	1.3
86.57513	1.0
91.05470	3.5
93.07041	7.5
95.04969	15.3
97.06530	22.3
98.97581	16.1
105.07035	6.2
107.04964	2.8
107.08569	10.0
112.51241	1.0
116.98607	12.0
117.07016	2.5
119.08573	3.5
121.06515	2.3
121.10149	11.9
125.05992	57.1
126.06306	2.1
130.07774	2.0
134.99657	9.6
135.08051	1.1
135.11691	7.0
139.11563	1.1
145.10124	10.6
153.00665	1.2
158.01234	2.3
163.05061	1.6
163.11185	100.0
164.11542	4.9
166.07700	1.1
181.06120	9.9
181.09909	1.9
181.10339	1.7
181.12201	28.0
182.06303	1.1
194.91214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.09525	0.7
54.09795	0.8
55.05507	2.4
56.96568	3.4
57.07077	18.9
59.04998	2.7
65.41261	0.7
67.05498	1.0
69.07062	2.7
69.16272	5.5
69.16682	1.5
74.10672	0.8
79.05501	6.0
79.27533	1.0
81.03409	6.0
81.07069	4.8
83.04983	41.6
84.05303	1.3
89.48827	0.9
91.05490	3.3
93.07043	6.5
95.04970	14.7
95.08583	1.7
97.06528	21.2
98.97583	16.2
105.07035	5.1
107.04978	2.0
107.08582	9.3
109.06571	0.9
114.48927	0.7
116.98627	18.0
117.07003	1.4
119.08585	4.6
121.06531	3.7
121.10149	12.1
125.05992	56.6
126.06367	1.1
130.07808	2.5
134.99670	13.3
135.11700	5.4
136.07520	1.1
140.00266	1.3
145.10117	9.0
149.36169	0.8
158.01277	1.7
163.11182	100.0
164.11552	4.1
165.07031	1.4
166.07773	2.4
181.06100	7.6
181.09972	5.5
181.12218	24.5
182.12643	1.1
182.19043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03946	1.3
53.36381	0.3
55.01876	1.2
56.96572	1.3
57.03440	1.9
61.02936	1.5
65.03958	0.6
69.03442	2.4
70.63065	0.5
70.66116	0.9
70.99876	0.5
73.02917	5.2
81.03422	1.0
82.01460	0.4
84.04504	0.5
85.02911	3.8
91.05483	42.6
92.05820	1.1
93.07060	0.9
95.04359	1.0
95.04973	18.1
97.01370	0.5
97.02902	2.1
98.97594	0.9
99.04428	0.5
100.02501	2.8
101.00885	5.1
102.02410	1.1
103.05453	2.2
107.04969	1.7
109.06531	1.9
111.02917	0.5
113.00862	2.7
114.02377	0.6
117.03014	0.6
118.03574	1.2
118.06543	1.4
119.01934	7.1
119.04949	46.9
120.05305	1.6
121.06525	1.2
123.02956	1.5
123.04434	61.1
124.04768	1.4
127.02450	0.6
127.03951	1.0
129.02948	0.4
131.01923	9.5
132.03476	0.7
133.03455	0.6
136.07582	100.0
137.02919	1.0
137.05972	0.9
137.07918	3.5
138.03453	1.0
138.05504	3.3
142.03500	2.6
143.01913	3.8
144.03461	1.0
145.03464	2.2
147.04410	19.4
148.04723	0.6
149.02972	2.6
154.03485	4.5
155.01889	3.1
157.03481	1.5
159.05083	1.3
160.04561	5.7
161.02966	3.9
165.05482	25.9
166.05818	1.2
167.01868	1.0
172.04549	1.6
173.02960	4.7
177.02489	1.3
177.06071	0.9
178.05569	1.1
182.02945	0.7
182.05638	0.9
182.06725	0.5
182.08092	2.9
185.01578	0.6
185.02963	3.2
200.04103	1.1
203.03996	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	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.25865	0.9
51.71943	0.8
55.05516	7.7
56.61915	0.8
57.03419	1.6
57.07066	2.7
58.02962	36.0
59.43351	0.8
67.05507	24.6
67.88732	0.8
69.03407	1.3
69.07069	63.2
69.57960	3.6
70.06592	2.6
70.07391	1.1
79.05485	6.7
81.07057	22.9
82.06586	0.8
83.04987	1.5
83.08614	7.2
84.08150	8.7
86.06064	1.6
91.05478	4.8
93.07034	11.0
95.04975	1.7
95.08585	5.1
97.06523	3.2
98.06045	2.9
98.09706	2.2
98.97596	2.3
99.97926	1.8
100.07611	6.9
105.07032	13.4
107.08600	18.5
108.08893	0.9
109.06470	2.2
109.10157	51.4
110.10476	1.4
112.07599	3.1
114.09174	13.3
116.98649	1.6
119.08598	2.1
121.10152	1.8
123.11716	8.9
124.11210	1.3
126.09158	12.9
126.12799	2.0
133.10127	28.4
133.37506	0.8
135.11691	19.1
136.12064	1.0
138.12779	24.3
139.13145	1.1
140.10762	1.3
147.11671	4.7
151.11194	10.1
153.12744	15.0
154.15965	2.0
160.04628	1.1
164.07132	0.9
164.14352	3.5
165.12772	3.2
182.00928	1.1
182.15410	100.0
183.15717	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	183.138
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03952	1.8
55.01871	2.6
55.05511	9.7
57.03439	1.5
57.07077	9.9
57.89256	0.7
59.05005	1.9
63.22660	0.7
65.03930	1.0
67.05503	13.5
67.05843	1.2
69.03430	36.8
69.07069	53.6
70.06595	2.1
70.07397	0.7
71.04993	3.5
71.08649	3.3
79.05493	16.5
81.03404	5.0
81.07057	100.0
82.07386	3.0
82.84256	0.7
83.04984	17.7
83.08621	2.5
85.06548	12.0
91.05470	3.4
93.07050	7.4
95.04971	5.4
95.08609	25.1
97.06532	7.8
98.98463	3.6
99.04456	16.1
99.08093	44.8
100.08448	0.8
105.07030	7.1
107.08593	12.7
109.06519	23.2
109.10157	13.0
111.08087	5.8
113.06020	5.7
113.09689	1.1
115.07608	0.7
119.08588	4.9
121.10143	31.9
122.07281	0.9
122.10471	1.1
123.04472	0.8
123.08079	12.0
123.11702	18.3
124.07535	1.0
125.09626	20.9
127.01619	1.3
127.07560	8.0
135.11696	1.5
137.09615	7.8
137.13243	6.3
139.11177	23.6
140.11531	1.0
141.09088	1.3
147.11708	7.0
153.12714	0.8
155.08473	0.8
160.04547	0.9
165.07109	0.7
165.12749	14.7
183.09206	2.8
183.13799	34.2
184.14145	1.2
194.41399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03954	2.3
53.43313	1.3
55.01868	5.9
55.05514	20.4
57.03436	10.7
57.07083	9.9
59.04996	3.9
61.73882	1.1
65.03946	1.8
66.08921	1.4
67.05509	34.4
69.03431	10.1
69.07071	43.8
69.30184	7.4
70.06591	4.5
71.04990	6.5
79.05494	20.1
81.07058	92.3
82.07394	1.6
83.04986	12.6
83.08616	4.5
85.06542	26.9
87.04438	1.3
91.05477	12.9
93.07046	34.6
93.55611	1.2
95.04969	10.0
95.08610	75.5
96.08998	2.0
97.06537	32.6
97.10183	2.7
98.98470	9.6
99.04459	4.5
99.08090	19.2
105.07040	21.7
107.04977	1.2
107.08598	41.8
108.08892	1.8
109.06527	35.8
109.10156	73.4
110.10499	1.6
111.08086	40.4
111.11700	3.3
113.06017	4.7
117.06982	1.5
119.01929	2.3
119.08572	18.4
121.10148	100.0
122.07281	3.5
122.10436	2.3
123.07169	2.5
123.08078	47.5
123.11706	48.9
124.12014	1.6
125.09676	1.9
127.01471	1.7
127.07558	1.4
133.07585	1.2
135.11708	6.8
137.07893	3.4
137.09619	71.3
137.13252	25.7
138.09244	1.7
138.10393	14.0
139.11185	72.0
140.11519	2.5
141.09109	7.8
142.03496	2.3
145.10075	1.4
147.11694	26.2
153.12732	4.2
160.04549	2.6
165.09076	2.2
165.12744	34.1
166.13225	1.6
183.07919	2.8
183.13811	96.5
184.14212	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	183.1381
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
52.74426	1.3
53.03937	2.8
55.01862	4.3
55.05515	18.3
57.03444	9.2
57.07074	7.3
59.04985	2.4
67.05505	30.7
69.03415	6.0
69.07071	42.5
69.11443	1.6
69.23898	2.6
69.24299	7.9
71.05000	4.2
71.08626	1.9
79.05498	17.1
81.07060	83.7
82.07420	1.6
83.04977	11.5
83.08604	5.2
85.06545	26.3
91.05477	10.5
93.07048	31.6
95.04970	7.3
95.08610	74.9
97.06538	38.8
97.10164	5.1
98.22629	2.7
98.98470	11.3
99.08095	18.1
100.97150	1.7
101.00903	2.8
101.95037	4.0
105.07043	18.9
107.08601	40.7
109.06531	28.4
109.10159	65.4
110.07340	1.8
110.10490	1.6
111.08081	43.8
111.11708	2.4
113.05975	2.0
118.03442	1.7
119.01905	9.2
119.08580	19.1
119.96066	2.3
121.10148	100.0
122.07260	3.1
122.10443	2.0
123.08073	42.0
123.11716	49.0
124.08853	2.3
124.12049	2.9
125.09629	2.1
127.01559	1.9
135.11703	8.0
137.02971	2.3
137.09618	66.4
137.13246	24.5
138.10443	16.0
139.11183	71.1
141.09056	1.8
142.03514	3.5
145.10088	1.7
147.11713	25.7
153.12753	4.0
160.04526	7.0
165.12766	31.1
178.05626	2.5
183.13806	99.4
184.14128	3.7
190.22919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.2
53.08285	1.3
55.01867	2.5
55.05516	16.3
57.03442	7.8
57.07083	11.2
59.04997	1.9
67.05503	35.1
67.74879	1.8
69.03439	6.9
69.07072	41.8
71.04998	3.5
71.08615	1.6
79.05492	14.6
81.07058	85.0
82.07382	2.6
83.04977	12.3
83.08615	4.9
85.06548	25.9
85.07030	3.0
86.09705	2.8
91.05476	8.2
93.07049	32.2
94.85058	1.6
95.04973	8.6
95.08607	82.0
97.06525	37.0
97.10167	2.9
98.98473	12.2
99.04491	1.6
99.08099	15.7
101.00888	3.9
101.95026	3.4
105.03382	1.7
105.07027	22.1
107.08595	43.0
108.08916	1.8
109.06528	31.0
109.10156	74.3
110.07321	1.4
110.10517	2.4
111.08081	43.7
111.11726	3.1
112.08431	1.8
113.06020	3.1
115.05467	2.2
117.83888	1.5
119.01897	9.2
119.08582	16.7
121.10143	100.0
122.07288	4.1
122.10464	3.4
123.08071	37.9
123.11710	48.9
134.99725	1.6
135.11710	5.4
137.03036	1.8
137.04208	1.5
137.09616	66.7
137.13249	25.8
138.10435	17.2
139.11180	71.0
140.11514	1.9
141.09183	1.9
142.03500	5.8
147.11696	27.7
148.12065	1.8
153.12767	4.6
160.04547	5.9
165.12761	31.4
178.05623	2.6
183.13806	91.5
184.07484	1.7
184.14163	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	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87940	0.4
56.96571	2.4
65.92596	0.4
66.98907	0.5
69.47478	3.0
70.06569	0.5
80.94928	0.5
82.99844	3.6
84.08153	0.9
85.01515	0.4
86.09700	2.8
90.48543	0.4
98.22675	0.7
98.97581	3.1
101.00884	37.1
102.00943	2.4
116.98623	2.2
119.01925	100.0
120.02009	6.7
120.03245	0.4
121.01638	0.7
124.02454	1.9
125.00031	0.7
125.02501	0.6
131.01892	0.6
133.01643	1.2
137.02962	22.6
138.03049	1.4
142.01814	0.9
142.03508	19.7
143.01898	1.5
143.03639	3.3
144.03242	0.7
144.05043	0.7
148.03989	2.2
156.03241	0.6
157.03523	0.5
160.04587	5.2
161.02974	9.2
161.04649	3.3
162.04317	1.1
166.05040	1.9
179.02440	0.9
179.04024	9.2
179.05690	1.3
180.04137	0.8
184.04570	0.7
184.07349	0.9
184.13322	0.6
193.33115	0.5
202.03957	0.8
202.05682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90747	0.4
63.04166	0.4
69.30972	2.9
74.79758	0.4
82.99849	4.1
98.23394	0.8
101.00882	39.6
102.00964	2.3
102.30206	0.4
103.00664	0.5
119.01924	100.0
120.02003	6.6
121.01611	0.7
124.02460	1.9
137.02960	20.4
138.03040	2.0
142.03500	19.0
143.03578	2.5
144.03224	0.5
160.04555	4.1
161.02972	7.0
161.04678	3.4
162.04337	1.1
175.06100	0.5
178.67955	0.4
179.04041	10.1
179.05725	1.2
190.46349	0.4
200.58546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98848	0.4
55.01877	0.7
56.05037	0.8
57.03429	1.2
58.06590	0.4
60.08166	5.8
61.02928	0.7
69.03430	1.7
69.27296	2.2
71.07376	3.1
73.02923	3.6
81.03443	0.5
82.99834	3.4
85.02908	2.3
86.09704	25.0
87.10084	0.5
97.02915	1.3
98.23462	0.6
98.98465	4.9
99.66267	0.4
100.02494	0.7
100.13970	0.5
101.00881	38.4
102.00943	3.8
102.02232	0.8
103.00642	1.6
104.10749	1.7
109.82394	0.4
113.00855	0.7
114.00991	0.8
115.00616	0.8
115.02423	0.6
115.03945	0.4
116.50348	0.5
117.04002	0.7
119.01919	100.0
120.02007	8.7
120.03194	0.5
121.01653	1.9
124.02486	1.7
125.00000	20.6
127.03893	0.7
131.01900	3.0
132.01997	0.6
133.01630	2.3
135.05023	0.7
137.02950	22.9
138.03053	2.1
138.96661	0.4
139.03387	0.6
142.03503	16.9
143.01929	4.3
143.03639	3.8
144.02045	1.5
145.01683	1.1
145.03415	1.7
147.01375	0.8
151.02716	0.9
156.02094	1.0
156.03288	1.7
157.01753	0.6
157.03430	0.8
160.04556	5.0
161.02960	13.5
161.04694	4.0
162.03098	1.7
162.04326	1.0
168.02122	0.5
173.03027	1.9
174.03094	0.9
175.02759	1.0
179.02406	0.9
179.04015	9.4
179.05724	1.4
180.04269	0.6
184.04596	2.2
184.07350	24.6
185.02979	1.1
185.07669	0.7
186.03084	0.9
187.02762	0.8
202.03822	1.0
202.05591	0.8
204.04193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.3
58.99860	0.4
62.09035	0.3
69.08950	0.3
69.62421	2.0
70.06596	0.5
71.95256	0.5
72.14134	0.3
72.24619	0.4
80.82204	0.3
80.94956	1.4
82.99841	3.9
83.93707	0.5
84.08131	1.2
85.02915	0.5
86.09715	2.6
98.22600	0.4
98.97591	4.4
100.02482	0.6
101.00883	34.5
102.00943	3.0
102.02277	0.5
103.00623	0.4
115.02464	0.5
116.98617	2.4
118.03539	0.6
119.01921	100.0
120.01990	6.6
121.01656	0.6
121.97586	1.3
124.02452	1.6
124.93942	0.6
125.00018	0.6
131.01895	1.0
133.01678	1.1
133.03444	0.5
134.99654	0.6
136.07623	0.5
137.02954	23.1
138.03056	1.5
141.96536	1.1
142.03503	17.7
142.94951	0.6
143.01920	1.2
143.03600	3.0
144.03244	0.7
144.05025	0.5
156.03282	0.8
157.03476	0.5
159.97629	0.5
160.04552	4.5
160.95979	1.0
161.01373	0.5
161.02959	10.4
161.04678	3.1
162.04291	0.9
165.05043	0.4
165.96539	1.3
166.12427	0.4
179.04045	8.4
179.05713	1.1
182.02299	0.4
183.97568	1.1
184.04581	1.1
184.13290	0.6
196.99130	0.4
202.05695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05040	2.0
58.06602	0.8
60.08168	18.6
60.60479	0.4
71.06986	0.6
71.07380	11.4
74.67367	0.3
75.81251	0.3
79.64779	0.4
86.09710	100.0
87.10047	1.8
98.98471	19.0
101.95019	2.1
104.10756	4.4
119.96051	0.6
121.07613	0.4
125.00009	82.2
126.00316	0.7
137.97070	0.5
143.01025	0.9
143.75795	0.4
149.07127	0.9
167.08167	0.4
176.31479	0.4
184.07352	90.4
185.07622	1.6
185.09137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05029	1.4
60.08165	18.5
70.06577	0.5
71.07375	12.2
71.95252	1.0
72.96273	0.3
86.09706	100.0
87.10034	2.1
92.77901	0.4
95.06087	0.6
98.98469	17.8
98.99118	0.9
101.95033	12.6
102.96872	1.1
103.97360	0.4
104.10741	4.0
105.18325	0.4
107.06091	1.5
109.07600	0.5
114.15554	0.5
119.06091	0.5
119.96069	6.1
120.02031	0.5
120.97913	0.9
121.07637	1.7
123.05577	0.5
125.00005	78.7
126.00330	0.5
130.62135	0.4
137.97110	4.8
138.98882	1.1
143.01027	0.8
143.03827	0.4
149.07062	2.2
155.98177	1.7
160.98639	1.2
161.04771	0.6
166.08719	0.5
167.08167	1.4
178.99713	0.7
184.07346	88.8
185.07637	1.8
185.09187	0.8
195.90411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	2.0
57.03457	0.5
58.06614	1.3
60.08165	21.4
61.02913	0.5
64.63499	0.4
65.64323	0.5
69.03438	0.5
70.06609	0.6
70.10505	0.8
70.10870	1.5
71.07374	11.3
73.02921	0.6
82.99828	0.7
85.02913	0.5
86.09709	100.0
86.21274	0.5
87.10053	2.4
90.37771	0.5
98.98468	16.7
101.00879	8.7
101.01492	0.8
104.10743	5.0
107.06104	0.9
117.04018	0.9
119.01926	38.5
119.06060	0.5
120.01988	2.9
121.01722	0.8
121.07646	1.0
124.02412	0.7
124.07593	1.3
125.00007	84.0
133.01649	0.8
134.00060	0.4
135.04932	0.6
137.02966	13.9
138.03088	1.1
142.03525	6.4
143.00966	0.6
143.01942	0.9
143.03662	1.3
149.07112	1.3
158.64836	0.5
160.04503	2.3
161.02975	4.8
161.04675	1.6
162.03069	0.5
166.08577	0.6
167.08183	0.5
170.78732	0.6
179.04016	2.5
179.05606	0.8
181.98750	0.5
184.07352	97.9
185.07735	1.6
185.09267	1.1
185.12775	0.8
191.00020	0.5
202.05586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	(+)-Epilupinine-N-oxide
Peak:m/z	Relative Intensity
55.04493	1.1
55.05510	14.9
56.05033	1.4
57.07065	4.3
57.21036	1.2
58.06601	5.7
64.97295	1.1
67.05506	17.9
69.03420	1.8
69.07070	26.9
69.44434	1.1
70.06596	50.0
71.05003	5.4
72.04520	2.7
72.08128	1.9
76.57858	1.0
79.05492	5.1
81.07062	29.2
82.06558	3.4
83.04976	2.2
83.08619	13.0
84.04498	3.0
84.08154	5.0
85.02882	1.5
85.06537	3.1
86.06076	1.8
89.03896	2.6
91.05499	6.7
93.07056	6.1
94.06582	1.9
94.14229	1.3
95.04994	1.8
95.08592	3.7
96.08124	1.3
98.06035	1.2
98.09683	1.3
101.07123	1.3
105.07039	10.7
107.08606	9.1
109.06510	3.6
109.10153	26.7
112.07615	2.0
117.03381	3.9
121.00774	1.4
122.06026	1.4
122.09655	1.6
123.11719	24.8
126.09167	2.3
133.10133	17.9
140.01460	1.1
140.14262	1.8
142.12299	1.4
145.02814	3.1
150.12766	6.1
151.11195	7.9
152.96866	1.0
154.78424	1.1
158.06044	1.1
163.01823	2.5
168.13846	100.0
169.14153	3.8
177.20441	1.2
181.02852	2.2
186.05487	2.3
186.14902	81.8
187.15239	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	186.9954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65405	1.2
67.02623	1.1
69.81477	4.1
82.69911	1.1
104.99275	100.0
126.98579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
54.83834	0.5
55.01874	5.5
55.05514	22.1
57.03431	0.8
57.07084	0.6
58.99592	14.1
59.96727	1.1
61.01155	15.2
61.02931	1.2
65.03943	1.5
66.04727	0.7
67.05507	1.1
69.03432	18.3
69.07071	8.0
69.40408	1.8
69.40810	1.2
70.06563	0.8
70.39525	0.6
71.04996	1.4
73.01145	39.8
73.02920	1.4
79.05496	37.7
80.05827	1.5
81.03422	19.9
81.07059	100.0
82.07394	2.5
83.01337	3.0
83.08619	1.6
84.32083	0.5
85.01133	2.1
85.02908	26.4
87.02696	5.2
88.02224	4.2
89.00620	0.6
91.05476	1.1
93.07048	0.8
95.04964	0.7
97.02889	2.9
98.23390	0.7
99.02682	0.8
99.04451	4.5
105.07097	0.9
109.02872	3.8
109.07629	0.7
113.04234	1.8
115.05811	4.8
116.98656	0.6
117.07035	0.8
118.06581	1.0
121.68517	0.5
127.03916	9.9
145.04984	0.8
145.10254	0.6
146.06009	0.9
146.91794	0.9
159.07014	2.9
159.08139	0.6
159.11720	0.9
171.71317	0.6
187.06050	15.9
187.07632	2.3
187.11095	1.2
187.12646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01868	1.2
55.05509	1.6
61.02939	0.7
64.32962	0.5
67.05504	4.5
69.03429	7.7
70.06598	0.6
70.78182	1.5
79.05495	4.3
81.03417	5.4
81.07044	2.1
83.08585	1.1
85.02910	5.0
88.02229	3.4
88.64876	0.6
89.87395	0.6
91.05478	9.5
93.07035	2.8
95.04977	4.0
97.02894	1.3
99.04481	0.7
103.05454	1.3
104.04073	1.4
105.07032	20.5
105.07752	1.1
107.04972	2.7
109.02865	1.2
109.06509	0.9
115.05456	4.1
116.06233	2.4
117.07022	13.0
119.08567	6.7
121.06487	2.3
127.03919	2.7
128.06256	4.3
129.07008	13.8
130.07811	6.4
131.04932	1.6
131.08580	20.8
132.08888	0.7
133.06468	1.0
141.06972	6.5
142.07777	2.8
143.08589	5.0
144.05684	2.1
144.08263	1.2
144.09338	13.4
145.06490	19.0
145.10124	18.5
146.07167	1.2
146.10419	0.6
146.91891	0.8
153.07042	1.3
154.07791	8.3
155.05975	0.9
155.58582	0.7
157.06488	2.8
157.10126	3.9
158.07286	7.1
159.06967	2.9
159.08049	12.6
159.11688	36.5
160.12001	1.1
169.07866	0.8
169.10129	11.5
171.08073	1.3
172.08827	18.7
187.06161	4.1
187.11179	100.0
188.11543	4.3
206.20761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03957	0.8
55.05504	1.3
57.07074	5.0
65.03939	0.6
67.05503	7.9
68.58145	0.6
69.03386	0.6
69.07058	4.0
78.30590	0.6
79.05495	7.7
81.07065	6.2
83.08620	1.0
88.02225	3.7
91.05476	21.3
92.05815	0.7
93.07037	7.1
95.08603	4.4
98.22609	1.2
103.05495	0.9
105.07028	21.5
107.08587	4.6
109.10140	1.0
115.05455	1.6
116.06234	1.4
117.07013	23.9
119.08572	17.2
121.10123	3.2
129.07001	4.4
130.07767	5.3
131.08562	59.6
132.08875	2.9
133.10094	4.0
143.08554	3.9
144.09320	2.4
145.10115	87.4
146.10410	4.0
157.10158	1.2
158.10910	2.5
159.06982	1.6
159.11679	13.0
172.12440	1.0
173.08386	0.9
185.13301	1.3
185.23436	0.6
187.14812	100.0
188.15167	5.9
200.16151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.59740	0.7
55.05506	1.9
57.07067	4.9
60.43537	0.8
67.05502	9.2
68.81692	0.8
69.07063	3.9
70.07183	3.0
79.05495	8.1
81.07041	5.9
83.08609	2.2
88.02220	10.6
91.05476	22.9
93.07044	6.8
95.08585	4.7
103.05477	1.0
105.06379	1.4
105.07027	18.7
107.08630	3.9
107.30121	0.8
109.10130	1.3
115.05461	1.1
116.06268	0.9
117.07011	18.7
117.80761	0.8
119.08570	15.4
121.10139	2.7
128.06219	1.1
128.07095	1.4
129.06976	3.9
130.07758	2.4
131.08568	58.6
132.08931	1.7
133.10139	4.3
134.49196	0.8
143.08548	4.7
144.09297	1.6
145.10117	88.7
146.10529	2.6
158.10934	1.8
159.06970	2.6
159.11707	12.7
173.08432	0.9
187.11211	2.6
187.14812	100.0
188.09166	1.3
188.15158	6.4
197.35188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29148	1.0
75.07169	0.3
76.60098	0.3
90.14272	0.3
91.05478	5.8
92.23599	0.3
93.47278	0.3
103.05435	0.7
115.05460	6.4
117.05797	1.5
117.07011	4.3
118.06541	73.7
119.06876	2.6
132.08086	0.9
142.06529	5.9
143.07310	11.5
144.04465	0.6
144.08092	22.0
145.06471	0.7
145.08441	1.1
146.06006	100.0
147.06363	3.1
155.06044	1.2
160.07573	1.0
170.04570	0.6
170.06012	10.0
180.58578	0.4
188.07060	18.6
189.07394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.83567	0.3
60.27003	0.2
69.45635	1.7
89.55991	0.3
91.05483	5.1
103.05492	0.4
107.46658	0.3
115.05455	7.0
117.05779	1.8
117.07018	4.6
118.06542	75.7
119.06897	2.4
132.08109	0.5
142.06528	6.5
143.07307	12.4
144.04456	1.1
144.08089	24.9
145.06505	0.7
145.08406	1.2
146.06006	100.0
146.29393	0.3
147.06345	4.0
155.06035	1.0
160.07585	1.0
170.06017	8.7
171.06378	0.5
188.07066	19.4
189.07333	0.8
193.57916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16737	0.2
56.05020	0.2
59.55170	0.2
69.03451	0.1
69.11641	0.5
69.12067	1.1
70.06599	0.4
71.15790	0.2
72.04553	0.2
72.08154	0.2
79.05473	0.2
83.04980	0.2
84.04523	0.3
88.02231	0.2
91.05461	0.6
105.07022	0.6
110.06007	0.2
119.08578	0.4
128.04965	13.6
129.05290	0.4
131.08606	0.4
133.10161	0.4
144.08122	0.2
145.08879	0.9
145.09996	0.2
146.06004	100.0
146.91908	0.3
147.06354	3.9
156.09323	0.3
170.06326	0.2
170.08139	0.2
171.11626	0.4
173.08330	1.1
174.05501	18.4
174.10417	0.4
175.05893	0.8
188.07057	12.5
188.10532	1.4
188.15115	0.3
188.20107	0.8
189.07384	0.6
189.09030	0.4
189.12665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05513	0.9
57.07070	1.6
61.87852	0.5
67.05495	0.5
69.03422	2.0
69.07073	0.5
69.31840	3.3
70.03770	0.8
70.06607	0.8
72.04514	0.8
72.08146	1.4
79.05499	0.8
81.03416	2.3
81.07055	1.0
82.03739	1.1
82.06532	0.4
84.08170	0.9
85.02901	1.4
86.03239	1.6
86.06057	1.0
86.09705	100.0
87.09483	0.5
87.10021	2.8
91.05470	2.8
93.07043	1.2
95.05000	0.7
100.07620	0.7
105.07021	4.0
106.07356	0.6
107.08603	0.9
109.06548	0.5
110.03227	0.8
115.05460	1.9
116.10729	1.1
117.05774	0.5
117.07082	2.1
118.06540	14.2
119.04977	0.9
119.06867	0.5
119.08573	4.5
128.04297	0.6
128.10716	33.2
129.07025	0.6
129.11095	0.8
131.08600	2.1
132.08913	0.6
133.06523	1.2
133.10133	2.5
142.06514	1.2
142.12242	0.8
143.07304	1.9
143.08525	0.9
144.04468	0.5
144.08101	5.1
145.10101	1.2
146.06004	18.2
146.10550	1.1
146.11751	17.0
147.06345	1.0
147.08052	1.4
147.11647	2.6
156.09344	1.6
159.08052	0.9
160.12050	1.3
161.06023	0.7
161.09645	0.8
161.13261	1.5
170.06047	2.0
170.08156	0.5
170.11765	14.5
171.11772	1.8
173.09274	0.5
174.10437	1.9
188.03429	0.5
188.07080	3.7
188.11554	2.7
188.12984	0.8
189.05368	0.6
189.09085	1.2
189.12723	7.4
189.16333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
55.01874	6.0
55.05238	0.3
55.05512	10.5
56.05037	1.4
56.96565	13.6
57.03433	5.1
57.05817	0.8
58.06587	0.3
59.05003	0.7
60.04539	0.3
60.05645	0.6
60.08167	3.7
61.01159	0.4
61.02927	0.8
64.02735	0.2
64.34930	0.3
67.05506	0.6
69.03436	0.8
70.06590	4.2
70.98122	12.7
71.01359	2.8
71.04981	0.8
71.28425	0.3
71.95274	1.2
72.08155	100.0
73.02911	2.8
73.08492	1.1
74.07204	0.5
74.97614	1.0
75.04461	0.4
81.03426	0.4
81.07062	0.6
83.01331	2.0
84.04472	0.3
84.08142	57.2
85.01410	0.8
85.02906	0.8
85.06529	0.5
85.08465	0.3
86.09702	3.2
87.04465	4.0
88.03989	0.8
88.99156	8.7
89.02382	0.4
90.05547	0.3
95.01336	1.6
97.02901	0.5
98.97583	17.3
99.08079	0.7
101.00887	3.6
101.02377	6.8
102.02375	0.3
102.09144	0.5
103.00630	1.1
103.02450	1.2
103.03934	0.4
104.05325	0.6
105.07000	0.3
107.00195	2.7
109.06522	0.9
111.00758	0.5
112.07606	0.6
113.02356	1.1
115.02444	0.4
115.03920	6.3
116.07085	0.8
116.98620	11.1
117.03983	0.5
118.03485	0.3
118.08639	6.3
119.01918	11.6
120.02010	0.8
121.01660	4.0
121.02426	0.6
121.03488	0.8
126.09152	26.4
128.98596	1.5
129.00365	0.4
129.01834	2.4
129.03920	0.3
129.10228	0.7
130.08643	10.7
131.00163	0.6
131.01862	0.6
132.10211	0.6
133.03430	1.7
134.99658	4.9
135.03160	0.4
137.02957	3.1
139.02594	1.5
141.04025	0.4
143.01883	0.6
143.03403	0.8
143.11800	3.3
144.11296	0.3
144.13841	0.7
145.03456	1.1
146.01343	0.3
146.02463	0.4
146.52451	0.4
146.99646	6.6
147.01395	1.0
147.05038	1.9
149.01195	0.4
149.02844	0.4
153.00673	0.4
153.02505	0.3
153.04108	0.3
157.01329	5.3
157.03424	0.7
158.99693	0.3
159.05002	0.3
161.02945	2.0
163.04468	0.4
165.00719	7.7
165.06085	0.8
171.01308	0.5
172.10838	0.5
172.13322	3.1
173.02879	0.4
175.02483	0.4
177.02481	0.4
179.03964	1.2
182.24406	0.3
183.01730	1.1
185.02980	1.5
188.97067	0.4
189.00760	0.5
189.02405	0.8
189.04108	1.1
189.06047	3.8
189.12294	1.9
189.13533	1.2
189.15857	2.8
190.01320	0.3
190.05698	0.3
190.14383	3.4
207.01753	0.5
207.05330	0.6
207.07129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0395
Annotation	(Z)-But-2-ene-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01873	11.5
55.05510	6.9
56.05042	1.8
56.96553	1.9
57.03438	12.6
57.05816	0.7
58.06595	1.1
59.04997	1.8
60.08164	10.8
61.02937	0.8
64.44098	0.5
67.05499	1.9
69.78983	1.8
69.79395	0.9
70.06589	8.4
70.98103	1.2
71.01361	6.2
71.04977	1.3
72.08155	55.3
73.02917	5.8
74.07204	1.6
75.04485	1.0
83.01349	2.3
84.08142	100.0
85.02901	1.4
85.06552	2.1
85.08472	1.7
86.09702	10.4
86.13216	0.5
87.04467	9.7
88.03969	0.8
88.99177	0.6
89.02396	0.7
94.89010	0.5
94.93066	0.7
95.01332	2.2
98.22677	0.7
98.97595	3.2
101.00891	1.4
101.01710	1.0
101.02377	16.3
102.09211	1.3
103.03973	1.8
109.06540	0.8
111.00784	2.5
112.07601	0.8
113.02358	2.1
115.03928	15.4
116.00858	0.5
116.07121	1.6
116.98622	2.1
118.08644	3.0
119.01901	3.1
121.01625	1.3
125.02325	0.6
126.09153	40.0
129.01836	5.6
129.10254	0.9
130.07664	1.3
130.08635	20.7
131.03375	1.0
132.10176	2.7
132.58076	0.5
134.99658	1.0
137.02959	0.7
139.00255	0.8
143.03415	2.0
143.11787	3.9
144.10249	0.7
144.11322	1.0
144.13840	1.8
146.99565	0.6
147.01332	0.7
157.01314	14.2
157.03416	0.8
158.15434	0.6
165.00705	0.7
172.13359	1.9
175.02357	1.0
185.02870	0.9
189.03986	1.0
189.12282	1.8
189.13493	2.5
189.15948	5.8
190.14403	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	189.0394
Annotation	(Z)-But-2-ene-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.03947	0.9
55.01873	5.2
55.05513	9.4
56.05022	1.0
56.96562	4.6
57.03423	0.8
60.05656	4.5
60.08158	5.9
67.05505	1.3
69.03425	5.2
69.07062	3.2
69.99485	3.0
70.06590	19.8
70.98108	2.6
71.95279	0.7
72.08154	73.8
75.05601	1.9
83.01315	2.6
84.08137	30.7
85.02921	1.2
85.06544	3.6
86.09702	100.0
87.10048	1.1
97.02890	20.5
98.93733	0.7
98.97575	15.6
102.09173	1.8
105.07042	1.0
110.97622	0.9
114.83060	0.8
115.03934	1.3
116.07114	1.0
116.98611	9.7
118.08561	0.8
119.01992	0.9
125.02351	79.9
126.02690	1.3
126.09155	1.0
126.12795	1.4
128.98598	0.9
130.08640	12.2
132.10176	6.2
134.99657	3.8
141.03932	2.4
143.11766	5.8
144.13853	5.2
146.99661	1.4
153.01826	15.9
154.02203	0.8
157.03436	0.8
159.04994	2.1
159.92386	0.9
161.07138	1.6
171.02901	1.8
172.10909	1.2
185.02910	4.4
189.06609	2.0
189.13504	2.4
189.15944	4.2
190.04878	1.1
190.14365	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	(E,Z)-2,8-Decadiene-4,6-diyn-1-ol acetate
Peak:m/z	Relative Intensity
67.04909	0.5
69.88845	1.8
70.06596	2.3
74.07211	0.5
77.87843	0.5
79.05489	0.7
81.03427	0.5
81.07082	0.5
84.08142	0.8
91.05499	1.5
98.97599	0.5
102.74585	0.4
103.05473	1.4
105.07044	2.0
115.05443	2.1
116.06363	0.6
116.07143	0.6
117.07006	0.9
118.07777	0.7
119.04967	0.8
119.08571	0.9
127.05471	0.5
128.05260	0.5
128.06227	16.6
129.07007	50.0
130.07730	1.6
131.04919	5.4
131.08562	8.1
133.10085	0.9
141.07042	0.7
143.08600	1.5
144.05724	0.9
145.06482	3.4
146.03671	0.5
146.07275	6.7
146.36626	0.5
147.04451	0.8
147.07965	1.0
155.06026	2.3
156.05663	0.6
157.06488	22.4
158.07281	10.9
159.04402	5.2
159.07990	0.6
160.04744	0.5
161.05989	1.2
161.09619	4.2
173.06009	1.3
174.06761	75.1
175.07103	2.9
189.09099	100.0
190.09514	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	189.1234
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
52.87521	0.4
53.03962	0.4
55.01883	0.5
55.05515	9.7
56.05037	1.4
56.96582	0.7
57.03433	1.0
57.05816	1.1
58.06633	0.4
58.99906	0.4
60.05646	2.3
60.08168	4.3
67.05504	1.1
67.98286	0.4
70.06215	0.5
70.06599	10.0
70.98130	0.6
71.28024	0.7
72.08157	79.4
73.02928	0.6
73.08487	1.2
74.07203	1.1
80.99236	0.4
81.07067	0.6
84.08145	100.0
85.02905	0.4
85.06536	1.6
85.08468	2.2
85.08929	0.6
86.09708	23.4
87.04442	0.6
97.02921	0.5
98.06023	0.5
98.97593	1.9
99.08084	1.0
101.02385	0.9
102.09165	1.1
109.06509	0.7
112.07612	0.5
115.03932	0.8
116.07091	0.8
116.98602	1.0
118.08657	3.3
119.01894	0.8
125.02363	2.0
126.09157	51.7
127.09496	1.6
129.10234	1.1
130.04958	0.9
130.08647	12.0
139.02435	0.4
141.03976	1.9
143.11783	2.9
144.10199	0.4
144.13876	0.9
145.03389	0.5
147.11270	0.8
157.01346	0.6
157.03445	0.9
159.05028	1.0
163.88487	0.4
172.10841	1.2
172.13339	3.8
172.14713	0.5
172.15414	0.4
185.02914	3.2
189.07455	0.5
189.12022	2.9
189.13541	1.5
189.15996	1.8
189.17801	0.4
190.14394	4.7
193.68642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
54.18847	0.2
55.01874	3.9
55.05512	4.6
56.05035	2.0
56.96567	15.1
57.03444	3.5
57.05828	0.5
58.06592	0.3
59.05012	0.4
60.04531	0.4
60.05649	0.6
60.08171	2.1
61.01171	0.3
61.02928	0.7
67.05517	0.8
69.03438	0.4
69.07069	0.4
70.06601	4.3
70.98124	14.0
71.01352	1.4
71.04990	0.5
71.95268	1.2
72.04514	0.3
72.08156	52.3
72.96061	0.2
73.02914	1.8
73.08485	0.9
74.07203	0.4
74.97610	1.2
75.04489	0.3
76.64413	0.2
79.65585	0.2
81.03397	0.3
81.07081	0.7
82.99856	0.3
83.01320	1.1
84.08144	100.0
84.96053	0.3
85.01418	0.4
85.02914	0.6
85.06544	0.4
85.08481	1.9
86.09715	2.8
87.04465	2.7
88.04002	0.9
88.99161	8.9
89.02418	0.3
95.01343	1.3
97.02890	0.5
97.99216	0.2
98.06041	0.2
98.09709	0.3
98.97588	19.5
99.04463	0.2
99.08107	0.9
101.00899	2.6
101.02378	4.8
102.00964	0.2
102.09206	0.5
103.00652	0.6
103.02460	1.3
103.03931	0.4
104.05351	0.8
107.00198	2.4
109.06521	0.9
110.97587	0.2
111.00829	0.7
112.07613	0.9
112.74018	0.2
112.99120	0.3
113.02399	0.8
115.02457	0.5
115.03934	3.7
116.07114	0.7
116.98623	10.9
117.01972	0.2
118.08656	3.5
119.01919	6.8
120.02030	0.7
121.01669	2.7
121.02440	0.3
121.03433	0.4
126.09155	59.6
127.03915	0.6
127.07569	0.4
127.09523	1.8
128.00198	0.3
128.98611	2.3
129.01862	1.5
129.03961	0.3
129.10246	1.1
130.08641	10.3
131.00159	0.6
131.01897	0.5
131.09000	0.3
132.10190	0.5
133.03452	1.2
134.99663	4.3
135.03209	0.3
135.05095	0.2
137.02945	1.5
139.02673	0.9
140.00230	0.3
140.04977	0.2
143.01935	0.3
143.03377	0.6
143.11777	3.4
144.05057	0.3
144.10213	0.2
144.13857	0.5
145.03467	0.8
146.98463	0.5
146.99643	7.4
147.01408	0.6
147.05002	1.3
147.11288	0.4
149.01237	0.5
153.00739	0.5
157.01320	3.8
157.03403	0.4
159.05043	0.4
160.02896	0.2
160.15199	0.2
161.02972	1.4
163.04477	0.3
165.00726	6.6
165.06131	0.6
167.01994	0.3
168.55322	0.2
171.01262	0.2
171.05095	0.4
172.09552	0.3
172.10922	0.5
172.13310	4.1
173.02948	0.4
177.00829	0.4
177.06213	0.2
178.04881	0.4
179.04031	0.7
183.01790	0.9
185.02991	1.9
188.97061	0.2
189.00708	0.5
189.02386	0.7
189.04257	2.0
189.06122	1.9
189.12070	3.5
189.13631	1.3
189.15881	1.4
190.01228	0.3
190.14378	4.4
203.03992	0.2
207.01729	0.3
207.05482	1.0
207.07086	0.3
208.10373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1233
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01865	0.7
55.05512	3.9
56.05021	0.5
56.96572	0.7
57.05809	0.4
60.05647	0.7
60.08154	1.0
69.07070	0.6
69.76068	0.7
69.76433	1.5
70.06593	2.6
70.98131	0.4
72.08155	31.7
75.05596	0.3
80.90941	0.3
82.33450	0.4
84.08148	4.3
85.06561	0.6
86.09705	100.0
87.09387	0.3
87.10020	1.8
97.02921	0.9
98.22697	0.6
98.57790	0.4
98.97587	3.0
102.09183	0.8
116.98614	1.4
125.02351	2.8
130.08618	2.3
134.99719	0.6
141.03978	1.6
144.10240	0.4
146.99658	0.5
153.01819	0.5
157.03479	0.5
159.05034	0.9
172.13297	0.5
181.45331	0.3
185.02950	2.2
189.12270	0.8
190.14287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06784	2.1
55.05486	4.3
56.42908	2.0
57.04547	2.5
60.05619	2.4
60.71773	2.5
67.05495	6.2
69.03411	9.2
69.07041	2.3
70.06593	12.8
79.05489	5.4
79.80038	2.1
80.19258	2.2
81.07052	3.9
83.04980	3.4
84.08135	6.4
91.05489	14.3
93.07002	4.2
95.04944	3.1
98.97581	3.0
105.07030	21.6
107.08564	4.6
116.07066	5.2
116.98621	5.2
117.07031	2.7
119.07784	3.6
119.08588	46.1
120.52245	2.2
124.60137	2.1
124.97535	2.9
127.59473	2.2
128.06198	2.1
129.06993	4.9
130.08600	3.0
131.08554	10.4
133.06474	5.1
133.10149	19.8
134.05984	4.3
134.99625	2.1
135.08092	5.1
135.85329	2.6
143.08473	4.8
145.06451	5.7
145.10114	5.3
146.07072	2.0
147.08047	20.8
147.11685	14.5
149.02310	3.6
156.09351	15.9
159.08067	14.1
159.11719	3.4
160.08812	8.1
161.05847	2.4
161.07094	2.7
161.09624	13.7
161.13264	23.8
171.05612	3.8
171.11664	19.4
174.06735	6.7
174.10408	33.3
189.06569	6.0
189.09143	7.3
189.12721	100.0
190.13084	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
60.96695	2.2
61.48001	2.0
69.03432	4.3
69.72551	3.6
69.72968	8.6
70.06576	3.6
72.08156	2.4
72.97519	2.4
78.49875	2.2
79.05478	2.5
86.09708	19.9
88.16140	2.7
91.05474	10.6
100.87661	2.3
105.07027	23.5
107.08549	2.9
117.07001	4.1
119.08575	29.1
121.10189	2.7
128.06226	4.3
129.06998	4.2
130.07765	4.7
131.08575	11.9
133.06496	4.3
133.10124	8.0
141.06985	10.8
143.08554	7.4
145.10117	19.9
146.10942	3.5
147.06291	3.7
147.08060	12.1
147.11682	35.0
147.12758	3.1
148.17603	2.1
156.09348	50.9
157.09750	2.8
159.08043	10.2
159.11693	9.7
160.08839	3.3
161.09624	7.1
161.13223	5.3
171.11699	53.3
174.10382	13.1
189.09061	3.6
189.12752	100.0
190.13058	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15667	0.4
50.36635	0.5
53.03931	1.0
55.01863	1.1
55.05516	3.9
57.07068	1.2
57.22641	0.4
62.14087	0.5
64.31248	0.5
65.03937	1.1
67.05511	2.4
69.03431	3.6
69.07074	3.6
69.32247	3.2
79.05496	5.5
81.03408	1.4
81.07048	4.4
83.04972	2.5
91.05480	9.8
91.82968	0.4
93.07043	2.7
95.04960	1.1
95.08624	0.8
103.05473	1.1
105.07034	21.7
107.04946	0.9
107.08609	4.0
108.82590	0.4
109.06530	2.2
109.07205	0.5
115.05457	1.9
117.07018	4.1
119.04905	1.4
119.08582	35.5
120.08909	0.6
121.06499	1.7
121.10155	4.5
128.06230	4.1
129.07019	3.7
130.07748	1.1
131.08556	7.1
132.05702	0.8
132.09351	1.1
133.06517	5.2
133.10133	36.4
134.10414	1.4
135.08052	5.9
141.06982	7.5
142.07727	1.1
143.08566	6.6
144.05634	0.5
144.09331	1.9
145.06479	5.1
145.10132	6.5
146.07272	1.9
146.10898	1.8
147.08054	17.3
147.11697	21.2
148.08319	0.6
148.12053	0.6
149.09622	3.3
153.06978	0.5
155.08560	2.2
156.09349	43.8
157.07652	0.7
157.09671	3.0
159.08061	31.7
159.11682	11.5
160.08859	7.9
161.09637	7.3
161.13252	18.1
162.13576	0.9
171.11688	34.4
172.12027	1.1
173.09619	2.2
174.10406	62.6
175.10727	3.0
187.11122	0.7
189.12746	100.0
190.13065	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42128	0.4
53.03958	0.5
55.01874	0.7
55.05507	2.1
59.05007	0.4
62.88197	0.4
67.05509	0.9
69.03431	1.5
69.07074	1.3
69.36944	2.5
70.06592	1.1
70.07635	0.3
70.36314	0.3
72.08133	0.8
79.05499	1.9
81.03403	0.7
81.07056	1.3
83.04983	0.8
86.09218	0.6
86.09716	8.8
87.10034	8.1
91.05479	15.8
93.07034	1.7
94.42958	0.4
95.04946	1.9
95.08610	0.8
98.22616	0.4
103.05505	0.6
105.07033	13.9
107.08578	2.3
109.06520	1.0
113.69062	0.4
115.05461	2.1
116.06233	4.3
117.07026	4.2
119.08579	19.5
120.08911	0.7
121.06495	1.0
121.10133	1.2
128.06238	1.5
128.10721	1.5
129.07021	4.4
129.11073	4.2
130.07784	1.2
131.08566	100.0
132.08875	3.8
133.06496	1.5
133.10127	4.6
135.08037	1.0
141.06985	1.1
143.08553	3.9
145.06491	0.7
145.10126	9.0
146.10719	1.2
146.11835	0.7
147.06349	0.4
147.08055	7.1
147.11678	35.5
148.12053	1.4
155.08644	0.7
156.09349	6.5
159.08058	3.3
159.11679	0.9
160.08830	1.7
161.09625	2.7
161.13252	4.4
171.11740	7.6
172.12071	0.7
174.10413	6.3
189.05476	0.6
189.09143	2.1
189.12749	33.2
190.04985	1.1
190.13055	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01864	7.0
55.05515	6.7
57.07064	1.9
59.04985	1.9
67.05506	6.9
68.46476	0.9
69.03412	3.4
69.07080	5.9
70.06582	2.5
70.34299	0.9
70.34613	1.9
72.08152	1.5
79.05491	10.5
81.03416	8.5
81.07059	14.7
83.04980	2.5
87.03299	1.0
91.05481	34.4
93.07046	8.8
95.04968	19.6
95.08615	5.0
96.05396	0.9
97.06544	1.3
98.23250	1.2
103.05474	4.1
105.07030	46.1
106.07341	1.8
107.04951	4.3
107.08601	7.2
109.06500	8.3
115.05457	3.8
116.06223	4.7
117.07020	14.7
119.04942	15.7
119.08580	49.4
120.08914	1.1
121.06528	7.4
121.10124	3.0
128.06210	8.7
129.07002	10.9
130.07758	3.4
131.04851	1.0
131.08572	33.6
132.05661	1.1
132.08907	1.4
133.06493	14.0
133.10129	20.1
135.08043	1.7
141.06963	6.3
142.07805	2.2
143.08554	13.5
144.09306	1.3
145.06502	5.3
145.10123	24.6
146.07256	4.2
146.10872	2.2
147.04347	1.2
147.08047	22.5
147.11688	31.8
155.06053	1.3
155.08556	1.6
156.09344	30.8
159.08051	14.5
159.11671	6.6
160.08815	4.3
160.12100	1.0
161.09653	10.9
161.13275	14.8
171.11688	25.3
173.09552	1.2
174.10405	34.0
175.10765	1.4
189.09137	10.0
189.12743	100.0
189.16351	3.2
190.13115	6.3
197.28886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21876	1.1
52.76999	1.1
53.03946	1.7
55.01874	25.7
55.05509	7.1
57.07064	1.3
65.03944	1.3
67.05489	3.6
69.03435	8.5
69.07059	4.9
70.06594	2.4
70.44685	3.4
70.68086	1.2
79.05493	5.7
80.85978	1.0
81.03429	1.5
81.07046	3.5
81.51395	1.1
83.04987	2.7
91.04960	1.8
91.05474	17.8
93.07048	10.2
95.04939	3.2
97.06536	1.1
97.07249	1.1
103.05445	2.1
104.28336	1.1
105.07031	33.0
107.04976	1.7
107.08602	5.7
115.05434	2.6
116.06222	1.5
117.07009	8.5
119.04974	1.2
119.08582	78.0
120.08936	2.8
121.06489	3.9
121.10159	13.5
128.06204	3.6
129.07002	6.0
130.07809	2.9
131.08586	15.2
132.05670	1.8
133.05557	1.1
133.06483	4.6
133.10135	35.2
135.08037	4.9
141.06995	5.7
143.08522	8.8
144.09315	3.5
145.06467	5.3
145.10097	8.8
146.07317	1.5
146.10883	3.7
147.08044	36.9
147.10608	1.7
147.11696	18.9
148.08403	1.6
156.09348	25.9
159.08060	23.5
159.11652	13.3
160.08859	7.7
161.09619	7.9
161.13261	49.9
162.13603	1.8
171.11699	27.7
172.12044	2.4
173.09612	1.6
174.06894	1.2
174.10402	41.2
175.10762	1.7
185.82933	1.2
189.09154	5.6
189.12741	100.0
190.13075	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	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
57.04565	10.1
59.42907	0.2
60.08171	3.1
67.05523	0.3
69.39098	1.2
69.74372	0.2
70.06596	100.0
71.04995	2.5
71.06924	1.8
72.08160	6.1
74.02447	0.2
74.07207	31.3
75.06940	0.2
75.07519	0.3
84.08148	12.8
85.07660	0.3
88.07644	1.7
96.36621	0.2
97.07666	0.7
98.06062	0.4
112.08715	2.7
113.07153	0.5
114.10316	0.2
115.07864	0.2
115.08697	6.6
116.07098	36.6
117.07433	0.6
126.10284	1.8
128.11830	0.3
130.08656	4.3
133.09734	3.3
141.06609	0.4
144.11325	18.3
145.11740	0.2
158.09282	6.2
164.02176	0.2
171.12395	1.0
172.10825	6.3
189.13478	28.4
189.15883	1.8
190.13734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77875	0.4
56.05037	1.3
57.04567	9.1
60.08168	13.7
67.05511	1.2
70.06598	100.0
70.39910	1.3
71.04987	2.2
71.06934	1.3
72.08167	5.5
74.02437	0.7
74.07207	33.2
84.08150	61.7
85.06548	1.2
85.08504	1.3
86.09740	0.5
88.07635	1.2
96.12112	0.4
97.07662	0.8
98.06042	0.4
110.66146	0.4
112.08752	2.5
112.45702	0.5
115.08704	5.7
116.07100	37.1
117.07436	0.8
121.47108	0.5
123.04433	0.4
126.10271	1.9
130.07671	1.1
130.08649	22.0
131.08958	0.5
133.09746	1.9
144.11334	15.7
144.13795	1.8
145.11655	0.4
158.09282	5.3
171.12395	0.9
172.10814	4.3
182.01332	0.4
183.50667	0.4
189.13454	26.9
189.15991	8.5
190.13748	0.5
206.80980	0.4
209.17941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.0
55.05513	2.8
56.05033	2.8
56.96566	19.9
57.03432	7.9
57.07077	3.4
57.64858	2.0
58.06598	3.4
60.08166	25.8
61.02924	3.8
62.98459	1.6
67.05499	6.9
69.03419	4.2
70.06572	5.0
70.21022	6.4
71.05003	3.9
71.06924	2.1
72.04534	2.3
72.08159	50.2
73.02930	10.6
73.08490	11.1
74.06055	2.5
81.03417	4.5
81.07070	7.5
83.04998	2.2
84.08141	43.2
85.02911	6.5
85.06550	27.9
85.08474	27.0
85.08939	2.1
86.09720	3.5
87.04475	3.6
87.06880	2.4
87.10072	1.7
91.75966	1.6
94.93031	3.1
95.04986	2.2
97.02908	4.5
98.97557	11.3
99.08099	5.5
100.99178	2.2
101.00869	6.9
101.02391	3.4
102.00967	4.0
102.09162	8.8
104.05346	2.0
109.06519	24.1
110.97568	3.3
111.02937	2.3
113.00909	2.0
115.03943	2.7
116.98634	6.2
119.01929	13.3
120.02028	6.0
121.01691	3.1
123.02922	3.0
126.09183	3.6
127.07560	5.8
127.09495	10.5
128.98618	3.9
130.08646	8.0
131.01891	3.1
131.08997	5.0
133.03459	4.4
134.99655	2.3
137.02951	3.4
138.03125	2.6
139.02486	3.6
141.03976	6.8
143.01897	4.1
144.05099	2.2
144.10219	1.9
144.13821	20.1
145.03467	4.9
146.99670	3.7
148.01465	2.8
149.01221	8.0
154.12187	4.5
155.01871	2.1
156.06804	2.3
157.03464	14.8
158.01645	5.4
159.05026	5.2
161.03038	4.9
162.03014	2.0
162.05530	3.5
165.00713	3.2
167.02028	4.3
172.13329	31.6
173.02940	4.9
177.00749	2.2
183.34839	2.0
185.02975	42.0
186.03178	3.4
190.01257	2.9
190.05540	3.7
190.08624	2.8
190.14403	100.0
190.16153	5.0
191.02187	2.1
191.03961	2.7
191.08199	3.1
191.14600	2.9
203.04034	7.6
208.99709	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0897
Annotation	Prenisteine
Peak:m/z	Relative Intensity
55.05502	2.1
56.96567	5.1
57.47153	1.4
58.99589	83.6
61.01151	2.4
67.05503	17.0
68.21987	1.4
69.07069	53.4
69.44835	6.3
69.76535	1.3
70.06593	9.5
70.58975	1.5
72.93782	2.9
73.01131	1.4
74.00664	8.4
76.02238	12.3
84.08170	2.9
85.08932	2.6
86.09706	62.0
86.99055	29.2
87.10020	1.6
88.02222	2.2
88.07633	5.4
93.07023	1.7
98.22696	3.2
98.97587	2.7
99.02702	1.6
101.04246	100.0
102.04623	1.5
102.09192	1.7
105.00094	11.5
106.08659	2.1
116.98638	1.5
119.08579	1.6
120.01147	3.8
120.08143	2.7
122.02710	2.7
127.05788	6.0
131.97491	1.5
134.05969	1.5
135.11720	1.7
144.08437	11.1
145.07605	3.7
146.06026	4.3
148.97336	2.1
149.01231	6.7
149.02306	2.5
149.96083	2.1
162.05508	4.9
167.02361	2.3
167.97255	2.6
173.06303	25.5
190.04959	1.6
190.08882	11.8
190.10408	1.2
190.12196	1.4
190.18018	22.3
191.08188	2.5
191.14265	3.5
199.77496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
50.46076	0.3
50.99078	0.8
55.05494	0.5
57.07074	26.3
58.07410	0.3
59.99110	5.0
62.99081	0.8
69.56017	1.3
78.00151	43.6
79.05480	0.6
80.31794	0.3
81.07030	0.6
84.08143	0.8
86.09705	9.8
87.04492	0.4
91.05483	0.7
92.01691	1.1
93.07050	0.7
98.23367	0.4
105.07037	0.8
107.05321	0.3
107.08579	0.9
109.06532	0.3
116.05270	1.0
117.07003	0.3
119.08552	0.7
121.06529	0.5
121.10154	0.8
129.07030	0.3
131.08556	1.0
133.10104	0.6
134.06348	48.2
135.06648	0.9
135.08069	0.8
135.11679	0.3
136.36617	0.3
145.10130	0.6
148.07904	3.0
149.02359	0.4
149.09554	0.3
162.05495	1.1
172.11719	0.4
173.13277	0.7
180.90884	0.4
190.12596	100.0
191.10629	1.0
191.12871	3.3
191.14343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03944	3.0
54.29248	0.6
54.79938	0.6
55.01874	2.1
55.05506	3.1
56.96585	0.9
57.03446	1.0
60.23930	0.7
61.75154	0.5
65.03942	0.7
65.55291	0.5
67.05505	4.0
69.03443	2.1
69.07067	4.9
70.06582	0.5
71.28707	0.7
79.05495	17.5
81.07063	2.6
83.04986	2.6
91.05483	19.0
93.07044	12.8
95.04963	5.5
97.02886	1.0
97.06544	3.9
103.05447	2.3
105.04536	1.2
105.07031	35.1
106.07346	0.7
107.04958	21.1
107.08591	6.9
107.09225	0.9
109.06525	1.9
115.05447	2.8
115.39648	0.6
116.06260	1.6
117.07020	21.2
118.07355	0.6
119.08577	7.8
119.15154	0.5
121.06502	33.2
121.10131	6.4
122.06851	0.7
128.06247	1.6
129.07007	4.0
130.07791	11.9
131.04878	1.0
131.08571	28.0
132.08908	0.9
133.06465	1.4
133.10135	1.4
135.04446	0.9
135.08038	1.8
135.11696	3.2
143.08551	4.6
145.06490	1.4
145.10121	100.0
146.10468	3.0
147.07997	1.2
147.11699	3.5
149.01242	1.2
149.05951	3.6
149.09601	3.7
155.08542	1.9
158.07283	2.4
162.05450	1.1
163.07576	0.8
163.11180	18.8
167.02237	1.1
173.07257	0.8
173.09607	9.2
173.13295	0.9
174.09933	0.7
191.10651	29.4
191.14316	4.0
192.10980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.06848	0.8
53.94484	0.9
55.01868	1.4
55.05514	2.7
56.96566	2.1
67.05492	3.4
69.03416	2.4
69.07070	6.2
71.03025	1.0
71.03371	1.5
71.04970	1.4
79.05502	6.5
81.07068	5.4
83.01337	4.0
83.04976	2.2
83.08618	1.4
85.02923	1.2
85.06535	0.9
91.05485	9.0
93.07056	7.7
95.04974	3.1
95.08607	3.9
97.06538	1.0
103.05482	2.2
105.07038	15.8
107.04941	2.0
107.07953	1.3
107.08605	13.6
109.06506	4.0
109.10142	5.6
111.04440	13.0
115.05425	1.1
117.07048	4.6
118.06592	1.0
119.08597	6.2
121.06496	7.6
121.10135	6.2
123.08079	5.0
123.11691	1.9
129.06992	3.1
130.07776	3.8
131.04988	0.9
131.08572	11.7
133.06488	1.2
133.10147	10.1
135.08058	34.7
135.09099	1.7
135.11647	4.5
136.08376	1.0
143.08589	2.6
145.06461	1.1
145.10136	19.1
146.05980	2.5
147.08069	1.7
147.11705	5.5
148.05205	1.3
149.01163	1.2
149.09596	5.4
149.13274	3.5
151.07549	1.1
155.33746	0.9
158.07275	3.7
158.10886	1.6
161.05971	6.4
162.05482	5.7
163.07568	1.3
163.09828	1.1
163.11182	21.4
167.02237	1.2
168.57838	1.0
173.07201	1.9
173.09601	12.1
173.13254	9.1
174.05443	1.3
175.07558	1.2
176.04808	1.2
176.08328	23.2
176.09792	1.5
177.08630	1.2
191.10672	100.0
191.14296	22.0
191.17920	1.5
192.10995	3.6
197.61208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
51.00097	0.7
53.03939	2.3
55.01873	2.8
55.05513	6.5
55.88788	0.5
57.03441	4.5
57.07083	0.7
60.23367	0.5
62.51184	0.5
63.47750	0.5
65.03934	1.0
67.05505	8.6
69.03436	7.8
69.07065	8.5
71.04986	2.3
71.29610	0.8
77.03907	1.0
79.05494	24.3
80.05813	0.8
81.03418	1.2
81.07059	14.3
83.04982	3.3
83.08611	1.0
85.06567	1.1
87.11610	0.6
91.05481	21.5
91.43761	0.6
92.05824	0.6
93.07046	24.5
94.82427	0.5
95.04970	6.0
95.08607	24.9
97.02911	0.6
97.06541	5.4
103.05467	3.0
105.07034	49.9
106.07374	1.8
107.04953	18.2
107.05690	0.6
107.08593	21.1
109.02876	0.8
109.06521	5.9
109.10143	6.7
111.08083	0.9
115.05456	2.7
116.06216	2.3
117.06200	1.2
117.07022	21.6
119.08580	23.5
120.08121	0.7
121.06506	32.7
121.10139	12.6
123.08053	4.0
123.11714	0.6
128.06183	1.4
129.07016	5.1
130.07790	11.0
131.04874	1.6
131.08571	35.9
132.09338	1.0
133.06488	2.2
133.10126	20.4
135.04437	1.6
135.08046	11.7
135.08972	1.1
135.11702	7.1
137.09598	1.6
143.08537	4.7
144.09319	1.0
145.06447	1.5
145.10121	100.0
146.10446	2.8
147.04369	0.7
147.08089	2.0
147.11694	9.2
148.08830	0.8
149.05956	2.6
149.09625	8.6
149.13272	6.5
155.08542	1.4
158.07239	2.8
158.10909	2.6
161.09631	1.2
161.13251	8.1
162.05482	1.7
163.07532	1.8
163.11179	19.6
163.14822	2.6
173.09642	7.1
173.13261	13.0
173.14629	1.1
176.03404	0.6
181.27074	0.6
191.06911	1.1
191.10674	26.2
191.14310	64.1
192.14679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	1.5
55.01872	1.4
55.05512	4.1
57.03437	0.6
57.07069	1.3
58.20125	0.6
59.04997	0.6
61.01147	1.5
65.03932	1.1
67.05510	5.8
69.03428	19.2
69.03908	3.5
69.04316	1.9
69.07069	13.5
70.06577	1.1
71.04979	2.0
79.05495	8.6
80.78059	0.5
81.03436	1.0
81.07057	9.2
83.04983	6.8
83.08617	2.1
85.06545	2.5
87.05574	2.5
91.05484	13.6
93.07047	10.0
95.04961	2.3
95.08605	15.3
95.38870	0.5
97.06519	5.9
98.06050	0.6
103.05471	1.6
105.07030	21.0
107.04938	2.1
107.08591	28.4
108.08972	0.9
109.02833	1.0
109.06520	9.8
109.10146	3.6
111.08113	4.2
115.05447	2.1
116.06231	1.3
117.07031	4.4
118.04140	3.2
119.04904	0.9
119.08577	23.0
120.08092	2.3
120.08878	0.7
121.02849	1.1
121.06500	5.4
121.09306	1.0
121.10145	16.3
123.08064	5.5
123.11713	0.8
129.06979	2.4
130.07814	1.2
131.04959	0.9
131.08571	18.0
132.08940	0.7
133.10133	17.8
134.05969	0.6
135.08055	20.1
135.11662	5.7
137.09645	1.1
143.08571	5.8
144.09329	2.0
145.06503	1.1
145.10126	10.8
146.06027	2.3
147.08018	1.8
147.11697	11.0
148.08788	0.8
149.01204	0.7
149.02304	1.8
149.09616	17.4
149.13255	8.1
150.10358	2.2
158.10909	8.7
160.05054	1.7
161.09618	4.4
162.05475	3.2
163.03925	1.4
163.07532	0.8
163.11147	4.3
163.14833	5.2
164.04686	1.1
171.11551	0.7
173.09715	1.2
173.13263	37.7
174.03053	0.9
174.05486	1.4
174.13623	1.9
176.11977	4.0
177.01784	1.1
191.03387	0.9
191.08173	2.4
191.10657	2.5
191.14305	100.0
192.04158	3.9
192.06418	0.7
192.14690	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.84369	1.1
53.03943	2.7
55.01864	4.7
55.05512	10.7
56.96561	1.5
57.03429	4.2
57.07068	4.1
59.05000	2.2
65.03941	2.5
65.77528	1.0
67.05511	13.7
69.03428	20.5
69.07073	13.6
71.04986	4.4
71.30294	1.3
73.34676	1.0
79.05489	18.5
81.03410	5.0
81.07053	14.6
83.04978	8.5
83.08599	4.1
85.06535	2.6
91.05479	35.7
92.05771	1.3
93.07039	31.5
95.04978	10.9
95.08607	17.1
97.06541	8.7
98.18215	1.0
98.77512	1.1
103.05474	12.9
105.04534	1.5
105.07031	49.6
107.04967	3.1
107.08591	60.2
108.08860	2.3
109.02864	6.9
109.06508	10.9
109.10147	10.1
111.08060	1.6
115.05447	7.3
116.06227	3.3
117.07026	13.9
118.04144	1.8
119.04939	2.4
119.08581	40.2
120.08105	22.9
121.06513	13.6
121.10142	40.5
121.11016	1.9
123.08035	6.1
128.06210	2.3
129.07018	12.7
130.04158	1.9
130.07764	4.2
131.04933	6.8
131.08566	95.6
132.08887	2.4
133.02863	2.9
133.06499	2.5
133.10130	35.1
134.10538	1.4
135.08057	19.7
135.11681	13.6
137.09625	1.3
143.08557	18.3
144.09337	7.1
145.06458	5.2
145.10117	38.4
146.03616	1.5
146.05988	3.0
147.08025	3.3
147.11684	43.6
148.05148	4.6
149.09627	17.9
149.10730	2.2
149.13264	22.2
156.09427	1.3
158.10916	29.6
160.04994	1.1
161.09615	2.5
161.13226	3.5
162.05498	4.3
163.07559	9.9
163.11168	4.8
163.14807	11.4
167.97281	1.3
171.11623	1.7
173.13261	91.1
174.05455	1.6
174.13565	3.8
176.11961	2.5
191.06802	7.0
191.08461	2.3
191.10660	9.4
191.14308	100.0
192.10147	1.9
192.14658	3.3
200.34348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26287	0.5
52.10440	0.5
53.03941	0.9
55.01874	6.0
55.05508	1.4
65.03941	0.6
67.05489	1.4
69.03411	0.6
69.07072	15.2
70.56617	0.9
71.04981	0.7
74.27814	0.5
75.30685	0.5
79.05495	3.5
81.07039	2.1
83.04983	2.0
83.28566	0.5
86.84964	0.5
90.93354	0.5
91.05487	6.5
93.07049	14.0
95.04971	1.2
95.08616	3.2
96.01745	0.5
97.06512	1.9
105.07030	5.5
107.04963	0.8
107.08597	11.4
109.06524	1.4
109.10161	3.5
111.08093	0.5
115.05417	0.9
117.07001	2.6
119.08573	3.8
121.06509	17.7
121.10144	10.9
122.06836	0.8
122.10503	0.6
123.08081	2.4
129.07057	0.6
131.04860	0.6
131.08578	7.4
133.06532	0.6
133.10124	6.8
134.10410	0.6
135.08049	8.7
135.11710	3.4
137.09633	2.4
143.08527	0.8
145.06459	0.5
145.10103	5.8
147.08022	0.7
147.11684	26.0
148.05138	0.5
148.12003	0.9
149.01164	0.7
149.09595	3.3
149.13266	10.2
158.10895	1.7
161.09619	7.2
162.05542	0.7
163.07620	0.6
163.11180	1.6
163.14822	2.0
167.81960	0.5
173.09654	0.7
173.13249	9.4
174.13631	0.5
176.11963	2.5
191.10648	2.2
191.14311	100.0
192.14638	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03952	2.5
55.01876	3.7
55.05510	9.5
57.03432	1.4
57.07073	1.4
59.05005	0.6
65.03957	1.1
67.05515	6.2
68.71786	0.7
69.03426	2.7
69.07068	14.9
70.56680	1.0
70.57026	1.3
71.04986	2.7
75.03900	0.7
77.03939	1.2
79.05497	11.1
81.03420	2.3
81.07055	16.2
83.04965	3.4
83.08608	5.4
85.06538	1.7
91.05479	20.7
91.06012	1.3
93.07046	27.2
95.04976	11.6
95.08610	12.6
97.06526	4.3
97.10187	0.9
103.05474	0.8
105.04518	0.7
105.07031	32.3
107.04953	10.9
107.08594	29.9
109.06530	7.2
109.10158	3.9
111.08097	1.8
113.86118	0.8
115.05448	1.8
116.06249	0.9
117.07008	6.5
119.08585	18.4
121.06508	99.5
121.10146	17.0
122.06802	1.6
123.08077	2.5
129.07039	2.7
130.07767	1.2
131.08569	31.2
133.06543	1.0
133.10127	39.8
134.10364	0.7
135.08054	100.0
135.11702	4.9
136.08397	3.1
137.09628	0.9
143.08572	3.6
144.09299	2.1
145.10123	12.8
146.06007	1.3
147.11691	15.1
148.08817	0.8
149.09619	7.1
149.13283	8.4
158.10916	5.9
161.09677	0.9
161.13284	5.0
162.05482	2.2
163.11188	2.5
163.14827	10.7
173.09407	0.9
173.13266	32.6
176.11990	1.8
191.10617	2.6
191.14307	69.5
192.06569	0.8
192.10168	0.8
192.14661	2.8
202.16451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	1.0
55.01871	5.3
55.05506	5.1
57.03444	1.0
57.07065	1.3
59.04975	1.1
67.05505	5.5
69.01131	6.0
69.01563	3.3
69.03421	4.2
69.07069	19.6
71.04995	1.8
79.05488	11.9
79.88190	1.0
81.03409	3.4
81.07058	11.2
83.04981	3.1
83.08611	2.4
85.06554	1.9
91.05478	15.1
93.07041	17.4
94.25245	0.9
95.04961	7.9
95.08603	14.1
97.06505	4.1
98.40380	0.8
103.05477	1.0
105.07026	20.7
107.04933	7.6
107.08591	23.2
109.06534	4.1
109.10135	5.3
109.41471	0.8
111.08113	1.3
115.05478	1.6
117.07011	5.2
119.08582	12.6
121.06509	20.4
121.09319	0.9
121.10143	13.2
122.07244	2.5
123.08035	4.7
123.11696	0.8
129.06999	1.5
130.07768	1.9
131.08574	17.7
133.06522	0.9
133.10129	26.1
135.08051	100.0
135.11691	4.2
136.08348	1.5
137.09624	5.1
143.08556	3.4
144.09319	1.5
145.10109	12.4
147.08084	1.0
147.11668	16.6
149.06038	0.9
149.09592	3.9
149.13255	14.5
158.10893	5.5
161.09642	3.0
161.13190	1.0
163.07571	1.1
163.11179	3.2
163.14815	5.7
173.09665	1.5
173.13261	16.8
174.05397	1.1
174.19283	0.8
176.11952	1.7
191.06956	2.0
191.10684	3.7
191.14307	59.4
192.14706	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.93345	2.7
53.03942	4.1
55.05514	3.6
56.96569	16.4
57.07069	4.1
67.05495	7.3
69.03435	24.8
69.07058	14.2
70.59519	5.8
79.05490	16.0
81.07050	16.7
83.04961	6.5
83.08640	3.0
90.94815	3.8
91.05492	16.5
91.06046	3.3
93.07044	21.7
95.04948	4.5
95.08604	8.0
97.06519	3.6
98.97590	4.9
103.05474	7.9
105.07011	22.7
107.04947	8.5
107.08600	41.3
109.06538	6.0
109.10154	12.8
115.05412	4.3
117.07005	7.1
118.06512	3.3
119.08572	13.5
121.06487	12.0
121.10149	30.9
122.07310	3.0
123.08053	5.0
131.00200	5.9
131.04965	3.0
131.08548	14.9
131.97424	4.6
132.95787	4.4
133.10127	100.0
134.10513	3.4
135.08038	13.3
135.11676	12.4
137.09610	13.2
143.08560	5.6
144.09377	2.7
145.07611	5.3
145.10129	16.6
146.05997	15.9
147.11697	15.8
148.05180	3.3
149.01228	16.8
149.09642	7.9
149.13271	23.6
149.96109	4.0
149.98508	3.7
150.96907	8.3
158.10901	11.0
161.09647	5.0
162.05522	13.8
163.07513	6.2
163.14828	7.1
167.02245	5.9
167.97157	6.5
173.07115	6.2
173.13275	37.3
191.06845	5.8
191.08304	6.7
191.10579	6.7
191.14301	96.4
191.16029	6.4
192.06619	7.3
192.08383	2.9
192.10202	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	192.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.01868	1.5
55.05512	4.4
56.05056	0.8
56.96566	1.4
57.03433	3.4
58.06606	1.4
59.04998	1.9
60.31665	0.3
60.56129	0.3
61.02915	2.5
65.05434	0.4
67.05515	1.5
69.03432	3.7
69.07080	0.6
70.06585	2.0
70.45941	0.4
71.04993	28.5
71.07370	1.0
71.28600	0.6
72.08154	64.7
73.02915	4.4
73.08504	0.7
81.03416	1.3
81.07064	0.6
82.39676	0.4
83.08609	2.6
84.08146	0.6
85.02906	5.6
85.03378	0.7
85.06553	1.6
86.09704	7.3
87.04453	2.5
91.05492	1.1
93.01927	0.6
93.07035	2.2
94.93015	0.5
95.04988	0.5
95.08606	0.7
96.02430	0.6
97.02908	3.1
98.09702	2.3
99.04465	0.7
101.00900	1.8
102.02451	1.4
102.09188	1.4
106.06537	0.7
109.02876	0.9
111.02977	0.7
111.08079	7.4
113.00883	1.3
115.02432	0.5
115.03247	0.4
116.10754	0.6
116.98615	0.4
117.02947	0.9
119.01907	3.6
120.02045	0.6
121.01656	0.6
121.03480	0.5
123.02938	1.3
125.04478	0.4
127.03939	1.4
127.87870	0.4
129.02919	0.9
129.09128	1.1
131.01903	3.5
132.01970	0.5
132.03441	1.1
136.07559	0.5
136.93980	0.4
138.03427	1.6
143.01904	3.4
144.01929	0.6
144.03502	1.1
145.03508	1.3
146.06020	0.7
147.01387	0.8
147.04137	0.6
148.07567	0.5
149.02972	0.9
153.03960	1.0
155.01912	3.5
156.13834	4.3
157.03450	0.8
161.02950	3.4
162.03099	0.7
167.01923	0.8
173.02979	5.3
174.03107	0.6
174.07500	0.4
174.14897	15.4
185.02989	2.3
187.00847	0.8
187.02821	1.0
187.04619	0.7
191.03986	0.4
192.06573	1.1
192.15958	100.0
193.16261	2.9
197.03000	0.6
203.04103	1.3
205.01958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03947	2.8
55.05509	11.3
57.07061	2.6
59.04971	1.9
67.05507	12.3
69.07067	28.4
70.89914	2.2
71.04990	17.5
79.05496	9.6
81.07054	24.1
83.08615	3.4
84.50662	1.5
85.06538	14.9
85.46909	1.1
91.05471	7.9
93.07044	27.9
95.04971	33.9
95.08605	22.3
97.06515	3.0
97.10165	7.6
99.08093	6.0
104.33794	1.3
105.07025	17.7
107.08594	42.0
109.06517	100.0
109.10155	30.4
110.06895	2.2
111.08041	6.7
111.11703	2.1
115.05452	1.6
117.07133	1.3
119.07779	2.4
119.08582	33.3
119.09432	1.6
119.32690	1.0
120.03842	1.2
121.10126	9.0
123.08068	8.5
123.11706	19.5
133.06520	1.7
133.10129	47.4
134.10495	1.4
135.10655	2.9
135.11687	54.4
137.09627	14.4
147.11687	5.3
149.13254	6.5
151.11198	4.8
151.14847	1.3
161.06020	2.4
165.12753	1.7
175.14821	53.4
176.15167	2.0
185.99774	1.3
193.08568	1.3
193.12218	2.3
193.15895	68.8
194.16115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02393	0.3
52.78746	0.3
53.03938	0.4
63.02377	0.7
65.03944	1.2
69.38912	0.8
69.39320	1.3
78.04700	1.4
79.05486	0.6
81.91964	0.3
89.03914	28.8
90.04237	0.7
91.05482	3.0
93.03406	1.8
93.07050	0.7
95.04958	0.7
97.06529	0.3
103.05468	1.2
106.04175	2.5
107.04949	1.0
107.08582	0.4
111.04438	1.3
117.03374	57.2
118.03693	1.3
119.04957	0.5
121.06505	1.1
125.06007	2.4
131.96120	0.4
134.03624	8.9
135.04416	4.8
135.08073	0.4
145.02838	90.5
146.03192	2.5
147.04408	0.5
149.05974	24.2
153.05447	4.2
162.03134	2.3
163.03902	9.2
177.05458	100.0
178.05775	2.9
186.05571	0.6
195.06387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03951	1.1
55.05505	1.0
56.04998	0.7
63.02378	0.9
65.03938	3.5
67.05518	1.2
68.99801	0.6
69.03450	0.6
69.07065	1.3
70.06594	0.9
71.28542	0.6
71.28965	0.9
71.88158	0.6
78.04697	1.1
79.05490	2.3
81.07040	1.3
83.04980	0.6
83.58921	0.5
84.08138	2.7
89.03916	27.5
90.92277	0.6
91.05476	5.2
93.03400	3.6
93.07039	3.0
95.04961	1.9
95.08625	1.2
97.02893	1.5
97.06512	0.6
98.97646	0.7
103.05447	1.5
105.03369	0.7
105.07037	1.0
106.04166	2.1
107.04945	2.4
107.08603	1.5
108.04482	1.0
110.03645	0.7
110.06046	0.9
111.04436	4.4
117.03376	51.6
118.03728	0.9
119.04931	1.6
119.08584	1.4
121.01076	0.8
121.02866	1.6
121.06504	1.7
121.10134	0.7
122.03674	0.6
123.04427	0.6
124.05194	0.6
125.05996	6.2
130.96268	0.8
131.96159	1.7
133.02817	0.7
133.50937	0.5
134.03651	8.1
135.03474	1.1
135.04430	8.4
135.07980	0.7
135.11694	0.9
136.03923	1.0
136.07581	1.6
137.05949	1.4
139.03922	1.8
145.02844	94.5
146.03186	2.3
148.97401	0.9
149.02383	3.2
149.05974	24.7
149.09624	2.1
149.97198	2.1
151.03938	0.7
153.05470	14.4
154.97722	0.7
162.03107	2.3
163.03900	11.5
164.04214	0.6
167.03433	2.0
172.98802	1.0
177.05466	100.0
178.03537	0.6
178.04872	1.7
178.05978	1.1
180.53214	0.6
186.05502	1.9
195.01089	1.8
195.02875	7.2
195.06551	1.3
195.10146	1.5
195.13747	0.7
195.15730	0.7
196.05934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.00307	0.5
57.14322	0.4
62.01589	0.6
63.02374	1.1
70.44191	1.0
70.44527	0.9
78.04722	1.6
78.68073	0.5
79.05506	1.0
84.85725	0.5
89.03918	29.2
90.04258	0.7
91.05492	3.1
93.03367	0.5
93.07037	0.8
103.05470	1.3
106.04168	2.9
107.04971	0.9
117.03378	55.7
118.03722	1.5
121.06516	0.8
124.05153	0.7
125.05951	0.7
134.03647	9.1
135.04427	5.9
139.79620	0.5
145.02847	88.0
146.03186	2.1
149.05981	21.3
153.05432	0.8
162.03110	1.9
163.03905	7.9
177.05466	100.0
178.05792	3.2
186.05556	0.6
195.06541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.60900	0.6
58.52467	0.5
63.02363	0.6
64.26910	0.5
66.84602	0.6
69.37460	1.0
69.37856	3.1
78.04711	0.9
79.05492	0.8
89.03918	26.5
91.05493	2.8
95.04968	0.6
99.47794	0.5
103.05478	1.6
105.04493	0.6
106.04175	2.3
106.68856	0.5
111.04459	0.8
111.94996	0.5
117.03381	50.8
118.03697	1.3
119.04913	0.9
121.06469	1.6
125.05992	1.0
127.54951	0.6
133.06580	0.5
134.03630	6.8
135.04436	5.2
136.07521	0.7
145.02844	91.0
146.03186	2.9
149.05988	21.4
150.06320	0.7
162.03110	2.2
163.03906	8.1
177.05469	100.0
178.05786	2.2
186.05556	0.7
195.06467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03925	0.4
57.59602	0.5
63.02381	0.6
65.03934	1.5
69.42734	2.8
78.04698	1.5
79.05496	0.6
82.25156	0.5
89.03915	28.3
90.04225	0.7
91.05476	3.0
91.52094	0.6
92.57523	0.5
93.03400	2.2
93.07128	0.6
96.36304	0.6
98.22688	1.1
102.21182	0.5
103.05471	0.8
106.04179	2.1
109.33017	0.5
111.04443	1.1
117.03375	53.9
118.03713	1.5
119.04909	0.9
121.06506	1.0
124.97916	0.6
125.05984	1.8
134.03627	8.8
135.04422	5.3
136.42615	0.5
138.20245	0.5
145.02841	91.5
146.03122	2.5
147.04272	0.5
149.05974	22.3
150.06281	0.9
153.05513	3.2
162.03149	2.1
163.03899	7.3
177.05461	100.0
178.05779	3.3
185.83243	0.6
186.05531	0.8
195.06523	0.7
197.54982	0.5
200.27133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03949	3.6
53.81108	1.1
55.01867	4.1
55.05515	16.3
57.03433	4.5
57.07071	1.1
65.03936	3.5
67.05506	58.9
68.05844	1.5
69.03424	2.9
69.07070	19.9
69.07429	5.3
69.07856	4.8
71.01346	2.2
71.04997	6.5
73.02887	1.1
74.23047	1.0
79.05492	42.9
81.03418	18.3
81.07059	100.0
83.04990	12.0
83.08618	11.0
84.08154	1.3
85.02913	1.7
85.06551	3.4
86.92051	1.0
89.03918	2.9
91.05482	43.0
92.05788	1.6
93.07045	59.6
94.07375	1.8
95.04987	5.9
95.08610	41.9
97.06541	13.7
99.08075	1.7
100.15675	1.1
105.04512	1.1
105.07038	16.1
107.04954	4.4
107.08602	33.0
109.06519	4.9
109.10145	5.1
111.08096	5.5
117.03377	6.4
117.07025	16.7
119.08590	3.5
121.06512	8.6
121.10129	9.3
123.08054	1.3
123.11703	2.5
125.05990	1.4
125.09692	1.2
129.06984	1.4
131.08569	13.1
133.10130	29.3
134.03635	1.2
135.04416	1.7
135.08083	6.4
135.11694	36.8
136.12018	1.5
137.09604	1.8
139.07561	1.1
141.71974	1.2
141.74124	1.1
144.09341	1.6
145.02831	10.9
148.97401	2.5
149.05984	3.5
149.09628	2.5
149.13254	19.8
149.97235	1.9
150.05463	1.2
151.11157	3.9
154.06259	2.6
157.95233	1.0
159.11699	19.4
161.82915	0.9
163.03886	1.4
165.07153	1.2
167.07115	1.8
167.08540	1.2
169.30887	1.1
171.98985	1.5
177.05478	11.4
177.12740	12.2
195.08131	1.9
195.11859	2.4
195.13788	21.3
195.15514	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03955	5.5
55.01883	4.6
55.05516	16.9
56.96567	1.7
57.03431	3.4
57.07058	2.0
57.27868	1.6
65.03961	2.4
67.05506	58.8
68.96329	1.8
69.07063	18.4
69.07358	1.5
71.05004	6.0
73.31293	1.5
79.05490	41.8
81.03422	12.5
81.07056	100.0
83.04977	13.1
83.05420	1.7
83.08611	11.7
85.06562	5.0
91.05482	43.0
93.07045	60.8
95.04984	7.5
95.08610	30.0
95.09167	2.4
97.06546	11.6
99.08099	2.0
100.02518	2.0
105.07029	13.4
105.07541	1.4
107.04965	3.8
107.08595	23.7
109.06536	3.7
109.10149	3.9
111.08096	5.6
117.07003	12.5
119.08595	3.7
121.06530	5.3
121.10152	7.1
123.08157	1.6
123.11747	3.9
130.96346	1.7
131.08569	13.0
133.10120	26.1
133.11040	1.8
134.08490	1.6
135.08060	3.7
135.11703	31.2
148.97385	4.6
149.13258	14.5
149.97188	3.5
151.11230	3.2
153.57326	1.5
153.95503	1.6
153.97914	2.5
159.11658	14.8
171.99013	3.0
177.12730	8.7
190.95322	2.7
195.12004	2.1
195.13841	19.6
195.15633	3.7
196.14348	1.8
196.16965	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02376	0.7
53.03718	0.5
53.03944	3.9
55.01874	5.1
55.05511	19.0
56.63450	0.5
57.03440	4.5
57.07077	1.4
59.05003	0.6
65.03946	3.3
67.05505	61.7
68.05842	0.7
69.03423	2.2
69.07069	18.0
70.38584	1.0
70.38927	1.3
71.01350	2.0
71.04995	6.1
71.08638	0.8
73.02907	1.1
73.37657	0.5
77.03914	0.7
79.05493	46.1
80.05827	0.6
81.03419	13.9
81.07056	100.0
82.07364	1.3
83.04982	12.4
83.08616	10.7
85.06545	3.6
91.05480	43.5
92.05798	0.7
93.07042	63.7
94.07362	0.9
95.04975	6.4
95.08605	30.6
97.06528	10.8
97.10168	1.9
99.04450	0.7
99.08092	1.7
105.04510	1.1
105.07028	13.9
107.04971	2.0
107.08592	26.3
109.06507	3.3
109.10139	3.4
111.08084	5.6
113.09660	1.1
115.05504	0.8
116.02039	0.5
116.06171	0.5
117.03368	1.0
117.07015	12.5
119.08595	2.3
121.06503	6.0
121.10133	7.6
123.08071	1.0
123.11678	3.1
125.09628	0.9
129.07022	1.3
131.08571	13.8
131.96172	0.6
133.10129	25.5
134.10489	0.6
135.08081	4.3
135.11693	31.3
136.12019	0.8
145.02849	1.0
147.11687	0.7
149.09637	1.3
149.13252	14.6
151.11160	4.1
153.09181	0.8
157.10141	0.8
159.11682	14.7
177.05443	0.8
177.12753	8.1
195.12056	0.6
195.13811	15.4
195.15634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0445
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
51.02382	0.9
51.46154	0.3
53.03943	1.5
55.01869	0.8
55.05489	0.5
56.05040	0.5
56.96558	0.6
65.21490	0.4
67.05488	2.2
69.07066	1.6
69.83984	1.5
70.06590	0.5
70.95854	1.5
72.93792	0.7
76.33869	0.4
77.03927	4.6
79.05489	1.0
81.03419	1.1
83.08595	0.7
84.04501	19.1
86.06070	0.4
86.09703	10.3
89.03915	1.0
95.04964	4.3
96.04478	0.5
98.97571	1.1
105.03387	18.6
105.04536	1.1
107.04943	2.2
107.08551	0.5
109.02874	3.0
111.98474	1.0
113.07102	0.6
115.46896	0.4
123.04417	8.6
127.03915	1.9
129.06613	1.6
132.95831	1.6
133.02846	100.0
134.03210	2.8
135.04407	2.2
146.42357	0.4
150.96877	1.9
151.03899	18.2
152.04300	0.8
152.10687	0.8
153.05461	0.8
155.03363	7.1
155.97450	0.7
161.02335	22.3
162.02592	0.5
173.98486	1.1
179.03384	77.9
180.03723	1.9
191.67540	0.4
192.45464	0.4
197.04436	0.6
197.09418	0.4
197.12918	1.0
198.18524	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03929	2.1
54.31710	1.0
55.01865	2.2
55.05499	5.5
57.03444	1.2
57.07067	3.7
59.04996	2.8
67.05508	8.2
69.03423	3.0
69.07066	5.3
69.38241	2.6
69.38641	6.3
70.06579	1.9
70.95855	4.8
71.04979	1.1
72.93774	3.7
75.27566	1.0
79.05506	6.2
81.07069	9.9
81.90886	1.0
83.04986	2.5
83.08608	4.2
84.04505	7.5
84.08145	1.5
85.06532	2.3
86.06035	1.1
86.09695	2.4
88.96913	1.3
89.98810	1.2
91.04900	1.2
91.05477	21.6
93.07038	27.5
95.04968	9.5
95.08583	4.6
97.06529	2.9
97.10168	2.0
99.04435	1.9
100.07629	1.0
103.05457	1.4
105.03408	1.4
105.07029	31.7
107.08593	70.4
109.02869	1.7
109.06509	6.3
109.10164	6.6
109.36201	1.2
111.08102	1.8
111.98455	4.7
118.07807	1.8
119.04921	2.1
119.08598	10.0
120.28058	1.0
121.06503	6.6
121.10165	2.0
123.04404	4.1
123.08073	2.0
123.11692	4.2
125.05986	6.3
127.03896	3.1
129.41202	1.2
129.99519	2.1
131.08571	3.7
132.95856	7.5
133.06464	1.7
133.10127	71.7
134.10442	1.6
135.08055	1.3
135.11690	54.3
136.12018	2.6
137.05975	8.6
137.09607	6.0
140.21147	1.1
141.57211	1.1
143.08524	1.8
146.07268	2.0
150.96877	11.9
151.11107	6.1
155.03348	1.9
155.97397	4.1
161.09615	33.9
162.09860	1.3
173.98497	9.2
179.10666	100.0
180.11049	1.8
197.11711	61.0
198.12036	2.4
198.18524	68.3
216.16917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05513	7.0
57.03422	1.3
57.07084	3.9
59.04990	1.3
59.47305	0.7
61.02928	1.9
65.03947	1.2
65.52925	0.8
67.05507	6.3
69.03437	2.9
69.07067	4.5
69.36672	5.5
70.06589	1.1
70.95878	6.9
71.01349	0.8
71.04996	1.9
71.08628	0.7
72.93799	3.6
73.02933	1.3
77.03917	0.7
79.05491	10.1
81.07059	12.2
83.04951	1.0
83.08621	2.8
84.08128	0.7
86.06082	0.8
88.99194	0.8
91.05482	23.2
93.07046	19.8
95.04977	3.3
95.08603	6.2
97.06532	3.2
97.10171	1.6
98.82686	1.0
100.07609	0.9
105.07036	33.5
107.08598	100.0
107.86185	0.7
108.08926	2.1
109.06506	6.1
109.10174	5.1
111.08041	1.1
111.98516	3.8
113.06031	1.0
115.05448	1.3
117.07053	1.2
119.04942	2.2
119.06009	0.8
119.08582	16.4
121.06510	2.7
121.10142	18.7
123.04438	1.1
123.08078	3.1
123.11701	2.8
125.06004	1.0
125.09632	1.6
128.06239	1.5
129.99545	1.5
131.08574	3.8
132.05739	1.0
132.95840	8.3
133.10135	62.5
134.10457	1.5
135.11716	3.8
137.06012	3.3
137.07967	0.9
137.09605	4.6
139.07561	3.9
141.07025	2.9
143.08575	2.8
149.09637	9.0
150.96899	12.1
151.07590	2.1
151.11182	18.4
151.97122	1.1
153.06989	1.5
154.07759	4.0
155.08568	2.3
155.97469	5.7
161.09621	16.4
162.09953	0.9
165.35670	0.7
167.08591	1.4
167.10687	25.7
167.12053	1.7
168.11009	1.1
169.10101	3.5
173.98505	9.6
178.07843	1.6
179.08589	3.7
179.10680	41.1
180.06551	2.7
181.06531	2.3
182.07300	3.1
182.10901	1.1
197.09694	9.7
197.11754	46.2
198.12131	1.2
198.18539	68.8
206.26930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01870	3.5
55.05513	7.0
57.03422	1.3
57.07084	3.9
59.04990	1.3
59.47305	0.7
61.02928	1.9
65.03947	1.2
65.52925	0.8
67.05507	6.3
69.03437	2.9
69.07067	4.5
69.36672	5.5
70.06589	1.1
70.95878	6.9
71.01349	0.8
71.04996	1.9
71.08628	0.7
72.93799	3.6
73.02933	1.3
77.03917	0.7
79.05491	10.1
81.07059	12.2
83.04951	1.0
83.08621	2.8
84.08128	0.7
86.06082	0.8
88.99194	0.8
91.05482	23.2
93.07046	19.8
95.04977	3.3
95.08603	6.2
97.06532	3.2
97.10171	1.6
98.82686	1.0
100.07609	0.9
105.07036	33.5
107.08598	100.0
107.86185	0.7
108.08926	2.1
109.06506	6.1
109.10174	5.1
111.08041	1.1
111.98516	3.8
113.06031	1.0
115.05448	1.3
117.07053	1.2
119.04942	2.2
119.06009	0.8
119.08582	16.4
121.06510	2.7
121.10142	18.7
123.04438	1.1
123.08078	3.1
123.11701	2.8
125.06004	1.0
125.09632	1.6
128.06239	1.5
129.99545	1.5
131.08574	3.8
132.05739	1.0
132.95840	8.3
133.10135	62.5
134.10457	1.5
135.11716	3.8
137.06012	3.3
137.07967	0.9
137.09605	4.6
139.07561	3.9
141.07025	2.9
143.08575	2.8
149.09637	9.0
150.96899	12.1
151.07590	2.1
151.11182	18.4
151.97122	1.1
153.06989	1.5
154.07759	4.0
155.08568	2.3
155.97469	5.7
161.09621	16.4
162.09953	0.9
165.35670	0.7
167.08591	1.4
167.10687	25.7
167.12053	1.7
168.11009	1.1
169.10101	3.5
173.98505	9.6
178.07843	1.6
179.08589	3.7
179.10680	41.1
180.06551	2.7
181.06531	2.3
182.07300	3.1
182.10901	1.1
197.09694	9.7
197.11754	46.2
198.12131	1.2
198.18539	68.8
206.26930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01872	0.9
55.05510	7.1
56.88599	0.5
56.96560	1.3
57.03439	0.6
57.07074	3.6
58.99858	0.6
60.08152	1.8
61.02927	0.7
64.17731	0.5
65.26849	0.5
67.05499	1.3
68.05012	1.1
68.30609	0.4
69.03423	1.4
69.07066	4.9
70.06594	8.4
70.26411	1.6
71.04980	0.5
71.08627	1.0
72.04498	0.6
72.08168	1.2
73.02905	0.7
74.09725	0.9
79.05485	1.4
81.03408	0.5
81.07041	1.5
82.06583	1.4
83.04965	0.6
83.08624	4.7
84.04500	0.5
85.02910	2.8
86.06068	0.9
87.09389	0.5
93.07054	1.4
95.06088	8.6
95.08589	1.5
96.08144	0.5
97.06541	1.3
97.10167	2.4
98.97570	0.9
99.04449	1.3
100.02473	1.6
100.07613	1.8
101.00876	1.4
102.00978	1.0
103.02459	0.7
107.08601	1.1
110.02442	0.6
111.04406	0.9
114.09181	0.6
118.03504	1.9
119.01924	5.1
120.02017	2.9
121.01659	1.0
121.03555	0.7
121.10162	0.6
127.03938	0.8
131.01900	1.2
131.05559	0.7
133.03447	1.3
137.02946	1.4
138.03113	0.7
138.05493	0.6
138.06857	0.4
139.02696	0.4
144.05072	0.8
145.04918	0.6
147.01369	0.7
149.02994	0.7
149.06595	0.6
149.63924	0.5
152.07022	1.3
154.13391	1.7
156.97499	1.9
157.03441	0.5
170.02988	1.4
170.06580	0.9
173.02933	0.7
174.98520	2.1
175.02742	1.2
175.04520	1.4
193.00163	0.6
198.06139	1.4
198.07712	0.6
198.18532	100.0
199.18912	2.6
216.07214	1.4
216.99692	0.9
217.05533	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13148	0.9
53.03937	1.3
55.01862	0.9
55.05511	24.0
56.05856	0.9
56.07045	1.0
57.07073	11.2
57.93568	1.3
67.05513	5.6
69.07072	4.7
69.18353	2.0
69.18763	5.7
70.06608	1.4
70.07392	2.2
71.08655	1.3
72.04519	1.9
72.61356	1.0
74.09723	15.3
75.94607	1.1
79.05503	4.7
81.07069	5.7
83.04993	8.8
83.08614	3.0
84.08939	1.2
85.06567	5.8
86.06059	1.3
86.09712	4.8
91.05486	5.4
93.07056	8.3
95.04958	1.6
95.08607	9.3
96.08929	1.2
97.06525	5.9
98.97598	9.3
100.07621	4.5
105.07042	3.9
107.08591	18.2
108.08963	1.4
109.06525	3.6
109.10130	2.4
111.04444	100.0
111.08099	3.9
112.04755	2.6
113.05979	2.0
116.06402	1.1
116.97228	12.0
116.98597	7.2
117.07004	1.5
119.08601	1.2
121.06504	2.7
121.07648	2.4
121.10204	1.5
122.07257	1.3
123.08044	1.4
123.70411	1.1
125.05991	26.2
127.07558	2.7
128.06223	1.5
129.07021	1.6
130.07756	1.8
131.99561	3.0
133.07594	0.9
134.99669	3.6
135.08087	16.8
135.09158	3.1
135.11699	17.9
137.07143	1.2
137.13242	1.2
139.07568	2.7
142.07695	1.4
143.08551	3.2
145.10120	15.6
148.96184	1.1
152.96941	4.5
153.12677	5.0
157.10159	3.7
158.01353	1.2
163.08661	4.0
163.11182	18.2
163.12495	1.4
164.11514	1.2
171.11789	1.3
175.98546	8.0
180.14160	1.0
181.09727	2.9
181.12230	20.6
181.13626	1.6
182.12766	1.0
199.10875	4.9
199.15073	5.1
199.18896	63.9
200.09175	1.4
200.19194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.2
56.05038	1.1
58.02966	0.7
60.04519	0.8
67.05500	1.0
67.40030	0.4
69.07066	7.7
70.02950	4.7
70.06587	1.4
72.04507	0.8
72.08125	0.5
73.02917	25.7
73.04022	0.6
79.05498	0.6
81.07052	1.4
84.08129	2.1
85.04024	6.1
86.02427	2.5
86.09704	100.0
87.10030	1.4
88.03989	8.8
93.30573	0.4
95.08591	0.5
96.04500	3.1
96.08130	21.3
98.02415	21.8
99.00802	1.1
100.03976	22.8
110.09682	3.6
112.11223	0.7
113.10770	12.1
114.05509	1.8
115.74091	0.5
117.07057	0.6
118.96784	0.8
119.08641	0.4
124.07598	0.9
127.05065	1.3
128.03473	0.7
131.08560	0.6
138.09137	14.1
141.06616	0.6
141.10226	28.6
142.04987	1.0
142.08636	5.3
142.10661	0.6
145.10121	0.8
155.11790	1.5
156.10201	32.9
157.10466	0.7
159.11703	0.5
166.08571	0.8
173.13092	0.8
183.11293	5.1
184.09676	6.1
201.05368	0.9
201.09344	0.7
201.12357	14.5
201.16391	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44720	4.2
55.05534	4.3
68.43636	4.8
69.43903	23.4
80.32433	4.5
82.01416	6.3
82.99868	4.7
98.22659	5.6
100.02511	9.6
101.00888	41.9
118.03510	5.1
119.01929	100.0
120.02032	14.8
124.02512	6.7
131.01859	7.6
133.03522	5.8
137.02950	28.5
138.03006	4.9
142.03511	38.4
143.03557	7.8
159.99922	5.2
160.04539	28.0
161.02972	24.1
161.04649	21.4
175.04532	10.2
178.01088	20.2
178.05609	9.2
179.00719	16.1
179.04015	25.1
179.05611	9.3
197.99075	7.2
220.02097	51.2
221.01825	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	202.0863
Annotation	Quinoline-2-methanol acetate
Peak:m/z	Relative Intensity
50.34685	0.2
50.97969	0.2
55.01863	0.5
70.06586	0.7
71.30374	0.3
79.05501	0.2
84.08127	0.4
86.06087	0.3
86.09695	0.9
91.05468	1.1
105.06983	0.5
107.68060	0.2
115.05447	4.0
116.06239	0.3
117.05747	2.9
118.06578	0.2
119.08567	0.4
124.40142	0.2
129.06973	0.4
129.07881	0.2
130.06519	1.1
131.08511	0.3
132.08072	2.1
142.06514	5.3
142.07623	0.3
143.07297	11.7
144.04436	5.1
144.07680	0.4
145.05222	11.0
146.05710	0.2
147.08028	0.8
148.33801	0.2
158.09692	1.1
159.06834	0.3
160.07570	100.0
161.07930	2.5
170.06010	10.2
171.06369	0.3
174.09106	0.6
175.07632	0.2
188.06996	0.3
202.08618	9.6
203.08821	0.4
203.10622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40643	1.0
52.76428	1.0
55.05521	8.0
56.05037	16.6
56.86533	1.0
57.03472	1.1
57.98800	1.5
58.99590	29.1
67.05484	1.0
68.05029	2.0
69.57881	4.3
70.06602	3.6
72.08142	1.4
74.00670	1.9
76.02232	7.5
79.05499	25.9
79.05962	1.3
80.05023	1.9
81.03445	1.1
81.07063	20.3
82.06589	10.1
84.08145	1.5
85.01131	100.0
86.00658	20.0
86.99064	16.6
87.10079	1.1
88.02212	3.1
88.03991	2.9
88.29763	1.0
95.04990	1.9
96.08156	1.7
97.01127	1.3
97.08918	7.0
98.09697	30.6
98.22558	1.0
99.91517	1.0
105.00104	7.1
105.04521	1.1
105.07021	1.5
108.80544	1.0
110.09686	1.6
112.11252	1.4
113.04234	36.0
114.09190	1.4
120.01154	2.3
122.09676	2.7
131.01692	1.3
131.34558	1.1
132.01151	11.7
139.05772	1.7
156.08409	7.9
160.07637	2.7
174.05585	1.0
185.06296	3.7
202.08904	12.2
202.10533	1.4
203.08203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1801
Annotation	11-Aminoundecanoic acid
Peak:m/z	Relative Intensity
55.01851	1.0
55.05508	3.7
56.04752	0.6
56.05021	2.6
56.96550	1.1
57.03207	0.8
57.03441	11.0
58.06605	11.4
59.04976	2.5
60.04502	1.1
60.05634	2.1
61.02904	0.8
67.05492	2.5
67.20610	0.6
69.07066	7.7
70.02953	1.0
70.06591	17.6
71.04983	0.9
71.06931	0.8
71.07355	1.0
71.28870	0.8
72.04516	1.2
72.08157	52.4
73.02901	0.9
73.06554	1.5
73.08463	0.9
74.06044	1.2
79.05479	5.3
81.03405	1.4
81.07059	32.1
82.34825	0.7
83.04956	1.8
84.04501	1.4
84.08144	15.6
85.06520	1.2
85.08464	0.9
85.08920	7.9
86.09705	49.2
87.09998	1.8
91.05494	2.1
93.07040	6.7
94.06598	0.7
95.04939	1.1
95.08599	9.0
96.08134	1.8
96.22261	0.7
97.06540	1.1
97.10169	1.3
98.02427	1.2
98.06022	1.0
98.09695	1.3
98.97583	1.0
99.08080	2.9
100.03985	1.0
100.07590	1.6
103.43325	0.8
105.06982	1.9
107.08607	4.5
110.09653	0.7
112.08719	0.8
112.11234	2.5
113.06008	0.8
116.03451	0.8
116.07079	1.7
119.01929	1.5
121.10143	11.2
124.07615	3.8
124.11253	1.0
125.02367	2.1
126.12804	0.7
129.06989	1.7
129.10204	1.6
129.13881	1.6
130.06491	0.8
132.10207	7.0
133.02928	0.7
139.11186	15.1
142.08649	1.8
147.04527	1.0
148.76613	0.8
149.09593	2.3
156.10155	1.1
157.10658	1.4
157.13368	1.3
161.02943	1.1
166.08678	0.7
166.12279	1.9
175.03893	1.5
175.07516	1.4
184.09673	1.3
184.13399	2.2
184.16965	100.0
185.05989	0.9
185.17354	3.5
202.05124	0.9
202.08710	1.8
202.10727	3.8
202.14217	2.3
202.18018	95.1
203.03526	1.4
203.05261	6.6
203.18375	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	202.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.8
56.96574	1.8
60.04512	1.8
71.27698	0.9
82.01445	11.4
84.08138	7.7
91.95476	1.1
100.01852	2.2
100.02486	30.3
100.03140	1.7
101.00883	4.6
102.05573	1.6
103.00585	1.1
112.11269	1.4
114.05546	3.5
118.03521	12.5
119.01932	12.7
120.95401	4.3
133.23482	1.1
137.02968	2.7
138.96419	20.1
148.96008	1.7
152.25148	1.4
156.97487	100.0
157.97560	4.1
161.02933	3.9
161.98035	7.6
161.99229	1.3
174.98550	66.9
175.04558	2.1
175.98671	2.5
179.04007	1.1
179.99118	93.6
180.99178	3.6
198.00331	62.2
198.98492	1.2
199.00235	3.0
203.00642	1.6
203.05270	2.2
203.10318	1.3
221.01727	2.3
222.02916	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	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.7
59.05016	1.6
69.04240	14.0
69.07072	1.9
70.06601	8.7
71.06078	1.6
72.08144	2.2
85.02885	1.9
86.09708	25.0
101.00875	4.7
110.97457	1.7
112.78800	1.4
116.07084	2.2
119.01911	4.3
133.09550	1.7
135.38954	1.6
143.01886	6.0
158.12878	1.7
161.02980	10.4
203.05269	100.0
203.15021	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	203.1392
Annotation	L-Leucyl-L- Alanine
Peak:m/z	Relative Intensity
55.01883	0.2
55.32000	0.2
56.50296	0.2
56.96572	0.2
57.00950	0.2
69.07067	1.0
69.45140	0.6
69.45547	0.9
70.06591	0.9
74.82832	0.2
82.99860	0.3
84.08147	0.7
86.09709	100.0
87.10054	1.3
88.08754	0.3
90.05569	0.6
98.97596	0.4
101.00887	1.6
116.07072	0.3
119.01922	3.4
121.01680	0.6
132.10220	0.7
133.03561	0.2
137.02922	0.5
143.01913	1.7
157.13318	0.4
161.02945	4.2
169.22266	0.2
203.05345	0.7
203.13994	1.1
204.15823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.02625	1.0
56.96576	7.5
58.06594	1.1
66.27968	0.8
70.06597	25.9
70.44636	2.2
71.06114	6.3
72.04494	0.7
72.08160	3.9
73.99212	0.9
84.08150	1.9
85.08951	0.8
86.09711	100.0
87.10063	1.9
88.08767	8.4
89.12232	0.8
92.34736	0.8
95.08616	2.6
96.73608	0.8
100.02513	0.8
112.11243	3.7
115.08711	1.6
116.07101	8.8
119.01920	1.8
123.08046	0.7
129.13885	2.1
132.10208	78.5
157.13362	10.3
158.09293	1.4
158.12880	7.0
161.02994	1.7
172.10832	0.8
179.97914	0.9
186.14931	2.4
203.05334	7.6
203.08476	1.3
203.11057	0.8
203.15208	14.5
203.17961	1.4
204.16019	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	203.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.05046	0.6
57.03437	1.7
58.06619	0.6
58.99861	1.0
60.04521	0.9
61.02921	0.7
68.98307	0.6
69.03423	1.0
69.07094	0.5
69.98674	2.1
70.06593	66.1
70.99859	1.3
71.04998	1.9
71.06116	15.9
71.06931	1.2
72.08157	5.2
73.02915	2.4
74.06082	0.6
82.99831	4.2
84.04505	1.3
84.08147	2.3
85.02892	1.5
86.09712	5.5
86.99340	0.8
88.08752	22.5
88.37936	0.5
89.00887	0.8
94.93021	1.2
95.08617	1.9
97.02906	1.3
98.06046	0.6
98.97554	0.6
99.04456	0.6
100.02469	0.7
101.00880	43.9
102.00941	2.8
103.00636	1.8
105.00371	0.7
110.01404	1.4
112.08722	1.1
112.11236	1.0
113.00865	1.9
114.05522	0.8
115.02452	0.6
115.08678	3.8
116.01464	0.7
116.07088	26.3
117.02151	0.7
119.01922	71.4
120.01989	4.1
121.01656	5.2
121.02402	0.9
122.01346	1.4
124.02487	0.8
125.01953	0.6
128.01291	0.6
129.13849	0.7
130.06566	0.9
131.01897	8.4
132.10207	0.7
133.01651	1.9
133.09726	1.9
137.01906	2.3
137.02963	8.7
137.51918	0.7
138.03165	0.6
138.05515	0.9
138.96413	0.9
139.02686	1.6
142.03510	1.1
143.01900	31.0
144.02002	2.5
144.03271	0.6
144.06622	0.6
145.03487	1.4
145.04861	0.5
147.75914	0.5
149.02925	0.8
151.02647	0.7
155.01917	2.1
156.97511	2.1
157.03470	1.9
157.07614	1.7
158.09229	2.6
158.12891	13.7
161.02954	100.0
162.03104	6.7
162.04341	0.8
172.10835	2.7
173.02934	3.8
174.98564	2.5
175.02701	1.6
175.04416	1.3
179.04018	3.6
179.99049	2.4
184.04572	1.2
185.02942	1.7
186.14818	2.9
193.03818	0.8
198.00163	1.6
203.02208	1.8
203.03612	0.7
203.05386	6.3
203.08142	1.1
203.15034	32.7
204.13499	0.8
204.15912	3.7
221.03207	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01632	0.6
55.01875	6.1
55.05513	33.8
56.05029	1.8
56.05852	0.6
57.07074	5.4
57.98796	2.4
58.65664	0.4
58.99588	71.5
59.99915	0.6
61.01152	9.0
62.00678	0.7
65.03936	0.8
67.05521	0.9
68.05036	0.9
69.03418	0.5
69.07063	3.2
70.02939	0.9
70.06243	0.4
70.06583	2.5
70.81087	0.5
70.81406	0.6
73.01144	18.5
73.02921	0.8
74.00662	5.0
76.02230	19.8
79.05496	10.0
81.03455	0.4
81.07058	61.6
82.06599	1.0
82.07388	1.1
83.08621	15.0
84.04492	0.7
85.01122	4.5
86.99055	39.4
87.02696	3.9
88.02223	5.3
88.03990	4.4
90.03776	1.0
91.05494	0.7
93.07056	0.5
95.08597	1.6
96.08093	0.6
98.09692	0.9
99.02694	4.8
100.11257	100.0
101.11582	2.0
105.00092	18.3
105.07044	0.6
107.08601	2.4
110.09700	0.5
112.11245	2.4
113.04227	1.1
115.05021	0.9
115.05798	17.3
115.06618	0.9
116.05323	10.2
116.06123	0.9
120.01154	2.2
121.02906	0.6
124.11246	2.4
132.08429	0.5
141.07320	8.0
149.02350	5.1
158.09993	35.3
159.10260	0.7
159.83170	0.4
187.07878	66.5
188.08189	2.0
204.10542	29.8
204.19614	0.5
205.10817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
55.05500	1.5
56.96555	0.5
57.03433	2.8
58.06320	0.7
58.06598	8.0
67.05508	5.7
69.07062	0.8
69.68413	2.2
70.06593	4.6
71.04972	0.5
71.06931	0.5
71.07366	0.7
72.04514	2.4
72.07761	1.0
72.08156	20.2
79.05475	0.7
80.47701	0.5
81.07053	5.9
83.04953	0.6
84.08146	7.3
85.02924	0.9
85.08922	8.1
86.09695	2.1
90.65104	0.5
93.07072	1.1
95.08606	47.4
95.48956	0.4
96.08921	1.0
98.09622	0.6
99.08057	1.2
113.09621	2.0
123.08074	6.0
124.11255	0.6
141.09103	1.8
149.02330	3.5
186.14893	80.5
187.15234	3.1
204.15952	100.0
205.16264	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	204.1596
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
55.01872	1.5
55.05513	10.6
57.03449	5.7
57.07067	2.2
58.06610	5.5
62.78652	0.9
67.05505	26.3
69.03432	2.5
69.07074	26.1
69.97046	3.9
69.97401	1.1
70.06597	39.1
71.05004	5.3
71.05331	1.1
72.04513	1.7
73.56002	1.1
75.80618	1.1
79.05496	3.8
81.07062	38.0
82.06573	2.9
83.04977	1.1
83.08620	11.7
84.04510	1.3
84.08154	3.0
85.06541	3.0
91.05470	7.0
93.07027	5.7
94.06567	2.1
95.04956	2.5
95.08585	5.7
96.08145	1.3
98.09653	1.2
98.23338	1.2
100.07599	1.4
105.07027	12.5
107.08598	12.8
108.08147	1.4
109.06512	3.2
109.10158	26.8
111.08091	2.3
112.07610	1.5
123.11714	33.1
126.09176	2.5
127.07594	1.5
133.10130	27.6
140.14339	1.3
150.12781	4.7
151.11191	24.6
158.56067	1.1
161.40843	1.0
168.13846	100.0
169.12250	7.8
169.14182	4.1
170.40955	1.0
174.18877	1.1
186.14899	95.7
187.13596	1.2
187.15266	3.4
190.92708	1.2
204.15970	24.0
212.60966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0495
Annotation	2-Methoxyjuglone
Peak:m/z	Relative Intensity
53.03950	1.0
55.01872	1.3
55.05502	0.6
57.07092	2.7
60.21275	0.6
63.03923	0.5
65.03941	4.4
67.05499	1.1
69.03428	1.0
69.71048	0.5
69.89664	2.6
72.42277	0.5
78.95277	0.5
79.05492	6.5
81.03436	1.1
81.07047	1.4
85.02894	0.7
91.05479	61.4
92.05811	1.9
93.03418	1.3
93.07048	1.7
95.04984	1.6
95.08596	0.6
103.05466	1.3
105.04554	0.7
105.07040	3.2
107.04960	3.3
107.08625	1.6
109.02870	0.7
115.05443	0.9
117.06995	1.3
119.08590	1.8
121.02892	3.4
121.03809	0.6
121.06478	4.8
121.10178	0.9
123.22825	0.6
131.08571	2.1
132.62157	0.5
133.10094	0.7
135.04414	100.0
135.11668	1.2
136.04776	2.3
143.08609	0.7
145.06516	1.1
145.10149	4.8
149.02341	24.8
149.05974	3.1
149.09659	0.9
149.13268	1.1
150.41595	0.6
154.50177	0.5
159.04419	2.2
159.11647	1.9
161.09702	0.6
163.07552	1.0
177.05467	17.2
177.07025	1.2
177.09024	0.8
177.12737	0.8
187.11186	0.9
187.14825	0.6
190.09921	0.6
195.78142	0.5
205.04953	22.4
205.06905	1.1
205.10156	1.0
205.12213	4.0
205.14020	1.2
205.15831	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	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.00010	0.5
64.01131	0.5
69.57913	2.8
72.49105	0.5
74.02438	1.9
91.05498	2.1
96.49127	0.6
97.39236	0.5
98.22626	0.6
103.05513	0.7
104.90263	0.5
115.05437	3.5
117.05761	1.9
117.07012	3.8
118.06544	48.1
118.88146	0.6
119.06902	0.8
120.08085	3.7
130.06517	2.8
132.08092	12.3
142.06517	4.6
143.07306	6.4
144.04376	0.7
144.08089	23.7
145.08524	0.6
146.06006	100.0
147.06303	3.3
149.02333	1.9
159.09187	9.5
160.07574	1.2
170.06004	8.4
188.07062	74.9
189.07440	2.6
205.09828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02384	0.6
52.78483	0.3
53.03948	3.2
55.01868	0.9
55.05518	0.8
56.96555	0.6
57.07077	3.1
59.05006	0.4
59.08487	0.3
59.74346	0.3
65.03942	2.1
67.05515	0.7
67.10438	0.3
69.03436	0.8
69.07066	0.7
70.06569	0.4
70.79211	0.4
72.08161	1.6
77.03923	0.7
79.05499	1.2
79.32052	0.3
81.03426	0.8
81.07053	0.4
83.04984	0.6
85.06545	0.6
91.05486	16.9
93.07047	61.2
94.07378	1.2
95.04967	4.3
95.08617	0.7
97.02873	0.3
97.06520	0.3
103.05482	3.1
105.04526	2.2
105.07032	1.8
107.08590	1.2
111.04470	0.4
115.05457	1.0
117.06981	2.3
118.06562	0.9
119.08572	1.5
120.08160	0.4
121.02887	3.5
121.06509	100.0
122.06801	1.9
122.09564	0.3
127.07503	0.4
127.85264	0.3
129.07008	0.5
130.07773	0.5
131.04939	0.4
131.08597	1.1
133.10100	0.5
135.08049	0.8
135.11739	0.7
144.08229	0.4
144.09349	1.0
145.06505	1.9
145.10127	1.7
146.06018	1.4
147.08073	0.5
149.02344	25.0
149.13269	0.8
150.02719	0.5
159.11705	2.6
163.07530	0.9
163.11165	1.2
174.17754	0.3
175.11140	0.4
177.09116	0.9
177.12747	2.1
187.11171	0.8
187.15036	0.3
188.07066	1.0
189.12659	0.3
190.59026	0.3
205.08440	0.4
205.12233	12.2
205.15874	2.4
206.07973	0.4
206.12570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.26913	0.8
53.03937	3.9
55.01858	4.2
55.05510	4.7
57.03433	1.3
57.07064	4.0
65.03931	2.3
67.05511	8.0
69.03079	1.4
69.03427	15.0
69.07075	5.0
69.27975	3.5
69.28394	3.0
71.04999	2.5
72.08147	1.0
76.02946	0.8
79.05482	9.2
81.03412	1.8
81.07055	4.9
83.04974	4.0
85.02887	2.9
87.66356	1.0
91.05480	22.4
93.07038	19.9
95.04958	7.4
95.08601	14.5
97.02876	1.8
99.04438	2.6
103.05452	4.3
105.04521	1.2
105.07029	30.2
107.04949	1.9
107.08595	22.0
109.02901	1.1
109.06508	2.9
111.04453	4.9
115.05443	5.8
116.06226	2.0
117.07017	22.2
118.06554	5.7
119.08581	30.0
120.05730	1.2
120.08094	4.7
121.02926	1.0
121.06503	24.2
121.10136	11.7
123.04435	9.1
123.08069	1.4
127.90907	0.9
128.06206	3.5
129.06029	1.1
129.06999	18.4
130.06525	2.6
130.07770	4.2
131.04872	1.8
131.08562	28.7
132.08052	1.3
133.10120	11.9
134.07298	1.2
135.08055	10.3
135.11685	12.4
137.05943	4.5
141.06918	2.1
142.07806	2.7
143.08549	5.1
144.09331	35.5
145.06468	5.0
145.10118	9.4
146.06039	2.6
147.08090	7.0
147.11728	1.3
149.02322	13.9
149.05997	7.9
149.09607	2.8
149.13268	5.0
153.07050	1.1
154.07759	1.3
157.06471	4.1
157.10104	4.9
158.07243	2.7
159.04460	2.4
159.08057	3.1
159.11688	100.0
160.07556	2.4
160.08858	1.0
160.12044	3.9
161.05971	1.6
161.09576	8.7
162.10251	1.6
163.07513	5.5
163.11168	8.8
166.19267	0.9
169.10072	2.7
170.05954	1.6
172.08817	16.2
174.61240	1.1
175.07550	2.1
175.11157	1.8
176.08257	1.3
176.11935	1.3
177.09064	1.6
177.12721	13.3
178.05132	1.0
187.11177	24.3
188.07034	3.2
205.12231	51.4
206.08092	1.0
206.12576	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	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.60975	1.9
53.03939	6.4
55.01870	12.1
55.05514	5.3
57.03439	2.6
57.07052	3.5
59.04982	2.3
60.69687	1.6
62.72553	1.8
65.03947	2.2
67.05502	7.9
68.99774	4.0
69.03429	22.1
69.07059	6.7
69.09648	17.6
70.85555	1.7
70.96204	1.7
71.49198	1.7
74.04073	1.6
75.23074	1.6
77.03935	2.5
79.05489	13.9
81.03425	10.6
81.07047	5.9
83.04980	8.1
85.02899	8.9
91.05485	35.5
93.07050	25.4
95.04959	9.0
95.08603	3.5
97.02876	6.9
97.06533	2.2
98.22621	4.2
99.04463	3.5
103.05469	12.1
105.07030	28.0
107.04952	15.2
107.07938	2.6
107.08592	17.3
109.02876	2.7
109.06535	4.4
111.04432	1.9
115.05463	14.7
117.06213	2.2
117.07020	32.3
118.06538	2.4
118.07389	1.9
119.06075	2.3
119.08571	21.2
121.02895	5.4
121.06506	57.9
121.10134	8.5
123.08063	5.2
127.03907	4.7
128.06238	3.2
129.06995	11.3
130.07788	4.7
131.04887	10.1
131.08565	18.9
133.06503	4.1
133.10121	11.9
135.08046	27.5
135.11685	8.6
137.09607	4.0
142.07741	4.7
143.08574	6.4
144.09323	11.2
145.06482	28.3
145.10120	34.3
146.07109	2.0
147.08076	9.8
147.11659	2.7
149.02335	13.3
149.05983	57.7
149.09624	5.4
149.13271	2.3
151.07545	2.3
154.07837	3.8
155.06021	5.8
157.10092	8.4
159.08072	4.5
159.11702	44.0
160.12045	2.9
161.05920	3.3
161.09625	21.0
163.07535	6.3
163.11182	15.4
169.10126	3.0
172.08865	10.3
173.05933	11.4
174.10274	2.0
175.11185	30.8
177.12793	15.9
187.11160	22.2
188.07027	2.1
190.06102	1.9
205.12233	100.0
206.12604	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05502	1.3
57.07078	3.2
65.03932	2.0
65.15401	0.6
67.05502	3.0
69.07058	1.8
69.10863	6.2
71.04993	22.7
79.05485	2.9
80.04996	0.7
81.03398	0.7
81.07050	9.4
85.02908	0.8
85.06516	0.8
91.05480	8.0
93.03369	0.6
93.07037	10.3
95.04967	1.8
95.08601	14.5
97.06507	1.3
99.08081	1.7
105.07025	30.2
106.07331	0.8
107.08595	9.5
109.06543	1.9
109.10154	2.2
111.08080	1.0
113.09644	12.8
117.07003	2.5
119.08579	10.9
121.02849	3.0
121.06518	1.3
121.10133	6.6
130.07747	0.8
131.08572	12.1
133.10133	1.2
135.08028	1.2
135.11702	1.7
145.10117	24.1
147.08038	0.6
147.11676	30.7
148.12039	0.8
149.02335	27.0
149.09607	2.9
150.02673	0.9
159.11678	5.9
161.13248	4.0
163.11205	1.2
163.14799	2.5
177.12762	2.5
178.04973	0.7
181.64165	0.6
187.14818	38.6
188.15154	1.7
205.12262	3.3
205.15871	100.0
206.08098	0.7
206.16307	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	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03940	0.2
56.96565	0.4
57.07084	0.3
65.03931	0.2
69.86544	0.3
69.86933	0.3
78.42696	0.2
81.03413	0.5
85.02908	0.2
91.05469	0.2
97.02890	0.2
98.22673	0.3
104.04996	0.5
105.03390	1.3
105.07011	0.4
107.08576	0.2
116.05273	0.2
119.08537	0.2
120.08057	0.2
121.02872	0.2
122.09598	0.1
125.06043	0.2
130.56754	0.2
132.04451	2.4
133.02837	0.5
149.02315	0.6
150.02692	0.9
150.05493	2.6
160.03972	0.5
160.07556	0.2
178.04984	100.0
179.05341	2.6
188.07066	0.4
191.14259	0.2
206.04480	31.3
206.08070	1.0
206.16367	0.3
207.04771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	36.5
57.74336	1.2
58.06600	1.3
62.52677	1.1
67.05513	1.8
69.96257	1.2
70.06586	3.2
71.32478	2.0
71.95257	2.7
72.08157	2.4
72.96038	3.0
78.59540	1.6
86.39750	1.2
95.08607	2.6
97.02898	3.3
98.97549	2.4
105.03400	1.3
108.09340	1.3
110.07175	2.5
111.76900	1.4
119.04958	1.7
125.02356	17.0
131.59795	1.2
132.04416	2.9
134.05905	1.3
136.99063	1.6
139.00661	2.4
150.02737	2.4
151.70296	1.3
153.01859	15.8
155.00145	5.9
157.01802	2.4
160.07460	1.4
164.98621	1.4
171.02910	4.6
173.01270	13.0
178.04990	100.0
179.05354	2.9
182.99641	18.5
191.02299	5.2
201.00717	24.7
201.02487	1.8
204.18102	1.5
206.04482	42.2
206.07928	1.8
206.11884	1.8
206.17630	2.1
219.01820	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	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.55879	0.7
51.02367	0.9
53.03943	1.5
55.01870	1.3
55.82994	0.7
64.03166	1.0
65.03933	8.2
68.35315	0.7
69.98719	2.4
70.06607	0.9
73.63343	0.8
76.03132	1.1
77.03915	2.2
78.04731	1.0
79.05494	1.5
80.06227	1.5
81.07027	1.1
85.02907	0.9
89.03915	5.9
90.04672	2.1
91.05482	100.0
92.05806	2.2
95.04965	1.2
95.08594	1.9
98.22645	0.9
103.05460	2.7
104.02616	1.1
105.03389	1.8
105.07029	3.1
107.04970	2.0
107.08580	1.8
108.05737	1.9
109.10146	1.0
118.04159	9.8
119.04944	92.4
119.08584	2.0
120.04455	0.7
120.05248	1.2
121.02843	3.3
122.03654	1.1
123.08048	1.9
129.03325	1.8
129.04507	1.3
131.04926	1.2
132.02068	8.4
133.02876	1.1
133.10161	1.5
134.03537	1.0
135.04410	4.3
136.05176	3.0
137.05975	1.0
145.02843	2.6
146.03694	1.6
147.04410	70.4
147.11700	1.1
148.04811	0.9
149.02341	12.8
149.06107	1.0
149.09641	1.7
150.03101	1.5
157.03972	9.9
161.05914	1.3
161.09644	0.9
161.13261	1.2
162.03137	1.8
162.05499	1.9
163.03955	1.3
164.04672	7.5
174.03047	1.1
175.03908	74.6
176.04333	1.8
177.01785	3.4
179.07042	6.7
189.06628	0.9
189.12714	1.6
190.04996	1.6
192.04173	32.8
207.06511	45.7
207.13681	2.1
207.17448	0.9
208.06194	3.1
221.06378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03945	4.8
55.01873	2.7
55.05513	3.0
64.38260	0.7
65.03934	1.3
67.05507	13.2
68.99789	1.0
69.03432	7.0
70.09654	2.8
71.04995	2.8
75.23186	0.7
77.03934	1.1
79.05495	23.8
81.03420	4.5
81.07043	6.9
83.04978	2.6
91.05481	21.4
93.07043	8.9
95.04974	10.5
95.08604	5.2
97.02882	0.9
97.06548	2.3
99.04461	5.1
103.05470	2.0
103.98166	0.8
105.04485	2.0
105.07033	35.4
107.04960	15.5
107.05700	1.0
107.08610	5.3
107.81668	0.8
109.02863	5.4
109.06529	6.9
109.10159	25.6
111.04456	3.3
115.05476	2.8
117.07001	6.6
119.04955	1.5
119.08585	24.4
121.06503	5.8
121.10142	3.3
123.04420	1.4
123.08070	2.4
128.06226	15.6
129.07011	11.0
130.07770	1.6
131.04929	1.5
131.08568	3.9
132.05707	1.4
133.06499	4.7
133.10127	26.8
134.10489	0.9
135.08047	5.3
137.06010	3.0
137.09616	32.5
138.09956	0.9
143.08549	26.9
145.06508	3.6
145.10120	3.2
146.07260	8.0
147.08051	37.5
147.11678	1.0
148.08713	0.8
149.09639	1.4
151.07539	4.7
155.05988	1.9
158.47986	0.8
159.08119	2.8
161.09621	100.0
162.09961	4.3
163.07500	1.2
163.11197	4.7
165.09143	12.7
171.08075	3.2
174.06793	3.3
179.10710	3.6
189.09100	9.7
189.12749	1.2
207.10136	17.0
207.13850	2.8
228.99210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	0.6
55.05515	1.3
57.07067	1.8
65.03937	1.3
67.05499	4.5
68.32527	0.5
69.03425	1.5
69.07066	1.9
70.84947	1.3
76.63088	0.5
79.05485	3.3
81.07054	14.5
83.05016	0.6
85.02906	100.0
86.03251	1.4
91.05485	12.1
93.07037	4.3
95.04989	0.7
95.08607	4.2
103.05482	0.6
105.07037	7.1
107.08585	6.1
109.06519	2.5
109.10156	17.2
110.10503	0.5
111.04410	1.1
118.04166	0.8
119.04954	6.4
119.08578	6.7
120.05298	0.5
121.06489	1.1
121.10142	9.4
123.08084	2.6
123.11708	61.5
124.12025	1.3
125.05990	12.8
130.07762	0.9
131.08549	2.7
133.06479	1.0
133.10095	0.6
135.04533	0.5
135.11667	0.5
137.05978	0.6
137.09674	0.7
139.07564	0.8
141.05460	0.9
143.08578	1.0
145.10147	4.4
146.10942	0.5
147.04398	5.9
147.08047	4.6
147.11700	8.4
149.02351	1.3
149.09616	15.1
151.07538	4.5
156.09370	1.5
159.08078	1.2
159.98955	0.5
160.08859	0.8
161.09650	0.6
161.13237	1.3
163.11264	0.7
165.12755	2.1
168.58897	0.5
169.08636	1.0
171.11716	1.5
174.10396	1.2
175.03908	5.6
189.12738	7.2
192.04169	1.9
207.06572	3.4
207.13809	32.6
208.14194	0.7
213.44603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.40168	4.7
53.03956	7.2
55.01876	7.5
55.05511	12.8
57.07076	8.6
59.05011	4.6
67.05507	62.5
69.03429	65.6
69.07077	29.8
69.82862	23.6
71.04969	5.5
72.09804	5.8
73.66226	4.1
79.05483	29.3
81.03427	20.7
81.07069	25.0
82.76196	5.0
83.04987	21.6
91.05464	33.5
93.07042	29.5
95.04951	40.8
95.08631	22.1
97.02884	7.9
97.06551	11.6
97.10169	4.9
103.26806	5.4
105.07026	50.3
107.04993	8.3
107.08630	30.8
109.06532	28.1
109.10168	14.2
110.07292	9.5
111.08094	14.8
111.10323	5.1
112.37105	4.6
119.04967	7.3
119.08579	44.9
120.04472	6.8
121.06530	8.2
121.10113	28.6
123.04418	53.5
123.08091	21.4
123.11671	7.1
129.07036	10.5
131.08560	8.6
133.06505	6.5
133.10132	59.7
137.05988	30.8
137.06911	4.8
137.09673	11.3
145.06493	5.3
145.10114	10.9
147.04382	5.7
147.08110	12.3
147.11708	30.4
149.09645	14.3
149.13264	6.0
151.07530	13.5
157.06444	5.8
159.11681	7.6
161.09604	10.9
161.13255	28.3
162.08934	4.6
163.11176	26.2
171.11702	10.8
174.10452	7.1
189.08990	6.0
189.12773	32.8
190.04950	11.3
207.06459	8.7
207.13789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05507	1.9
59.05000	3.5
63.04951	0.7
64.53605	0.6
66.28725	0.6
67.05516	2.5
69.00350	0.6
69.03425	3.0
69.06491	3.3
69.06915	2.8
71.04996	2.4
79.05490	2.9
81.07051	3.8
83.04983	3.4
85.02894	1.3
91.05481	7.9
93.07048	5.7
93.52268	0.8
95.04971	1.5
95.08605	6.0
97.06532	2.3
98.90213	0.7
101.73374	0.8
103.05479	1.1
105.07026	12.6
107.04971	1.0
107.08600	8.5
109.06522	6.0
114.27125	0.7
117.07028	1.2
119.04935	3.7
119.08575	8.3
120.08148	1.4
121.06493	4.1
121.10141	7.8
123.08077	17.8
123.11710	2.4
129.07008	0.8
131.08554	2.3
133.06485	3.7
133.10138	2.5
135.08070	0.7
137.09636	2.9
137.13326	0.7
139.07513	1.5
143.08603	2.6
144.08054	1.7
145.10130	1.7
147.04405	2.3
147.08076	3.3
147.11684	6.1
149.09624	100.0
150.09970	2.5
151.07565	3.0
155.08571	0.8
156.09348	3.2
159.08061	0.9
159.11745	1.4
161.09671	1.1
161.13258	6.4
162.09169	1.6
163.11127	1.1
165.12778	5.7
171.11691	8.6
174.10425	3.4
175.03891	3.5
189.12752	25.5
190.13080	1.6
192.04199	0.9
207.06598	1.4
207.13817	55.6
208.14136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.83358	0.9
53.03947	1.7
54.49536	0.9
55.01868	1.3
55.05508	6.5
57.07080	4.9
59.04979	2.5
65.03920	2.7
67.05502	33.0
67.79511	1.1
69.03419	5.3
69.07061	3.8
69.43769	3.8
69.44172	1.9
71.04982	2.7
71.14144	0.9
73.68487	1.0
79.05503	5.2
79.80161	0.9
81.07063	6.1
83.04974	4.0
85.06541	7.8
87.65307	1.0
89.03909	1.2
91.05474	21.2
93.07040	16.6
95.04976	4.8
95.08604	100.0
95.47981	0.9
96.08937	2.9
97.06522	2.1
103.05418	1.2
105.07020	21.0
107.08591	23.1
109.06535	5.8
109.10162	4.0
111.08096	1.5
113.06007	4.0
114.46613	1.0
117.07013	2.0
119.04944	9.6
119.08575	30.2
121.06499	4.3
121.10135	20.9
123.08061	68.7
123.11691	8.8
125.09618	2.0
131.08575	6.6
132.02016	1.3
133.06491	2.1
133.10118	7.1
135.08037	3.1
135.11665	2.8
135.24829	1.1
137.09607	6.7
137.13269	3.0
139.07547	2.2
143.08546	2.0
145.10117	2.4
147.04401	7.5
147.08090	6.5
147.11679	14.6
149.02350	1.2
149.09613	63.5
150.09947	1.8
151.07538	3.8
151.14787	4.7
156.09375	3.5
157.03972	1.5
159.08029	1.7
161.09715	2.1
161.13252	26.0
163.11150	2.8
165.09126	2.3
165.12766	13.4
171.11717	5.0
174.10411	4.5
175.03902	10.2
179.14282	2.3
189.12724	28.1
189.14349	1.7
192.04176	3.5
207.06543	5.2
207.13802	43.9
208.14142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	0.6
55.01874	0.6
55.05505	2.4
56.27057	0.5
57.07076	0.8
65.03943	1.5
67.05507	5.6
67.17070	0.6
69.03431	4.3
69.07056	1.9
71.04987	0.7
79.05490	4.7
79.19341	0.5
81.03432	0.8
81.07059	11.2
83.04987	1.3
85.02905	100.0
86.03234	1.4
91.05481	19.1
93.07059	6.0
95.04969	5.3
95.08604	6.4
97.06538	8.6
105.06361	1.1
105.07026	9.9
107.04984	1.3
107.08592	35.0
108.08952	0.7
109.06516	5.2
109.10132	0.8
111.04497	0.6
111.08092	2.6
117.07027	0.9
118.04189	0.8
119.04946	11.7
119.05810	1.0
119.06109	0.6
119.08585	6.8
120.08183	0.5
121.06519	1.6
121.10135	4.4
123.04450	2.5
123.08074	2.6
123.11703	7.9
125.05991	1.7
125.09644	1.0
131.08575	2.8
132.02058	1.3
133.06519	1.1
133.10149	1.9
135.04411	1.0
135.08092	0.6
135.11659	0.6
137.05960	1.0
137.09615	1.7
143.08582	1.0
145.10085	2.8
146.03604	0.6
147.04425	9.8
147.08040	2.0
147.11676	8.0
149.02341	1.3
149.09618	7.1
151.07553	4.8
156.09349	1.1
157.03926	0.9
161.09633	1.2
161.13263	2.5
163.11195	1.8
164.04683	1.0
165.12744	3.2
171.11694	1.5
175.03911	10.7
179.07016	1.3
189.12758	4.2
192.04161	1.4
207.06500	5.1
207.13786	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.2
55.01872	5.5
55.05502	11.1
59.04995	2.5
65.03940	8.4
66.75809	2.1
67.05505	20.5
69.03430	10.2
69.07060	9.2
69.48842	12.7
79.05492	15.0
81.03439	2.5
81.07062	21.0
83.04980	5.8
83.08651	2.9
85.06552	3.0
87.04474	18.7
89.03936	2.4
91.05483	80.9
92.05823	2.9
93.07046	26.9
95.04970	10.5
95.08614	16.9
97.06550	5.7
98.22690	4.7
104.73451	2.3
105.07032	58.1
107.04939	3.5
107.08605	15.9
108.00014	2.7
109.06529	8.6
109.10162	17.5
111.04485	5.6
111.08019	5.5
115.05455	4.1
117.07030	42.5
118.04211	3.0
119.04954	46.8
119.08581	40.1
121.06512	6.4
121.10133	32.8
123.08073	8.0
125.05991	11.7
128.06221	5.5
129.07027	10.9
131.08571	14.0
133.06465	16.6
133.10147	29.2
135.08023	4.1
135.11737	4.3
137.05936	3.3
137.09634	2.9
138.62074	2.2
139.06471	4.8
139.07542	100.0
141.07031	3.7
143.08600	11.8
145.10167	9.2
146.03665	3.5
147.04407	41.2
147.08070	20.6
147.11703	17.6
149.02383	5.2
149.09662	8.0
151.07520	17.3
156.09363	17.4
157.04001	4.3
159.11691	32.2
161.09633	7.2
161.13251	16.4
163.11166	8.3
164.04681	4.0
165.12698	2.3
171.11684	20.1
174.03210	4.2
175.03894	41.3
175.05249	3.9
177.12772	3.1
179.07053	7.2
189.12794	17.3
192.04163	7.1
207.06526	21.1
207.13817	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	3.4
54.50555	1.8
55.01867	2.4
55.05513	14.9
56.09532	1.9
57.03439	3.4
57.07076	2.5
65.03938	2.0
65.36496	1.8
67.05511	17.5
69.03435	11.8
69.04480	13.0
69.04901	4.9
69.07063	8.0
71.04982	8.0
79.05484	15.9
80.97841	1.8
81.03423	2.5
81.07048	12.4
83.04974	6.9
85.02893	5.5
85.06555	2.3
91.05480	34.0
93.07045	24.5
94.72079	1.9
95.04963	11.8
95.08597	18.1
97.06533	7.5
98.23363	4.6
99.04451	6.0
99.49567	1.9
103.05495	2.7
105.07034	66.6
105.07750	3.2
107.04973	3.6
107.08592	50.5
108.76009	1.8
109.06507	13.4
109.10159	24.2
110.10491	1.8
116.41483	1.8
117.07012	6.5
119.04932	6.5
119.08582	92.2
120.08897	2.7
121.06512	18.0
121.10111	12.6
123.08069	26.7
123.11709	3.7
128.06210	3.6
129.07002	4.3
131.08583	13.3
133.06494	8.8
133.10139	29.0
135.08044	15.5
135.11684	3.1
137.05983	3.7
137.09608	24.9
143.08566	5.7
144.09354	5.0
145.06453	5.4
145.10129	6.2
147.04416	3.2
147.08051	16.9
147.11685	70.6
148.12108	2.0
149.09625	20.4
151.07579	2.2
156.09370	14.7
159.08081	4.2
159.11679	34.5
160.08792	5.1
161.09622	11.1
161.13251	46.6
162.13541	3.7
163.11159	12.8
165.12787	2.8
171.11682	11.0
174.10472	3.2
175.03889	5.5
177.12715	10.3
189.12752	31.6
194.45796	1.9
207.06509	3.7
207.13811	100.0
208.14105	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.2
55.05507	5.7
55.27931	1.3
57.03426	1.4
57.07076	3.1
59.04993	2.7
65.03929	2.7
67.05506	36.9
69.03418	5.1
69.07092	3.0
69.94022	4.7
69.94386	2.4
70.06593	1.4
71.04996	3.2
79.05515	6.2
81.06634	1.5
81.07043	8.2
83.04983	3.9
84.08166	1.8
85.02920	2.8
85.06549	8.0
91.05486	17.6
91.96253	1.2
93.07050	18.5
95.04952	4.8
95.08610	100.0
96.08926	1.6
97.06541	3.0
99.13371	1.2
103.05458	1.7
105.07040	21.7
107.04972	1.8
107.08595	18.0
107.58257	1.3
108.05717	1.3
109.06528	4.7
109.10149	4.9
113.05996	3.1
117.07043	2.5
119.04963	6.1
119.08590	29.9
120.09425	1.4
121.06475	3.8
121.10152	15.4
123.08072	65.1
123.11684	7.1
124.08421	1.6
131.08588	4.0
133.06503	1.8
133.10130	8.6
135.08070	2.6
135.11694	4.1
137.09627	4.8
143.08540	1.7
145.10159	3.9
147.04422	4.2
147.08058	4.8
147.11693	14.7
149.09621	40.4
150.09792	1.4
151.07616	2.5
151.14784	3.6
156.09348	2.7
159.08055	2.6
159.11716	2.2
160.08783	2.3
161.09615	4.2
161.13240	21.8
163.11186	5.4
165.09094	2.2
165.12793	8.7
166.34953	1.3
171.11699	3.8
173.28406	1.6
174.10437	4.0
175.03923	4.0
179.14349	3.4
182.14108	1.5
189.12726	19.5
190.04921	3.1
192.04156	1.5
207.06577	5.1
207.13776	29.7
208.09624	2.0
208.14075	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03958	11.1
53.88220	1.7
53.98649	1.9
55.01872	7.9
55.05515	3.6
56.74759	2.2
57.03424	1.9
59.31591	1.9
64.94859	1.9
65.03944	19.6
67.05521	9.9
69.07072	3.6
70.06596	4.9
71.04966	2.7
75.04484	16.5
78.04719	15.4
78.95673	1.9
79.05490	16.0
81.03439	2.6
81.07059	6.9
84.08162	5.0
85.02915	11.3
89.03923	7.5
89.05995	2.5
91.05487	65.0
93.03409	44.8
93.07051	21.0
95.04977	23.5
95.08613	4.1
97.06527	16.6
103.05470	19.2
105.03401	4.7
105.04511	5.8
105.07048	4.1
106.04179	100.0
107.04960	6.1
107.08595	6.4
108.05735	2.8
109.06544	4.8
109.10183	3.6
110.03699	2.6
111.04459	4.3
111.08082	2.4
112.82763	2.0
117.03357	3.4
119.04947	4.3
119.08595	2.9
121.02896	4.3
121.06509	85.9
121.10171	3.5
123.04435	5.6
123.08122	2.9
124.05201	2.9
125.05996	28.6
125.09637	2.2
131.04945	4.5
131.06035	2.1
133.06508	2.9
134.03630	14.4
135.04417	7.6
135.08086	2.4
137.05998	14.1
138.06738	3.2
139.07564	7.3
145.02849	4.0
147.04410	2.6
148.05193	7.4
149.05989	96.4
149.09584	3.1
149.13303	2.4
151.03929	2.9
151.07506	4.4
153.05482	6.3
153.09129	18.3
163.03871	2.6
163.07549	6.1
165.05486	2.1
166.06261	6.5
177.05473	30.1
181.08588	23.0
182.09084	2.3
191.14291	3.6
192.06549	3.1
209.04488	5.1
209.07962	17.4
209.15363	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.89426	4.9
53.03946	7.3
55.01870	18.9
55.05510	47.9
57.07078	11.7
57.30125	5.5
63.79055	4.5
65.03939	19.0
65.57140	4.7
67.05506	43.1
69.03443	16.0
69.07066	60.9
70.06575	11.4
70.65047	14.7
71.04985	8.2
76.15532	4.8
78.04718	5.3
79.05492	60.7
81.03410	11.0
81.07056	98.3
83.04973	25.5
83.08594	18.9
84.08158	13.1
85.02926	7.3
85.06528	6.1
87.04468	19.7
91.05492	58.0
93.03403	8.6
93.07043	100.0
95.04974	62.4
95.08613	91.6
97.06522	37.7
97.10157	13.1
99.04445	6.8
99.08125	5.1
99.78984	5.3
100.51797	4.5
101.06037	8.9
103.05514	5.7
105.07024	62.2
106.04193	25.2
107.04963	23.6
107.08604	88.1
109.06522	38.9
109.10141	42.0
111.04417	29.8
111.08089	9.3
113.06039	5.4
113.89235	5.2
117.07025	14.3
119.08588	37.3
121.06508	86.1
121.10130	44.1
123.08086	14.0
123.11743	24.5
125.05991	99.1
126.01839	4.7
131.08574	50.8
133.10114	63.0
135.08052	57.4
135.11679	38.9
137.05963	5.2
139.07549	12.0
141.56595	4.7
143.08540	8.0
145.10143	34.6
147.11688	23.4
149.02278	6.7
149.05974	20.6
149.09601	24.9
149.13264	28.1
151.11198	8.0
153.09122	15.2
158.67621	4.8
161.13223	6.8
163.11197	15.7
163.14841	23.3
165.12735	16.4
172.49469	5.8
173.13274	53.9
177.05563	10.1
179.08365	6.4
182.15411	13.5
191.10809	4.8
191.14334	48.1
194.10889	7.4
209.09737	8.2
209.11528	9.5
209.13364	11.8
209.15315	98.7
210.11240	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01864	1.7
55.05511	7.5
57.03422	1.5
57.07072	2.9
57.14694	0.7
57.14976	0.6
59.04992	2.3
65.03928	1.3
66.37219	0.6
67.05505	6.7
69.03419	2.1
69.07069	25.5
69.36198	0.7
69.36590	4.6
71.04987	3.9
73.06544	1.5
79.05486	7.9
81.07057	11.5
83.04980	2.7
83.08633	4.5
84.10518	0.7
85.02909	2.1
85.06544	7.2
86.09743	0.7
91.05473	7.5
93.03416	1.2
93.07053	15.8
95.04974	5.4
95.08613	11.0
97.06531	11.6
97.10168	5.5
98.23337	0.9
99.04454	17.4
99.08098	1.0
105.07037	10.5
106.04192	3.2
107.04964	1.5
107.08596	24.7
109.06524	7.6
109.10152	4.7
110.12025	0.7
111.04408	0.9
111.08076	11.7
111.11655	0.9
113.06006	31.5
117.07049	0.9
119.06088	0.9
119.08582	5.9
121.06482	4.7
121.10151	12.2
123.08062	8.6
123.11694	3.5
125.05998	2.9
125.09620	6.1
127.07556	13.1
127.08466	1.4
131.08542	6.6
133.10133	11.3
134.03638	0.8
135.08052	14.5
135.11685	7.1
137.09631	4.6
139.07549	2.9
139.11185	1.4
141.09103	11.4
143.08546	1.3
145.10109	5.7
147.11688	10.5
149.05980	2.5
149.09653	4.2
149.13249	11.7
151.11209	2.2
153.09106	12.2
158.10915	2.1
163.11156	3.7
163.14821	4.6
164.90202	0.7
165.12799	1.4
167.10692	1.3
167.14287	1.1
173.13257	18.9
174.13670	0.9
177.05515	0.9
181.08537	0.8
191.10646	2.0
191.14301	22.1
192.14716	0.7
194.10828	0.9
209.15367	100.0
210.15735	3.8
214.25281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	5.1
55.01870	7.3
55.05514	39.3
57.03426	3.4
57.07077	6.2
59.04994	2.3
65.03925	3.4
67.05508	22.0
69.03432	10.0
69.07069	65.8
70.06571	1.7
71.04990	4.6
71.08639	1.5
71.30381	1.4
77.03919	1.8
79.05493	62.3
81.03424	9.4
81.07058	66.1
83.04985	31.2
83.08631	9.3
84.08148	1.5
85.06529	5.3
87.04473	24.8
87.04982	2.8
91.04900	2.0
91.05479	43.6
93.07044	75.9
94.07371	2.7
95.04976	50.8
95.08609	53.4
97.05917	2.0
97.06535	35.2
97.10171	11.7
99.04447	1.8
99.08010	1.3
101.03999	1.3
101.06006	10.1
103.05479	1.8
105.04472	2.1
105.07030	60.9
107.04967	18.7
107.08595	92.0
108.08932	1.5
109.05782	1.7
109.06522	30.9
109.10159	32.8
111.04453	24.0
111.05195	2.6
111.08064	5.7
111.11742	2.8
115.05431	2.0
115.07560	4.3
116.06223	2.0
117.07021	15.3
119.06094	1.6
119.08581	28.0
120.09334	1.5
121.06510	73.9
121.10146	36.1
122.06818	1.4
123.08054	8.1
123.11720	33.9
125.05994	100.0
125.09542	1.7
127.07578	3.0
129.06978	3.9
130.07756	1.5
131.08569	49.1
133.06456	1.7
133.10127	69.8
134.10452	2.1
135.08057	57.4
135.11684	29.9
136.08392	2.0
136.12051	2.2
137.09595	1.9
139.07504	4.4
143.08537	5.8
144.09349	1.9
145.10120	22.7
147.10605	2.1
147.11682	22.1
148.08830	1.7
149.05978	1.8
149.09615	17.4
149.12160	1.8
149.13257	25.4
151.11208	1.6
153.09111	10.6
158.10910	7.8
161.13242	13.2
163.11153	3.8
163.14833	26.1
173.13264	58.3
174.13628	2.6
176.11974	1.8
177.68448	1.4
179.08463	2.2
179.14290	5.4
191.14311	61.3
192.14641	2.3
209.09419	2.8
209.13434	3.9
209.15359	81.0
210.07571	2.4
210.15761	2.4
225.25864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	3.2
55.05494	7.3
59.04984	5.7
66.52589	2.0
67.05510	10.1
69.03436	8.2
69.07195	21.4
71.04978	2.6
71.41983	1.8
79.05486	25.9
80.54350	2.0
81.03398	3.0
81.07049	37.2
82.47513	2.2
83.04987	4.9
83.08591	2.5
85.06537	2.5
91.05476	17.9
91.41162	2.1
93.07041	12.3
95.04955	5.9
95.08597	7.6
97.06528	5.9
98.23435	2.3
100.68930	2.1
103.24237	2.1
103.29617	1.9
105.07027	17.5
106.04175	5.0
107.04948	2.6
107.08588	85.6
109.06519	24.2
109.10150	11.8
111.08059	3.1
111.75558	1.8
114.89761	2.6
115.05473	5.0
117.07001	5.8
119.08580	5.8
121.06470	6.9
121.10127	28.7
122.07291	7.0
123.08064	6.3
125.05990	2.9
125.09591	3.9
131.08574	4.6
133.10124	100.0
135.08041	22.4
135.11646	5.2
137.09618	73.8
147.11690	3.8
149.06007	5.2
149.09584	3.9
149.13258	19.7
151.03836	2.3
151.11185	5.8
163.11174	2.3
163.14832	9.8
165.12723	2.5
173.13269	9.8
179.08475	2.3
191.14360	11.9
209.15353	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	209.9567
Annotation	Unknow
Peak:m/z	Relative Intensity
62.90093	9.3
70.25623	33.7
73.42417	8.6
83.56560	9.6
94.93030	100.0
104.75149	11.7
112.02708	9.1
112.25638	9.7
112.89651	16.4
173.49533	9.7
192.92996	31.5
205.10597	9.4
209.95697	65.4
214.81810	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	210.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81903	13.1
52.38651	15.7
53.81792	16.0
59.67123	15.3
71.06206	20.7
76.04115	17.7
82.01493	18.0
100.02466	30.5
110.37495	14.5
117.03998	35.5
118.03557	20.9
122.06048	18.3
129.01820	100.0
139.00229	30.7
142.03467	34.4
147.02924	26.2
157.01373	43.9
160.04549	23.2
164.07047	36.5
187.01083	16.9
197.46895	17.3
205.98766	18.3
209.93875	19.9
210.02455	32.8
210.07639	49.6
210.11220	22.3
210.15404	15.9
233.78265	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09850	23.0
57.10806	30.6
58.90573	22.1
58.96021	28.2
69.91972	100.0
69.92315	32.3
94.93039	47.5
112.89594	63.9
120.94534	40.1
192.31818	27.8
199.30661	25.2
210.94080	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03931	3.1
55.01861	5.3
55.05494	3.2
57.07071	1.3
65.03927	2.3
67.05515	9.4
69.03424	5.7
69.07059	3.1
70.06590	7.6
71.29024	1.4
72.08147	1.9
79.05492	15.4
80.05004	1.0
81.07063	6.3
83.04951	2.1
84.08105	1.3
91.05479	53.0
92.05815	1.1
93.07040	11.6
95.04968	7.9
95.08606	13.4
97.02859	1.4
97.06515	4.5
99.04487	1.2
103.05451	5.1
104.06268	1.3
105.03382	3.6
105.07029	39.7
107.04945	12.0
107.08596	25.2
108.05704	1.3
109.06505	12.9
109.10152	9.0
111.04422	2.0
111.08099	1.2
115.05421	2.3
117.07021	17.8
118.04169	1.2
119.04205	1.5
119.04942	18.2
119.08578	100.0
120.08938	2.5
121.06515	13.8
121.10165	6.5
123.02481	1.0
123.04442	4.9
123.08065	41.1
125.05975	2.1
125.09650	1.3
129.06938	4.6
131.08554	1.8
132.05664	4.3
133.06493	17.4
133.10175	1.1
134.03590	2.5
135.04424	2.6
135.08047	73.4
136.02643	0.9
137.05937	3.1
137.09598	12.9
139.07480	1.1
145.06413	5.0
147.04376	3.2
147.08052	49.1
148.05125	1.9
149.06047	5.4
149.09592	8.3
151.03949	7.0
151.07520	21.0
153.05446	1.6
153.09103	3.1
155.08484	1.2
157.06419	1.1
161.05939	2.0
163.07538	38.7
165.06892	2.4
165.09114	66.2
166.09496	1.0
167.07062	6.8
169.04941	2.3
175.07535	24.1
177.66858	0.9
179.03383	2.1
179.06990	1.9
181.08597	11.2
183.08052	1.8
193.08574	22.8
193.12259	1.0
205.98732	1.3
211.05917	1.8
211.07625	3.2
211.09604	49.5
212.09848	2.2
212.16385	4.3
231.67499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01884	4.9
55.05524	21.7
57.03445	4.2
57.07073	4.9
67.05501	27.1
69.03471	4.8
69.07087	18.5
70.74986	6.5
71.04994	8.2
71.08645	5.2
79.05495	10.0
81.03455	3.5
81.07066	39.2
83.04988	13.2
83.08617	10.0
85.06554	6.0
87.38048	4.3
91.05478	7.5
93.07060	21.5
95.04984	11.1
95.08617	44.8
97.06542	7.8
99.08147	6.4
100.44861	3.8
105.07048	15.3
107.08567	29.0
109.06539	15.8
109.10162	100.0
111.08081	42.8
113.06036	5.3
115.13924	3.8
119.08586	35.6
121.10137	27.4
123.08078	39.5
123.11736	15.5
125.09673	5.7
127.07529	4.2
133.10138	30.6
135.11694	45.3
137.09616	78.9
137.13251	5.4
138.10399	15.5
139.11201	5.3
145.96719	5.1
146.97548	4.0
147.11722	10.1
149.13292	12.4
151.11211	4.7
151.14847	7.6
163.97717	4.9
165.12801	13.9
175.14839	40.9
177.11308	3.4
190.10851	4.1
193.15880	23.3
193.58952	3.8
205.98819	6.5
210.86717	3.7
211.05765	6.6
211.07724	4.1
211.11116	4.2
211.16931	20.7
212.09196	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	212.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.2
63.79696	0.6
69.03429	10.3
69.07072	2.7
70.06596	1.3
70.42931	1.4
72.76804	0.5
74.29094	0.5
77.00943	0.7
78.80865	0.5
80.05006	0.8
82.06589	1.2
84.08148	7.4
94.06554	0.7
98.06047	5.1
101.00939	1.1
103.99729	0.6
110.07160	1.8
112.07606	88.4
113.07918	1.0
119.01942	2.0
122.04562	0.7
133.09766	0.5
140.05566	8.3
141.05672	0.6
144.38211	0.6
145.03485	0.6
152.05579	1.7
158.06636	72.0
159.06789	3.2
162.06152	0.7
162.10721	0.6
166.02910	0.7
168.05139	0.6
170.06635	13.1
173.05371	0.7
176.07693	44.8
177.07880	1.8
177.67171	0.7
181.08266	0.7
185.05331	1.7
186.06068	1.3
188.07692	44.8
188.92403	0.6
189.07890	1.8
194.06624	2.5
200.07671	4.6
203.06302	0.8
212.07671	100.0
212.21266	0.5
213.07870	5.1
218.08798	0.8
230.08739	83.9
231.08939	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	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.5
69.03430	10.6
69.03780	1.2
69.07063	2.1
70.06599	0.7
70.83916	0.6
71.15565	1.3
78.65217	0.5
82.06594	1.2
84.08143	7.2
89.16191	0.7
91.82891	0.7
92.86932	0.6
98.06055	3.9
98.97574	0.7
101.00896	1.2
110.07155	1.8
112.07605	86.5
113.07953	0.9
119.01932	2.6
122.04554	1.0
140.05557	10.3
152.05626	1.3
158.06630	76.7
159.06772	3.1
162.06128	0.9
166.03003	1.0
170.06642	13.9
173.05359	1.2
176.07686	46.9
177.07895	2.0
184.04034	0.6
185.05276	1.5
186.06013	0.9
188.07683	45.4
188.92462	1.1
189.07924	2.8
194.06712	2.0
200.07689	5.7
203.06404	1.0
212.07671	100.0
212.30428	0.6
213.07927	4.6
230.08737	82.1
231.08940	3.0
232.06093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99011	27.0
60.55174	32.5
61.43274	24.9
63.21743	24.8
70.57210	40.2
70.57562	49.3
70.77182	30.2
72.74650	23.6
78.75098	24.0
79.10246	28.2
96.71315	28.8
110.07188	31.5
124.67561	26.4
125.75452	36.0
125.82098	28.2
129.54616	30.2
136.13872	28.8
192.64275	28.5
196.04839	71.4
212.85184	100.0
213.07521	37.1
228.82436	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87106	2.4
53.76527	2.4
56.96558	6.8
66.41948	2.4
69.62370	11.5
70.06592	100.0
71.85856	2.9
81.98695	2.6
84.08144	5.8
85.08450	2.6
86.09687	8.7
101.00889	10.5
110.07171	16.9
112.07579	7.7
116.07086	13.4
118.03525	3.2
119.01907	18.7
121.53243	2.7
122.07172	3.1
131.01889	7.1
137.02963	3.3
145.03479	11.1
151.41493	2.3
155.01921	3.1
156.07674	3.9
156.97537	5.6
159.06799	8.2
159.77774	2.5
161.03011	4.4
174.98572	4.0
177.07729	3.3
189.07817	5.4
195.06509	3.3
196.04843	17.0
212.85298	13.2
213.07639	26.4
213.12311	13.7
214.07574	3.6
225.98370	2.9
231.03534	3.3
231.08977	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
54.66845	8.4
55.05513	32.9
57.03444	10.6
57.07070	8.8
67.05504	85.6
69.07056	29.3
70.06606	11.8
70.56210	17.6
71.05002	12.0
79.05482	33.0
81.07059	100.0
83.04985	11.1
83.08617	16.9
87.33855	8.9
88.07636	25.1
91.05480	23.2
93.07035	73.0
95.08629	26.7
97.06523	16.0
98.97638	8.1
105.07053	9.0
107.08566	45.5
110.07119	8.6
111.08076	11.7
117.07008	8.7
119.08575	13.5
121.10137	15.3
131.08606	10.6
133.10156	8.4
145.10172	9.8
145.57387	8.2
149.13243	29.5
156.88338	7.6
159.11674	12.9
164.94817	8.7
195.13846	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03944	1.5
55.01871	16.9
55.05514	85.3
57.03423	2.2
57.07059	1.1
59.05016	2.1
59.24188	1.0
59.97684	0.9
66.18539	1.0
67.05507	32.9
69.03431	7.6
69.05582	6.8
69.05988	2.2
69.07071	15.2
70.06595	6.6
71.04996	72.3
72.08149	1.1
79.05499	22.5
81.03414	3.0
81.07059	34.8
83.04989	6.7
83.08623	49.4
83.09121	2.5
85.06554	7.1
86.09722	1.9
87.04473	12.3
91.05495	8.6
93.07052	22.8
95.04941	1.2
95.08142	1.0
95.08612	11.4
97.06535	100.0
97.10172	69.8
98.06853	1.2
99.08082	1.4
101.09637	3.3
105.07031	5.0
105.72764	1.0
107.08597	20.9
109.06523	1.9
109.10156	16.5
111.08071	3.9
116.07056	1.4
117.07026	5.8
119.08541	1.8
121.06512	2.2
121.10115	3.3
125.09633	39.3
126.10023	1.0
128.06180	0.9
131.08556	5.0
132.46890	1.1
133.10133	3.8
135.08058	8.3
135.11705	5.9
143.08470	1.5
143.10704	2.2
147.11723	1.3
149.09572	1.5
149.13261	4.8
153.09062	2.4
157.10114	3.0
159.11658	6.6
167.14259	1.5
171.10118	2.2
171.11546	1.4
177.12744	8.4
185.09581	1.0
189.11240	7.2
195.13797	40.4
213.09207	2.3
213.14841	93.9
214.15186	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	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.93215	2.7
55.01872	5.1
55.05514	26.7
57.03429	10.8
57.07080	5.6
65.03962	3.5
67.05508	72.2
69.07072	25.4
69.58299	19.2
70.06605	4.8
71.05008	5.0
79.05492	47.5
81.07059	100.0
83.04996	4.7
83.08602	24.4
85.06522	3.6
88.07624	15.0
91.05497	25.8
93.07042	64.3
95.04988	3.6
95.08607	26.8
97.06544	11.3
105.06992	7.3
107.08591	33.1
109.10140	6.0
111.08078	7.4
117.07005	10.7
121.10170	19.3
123.11707	5.1
129.07002	4.7
131.08569	8.6
133.10112	12.9
135.09138	3.1
135.11682	13.0
142.07791	3.4
143.08514	4.6
149.13257	32.7
157.10130	9.4
159.11684	20.7
167.14398	3.2
171.11688	7.8
177.12784	5.1
195.13797	6.3
208.18057	3.2
213.12709	9.5
213.16457	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.1
58.06593	0.4
62.13169	0.3
69.07070	11.1
69.51635	0.7
69.52036	1.2
70.06586	3.5
71.06924	0.4
72.04506	0.6
72.08155	1.1
73.59880	0.3
77.00911	0.5
82.99826	4.1
84.04476	0.4
84.08133	2.0
86.09704	91.1
87.09535	0.5
87.10050	1.1
97.06525	9.9
97.07145	0.7
98.22585	0.6
98.97576	3.2
100.02494	2.2
101.00879	41.0
101.39606	0.4
102.00980	1.2
112.02464	0.7
113.00867	1.0
114.09210	0.5
116.98619	1.4
118.03522	10.0
119.01917	100.0
120.01990	3.4
121.02304	0.5
126.03987	0.8
128.98613	0.4
130.03455	2.1
131.01894	3.7
136.04553	1.6
137.02950	25.1
138.03064	0.8
138.49068	0.4
142.03481	0.9
144.05119	1.9
144.08681	3.0
149.02954	0.9
154.03485	1.5
155.05519	1.8
155.08057	0.4
158.06647	0.4
162.09752	1.5
165.44504	0.4
168.08699	3.8
170.04153	0.4
172.04582	2.8
172.08214	1.2
172.94449	0.4
172.97592	0.4
173.02942	1.1
173.06528	1.8
184.08246	0.6
186.09750	60.8
187.09914	3.0
191.03954	2.0
191.07614	2.0
196.08167	1.9
197.06590	5.8
204.10803	23.6
205.10986	1.3
208.10355	0.5
209.11368	0.7
214.09230	28.2
215.07632	6.0
215.09473	1.5
215.13832	0.4
232.10295	60.1
233.08427	2.8
233.10730	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	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01867	0.7
57.07080	1.2
62.23573	0.5
70.97655	1.1
71.73942	0.6
73.02923	1.0
86.06088	1.1
86.09706	100.0
87.10027	1.3
89.06045	0.8
91.73346	0.6
95.78657	0.6
116.10736	1.1
128.10719	49.6
170.11772	46.0
171.12198	1.3
173.08199	0.8
174.14899	6.5
216.16010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15780	1.3
53.15602	1.2
60.44215	1.4
66.75163	1.3
70.86767	2.3
76.10992	1.3
82.99853	5.4
84.08148	7.8
84.90182	1.3
85.01392	7.6
101.00878	59.2
103.02447	14.0
113.00845	3.2
119.01918	100.0
120.02065	4.1
121.03468	6.7
123.95138	1.4
127.02393	7.5
129.00412	2.1
131.01895	12.3
137.02943	21.5
145.03459	93.5
146.03622	5.4
147.01384	6.0
149.02998	4.2
163.04517	32.2
164.04547	1.5
171.01405	4.6
173.02960	4.5
175.00754	2.0
181.98193	1.5
189.02444	27.6
191.04001	4.3
193.02103	1.6
207.03485	11.6
217.01976	5.9
235.03012	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	217.1548
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03955	0.4
55.01880	0.2
55.05514	15.0
56.05023	0.4
56.05870	0.2
56.96566	0.9
57.03432	0.2
57.05815	1.0
59.05013	0.5
61.36288	0.2
67.05504	0.6
69.03432	0.7
69.07064	0.2
70.06592	1.4
71.02444	0.3
71.04987	0.2
72.08157	100.0
73.02901	0.2
73.06566	0.2
73.08498	0.9
79.07436	0.2
81.03422	0.3
83.04980	6.8
83.08604	0.3
84.04488	0.2
84.08146	4.1
85.06546	0.5
86.06049	0.2
87.04486	0.9
89.02409	0.6
89.06028	1.0
97.02887	0.3
98.97584	2.3
99.04444	0.5
101.00881	2.9
101.06020	2.1
103.00723	0.2
103.02451	0.9
111.04445	10.0
113.06013	1.2
114.09136	0.3
116.07089	0.4
116.98646	1.3
118.08665	2.9
119.01928	5.9
119.02802	0.3
120.02055	0.3
121.03510	0.4
121.06487	0.2
127.02403	0.2
127.07563	1.3
129.05487	1.6
129.10255	0.6
130.08649	0.6
131.01942	0.8
133.03493	0.5
134.99689	0.3
137.02979	1.3
137.06004	0.4
144.98083	0.4
145.03462	5.5
146.03667	0.5
147.01416	0.4
147.11292	0.4
155.07030	11.8
156.07428	0.3
162.99173	0.3
163.04526	2.4
171.01515	0.2
171.14890	1.1
173.02986	0.3
173.08121	6.1
174.99162	0.3
176.04237	0.3
189.02444	1.5
191.04074	0.5
193.00293	0.4
194.05209	1.0
199.00914	0.2
199.09669	0.8
207.03592	0.9
213.41141	0.2
216.98769	0.4
217.01971	0.4
217.08899	0.4
217.10765	6.0
217.15352	2.2
218.11046	0.3
234.99687	0.4
236.06467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	1.2
55.05511	15.7
56.05032	2.2
56.05838	1.9
57.03424	3.7
57.07053	1.0
58.06605	5.1
59.05012	0.8
67.05499	6.5
69.07069	9.6
69.53642	3.8
70.06590	25.9
71.04982	1.9
72.08160	9.7
73.08475	0.9
79.05492	5.7
80.12439	0.8
81.07055	24.7
83.04973	4.0
83.08611	4.6
83.46925	0.8
84.05309	2.2
84.08147	5.6
85.06537	2.4
86.09697	5.1
87.10038	1.5
91.05463	4.3
93.07040	3.5
95.08598	12.3
97.06523	1.3
97.10160	2.4
99.08113	1.1
100.07596	0.8
101.05982	0.9
103.05466	1.1
105.07031	8.5
107.08576	2.4
109.06494	1.5
109.10161	0.8
111.04415	2.2
112.04766	4.3
113.06017	1.0
119.08630	4.8
119.09309	1.1
120.08102	21.5
121.10136	7.2
123.08025	1.9
123.11694	8.5
126.09187	1.1
127.07561	2.0
133.10178	0.8
135.11705	1.4
137.03400	0.7
137.13217	3.0
147.11673	15.6
154.15817	2.0
155.07076	1.2
156.07353	6.9
160.87553	0.9
164.14349	1.3
165.12766	7.0
173.08040	1.1
174.08435	4.2
182.15401	100.0
183.13841	1.8
183.15700	2.4
200.16451	83.0
201.14909	2.2
201.16716	1.2
203.14362	1.8
207.85544	0.9
218.11108	4.1
218.17509	25.9
219.17480	4.2
222.71492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11564	41.4
66.55563	37.3
70.65553	100.0
74.59922	36.1
76.17690	36.1
84.20094	46.2
87.06594	42.3
96.37328	41.4
98.97602	98.7
115.84478	46.4
116.98610	46.7
126.17934	38.1
130.08932	41.2
170.92728	42.6
173.34521	50.1
218.30603	44.3
219.02582	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
56.96559	0.8
57.03429	1.9
67.05511	0.7
69.02761	1.6
69.03177	3.0
70.85744	0.7
75.35513	0.5
91.05479	11.6
103.05476	3.6
105.07034	0.9
106.65208	0.5
110.34731	0.6
115.05458	11.2
116.06240	3.7
117.07058	4.0
119.04940	0.6
128.06232	11.3
129.07018	44.7
130.07832	4.0
131.04939	8.8
131.08577	40.5
132.05656	0.7
133.10138	1.0
137.05943	4.0
141.06995	41.0
142.07600	0.7
143.04918	2.8
143.08582	2.5
144.05696	7.2
145.06487	9.0
146.07277	6.5
147.08083	0.8
148.05211	1.7
151.07520	1.1
153.07051	0.8
155.06021	1.5
156.05701	1.1
157.05215	1.1
157.06497	24.5
158.07286	23.9
159.04462	4.6
159.08069	29.5
160.05222	5.8
161.05943	1.7
161.09648	5.1
162.06725	0.7
163.07579	1.6
168.05713	0.8
169.06477	15.2
169.07614	1.2
170.07274	7.7
171.04367	1.6
171.07957	1.7
172.05162	0.7
173.05989	6.1
173.09605	1.3
174.06775	86.8
175.07520	13.7
176.08272	1.3
183.07990	0.9
185.06046	1.5
186.06766	21.2
187.07387	2.1
188.08279	5.0
189.09116	100.0
190.09441	2.6
191.06993	1.0
191.10681	7.5
201.09117	40.5
202.09505	1.1
203.14288	1.8
219.10173	93.6
219.17380	6.6
220.10535	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	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.28759	0.4
60.04528	100.0
60.58329	0.5
61.04874	0.9
63.82373	0.5
70.02952	0.8
70.34683	0.4
70.77965	0.7
72.04514	0.7
72.08153	0.9
77.74326	0.5
85.06548	0.8
86.09708	74.4
87.05602	3.9
87.10086	0.8
98.97600	2.3
116.98639	0.6
119.09729	0.5
128.10741	2.5
132.10211	48.4
133.10532	0.7
136.58060	0.5
145.06526	0.6
172.09631	0.6
173.12872	23.1
178.96089	0.5
201.12318	4.0
203.14247	1.1
219.13428	7.8
219.17461	3.0
219.19180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03942	1.6
55.05510	5.6
56.96572	4.7
57.04687	0.5
57.07076	0.6
67.05524	1.1
69.07062	0.8
69.86951	1.5
79.05482	6.1
81.07066	1.7
83.04980	44.0
88.43407	0.5
91.05482	4.5
91.05978	0.8
93.07041	25.0
94.07394	0.5
95.08601	1.1
105.07024	6.3
107.08596	1.5
109.10127	0.8
117.06995	0.7
119.08588	4.9
121.10141	100.0
122.10474	2.2
123.08044	0.8
133.10136	1.0
135.08061	0.6
145.10112	1.9
154.93196	2.1
159.11584	0.8
161.09573	0.6
170.10815	0.5
172.94244	5.6
184.40982	0.5
190.95262	5.0
195.95892	0.8
201.16440	0.7
203.14342	5.5
205.15857	1.3
208.88933	0.5
213.96889	1.8
219.13855	1.5
219.17426	19.1
220.17799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84453	0.2
56.52451	0.2
62.95312	0.2
69.76366	0.4
69.77882	0.2
72.08132	0.4
87.09539	0.2
95.04968	0.2
104.04971	0.2
105.03400	1.0
120.08112	0.6
121.06490	0.2
121.08437	0.7
131.56322	0.2
132.04454	3.2
133.02853	0.5
136.06175	1.1
136.07365	0.2
150.05508	1.8
160.03877	1.0
177.43784	0.2
178.04990	100.0
179.05339	2.8
180.05365	0.3
202.10808	0.2
204.14682	0.3
205.15860	0.9
206.04482	21.1
207.04837	0.8
220.06052	24.7
220.11945	0.6
220.17862	0.6
221.06326	0.9
221.11653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99761	0.6
55.01867	1.4
55.05510	2.1
56.01386	0.9
57.07074	6.5
57.51490	0.5
57.66233	0.5
59.05001	5.9
60.04512	1.0
61.02923	0.6
66.64860	0.6
67.05510	5.9
69.07075	6.1
70.02956	7.4
70.06568	0.8
70.06886	1.7
72.04518	17.2
72.08158	0.6
73.02931	3.9
74.02437	1.0
75.04492	0.6
81.07059	1.1
83.04987	0.8
85.06067	1.1
85.06544	13.3
86.09703	2.1
87.08135	1.5
90.05554	100.0
91.05473	2.4
95.04963	7.8
96.08109	2.8
98.02415	18.6
100.03984	1.6
103.07587	8.4
112.07536	0.8
113.05999	3.3
116.03452	14.8
124.07590	21.2
130.08667	0.9
131.07030	1.1
142.08624	7.2
144.02803	0.6
145.10190	0.6
148.28365	0.6
156.10156	1.2
160.09647	1.7
164.03426	0.7
166.08620	2.4
174.11259	2.2
177.12750	1.3
184.09702	20.6
202.10745	27.3
203.11079	1.1
204.14578	1.1
205.15895	6.8
220.10130	0.8
220.11798	20.6
220.17938	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01872	1.3
55.05515	1.5
56.01366	0.6
56.56357	0.6
56.96563	0.8
57.07076	8.0
59.05001	5.4
60.04510	0.8
67.05504	7.5
69.07076	4.6
69.27828	0.6
70.02953	7.7
70.06592	0.8
70.89333	0.5
71.20103	1.0
72.04520	16.7
72.08143	1.2
73.02917	3.6
74.02430	1.5
79.05487	0.8
83.04981	1.4
85.06547	12.9
86.09708	2.6
87.08102	1.9
90.05554	100.0
91.05443	1.6
91.05950	0.8
95.04971	8.3
96.08134	2.6
98.02415	18.1
100.03957	2.9
101.07117	0.7
103.07586	6.9
105.07056	0.7
110.07162	1.0
113.06005	4.3
113.33887	0.7
115.23988	0.6
116.03462	15.5
119.60930	0.6
124.07592	19.1
131.07060	1.3
132.10248	0.8
142.08633	7.9
142.67148	0.6
148.06238	0.7
156.10182	1.1
160.09720	2.5
166.08661	2.6
174.09108	1.0
174.11263	2.0
175.08737	1.0
177.07730	0.6
184.09698	18.4
185.10001	0.8
202.10744	27.9
204.05185	0.7
204.14638	1.0
205.15875	10.4
220.11816	25.9
220.17873	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	220.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16306	2.2
52.31194	2.0
55.05513	19.9
56.05046	2.7
57.03439	13.4
57.07071	8.2
58.06601	28.8
59.04995	5.7
67.05508	81.1
69.07084	10.1
69.59079	9.7
70.06588	26.6
71.04995	12.3
72.04541	2.2
72.08148	5.5
74.06101	10.1
79.05487	8.0
81.07060	33.9
82.06558	3.9
83.08613	7.3
84.08147	5.4
85.06551	9.8
85.69653	2.0
86.36929	2.1
90.05551	2.9
91.05475	3.9
93.07059	12.2
95.08611	10.9
95.09161	1.9
97.06522	6.4
97.10172	2.5
107.08601	12.4
109.10152	42.2
113.09733	2.3
120.08119	3.9
121.06489	3.1
121.08460	3.7
121.10144	3.5
123.11729	3.4
124.07612	2.2
124.12582	2.1
126.99657	1.9
130.06584	3.8
145.10155	4.8
149.13257	4.9
158.06020	4.0
166.15926	3.7
174.09103	3.5
175.08675	4.4
177.12767	5.0
184.16971	92.2
202.18022	36.8
203.18468	2.4
204.14716	7.3
204.75867	2.2
205.15895	58.2
206.16293	3.0
220.09624	2.7
220.19231	100.0
221.09264	5.9
221.19394	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	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.97958	0.4
58.30293	0.4
70.43416	0.7
82.02915	1.2
85.88931	0.4
94.06567	4.1
104.04980	0.7
107.71883	0.4
115.05448	0.5
120.08092	0.7
126.97235	0.4
130.06529	49.7
131.06871	1.1
132.04454	38.5
133.04811	0.7
135.54549	0.4
139.95609	0.4
147.09138	0.9
148.07492	0.7
156.06813	0.6
157.06294	0.7
157.07617	21.4
158.06012	73.3
159.06349	1.9
175.08669	100.0
176.07098	1.7
176.09085	2.2
186.05534	1.6
203.08160	1.7
204.06503	3.9
206.16159	0.8
212.06281	0.4
221.09225	19.6
221.18575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.32865	0.6
56.96542	1.1
67.05489	0.8
69.71046	2.6
70.02946	0.7
70.06568	1.8
71.04970	0.6
72.08146	1.4
73.04785	0.9
79.07699	0.7
81.07023	1.3
82.02905	2.0
90.05534	2.5
91.05868	1.4
94.06586	4.7
95.08572	0.7
98.97578	0.8
100.02448	1.4
103.05449	0.9
105.07004	0.9
107.08520	0.6
110.07149	0.9
114.00967	0.6
118.03510	1.4
119.01949	1.3
119.08554	1.2
120.08082	1.4
121.06473	0.9
125.07906	0.6
128.03198	0.6
130.06531	70.6
131.06865	1.3
132.04453	43.9
133.04741	1.4
134.99585	0.7
136.04579	1.1
136.07547	1.7
138.96333	0.6
147.09093	0.6
147.11574	0.7
148.07558	2.8
149.06563	0.6
154.29062	0.5
156.97504	8.0
157.07620	33.2
158.06013	83.9
159.06326	2.0
174.98547	9.4
175.08675	100.0
176.07056	3.1
176.08978	2.5
178.13011	0.7
179.00742	0.9
185.07092	1.0
186.05421	2.9
198.00130	1.7
198.98497	2.1
203.08192	8.9
203.11081	1.2
204.06587	5.1
206.16255	5.1
216.00945	1.2
216.99576	4.2
221.01387	2.3
221.09242	19.8
221.12357	2.7
221.15613	0.9
221.18489	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	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
55.01871	3.5
55.05522	5.7
56.05033	1.9
61.49664	1.4
67.05495	6.0
69.03423	13.6
69.07079	3.5
71.05000	1.5
71.30058	1.8
75.65110	1.5
79.05502	6.2
81.03457	1.7
81.07053	7.6
83.04974	4.3
85.02910	2.0
91.05471	17.4
91.05926	1.5
93.07037	7.1
95.04967	3.4
95.08614	5.2
97.02876	2.8
97.06539	1.9
103.05431	1.5
104.05104	1.4
105.07027	36.0
107.08596	14.2
109.06538	4.8
109.10144	2.0
115.05479	4.3
116.06203	2.5
117.06985	8.1
117.76025	1.3
119.04956	3.3
119.08582	43.4
120.08113	4.1
121.06520	5.4
121.10161	5.1
123.04401	2.3
123.08064	5.9
125.09649	6.0
128.06200	2.0
129.06970	7.7
130.06551	1.9
131.08578	12.3
133.06526	6.2
133.10127	85.3
134.10497	2.4
135.08051	26.5
135.11621	1.8
136.07576	3.1
137.06003	6.5
137.09691	3.5
141.07007	3.5
142.07780	15.8
143.08574	4.9
145.06487	16.0
145.10141	9.1
146.07265	12.9
147.08049	5.6
147.11681	32.9
149.02345	9.8
149.09589	8.0
151.07599	3.5
151.11179	2.0
152.08385	2.6
153.09113	8.8
157.10121	16.2
158.06020	2.6
159.08064	25.3
160.08841	35.8
161.09618	100.0
161.13235	3.3
162.06543	1.6
162.10007	5.5
163.07533	2.5
163.11165	1.8
165.09134	12.1
165.12726	1.7
173.09637	4.3
174.10374	3.3
175.11171	60.3
176.11629	2.3
177.09116	2.9
179.10687	8.9
185.09715	4.7
188.08350	2.7
191.10666	4.6
193.12274	4.9
198.73134	1.6
203.10666	41.9
206.16187	3.3
221.11639	18.2
221.15367	5.3
221.18315	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	222.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.3
60.08167	5.4
61.02911	0.7
70.50503	1.9
71.07372	2.6
74.02695	0.8
86.09216	1.5
86.09706	18.9
94.06576	12.1
94.92995	0.9
98.97599	1.2
104.10745	100.0
105.10436	1.6
105.11073	14.8
119.01797	0.9
127.32139	1.0
128.02345	1.1
162.94612	17.1
162.95872	0.9
175.83430	0.9
180.03065	1.0
196.56572	1.0
198.04327	1.1
222.01967	83.6
222.98769	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	222.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.3
60.08167	5.4
61.02911	0.7
70.50503	1.9
71.07372	2.6
74.02695	0.8
86.09216	1.5
86.09706	18.9
94.06576	12.1
94.92995	0.9
98.97599	1.2
104.10745	100.0
105.10436	1.6
105.11073	14.8
119.01797	0.9
127.32139	1.0
128.02345	1.1
162.94612	17.1
162.95872	0.9
175.83430	0.9
180.03065	1.0
196.56572	1.0
198.04327	1.1
222.01967	83.6
222.98769	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	222.0762
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
54.43006	0.3
56.83606	0.4
69.07053	0.4
70.06602	1.1
71.06271	0.4
75.94222	0.3
77.03938	0.4
79.05490	0.5
84.08141	0.9
93.07026	0.5
96.51186	0.4
100.11404	0.4
103.05453	0.9
104.05005	0.8
106.06570	0.8
106.11700	0.4
118.06566	0.9
119.07388	0.3
120.08109	12.4
130.06531	100.0
131.06862	2.5
132.04454	18.5
146.06056	0.6
148.07573	26.1
149.02374	1.1
149.07899	0.8
158.06017	31.3
159.06418	1.0
172.97792	0.3
176.07074	81.6
177.07446	2.2
178.18253	0.4
204.06572	1.9
222.07664	6.0
222.11237	0.7
222.15167	0.4
225.04297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03162	1.0
53.69671	1.0
54.57165	0.9
55.05520	1.0
55.91485	0.8
57.07086	1.2
70.06589	3.8
70.17265	2.8
72.23431	0.8
79.05530	0.9
93.07015	2.1
98.23316	1.1
104.04997	1.0
111.04578	0.8
120.08099	10.9
121.06525	1.6
123.80261	0.9
125.09727	1.5
130.06526	100.0
131.06876	2.5
132.04456	15.9
139.09877	1.0
145.06456	1.0
148.07568	26.9
149.02365	3.0
149.07945	1.2
149.09633	1.2
155.55617	1.0
158.06017	29.8
176.07068	80.1
177.07475	2.3
195.08818	1.0
204.06482	2.1
205.08626	1.1
222.07597	5.7
222.11076	1.1
222.15132	0.9
223.13289	1.3
225.04430	1.0
230.15901	0.9
238.62483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1077
Annotation	Phe-gly
Peak:m/z	Relative Intensity
54.87486	0.2
62.97464	0.2
69.31180	0.5
69.31597	1.0
74.70193	0.2
77.03927	0.2
93.07056	1.1
94.18281	0.2
103.05475	3.7
107.04950	1.0
120.08102	100.0
121.08442	1.9
131.04930	1.6
141.39664	0.2
148.07646	0.2
149.05975	1.4
149.34113	0.2
166.08630	25.6
167.08986	0.7
177.10229	8.3
178.10432	0.2
180.53529	0.2
223.10793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03931	8.2
55.01865	8.4
55.05510	11.2
57.03429	2.6
57.07053	4.2
59.05008	9.2
65.03920	5.0
67.05503	16.4
69.03419	16.1
69.07071	9.2
69.41147	11.2
69.42227	1.5
70.06569	4.0
71.04993	2.6
77.03944	2.6
77.94381	1.8
79.05494	22.8
81.03397	4.4
81.07049	13.7
83.04980	26.2
83.08595	4.0
84.08128	4.1
85.02890	4.2
85.06518	3.5
86.09693	4.5
87.04443	1.7
89.98192	2.2
91.05473	47.0
93.07040	100.0
95.01329	3.0
95.04967	20.9
95.08593	12.9
97.02909	2.4
97.06499	7.2
99.04395	3.4
101.06003	1.9
103.05469	8.6
105.03371	3.6
105.04508	3.4
105.06296	2.0
105.07020	34.9
107.04951	5.9
107.08581	37.0
109.02850	1.9
109.06509	19.2
109.10120	8.1
110.07154	4.8
111.04435	1.7
111.08079	7.2
113.05975	6.2
115.05438	4.1
116.94407	1.6
117.07009	14.8
119.04929	3.9
119.08568	26.5
120.08094	36.5
121.02881	1.9
121.06503	98.5
121.08353	3.3
121.10133	32.9
123.00826	2.1
123.04383	2.2
123.08037	6.6
125.09605	4.9
127.07534	6.8
129.06999	9.9
129.10205	3.1
130.06497	3.8
130.07748	3.5
131.04875	5.1
131.06908	11.7
131.08543	18.0
133.06454	5.6
133.10143	8.9
135.08076	11.9
135.11700	10.8
137.09639	9.0
139.03896	2.6
139.07545	17.1
139.11147	3.2
142.07742	5.6
143.08525	3.8
144.09337	6.5
145.06462	6.0
145.10101	18.4
147.08014	7.9
147.11670	5.0
149.02286	7.2
149.05928	7.3
149.07851	3.3
149.09615	82.2
149.13258	4.3
151.03940	2.0
151.07542	2.8
151.11119	1.8
153.09100	17.2
157.08832	3.2
157.10103	18.2
159.06348	4.0
159.08034	4.2
159.10417	2.0
159.11693	28.3
161.05966	2.2
161.09601	10.3
163.07498	5.1
163.11142	12.6
165.09084	4.2
166.08620	3.5
167.06978	1.9
169.10159	2.7
172.08836	10.1
173.63600	1.6
175.11177	32.8
177.07434	12.5
177.08760	2.3
177.12727	15.9
179.10638	6.7
187.11171	31.9
193.12190	5.1
195.02858	2.4
199.02318	9.0
205.12178	33.1
213.03900	4.2
223.07483	5.8
223.11055	4.2
223.13263	71.2
225.04372	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	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01868	1.7
55.05509	1.6
57.03442	1.4
57.18114	1.4
59.04992	6.4
60.73857	1.4
65.03939	2.5
67.05495	2.9
69.03432	9.1
69.07081	2.9
70.67038	3.3
74.58883	1.4
76.83678	1.3
79.05495	7.6
81.03394	1.6
81.07055	6.9
83.04978	5.9
87.04461	1.9
91.05481	27.7
93.07040	22.6
95.04963	5.2
95.08607	3.0
97.06493	2.8
103.05488	2.6
105.03384	7.5
105.07032	26.4
107.04927	4.5
107.08607	11.6
109.06530	13.6
109.10175	3.4
113.06021	1.7
115.05428	2.9
117.07045	7.5
119.04935	5.6
119.08583	10.4
120.08079	2.0
121.06499	30.4
121.10125	20.6
122.07300	1.6
123.08012	3.0
129.07004	13.3
130.07806	2.1
131.04918	4.1
131.08569	16.6
133.06456	4.7
133.10103	5.4
135.08058	6.3
135.11671	4.2
137.09589	6.2
139.07516	5.5
141.06975	2.2
142.07776	16.4
143.08568	2.0
144.09326	3.7
145.06537	8.0
145.10139	12.7
147.08083	4.4
147.11671	3.1
149.05957	4.2
149.09624	100.0
150.09993	2.4
157.06459	1.7
157.10124	32.5
159.08012	3.3
159.11678	17.4
161.09601	3.4
163.11148	7.1
169.10184	2.6
172.08856	16.9
175.11179	62.5
176.11485	2.6
177.12746	4.8
187.11186	59.6
193.12253	4.3
205.12248	11.6
223.13290	85.3
224.13638	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.42137	1.7
52.86537	1.3
53.03940	2.5
55.01874	6.7
55.05505	10.4
57.03430	7.5
57.07069	2.2
59.04989	2.5
63.91391	1.7
65.03930	2.9
67.05502	15.4
67.62719	1.4
69.03427	9.9
69.07058	5.7
69.30724	7.4
69.31155	2.6
71.04987	3.1
78.24063	1.5
79.05501	14.1
81.03416	4.6
81.07063	15.3
83.01366	2.0
83.04985	14.4
83.08614	1.6
85.02913	8.0
85.06557	1.9
87.04461	3.4
91.05473	26.2
93.07047	29.8
95.04958	12.5
95.08614	11.4
97.02885	2.1
97.06519	5.0
98.23354	1.5
99.04420	2.2
101.25121	1.2
103.05479	3.8
105.03324	1.5
105.07027	26.5
107.04952	7.7
107.08600	23.4
109.06524	22.9
109.10168	11.5
109.97343	1.5
111.04403	2.7
111.08101	5.0
113.06004	1.4
113.64586	1.3
115.05476	2.1
117.07006	11.7
119.04959	2.7
119.06120	3.0
119.08581	20.9
120.08085	2.9
121.06507	22.9
121.10139	16.0
122.07301	2.7
123.04414	2.2
123.08037	5.8
125.05960	2.7
125.09665	1.7
129.06992	5.2
130.07712	2.2
131.04912	2.0
131.08548	9.0
133.06490	2.8
133.10126	19.9
135.08063	10.0
135.11679	5.7
137.06017	7.2
137.09612	45.3
139.07523	12.9
142.07809	2.9
143.08611	2.4
144.09344	5.4
145.06496	3.6
145.10144	11.8
146.07254	2.6
147.08049	6.3
147.11662	3.8
149.02303	1.4
149.05989	13.0
149.09604	8.1
149.13219	4.8
157.10127	5.0
159.08012	1.9
159.11678	22.7
161.09610	28.8
163.07515	3.4
163.11177	11.0
165.09146	4.1
167.07037	2.4
172.08879	4.9
175.11166	25.8
177.09100	1.4
177.12769	13.6
179.10666	20.6
187.11215	6.8
193.12219	2.6
205.12224	25.1
205.68285	1.4
223.13289	100.0
224.13649	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	223.133
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03938	1.5
55.01869	2.9
55.05511	5.9
57.03419	1.0
57.07070	1.3
59.05002	3.2
65.03939	3.8
67.05504	8.4
69.03429	24.2
69.05872	1.8
69.06294	3.4
69.07066	2.6
73.69481	0.6
77.03951	0.7
77.75385	0.6
79.05489	7.2
81.03412	1.9
81.07055	14.6
83.04980	8.4
83.08621	1.1
85.02890	2.2
87.04471	31.5
91.05482	25.1
92.05824	0.8
93.07045	21.2
93.07630	1.2
94.04150	1.9
95.04973	7.4
95.08603	4.2
97.06539	1.8
98.77234	0.6
101.02377	3.8
103.05475	1.9
105.07024	9.8
107.04983	3.6
107.08598	8.0
109.00870	0.7
109.06519	53.8
109.10152	9.4
110.07295	2.5
111.04430	1.7
111.08067	2.1
115.05476	0.6
117.07030	4.2
117.69902	0.7
119.06084	5.7
119.08587	8.5
120.08914	0.7
121.06508	55.9
121.10135	8.2
122.07307	11.6
123.08070	2.8
123.11703	1.2
125.05990	2.8
125.09660	1.0
129.06972	1.3
131.08549	2.2
133.10097	2.1
135.08055	4.2
135.11661	2.4
137.09615	100.0
138.09921	2.5
139.03900	2.9
139.07535	2.8
139.11201	1.0
144.09311	1.5
145.10143	2.7
147.08063	2.3
147.11671	0.8
149.05995	7.3
149.09627	7.6
157.10068	1.4
158.34131	0.6
159.11693	5.2
160.77422	0.8
163.07574	2.4
163.11191	6.4
165.12788	1.4
172.08772	1.2
175.11156	1.6
177.12747	5.2
181.12317	1.5
187.11177	2.7
205.12216	3.4
223.13293	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	223.1327
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03946	7.6
55.01873	11.5
55.05515	35.4
55.09033	3.2
57.03440	9.5
57.68350	3.1
58.46029	3.5
67.05503	26.9
69.03432	20.2
69.07093	19.0
69.53576	17.9
70.06582	4.7
71.05003	7.9
73.59075	3.8
77.34399	3.3
79.05491	34.3
81.07063	45.2
83.04989	24.7
83.08640	6.4
85.02908	11.0
91.05494	31.0
93.07050	46.5
95.04971	55.3
95.08609	32.7
97.02889	8.0
97.06538	39.8
98.25362	3.8
99.04461	11.7
101.02397	15.4
105.07026	59.1
107.04947	18.5
107.07945	6.3
107.08591	58.3
109.06525	41.4
109.10144	23.2
110.92120	3.5
111.04453	7.2
111.08086	100.0
112.08497	3.5
113.02334	3.7
113.06021	4.0
115.05444	3.9
116.06224	4.2
117.07026	20.1
119.08585	51.4
120.08099	4.4
121.02889	3.9
121.06506	39.0
121.10142	53.1
123.04421	4.7
123.08087	37.2
123.11706	13.5
125.06023	25.6
125.09618	3.4
127.07567	7.2
128.06204	4.5
129.07011	12.1
130.07854	6.3
131.08598	26.9
133.06497	4.1
133.07549	3.6
133.10136	53.6
135.04439	25.0
135.08075	34.5
135.11725	24.0
137.05939	5.3
137.09613	18.9
138.10387	11.9
139.07567	11.4
142.07788	15.9
143.08630	4.8
144.09346	15.1
145.06540	9.4
145.10135	38.3
147.08057	12.4
147.11707	17.4
149.02357	16.0
149.06009	9.6
149.09647	39.9
149.13223	6.4
151.11159	4.4
157.10147	16.7
159.08063	6.0
159.11714	50.7
161.09608	6.0
162.06749	8.5
162.10429	6.6
163.07570	8.3
163.11191	50.2
165.12802	7.8
167.07098	18.3
169.10182	5.2
172.08868	12.6
175.11166	30.8
177.09154	19.3
177.12714	39.7
178.13158	4.1
181.08632	4.8
181.12216	4.1
187.11211	34.9
200.29170	3.6
205.12244	59.5
220.51396	3.5
223.11084	8.1
223.13254	94.6
223.16769	6.5
223.20532	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03945	12.0
55.01868	5.6
55.05524	7.9
57.07089	10.3
59.04986	7.2
60.04531	33.9
61.45459	4.9
65.03954	6.1
67.05512	15.9
69.03437	15.0
69.07070	8.5
69.37493	33.1
70.06598	22.5
79.05503	15.7
81.07063	12.5
83.04982	23.0
83.08599	7.9
84.08160	11.7
88.03985	10.6
88.08779	5.1
91.05486	100.0
93.07053	83.8
94.91804	5.0
95.04976	19.5
95.08630	15.3
97.06521	7.7
103.05467	8.6
105.07014	25.8
106.05038	33.0
107.05010	5.9
107.08624	26.3
108.47655	6.2
109.06528	16.9
109.10209	13.2
111.08051	6.2
117.07036	24.4
119.08582	14.6
120.22205	5.4
121.02888	9.1
121.06520	88.3
121.08469	7.8
121.10172	32.5
130.06538	9.9
131.04951	13.2
131.06888	58.3
131.08578	16.4
133.04825	9.5
133.10147	14.0
135.08084	6.3
135.11697	9.1
137.06049	5.4
137.09634	6.0
139.07562	9.2
144.09351	5.9
145.06470	18.1
145.10150	17.7
147.08076	9.3
149.02365	59.3
149.07939	21.2
149.09639	78.2
153.09132	14.3
157.10168	13.0
159.06393	14.6
159.11745	23.3
161.09665	9.0
163.07544	20.0
163.11240	17.7
172.08766	10.6
175.11197	29.6
176.07057	7.7
177.07431	50.4
177.09113	14.6
177.12807	9.4
179.10635	7.4
187.11229	35.2
193.12148	7.4
205.08556	9.8
205.12209	25.8
223.07867	6.8
223.10983	18.5
223.13333	57.5
223.16856	6.7
224.09181	7.3
225.04295	41.7
227.02289	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03953	3.3
55.01869	3.2
55.05507	6.4
57.03438	1.4
57.07073	2.3
59.05000	3.3
65.03938	4.6
67.05508	9.9
69.03433	23.9
69.07065	2.3
70.06590	1.5
71.04994	1.0
71.29642	0.6
71.33683	0.7
79.05492	8.6
81.03430	1.9
81.07058	17.7
83.04974	9.5
83.08640	1.2
85.02910	2.7
87.04469	27.2
91.05482	25.7
93.07052	22.0
95.04967	10.5
95.08605	5.0
97.02885	0.9
97.06546	1.6
101.02383	2.5
103.05470	2.9
105.07025	11.0
107.04939	3.7
107.08591	10.7
109.06525	57.8
109.10159	10.3
110.07267	2.4
111.04475	0.8
111.08074	4.8
113.06070	1.1
117.07013	4.0
119.06075	5.7
119.08588	9.6
120.08120	8.7
121.06512	55.4
121.10147	8.1
122.07317	10.7
123.08083	3.2
123.11716	1.2
125.05985	3.2
125.09608	1.1
129.07016	2.2
131.08572	3.0
133.10121	4.2
135.04419	1.0
135.08069	5.4
135.11708	4.5
137.09618	100.0
138.09932	0.9
139.03918	2.1
139.07507	3.8
142.07819	1.0
144.09348	1.9
145.06537	1.6
145.10159	3.9
147.08073	2.4
147.11664	1.3
149.02357	2.4
149.05995	7.6
149.09613	9.7
157.10042	1.2
159.11668	6.2
161.09653	1.9
163.07545	2.7
163.11160	8.5
172.08807	1.8
175.11220	2.8
177.12775	8.3
187.11211	4.0
193.12294	1.0
195.06601	0.9
205.12199	4.4
223.13307	13.9
223.16818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76694	33.3
70.11813	8.8
74.01965	7.5
86.09708	24.6
94.93023	28.4
98.22656	14.3
119.81044	7.4
152.53001	9.8
164.94383	16.3
215.80150	8.7
223.97205	100.0
223.99284	19.7
224.01555	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	1.4
56.96566	100.0
60.04521	0.5
60.05651	0.6
64.82251	0.4
69.03416	0.6
69.07081	0.7
70.06603	3.5
71.05004	0.9
71.28790	0.6
71.95261	3.5
72.08171	2.9
72.96046	3.7
74.06076	1.2
74.97626	1.4
81.03428	0.6
81.07065	0.4
84.04523	0.7
84.08142	7.0
84.96030	3.0
86.09725	2.4
91.05479	0.9
95.06112	0.6
97.96836	1.1
97.99178	0.5
98.97588	1.6
105.89803	0.5
110.07175	1.2
112.08719	0.4
116.00235	1.0
116.98653	0.9
119.01918	0.7
119.04867	0.5
120.08150	1.3
121.08445	1.4
129.10220	2.1
134.01227	1.1
136.06212	1.0
136.07556	0.8
136.99144	1.0
137.05989	1.3
139.00658	3.2
155.00150	5.3
157.01721	6.5
164.07060	14.4
164.98688	0.8
173.01225	13.7
175.02792	37.5
175.11864	0.4
176.03166	0.5
178.08789	0.6
182.99643	9.9
183.01149	0.7
191.02286	4.5
193.03845	22.4
198.04515	0.9
201.00713	38.1
202.01050	0.6
219.01764	39.2
224.02383	1.2
224.09340	1.9
224.13066	0.5
224.16306	0.6
226.04340	1.0
237.02910	2.0
242.03377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73361	0.6
57.27984	0.4
60.04527	56.6
61.67303	0.5
65.03918	0.6
67.10984	0.5
69.47543	2.3
69.47950	1.0
70.02951	1.9
84.58545	0.5
88.03994	31.0
91.05482	100.0
92.05827	2.1
95.04988	0.5
95.29089	0.5
105.46515	0.5
106.05028	74.9
117.65031	0.4
119.04961	0.5
119.29428	0.5
132.08105	1.3
152.85730	0.5
160.07542	1.5
178.08620	1.3
183.61592	0.7
206.08131	3.3
207.06499	1.0
224.09088	1.9
224.30867	0.5
244.55478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91827	0.3
53.02355	0.3
54.91449	0.4
60.04524	57.0
65.03932	1.3
69.03418	0.4
70.02953	2.4
83.73758	0.4
88.03987	27.2
89.91098	0.4
91.05477	100.0
92.05817	1.9
93.07032	0.3
94.07395	0.4
95.04980	0.4
98.22601	1.0
105.07053	0.7
106.05023	68.1
107.05368	0.5
119.04925	0.9
122.06779	0.5
132.08034	0.9
147.11807	0.4
150.09950	0.4
160.07588	1.7
163.11151	0.4
164.07140	0.4
175.03888	1.1
178.08675	1.4
206.08159	3.1
207.06502	2.0
224.09265	0.8
224.13542	0.9
231.80589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93428	1.3
51.02383	1.4
53.03942	2.6
54.28416	1.1
55.01877	2.0
55.05511	1.8
57.07064	1.6
60.04524	11.5
61.04854	2.0
64.26705	1.1
65.03936	3.6
67.05505	1.5
69.07075	1.9
70.06591	2.0
70.58999	2.5
71.04991	1.3
73.46240	1.1
77.03946	1.9
79.05505	1.9
81.07054	5.1
83.04976	1.7
84.04520	8.0
86.09720	6.6
88.04008	5.7
89.03878	1.3
91.05484	70.4
92.05821	16.4
93.07049	2.1
95.04974	7.6
95.08607	3.0
98.09696	2.5
100.07607	1.2
102.92097	1.1
103.05473	5.5
105.03418	2.8
106.05039	12.5
107.05357	4.3
107.08609	1.5
109.06539	1.5
109.10140	1.6
118.04165	6.3
119.04949	58.5
119.08587	1.8
121.02892	2.2
121.06526	2.9
123.04467	6.2
131.04919	2.7
132.02037	3.0
133.02821	2.2
134.05984	1.4
136.05205	1.7
146.03613	1.8
147.04413	51.6
149.02377	8.5
155.07094	2.3
157.03979	5.4
163.03891	1.5
164.04720	7.2
174.03087	1.9
175.03914	84.3
176.04289	2.6
177.01813	3.1
179.07079	5.0
181.08575	1.2
183.06564	1.7
192.04175	26.0
192.05809	2.1
193.04930	6.4
197.12907	3.0
198.14861	2.5
207.06531	100.0
208.06822	2.1
224.79105	1.3
225.04314	3.1
225.07399	2.8
225.14728	1.7
226.14304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03947	1.1
55.01865	1.5
57.07055	1.7
65.03944	5.0
67.05482	2.2
69.03404	0.8
69.10757	1.7
69.11168	4.4
71.04961	1.0
77.03922	1.7
79.05482	2.2
79.71931	0.8
80.06296	0.8
81.07048	8.3
83.04983	0.9
84.92670	0.7
85.02900	55.6
88.21988	0.7
89.03884	1.7
91.05477	65.4
92.05800	1.3
93.07023	2.2
95.04962	6.3
95.08587	2.7
103.05476	3.9
105.03358	1.2
105.07036	1.9
107.04977	0.7
107.08580	3.1
109.06527	1.2
109.10134	4.7
118.04167	6.4
119.04938	67.0
119.08533	2.4
120.05282	1.3
121.02834	1.4
121.06516	1.5
121.10140	4.9
122.03709	0.8
123.04412	3.3
123.11703	38.9
125.05956	4.9
125.09624	1.2
129.03430	1.0
130.58470	0.8
131.04915	1.3
132.02039	3.7
133.02843	1.2
135.04405	1.4
136.05174	2.4
145.02869	1.8
146.03612	1.8
147.04402	53.2
147.11630	1.5
149.02348	9.5
149.05998	1.0
149.09636	3.7
151.07509	0.9
153.05431	1.4
157.03975	7.8
161.00676	0.8
162.03067	0.8
163.03940	1.0
164.04660	6.4
165.05490	0.8
174.03143	1.9
175.03896	94.4
176.04236	2.5
177.01770	2.6
179.07034	6.6
183.06522	2.6
189.12695	1.8
192.04172	30.6
193.04881	3.6
207.06514	100.0
207.13817	6.2
208.06874	2.7
214.35153	0.8
225.07480	1.4
225.14749	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.93428	1.3
51.02383	1.4
53.03942	2.6
54.28416	1.1
55.01877	2.0
55.05511	1.8
57.07064	1.6
60.04524	11.5
61.04854	2.0
64.26705	1.1
65.03936	3.6
67.05505	1.5
69.07075	1.9
70.06591	2.0
70.58999	2.5
71.04991	1.3
73.46240	1.1
77.03946	1.9
79.05505	1.9
81.07054	5.1
83.04976	1.7
84.04520	8.0
86.09720	6.6
88.04008	5.7
89.03878	1.3
91.05484	70.4
92.05821	16.4
93.07049	2.1
95.04974	7.6
95.08607	3.0
98.09696	2.5
100.07607	1.2
102.92097	1.1
103.05473	5.5
105.03418	2.8
106.05039	12.5
107.05357	4.3
107.08609	1.5
109.06539	1.5
109.10140	1.6
118.04165	6.3
119.04949	58.5
119.08587	1.8
121.02892	2.2
121.06526	2.9
123.04467	6.2
131.04919	2.7
132.02037	3.0
133.02821	2.2
134.05984	1.4
136.05205	1.7
146.03613	1.8
147.04413	51.6
149.02377	8.5
155.07094	2.3
157.03979	5.4
163.03891	1.5
164.04720	7.2
174.03087	1.9
175.03914	84.3
176.04289	2.6
177.01813	3.1
179.07079	5.0
181.08575	1.2
183.06564	1.7
192.04175	26.0
192.05809	2.1
193.04930	6.4
197.12907	3.0
198.14861	2.5
207.06531	100.0
208.06822	2.1
224.79105	1.3
225.04314	3.1
225.07399	2.8
225.14728	1.7
226.14304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
53.03946	4.6
54.00066	1.9
55.01856	3.4
55.05519	15.9
60.94749	1.7
67.05508	13.7
69.03423	7.0
69.07063	4.8
69.10387	13.5
69.60246	2.1
71.04989	5.9
79.05483	21.9
81.07057	13.5
82.06613	1.8
83.04987	21.1
87.50222	1.7
91.05485	14.8
93.07049	7.1
95.04971	12.2
95.08630	5.8
97.02908	2.4
97.06535	8.0
99.04456	4.4
105.07038	25.3
107.04952	22.3
107.08591	5.1
109.06531	7.5
109.10162	33.6
111.04456	17.8
117.07025	5.3
119.04954	2.2
119.08591	20.3
121.06530	4.9
121.10194	2.4
123.08058	2.0
125.06004	6.0
128.06229	11.1
129.07021	6.7
133.06462	3.8
133.10130	18.3
135.08038	3.3
137.06073	2.8
137.09618	50.7
143.06958	2.4
143.08566	21.3
145.06508	1.9
145.10193	3.3
146.07339	4.0
147.08051	28.0
148.08829	4.5
151.11169	2.8
159.08054	1.9
161.09622	100.0
162.09941	2.4
163.07434	1.8
163.11215	2.0
165.09122	43.4
165.10457	2.8
171.08058	2.0
174.06873	3.6
179.10689	12.9
189.09128	8.5
197.11794	3.8
207.10191	11.5
225.11174	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
55.89891	0.9
57.07092	1.3
67.04026	1.0
67.05499	4.7
69.03412	1.1
69.07041	1.3
69.33267	7.4
69.33620	1.4
77.05164	1.1
79.05498	1.8
81.07054	17.8
85.02905	100.0
91.05484	7.1
93.07062	2.6
95.04972	1.1
95.08619	4.5
96.77697	1.1
97.06510	1.1
105.07041	3.7
107.08595	4.8
109.10139	8.4
119.04948	4.4
119.08598	2.9
121.10155	9.9
123.08094	1.2
123.11710	64.9
124.12019	1.0
125.06017	5.7
125.09644	1.7
139.11139	1.3
145.10078	1.3
147.04411	2.4
147.11678	3.1
149.09616	7.2
151.07541	2.9
152.22520	1.1
165.12727	2.3
167.54137	1.1
175.03900	5.8
184.25383	1.1
189.12694	2.9
192.04228	1.3
207.06453	5.2
207.13785	11.3
209.52417	1.1
225.14870	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.35337	8.7
55.05509	22.8
57.07081	12.8
61.02917	8.6
64.48887	8.6
64.68299	8.7
67.05511	43.7
69.03424	85.3
69.07069	38.0
79.05492	32.5
81.03428	15.9
81.07039	55.2
83.04999	12.8
83.08641	14.4
87.04476	12.6
91.05479	36.8
93.07032	51.6
95.04979	31.2
95.08619	31.8
97.06541	32.6
105.07034	100.0
107.04996	12.1
107.08605	29.2
109.06533	33.8
109.10177	41.9
111.08057	19.2
117.07035	12.8
119.04955	16.8
119.08587	70.0
120.61737	11.8
121.06537	12.8
121.10152	40.8
123.04412	23.1
123.08074	32.8
133.10118	75.4
137.09587	46.5
139.11218	26.1
145.10123	9.4
147.08025	13.4
147.11678	59.2
149.09644	15.8
151.11151	10.0
156.09372	16.2
159.11641	12.5
161.09615	15.1
161.13261	50.3
163.11205	14.4
171.11757	19.7
189.12737	59.7
207.13823	54.3
217.56462	10.1
225.04279	28.3
225.14915	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01855	4.7
55.05512	15.8
57.03428	2.8
57.07066	7.5
61.02925	4.1
61.51762	2.1
65.03918	2.6
67.05502	34.9
69.02563	20.5
69.03428	100.0
69.07063	23.5
71.04996	13.4
79.05488	24.4
81.03405	6.7
81.07053	57.1
83.04972	11.0
83.08614	7.0
84.08159	2.2
85.02900	3.5
87.04473	3.1
90.60983	1.9
91.05472	24.6
93.07047	28.7
95.04967	22.3
95.08600	29.8
97.02882	3.4
97.06536	13.5
99.04476	10.7
103.05431	3.1
105.03384	2.0
105.07022	69.0
107.04955	5.4
107.08595	23.4
109.06510	36.0
109.10136	15.6
110.07282	3.0
111.08085	11.2
117.07004	3.9
119.04936	10.7
119.08577	43.5
119.25563	2.1
121.06503	9.0
121.10160	32.7
122.07272	5.2
123.04440	16.3
123.08076	20.7
123.11697	6.4
125.09635	4.4
128.06197	3.1
129.07019	2.2
129.16951	2.0
130.07907	2.3
131.08568	5.7
133.06493	20.2
133.10118	68.7
135.08060	6.5
135.11656	6.0
137.05981	5.0
137.09602	53.1
139.11183	21.2
143.08595	4.6
145.10120	6.1
147.04407	4.6
147.08064	11.6
147.11670	51.7
147.12756	4.1
149.09650	11.6
151.07545	10.6
151.11145	9.3
156.09315	8.6
159.08002	3.9
159.11720	8.0
161.09639	5.5
161.13264	20.0
163.11176	11.2
165.05414	3.2
165.12709	6.6
171.11676	14.8
173.09692	2.1
174.10449	10.1
175.03911	9.2
177.12695	3.5
179.14250	3.4
189.12746	30.6
189.60881	3.4
191.14359	2.4
192.04164	2.6
193.04913	2.5
207.06506	7.1
207.13770	32.8
225.12602	4.3
225.14850	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
51.35048	0.5
53.03941	0.6
55.05511	4.9
59.04992	0.6
65.03928	0.9
67.05511	3.5
69.04386	4.7
69.07077	1.1
71.04984	2.6
73.52795	0.5
79.05469	1.0
81.07069	1.0
83.04982	9.9
85.02904	0.8
85.06540	0.8
86.80487	0.5
91.05481	3.0
93.07062	1.1
95.04968	100.0
95.08607	8.0
96.05297	1.5
99.04449	5.7
105.07040	0.7
107.08597	2.0
109.06492	0.9
109.10144	0.9
111.08093	0.7
119.04952	2.0
119.08597	1.7
121.10142	1.3
123.08047	3.1
123.11694	0.8
125.09661	1.1
135.11688	1.1
140.41130	0.5
141.09131	0.5
147.04448	1.4
149.02364	0.7
149.09656	2.2
151.07562	0.6
153.07858	1.1
153.09105	22.3
161.13275	1.6
163.11180	0.8
165.09181	1.0
165.12779	0.8
175.03957	2.2
189.12766	1.9
192.04205	1.5
207.06509	3.2
207.13829	2.1
225.14851	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	225.1849
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
52.74161	0.5
53.03938	1.1
55.05508	10.1
57.03181	0.8
57.03434	5.7
57.07066	2.1
61.21864	0.5
65.03945	0.9
67.05503	23.7
69.03420	2.5
69.07069	8.1
69.28720	1.5
69.29134	3.0
69.40817	0.7
71.04970	1.5
79.05492	6.1
81.07055	22.2
83.04978	1.1
83.08625	5.9
85.02888	1.4
85.06532	1.8
91.05477	4.4
93.07034	6.6
95.04980	3.2
95.08606	26.2
97.06527	3.6
97.10165	3.5
99.08073	1.2
105.07028	3.1
107.08600	6.4
109.06487	0.9
109.10154	11.6
111.08073	2.0
119.08572	2.6
121.10133	2.0
123.11727	3.2
125.09590	0.7
131.08591	0.7
133.10139	3.4
134.09634	1.9
135.11646	1.3
145.10214	0.7
147.11684	2.6
149.13271	0.7
161.13286	0.6
169.10127	0.8
183.11678	0.9
189.16360	1.4
198.35587	0.6
207.17409	1.2
210.12491	0.9
225.14836	4.3
225.18477	100.0
226.15892	7.1
226.18710	2.3
247.79630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15018	0.4
53.03945	0.6
55.05521	0.4
56.96568	100.0
57.03431	0.5
58.99873	2.7
59.82127	0.3
69.03466	0.4
69.07085	0.9
70.06596	3.2
71.95264	5.4
72.08156	1.2
72.96046	3.6
74.97629	0.8
77.00897	1.9
81.03434	1.2
82.99883	0.6
83.06113	1.8
83.97649	0.4
84.04526	1.7
84.08152	2.5
84.96040	5.1
86.09718	1.5
91.05435	0.3
93.04557	1.6
95.01985	0.4
97.06628	0.4
97.96854	0.8
97.99201	0.9
98.97625	1.3
100.11303	0.4
101.00879	10.6
102.97087	0.5
103.02424	0.4
110.07170	15.7
110.97601	0.6
115.02465	0.5
115.97879	1.0
116.00210	0.9
116.07127	1.4
116.98613	0.9
119.01926	37.5
120.02055	1.0
120.99657	0.4
123.03006	0.4
129.10292	1.1
136.99094	1.9
137.02957	12.0
139.00673	7.5
141.03979	2.1
142.03410	0.5
152.07149	0.7
155.00168	8.1
156.03340	6.3
156.07706	2.1
157.01782	9.8
157.03473	2.0
159.04993	3.1
164.98596	3.8
168.03348	1.0
170.05138	0.4
173.01228	17.7
174.04410	6.2
175.02808	25.1
175.04539	1.7
176.03166	0.5
177.06126	2.8
181.10863	0.4
182.99669	30.6
183.05017	2.1
185.02936	2.0
186.04396	7.9
191.02277	4.8
192.05531	1.1
193.03851	13.7
198.99181	0.9
199.04514	4.3
201.00722	45.9
201.06117	1.6
202.01181	0.7
203.03990	3.0
204.05467	5.3
206.01408	0.7
209.03053	0.7
209.10480	0.6
217.00232	0.5
217.05553	2.9
219.01778	12.8
219.03821	0.8
224.02258	0.4
227.03999	5.3
227.05968	0.5
227.07341	0.5
227.11780	0.7
227.14154	1.1
228.05521	0.5
228.15945	2.1
237.02831	0.7
244.99828	1.0
245.05157	3.3
245.07887	0.8
246.06668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55781	9.6
56.96566	16.3
67.30276	11.1
69.12692	100.0
69.13090	19.8
70.06578	11.8
71.45465	10.6
82.97740	11.3
84.04501	13.5
101.00870	19.3
105.40924	12.3
109.35433	11.1
110.07159	51.6
116.07135	13.4
119.01927	47.4
126.47392	13.0
129.11353	14.6
192.52809	13.6
199.04572	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80192	16.6
56.96542	16.2
64.67324	17.2
69.62086	68.9
70.06573	15.3
70.49466	17.2
73.97444	15.1
80.98135	14.9
83.06124	15.4
84.04496	29.4
91.93494	15.0
99.74855	15.5
99.76449	15.2
101.00883	46.0
110.07172	100.0
111.71230	17.0
116.07095	17.6
119.01903	87.3
126.46252	16.9
137.03000	17.4
151.44289	19.3
156.78716	17.2
161.73340	15.3
211.86159	16.1
227.03964	31.7
227.07918	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.42237	7.7
55.01873	24.4
55.05514	44.1
59.03922	7.6
59.69290	7.2
67.05500	49.9
69.03424	11.4
69.07057	25.9
71.05000	12.4
73.02902	7.6
78.80186	7.2
79.05495	45.7
81.07066	49.0
83.04997	14.4
83.08617	30.4
84.08132	11.0
86.09694	16.4
91.05485	19.9
93.07042	76.7
95.04971	10.9
95.08598	88.5
96.51707	6.9
97.02877	12.0
97.06508	10.4
99.08121	7.6
100.11272	63.1
105.07027	22.1
107.04935	18.9
107.08593	55.6
109.06471	11.5
109.10141	19.6
110.07156	12.7
117.07017	15.6
119.08590	16.6
121.06503	22.1
121.10139	23.0
129.06993	10.6
130.07764	8.9
131.08519	7.9
133.10159	9.4
135.11682	79.1
136.18040	7.3
141.06966	17.8
142.07817	19.5
143.08531	27.2
145.10121	47.7
149.07011	9.2
156.09293	11.1
157.10144	29.6
163.11159	100.0
166.07758	14.2
167.07034	30.6
167.08443	7.9
169.06477	9.6
171.11671	26.1
177.05519	8.9
181.10243	14.9
181.12202	26.1
185.09586	9.2
185.13268	11.6
199.11124	21.1
199.14786	8.7
209.09602	11.2
209.16539	12.2
227.10626	88.0
227.12778	97.9
227.14130	12.0
227.14705	15.4
227.17859	33.8
228.10405	12.1
228.23271	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	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01873	33.4
55.05508	7.1
56.48095	1.5
57.03432	2.7
57.07085	3.3
57.77174	1.4
67.05506	15.9
69.03436	5.3
69.07068	19.3
70.06587	1.8
71.05003	4.9
71.28438	1.3
79.05499	10.3
81.07059	8.5
83.04984	3.1
83.08633	4.1
85.06550	17.0
86.09705	2.5
91.05478	6.2
93.07034	13.7
95.04973	6.7
95.08038	2.7
95.08608	23.5
97.06534	18.4
97.91306	1.7
99.04469	5.3
100.11250	25.4
105.07027	13.0
107.08598	34.0
109.06524	9.6
113.06011	4.3
119.08594	5.2
121.06522	6.6
121.10130	12.1
123.08069	10.9
127.07581	2.4
131.08557	1.9
135.11690	7.6
139.32430	1.7
145.10123	7.8
149.09602	4.1
151.07547	12.6
163.11206	18.3
164.28516	1.7
167.10687	7.2
169.08607	100.0
170.08986	2.0
181.12225	10.1
185.11740	1.8
191.10660	7.0
209.11697	3.7
209.16653	3.5
210.14902	2.8
227.12628	4.2
227.17535	6.6
228.23251	2.6
236.27139	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	228.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05513	2.9
56.05060	1.1
56.96567	34.1
58.06621	0.8
58.96172	1.0
58.99871	1.4
59.83647	0.6
60.95856	2.7
67.05536	1.4
69.03455	2.3
69.07066	4.3
69.11381	3.2
69.11781	1.2
70.06593	13.1
70.06950	1.1
71.05003	1.1
71.95275	1.3
72.08158	11.9
74.97639	1.2
78.03083	0.6
79.05523	1.1
81.03436	1.6
81.07074	1.0
82.06602	0.7
83.04993	0.7
83.06122	2.2
84.04521	2.3
84.07639	0.7
84.08146	14.6
84.08613	0.9
84.96026	1.1
85.02930	1.4
85.04027	1.1
85.04836	0.6
85.06557	1.0
86.09713	10.5
86.10234	0.6
87.05600	0.9
93.07040	1.1
94.06587	2.0
95.04994	0.7
96.04514	0.7
96.08139	3.2
97.02906	1.3
97.06525	0.5
97.99176	0.6
98.02431	0.5
98.97598	2.8
99.04463	0.6
101.00912	1.7
102.01012	2.1
102.02236	0.8
102.84948	0.6
105.07073	1.2
107.08625	0.8
108.08111	1.5
109.99207	1.5
110.02432	1.3
110.07155	6.3
110.09721	0.6
111.07524	1.9
112.07617	2.0
113.10767	0.9
116.00169	0.7
116.07061	3.1
116.98643	2.5
119.01935	6.0
120.02010	12.3
120.03300	1.4
120.08148	0.9
121.01695	3.2
122.06055	0.8
122.07160	0.6
124.07595	1.1
126.09167	0.9
127.03912	0.9
128.00197	0.7
129.10248	17.5
134.99713	1.1
137.02951	2.2
137.41707	0.5
138.03114	4.6
138.04250	1.0
138.09149	1.3
139.00735	1.0
139.02759	0.7
140.07074	0.7
141.02200	0.7
141.03972	0.7
141.10226	2.8
142.08598	1.6
144.10242	1.0
155.11833	1.7
156.00607	1.6
156.03323	82.7
157.01741	2.0
157.03610	1.2
158.02116	1.0
158.03616	1.0
159.03308	1.7
159.05051	1.7
160.02834	0.7
160.05226	1.1
164.07037	0.6
164.14378	0.8
166.08643	1.0
168.03317	14.5
168.04781	0.8
168.13771	0.6
173.01222	1.3
174.04399	92.6
175.02789	6.1
175.04643	2.0
176.03203	2.9
176.04565	0.9
177.06110	0.7
178.06131	0.7
179.02107	0.7
179.05745	0.6
182.06566	0.9
182.08090	0.8
182.99635	1.5
183.11266	0.8
184.00027	4.6
185.02940	1.8
185.04526	0.6
186.04391	100.0
187.04749	1.2
191.42151	0.6
192.05421	14.3
192.13838	2.9
193.03857	2.9
194.04280	2.7
197.05994	1.5
200.04369	1.0
200.06180	2.9
200.13945	1.0
201.00676	3.4
202.01045	8.3
202.07681	1.0
203.02223	1.9
203.04028	1.4
204.05461	92.6
204.99887	0.8
205.05769	1.7
208.13638	0.6
209.05949	2.8
210.07678	1.2
210.11168	1.2
210.14865	4.8
211.10846	0.9
211.14450	0.8
218.07083	1.3
219.01767	1.2
220.02098	2.2
221.03259	0.6
222.06499	5.8
223.00996	0.7
227.07063	1.1
228.05557	12.5
228.07782	0.8
228.08708	1.2
228.12413	3.5
228.15895	30.3
228.19530	1.0
228.23174	2.4
229.00130	1.0
229.06255	0.7
229.15375	3.8
246.06621	11.7
247.01254	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	228.1595
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.21668	0.2
53.70180	0.2
55.01859	0.4
55.05508	1.5
56.05021	0.4
56.96561	1.5
58.06594	0.6
60.08125	0.3
67.05508	2.0
68.05013	0.7
69.03401	0.4
69.07066	6.2
70.02950	0.7
70.06590	31.1
71.04993	0.3
71.06900	0.3
71.28651	0.2
71.85820	0.2
72.08151	3.0
79.05497	3.5
80.05015	0.6
81.03416	0.3
81.07053	2.4
82.06572	1.0
83.04982	0.3
83.06091	0.4
84.04501	2.0
84.08139	4.3
85.04025	0.8
86.06073	0.4
86.09704	14.6
87.05607	1.4
87.06061	0.3
87.10006	0.4
88.03955	0.3
90.15498	0.2
91.05486	1.9
93.07044	2.6
94.06560	7.7
95.05000	0.5
95.07344	0.6
95.08586	0.9
96.08124	4.6
97.02847	0.3
97.06528	0.8
97.99133	0.2
98.02400	1.0
98.06046	0.4
98.47506	0.2
98.97569	0.6
105.07027	2.9
107.07338	0.5
107.08594	2.5
108.08115	2.3
109.08919	0.6
109.10138	0.6
110.02386	0.7
110.06065	0.5
110.07134	1.1
110.09688	0.9
111.07518	0.3
112.07575	0.5
112.11240	0.4
113.03462	0.3
113.10779	1.2
116.07091	2.6
116.98605	0.3
119.04955	0.4
119.08585	1.1
120.08115	0.5
121.10123	0.5
122.06023	0.5
122.09646	0.6
123.04413	0.4
124.07578	1.5
125.09635	0.3
129.10222	4.9
131.08548	0.4
133.10133	0.5
134.09653	0.4
135.08044	0.6
136.11208	1.3
138.09157	1.6
141.10202	3.2
142.08679	0.5
143.11780	0.6
147.11639	1.6
148.11195	2.1
155.11786	2.7
156.03387	0.5
157.10138	0.3
164.10687	2.4
164.14352	1.8
166.08614	0.8
170.11714	0.4
174.04382	0.8
174.12721	1.5
182.08200	0.4
182.15457	0.3
183.11246	1.6
183.14961	0.4
186.04382	1.1
190.12329	0.7
192.13820	8.2
193.14030	0.3
194.11803	0.3
200.13913	2.2
201.12395	0.5
204.05453	0.9
208.13306	0.3
210.14882	14.2
211.10791	0.7
211.15103	0.3
228.15935	100.0
228.23152	1.4
229.15654	4.0
246.08412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
55.05491	0.3
57.06626	0.7
57.07076	5.9
58.06593	2.0
59.07402	0.2
60.08165	23.0
61.08491	0.3
64.30657	0.2
67.05515	0.3
69.86140	0.4
69.86527	0.7
71.08630	2.4
82.92927	0.2
85.10173	0.7
95.08620	0.3
109.10089	0.2
158.99715	0.2
228.26862	100.0
229.27197	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	229.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91393	0.4
56.96548	1.3
57.07065	0.3
60.72958	0.3
69.25925	1.2
69.26321	0.5
70.06564	0.3
81.42582	0.4
84.08123	0.8
84.96025	0.9
87.04443	0.5
98.22586	0.5
98.97581	5.3
100.97151	0.4
101.00874	2.6
101.05991	0.4
103.00645	2.5
116.98632	4.3
118.98234	0.4
119.01918	12.0
120.01961	0.9
121.01673	9.3
121.02527	0.7
122.02003	0.4
122.97772	0.4
123.02061	0.4
131.01930	0.6
134.99733	4.4
137.02948	4.1
138.99416	0.3
139.02667	2.7
140.98802	1.9
142.03511	0.3
153.00876	1.5
157.00447	0.3
158.99870	6.5
160.00023	0.5
160.04558	0.4
161.01505	0.6
162.99408	1.5
165.17551	0.3
173.02954	0.4
175.02676	0.5
177.00945	78.8
178.01045	5.4
179.00772	1.9
179.02509	0.8
180.00854	1.0
181.00418	15.3
185.01430	1.1
185.06459	0.4
187.02756	1.6
187.04524	0.8
191.04041	0.4
194.98470	0.5
195.02026	1.1
199.04533	1.0
200.02527	0.9
201.00940	0.6
201.06078	0.9
203.02509	33.8
204.02638	2.3
204.04683	0.3
205.00444	2.7
205.03812	1.1
205.98790	0.5
206.00609	0.8
210.99297	1.6
219.01990	12.7
219.07053	0.9
220.02127	0.9
221.01753	0.7
221.03667	1.3
223.01486	12.4
223.04643	0.6
226.03885	0.4
228.23112	0.6
229.00400	8.5
229.09131	0.6
230.00635	0.9
247.01495	100.0
248.01636	7.9
249.01741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00345	0.2
55.05510	0.4
56.05030	0.6
56.96574	1.2
58.06602	1.9
58.77563	0.3
58.99862	1.1
60.00624	0.3
60.08168	2.2
68.98286	0.4
69.07055	0.3
70.06593	11.9
70.99865	1.9
71.25259	0.4
72.08153	4.0
73.02931	0.3
77.00911	0.8
82.01476	0.3
82.06586	0.3
82.99837	2.7
83.05008	0.3
83.06106	0.7
84.04507	2.2
84.06458	0.3
84.08144	9.4
84.85341	0.2
85.02910	0.4
85.08469	0.4
86.09705	4.4
89.00906	1.0
91.02438	0.5
96.08144	0.7
97.02894	0.4
98.97586	3.0
100.02488	0.5
101.00880	37.4
102.00976	1.0
103.02440	0.3
113.00888	1.0
114.04056	0.6
114.05534	1.2
114.06647	0.4
114.09164	0.6
115.02415	1.4
116.07095	0.8
116.98642	1.9
118.03530	0.9
118.08635	0.7
119.01919	100.0
120.01996	2.6
121.01670	1.0
124.02431	0.4
124.07593	0.7
126.09143	0.5
126.98782	2.7
129.10280	1.7
130.10556	0.5
131.01906	4.7
132.05066	0.7
133.03465	7.0
134.03572	0.3
134.99623	0.6
137.02954	23.8
138.03064	0.8
140.01163	0.3
142.03555	1.5
142.07521	0.5
142.08638	8.4
143.01906	1.8
144.99821	8.7
145.03418	0.4
145.99936	0.4
146.99580	0.4
147.01393	0.7
148.03809	0.5
149.02945	1.2
151.04520	1.7
154.98286	0.4
155.05258	0.2
155.06616	0.4
157.03482	0.5
159.01277	0.5
159.04980	0.3
160.04565	0.6
161.02953	3.7
163.00897	1.2
168.99828	9.9
169.01294	0.5
169.99956	0.6
170.06651	0.3
170.08151	0.3
172.99332	1.7
173.02963	1.1
173.99481	0.4
175.00862	0.4
175.04498	0.5
177.00948	2.3
177.02451	1.4
178.03894	0.4
179.03964	0.4
183.09781	0.7
183.11310	0.9
184.04588	0.8
184.08258	0.5
185.02979	0.4
185.11305	0.4
186.09743	1.1
187.00891	26.6
187.09294	0.3
188.01016	0.9
191.00339	1.2
191.04008	1.1
196.99312	3.0
197.01041	0.6
201.02463	0.5
201.10884	0.4
202.05667	0.3
203.02498	0.8
203.12418	1.2
205.00049	0.6
205.01939	8.8
205.03818	0.5
205.10306	0.5
206.01999	0.4
210.02437	0.6
211.09311	1.3
212.07697	1.5
215.00360	16.7
216.00594	0.6
217.01968	0.5
219.01894	0.6
219.03757	0.4
224.04286	0.5
229.00368	0.3
229.03416	0.4
229.05392	0.4
229.10420	4.1
229.15466	25.3
230.08714	2.0
233.01340	1.5
238.02068	0.5
247.01236	2.9
247.11420	1.4
248.01601	0.4
248.08008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14314	2.0
50.65826	2.1
51.69572	2.2
54.38737	2.1
55.05500	9.6
57.03431	19.4
59.04993	5.1
62.43556	2.3
65.03947	2.4
67.05504	100.0
70.06574	4.4
71.04988	3.8
71.30389	2.6
79.05479	3.9
81.07055	15.3
81.72859	2.3
83.08618	7.5
84.27159	2.2
85.06557	3.7
91.05476	6.4
93.07040	5.9
95.08598	7.1
95.92023	1.9
98.22645	2.0
102.82674	2.1
107.08634	2.3
109.10153	81.9
110.10426	2.6
111.08111	3.9
117.71926	2.0
119.08575	8.0
129.38048	2.1
137.09633	3.7
140.71196	2.1
145.10167	3.0
155.10611	3.2
173.11809	22.0
173.13200	2.9
180.05055	2.2
187.14827	3.1
229.12192	5.0
229.14368	19.9
229.19565	7.9
229.23561	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	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41597	0.3
55.01862	0.8
55.05513	0.8
56.05031	1.1
56.96563	0.7
57.03419	0.6
58.06600	6.7
59.07375	1.3
59.40622	0.3
60.08164	7.8
61.79391	0.3
64.48429	0.3
67.05499	0.7
67.37135	0.3
68.05030	1.3
69.03423	0.4
69.07073	1.9
70.01431	0.4
70.06592	50.7
71.06905	0.5
71.28671	0.5
72.08150	5.5
74.61109	0.3
77.00890	0.4
82.13260	0.3
84.04501	4.0
84.08141	27.3
85.06576	0.4
86.09704	11.7
94.06553	0.4
95.04977	0.4
96.02986	0.9
96.08124	2.0
98.06051	1.2
98.09653	0.3
100.02457	0.5
101.00865	2.1
102.04041	1.0
103.00609	0.4
110.02391	0.5
111.09194	0.7
112.07594	0.7
113.00875	0.7
113.05615	0.6
114.04044	2.8
114.05522	4.3
114.06685	0.9
114.09157	2.2
116.05654	0.7
116.07088	15.3
117.04025	0.3
118.03526	1.8
118.08633	1.5
119.01926	7.1
121.01661	1.4
121.02453	0.3
121.03460	0.4
124.02460	0.4
124.07592	3.7
125.96021	0.4
126.09158	0.7
127.03848	0.3
130.03490	0.9
131.01903	3.8
131.98529	0.9
132.05060	2.0
132.08762	0.4
134.06642	0.4
136.04526	0.8
136.08243	0.3
137.02927	2.2
139.02649	0.4
141.04007	0.3
141.05075	1.1
141.08725	1.4
141.10252	0.3
142.03494	2.1
142.08630	33.9
143.09023	0.5
144.05070	0.5
144.08682	0.8
144.99754	0.6
147.03186	0.3
149.02953	0.9
149.99599	0.9
150.06099	0.4
150.09744	0.5
151.08704	0.4
157.03442	1.7
159.05013	0.4
159.06171	1.1
159.09781	2.2
160.04518	1.3
161.07727	0.6
161.11362	0.9
166.03477	1.1
169.08203	0.4
170.06705	0.6
170.08087	2.0
174.02448	0.6
175.04503	0.6
177.00851	0.5
178.05551	0.3
183.06093	0.9
183.09734	0.7
183.11276	2.3
184.04564	7.2
184.08142	2.6
185.02975	0.7
185.04811	0.5
186.06125	0.4
187.00879	1.4
187.05629	1.1
187.09241	2.0
189.11981	0.8
193.08246	0.7
193.14078	0.4
194.06511	0.3
194.15474	0.4
198.98523	0.4
201.04228	0.5
201.07190	0.6
202.05579	4.5
202.09200	1.0
205.01936	0.5
205.06691	0.8
205.10347	4.9
205.98753	0.4
211.05710	0.6
211.09248	4.1
211.15138	0.4
212.07675	4.7
212.09500	0.6
212.16438	0.8
215.00343	0.7
215.09816	0.7
229.06931	2.3
229.10446	11.0
229.15453	100.0
230.05084	1.3
230.08685	8.5
230.10721	0.9
230.15298	1.9
230.17633	6.1
231.09023	0.4
247.01228	0.7
247.11298	0.6
248.06126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01878	0.6
56.05044	0.6
56.96565	7.4
57.03429	0.6
58.06598	6.8
58.37140	0.3
59.07384	1.5
60.08164	8.5
67.05488	0.4
68.05025	1.2
70.06592	45.3
70.43446	0.7
70.43791	0.6
71.06927	0.7
71.95254	0.9
72.08167	2.2
72.96049	0.5
76.58470	0.4
83.97662	0.5
84.04501	0.9
84.08144	19.8
86.09697	2.7
95.04955	0.5
96.03004	0.4
96.08153	1.6
98.06051	0.4
98.97585	16.7
101.00854	1.0
111.09236	0.5
112.07584	0.6
114.04032	0.8
114.05527	5.0
114.09150	2.2
116.07098	3.0
116.98624	10.4
119.01920	2.6
124.00761	0.3
124.07587	4.1
126.09117	1.0
130.03479	0.5
131.98558	1.1
134.99669	4.9
137.02988	0.4
138.57925	0.3
140.03801	0.5
142.03516	0.9
142.08635	36.9
143.09010	0.4
149.09680	0.4
153.00708	0.5
156.05023	0.4
158.04887	1.1
160.06398	1.1
166.03542	0.4
170.08084	1.8
177.00957	2.5
183.11250	0.5
184.04533	1.4
184.08162	1.4
187.09204	0.4
188.05928	0.9
189.04385	2.8
194.06580	0.4
202.09218	0.5
203.02480	1.3
203.05811	0.6
205.10426	0.6
206.06921	2.3
207.05389	1.4
211.09200	2.2
212.07655	3.2
224.08072	2.6
229.10564	6.8
229.15465	100.0
230.06912	1.0
230.08800	4.9
230.15538	2.1
230.17671	5.9
247.01505	2.7
247.11710	0.4
248.08073	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	230.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	33.8
65.87925	0.4
69.29361	1.8
70.06596	1.8
71.06930	0.8
71.68162	0.3
71.95264	3.1
72.08167	0.4
72.96053	2.5
74.97599	0.5
80.06939	0.3
83.97617	1.2
84.08147	1.3
84.96021	1.1
86.09700	4.4
97.99171	0.5
98.60432	0.3
98.97584	100.0
107.08548	0.4
110.97563	0.6
115.00708	0.4
116.00214	1.8
116.98620	49.3
124.00721	1.0
126.02293	1.7
128.98587	0.4
133.01801	0.3
134.01259	1.5
134.99660	15.7
138.11142	0.3
140.00186	0.9
140.03799	2.1
142.01770	0.5
142.05383	2.0
142.08658	0.6
142.50127	0.4
143.08978	1.2
144.03305	0.6
153.00723	1.1
158.01309	0.5
158.04887	3.0
160.06479	4.4
161.04922	0.3
170.04855	2.0
171.03308	2.7
174.59802	0.4
176.05946	0.7
178.07515	1.2
188.05981	2.9
189.00732	0.5
189.04346	11.9
190.37057	0.4
202.07477	0.8
203.05968	0.6
206.06989	8.5
206.18457	0.4
207.05394	5.0
207.07208	0.7
212.05902	1.1
212.16437	0.8
224.08047	9.5
230.06987	10.0
230.10417	0.8
230.15691	4.2
230.17528	8.2
231.05345	2.4
248.08067	17.3
249.06332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05481	3.0
56.05019	1.4
57.03405	2.6
58.06600	4.0
67.05504	8.9
69.07066	4.3
69.85469	3.1
70.06590	23.0
71.04958	2.6
71.06897	1.4
72.08155	5.1
79.05492	10.0
79.62887	0.6
81.07056	18.4
82.06554	2.0
83.08601	1.1
84.04465	2.0
84.08130	4.9
85.02881	1.0
85.06530	1.0
86.09705	4.5
87.10020	0.9
91.05484	5.7
93.07044	21.5
94.06543	0.8
95.04943	1.6
95.08065	1.1
95.08606	15.5
96.08109	2.9
97.06516	1.6
98.06060	1.3
105.07006	2.3
107.04953	0.9
107.08595	6.5
109.06490	2.2
109.10163	1.7
110.09695	3.4
111.08048	1.6
113.05953	1.0
116.07095	1.1
117.06979	2.3
117.30839	0.7
119.08588	3.5
121.06496	6.0
121.10156	3.3
123.04398	0.9
123.08042	1.9
129.10173	0.7
131.08531	1.6
133.10107	3.8
135.08047	3.9
135.11688	15.8
137.09570	1.4
139.07562	3.8
149.13225	5.5
153.09074	2.7
159.11688	5.3
166.15892	1.4
177.11345	1.3
177.12749	13.6
185.05962	1.1
194.15408	11.2
195.13771	11.5
212.16447	100.0
213.16768	2.7
221.52504	0.7
230.17516	46.8
231.06615	1.1
231.17862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	50.0
61.01156	27.0
65.47486	23.4
70.06619	84.9
70.53642	35.7
70.53960	45.0
76.63599	23.0
84.08149	61.2
86.09711	58.1
101.00874	36.1
119.01949	100.0
124.99159	26.4
133.01671	27.5
135.44635	26.2
137.03015	31.5
143.00145	65.1
161.01273	49.4
202.05693	37.9
214.07480	24.3
231.10344	32.6
232.04964	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	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16487	11.9
56.96569	38.4
57.79374	12.5
65.90861	11.2
69.10563	100.0
70.06593	66.3
72.08165	24.6
72.77248	11.4
84.96039	12.6
94.93024	30.2
98.22564	18.4
102.62907	11.5
107.41775	11.7
124.99088	13.9
129.64107	12.3
143.00185	25.3
154.83363	11.9
161.01277	17.4
185.04590	12.2
212.16328	11.7
230.15582	17.1
230.17577	50.7
231.18057	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05513	11.6
58.00175	0.3
61.01141	0.9
62.60157	0.4
67.05495	1.0
68.90754	0.4
69.07063	0.5
70.06586	1.3
70.34367	1.0
72.04520	2.3
72.08160	2.6
72.09344	0.4
77.67323	0.4
78.03790	2.6
78.23785	0.4
79.05495	1.0
81.07052	1.2
83.04980	100.0
83.08638	0.4
84.05309	1.0
84.08129	0.5
86.09716	1.2
91.05483	1.5
93.07029	0.9
95.04958	0.5
95.08588	0.7
99.04457	0.5
100.07611	0.7
102.03757	2.8
105.07050	1.6
107.08597	0.9
109.06525	0.4
112.07597	1.1
112.24291	0.4
114.03760	1.3
117.07035	1.7
119.08538	2.5
121.10157	0.4
123.09614	0.3
128.06238	0.7
129.07014	0.9
131.06387	1.9
131.08575	1.4
132.04788	4.5
133.10143	1.1
142.07779	0.6
143.08578	0.8
145.10098	2.1
147.08032	0.9
147.11679	0.5
149.07434	11.2
154.08623	21.4
157.10117	1.0
159.11673	1.0
171.11667	1.3
173.09637	0.8
175.05396	0.5
185.09668	0.5
189.12753	0.6
213.10744	0.6
213.12677	0.9
213.16335	0.7
231.11652	1.8
231.13841	2.7
231.17427	1.2
231.21252	0.5
232.17038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03936	0.5
55.05512	11.6
55.81192	0.2
56.05037	0.5
57.05819	1.2
69.46880	0.8
69.47284	0.5
69.90406	0.2
70.06606	0.3
72.08156	100.0
73.08496	0.9
83.32835	0.2
86.09704	5.1
96.31602	0.2
98.23322	0.5
125.32664	0.2
132.10202	3.2
145.95177	0.2
159.28036	0.2
185.16534	0.7
213.16266	0.2
231.17038	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03936	0.4
55.05510	10.9
56.05033	1.1
57.05820	1.1
57.07074	0.4
61.01144	0.7
68.08401	0.2
69.03426	0.6
69.07074	1.0
69.59612	0.7
69.60014	0.4
70.06595	2.1
70.26096	0.2
72.08154	100.0
73.08492	0.7
79.11843	0.2
82.06593	0.3
83.08641	0.3
84.04494	0.3
84.08147	0.7
85.02901	0.5
86.09706	9.6
88.04028	0.3
91.05446	0.3
94.93102	0.2
95.04971	0.3
95.08627	0.4
95.28648	0.2
97.02899	0.3
104.05339	1.1
107.04980	0.5
107.08612	0.4
110.09747	0.3
111.04451	0.3
115.05446	0.3
118.08588	0.3
118.98906	0.2
120.08107	0.6
128.06230	0.3
129.06992	0.5
129.10252	0.5
132.10201	20.4
147.08058	0.7
157.06540	0.5
158.09982	1.8
171.14917	1.4
185.05954	0.6
185.16553	0.5
186.09215	0.3
196.06049	0.3
199.14441	0.5
199.82578	0.2
203.12143	0.5
213.05476	0.3
213.16864	0.6
231.02934	0.4
231.06613	0.9
231.13921	0.2
231.15025	0.3
231.16994	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	232.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55084	0.9
56.04794	1.1
56.05039	14.6
56.96557	3.2
60.05639	1.6
61.01152	38.5
66.95498	0.8
69.07065	8.0
70.06592	5.5
71.27953	1.4
72.08141	3.4
82.99834	6.3
84.04491	1.2
86.09711	34.0
87.02693	8.6
97.06552	5.6
98.97577	3.3
100.02501	1.2
100.97173	3.0
100.98006	0.8
101.00883	42.8
102.00954	1.9
104.04696	1.4
104.05338	18.9
110.83018	0.9
112.02457	3.8
113.00855	1.8
116.07095	1.1
116.98612	2.7
118.03527	5.7
118.08675	0.9
118.66299	0.9
118.98184	1.6
119.01923	100.0
120.02005	3.3
126.03989	3.4
130.03502	12.5
131.01897	6.8
132.01389	0.8
133.03424	1.3
134.99637	1.4
136.04483	0.8
137.02956	18.7
139.02460	1.7
142.03510	2.4
144.05064	21.6
145.03481	4.2
146.01218	0.8
148.04535	1.6
149.02937	1.6
152.07100	1.6
154.03481	4.5
156.01436	5.5
156.05066	12.7
157.03462	20.5
158.06700	1.1
162.06084	2.7
166.03601	0.9
168.08693	1.3
172.04529	4.8
173.09204	1.5
174.02512	10.3
174.06194	5.2
175.04495	5.9
175.11983	1.0
184.04575	16.1
186.04349	3.8
186.09766	15.7
187.02740	12.3
189.04164	1.3
190.03798	1.5
191.02238	2.2
191.03929	1.2
196.08087	1.0
196.13258	0.9
197.06531	1.3
202.05620	35.2
202.07509	1.9
203.05823	1.9
204.05466	4.2
204.10861	5.7
205.03824	30.9
205.05745	1.9
206.03964	1.5
206.07042	1.0
208.04883	3.2
214.03662	1.0
214.09253	23.3
214.14320	2.0
215.02252	25.7
215.07637	2.9
216.02425	1.1
232.02486	1.6
232.04910	54.7
232.10292	55.0
232.13957	4.3
232.15564	2.9
232.19095	1.2
233.03270	32.6
233.05127	1.7
233.08435	1.3
233.10582	2.1
234.03496	1.4
250.05759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1698
Annotation	Rotundine A
Peak:m/z	Relative Intensity
52.69698	0.6
53.03917	0.5
57.07060	0.8
59.00473	0.6
69.49660	3.3
72.11162	0.5
79.05488	0.8
81.07063	0.6
91.05487	0.7
105.07027	0.7
117.05725	0.5
118.06541	3.6
119.08532	0.9
121.06479	0.7
122.02547	0.5
130.06537	0.7
131.08545	0.5
132.08084	11.0
132.08920	0.6
134.09630	1.2
144.08061	2.1
145.08839	2.0
146.09587	0.8
157.10129	0.6
158.09607	2.7
159.10449	2.7
173.13249	0.7
174.12776	100.0
175.13132	3.1
214.10797	1.0
232.09753	0.5
232.16951	18.4
233.15239	1.2
233.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21902	0.9
55.01880	0.9
55.05514	13.1
56.05041	0.9
57.03434	3.1
57.07085	1.2
58.06600	5.9
64.05894	0.6
67.05508	10.3
68.29064	0.6
69.03428	1.5
69.07069	16.7
69.10216	1.6
69.10630	4.0
70.06596	19.8
71.04995	2.1
72.08153	2.5
73.08486	0.9
79.05495	5.0
81.07056	17.2
83.04984	1.8
83.08620	7.0
84.08148	4.2
85.06561	2.3
86.09701	5.2
90.23845	0.6
91.05481	4.2
93.07047	7.2
95.04974	0.9
95.08611	25.2
97.06535	2.1
97.10168	2.6
98.09711	0.7
98.23344	1.5
99.97172	0.7
102.04161	0.6
105.07027	7.6
107.04971	1.2
107.08596	2.7
109.06523	1.0
109.10151	4.8
111.08072	0.9
116.06318	0.6
117.07028	2.8
119.08588	6.7
120.07307	0.6
120.08116	2.4
121.06516	1.9
121.10145	2.8
123.08089	2.1
127.07539	0.7
129.07010	1.1
130.07814	1.1
131.08603	2.2
133.06534	0.8
133.10123	3.7
135.11697	2.6
137.09616	1.3
137.13271	4.0
137.54320	0.7
141.09076	1.0
143.08582	0.8
145.10143	7.3
147.08066	0.8
147.11807	0.7
149.13333	0.8
151.14824	1.0
159.08076	0.8
159.11702	2.6
161.13249	10.8
163.11195	4.6
168.17490	2.7
169.10112	1.0
172.13382	1.1
173.09625	14.0
179.14316	5.8
181.88313	0.6
187.11240	3.6
189.05504	0.7
191.10713	0.7
196.16971	100.0
197.15605	1.4
197.17311	2.9
205.12210	0.8
214.18025	88.8
215.10768	3.0
215.16516	1.2
215.18393	2.7
232.19070	32.3
233.11670	5.7
233.19464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.7
71.27571	5.0
71.28002	4.5
72.08160	9.5
86.09703	100.0
88.69363	4.3
92.77000	3.9
94.93010	18.9
101.00867	22.5
117.84782	4.1
119.01913	15.4
120.06559	6.6
133.03464	18.1
143.01926	12.0
151.04491	8.1
161.02963	15.4
173.02972	13.9
190.98674	5.9
191.04010	18.4
194.91733	4.4
206.95673	5.1
208.99782	4.8
216.70564	4.5
233.06279	12.6
233.14682	4.7
242.36195	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	233.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	12.8
56.96567	31.5
58.06603	10.3
67.28080	10.2
70.06580	28.9
70.21838	25.4
70.22205	23.8
72.08169	25.2
74.06075	73.4
76.02226	24.8
78.93614	10.5
81.03381	12.1
84.08138	12.8
86.09710	44.1
90.94817	25.9
91.05446	10.9
98.97594	33.1
101.54356	11.3
104.73621	14.2
105.07018	12.2
113.96404	15.1
116.98586	19.7
120.08073	14.7
127.93446	12.1
131.97441	22.2
132.10211	15.0
134.45801	10.6
134.99753	29.0
149.96123	33.9
150.96930	40.8
162.84865	13.8
167.97121	13.9
187.14566	15.7
190.98747	44.8
208.99770	25.6
233.07849	100.0
233.15215	19.9
233.19016	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0808
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03934	2.9
55.01872	2.9
55.05510	6.2
64.89567	0.9
65.03940	8.1
67.05513	7.3
69.03423	7.1
69.07065	2.7
69.40430	3.7
70.06585	1.4
71.04994	1.2
72.08150	0.9
76.82628	0.9
77.03919	1.3
79.05498	15.3
81.03400	4.2
81.07055	4.4
83.04971	1.4
89.03963	1.1
91.05477	64.7
92.05806	1.2
93.03396	2.4
93.07021	6.2
95.04966	6.1
95.08595	2.7
97.02910	1.5
103.05434	6.4
105.03382	3.4
105.07029	32.2
107.04963	7.1
107.08585	4.1
109.02872	1.8
109.06522	2.2
109.10146	1.8
113.14911	1.1
115.05448	27.0
116.06251	13.2
117.07016	39.4
119.04922	4.0
119.08578	13.1
120.08120	1.4
121.06509	4.4
121.10155	1.7
123.04404	1.1
125.02340	2.6
128.06227	11.6
129.07016	14.1
130.07826	1.1
131.04938	8.7
131.08563	67.4
133.06502	5.9
133.10136	9.7
135.04417	5.3
135.08034	4.1
136.61688	0.9
136.70737	1.0
137.02315	4.6
139.03865	1.9
141.07005	8.4
143.04933	9.4
143.08556	9.7
144.05698	10.8
145.06480	67.8
145.10135	7.2
146.07164	1.7
147.04422	2.4
147.08069	3.6
147.11719	1.2
149.05960	3.5
149.09584	4.6
151.07545	1.2
155.06047	1.6
157.10078	1.7
159.04433	16.8
159.08046	83.6
159.11699	4.1
160.08461	2.2
161.05997	4.0
161.09616	15.2
163.03888	2.9
163.07555	9.7
169.06474	2.7
169.07707	1.8
169.10132	1.2
171.04337	1.3
171.08003	3.7
171.11716	2.3
172.05173	3.7
173.02393	1.4
173.04562	1.4
173.05992	21.8
173.09540	1.4
173.13274	9.8
174.06538	1.1
175.03926	1.1
175.11142	2.6
177.05490	3.4
177.09058	12.2
187.07541	100.0
187.14862	2.1
188.07869	2.8
189.09137	7.1
189.10620	1.4
191.07042	1.9
191.14301	2.5
203.07053	1.7
205.04977	7.5
205.08591	36.2
215.07011	19.6
215.10739	1.2
215.14264	3.0
232.22751	2.3
233.08084	26.6
233.11661	2.9
233.15353	16.9
233.19005	1.9
233.22931	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03957	1.6
55.01868	2.5
55.05512	1.9
59.50361	0.8
67.05511	5.7
68.99796	1.0
69.03433	4.2
69.07092	2.2
70.47264	2.7
71.04984	2.3
77.03957	1.0
79.05492	11.4
81.07055	4.0
83.04990	1.4
85.06512	1.8
91.05476	10.8
93.07040	8.4
95.04965	6.3
95.08645	1.0
98.23249	1.0
99.04460	4.5
103.05442	1.1
105.07030	25.7
107.04971	11.2
107.08595	3.6
109.06519	2.3
113.06036	1.1
115.05475	2.1
117.07022	14.4
119.04951	3.4
119.08598	7.2
121.06512	10.7
121.10146	2.4
128.06226	2.3
129.06993	6.5
130.07793	9.6
131.04919	1.2
131.08580	9.7
133.06522	4.1
133.10126	1.9
135.04475	1.6
135.08054	2.4
135.11678	2.2
137.05994	1.9
141.07048	2.3
142.07773	1.0
143.08522	6.0
144.05640	1.0
144.09326	2.3
145.06502	5.8
145.10129	53.5
146.10399	1.1
147.08037	2.1
147.11668	4.7
148.08821	3.6
154.07800	4.5
155.04906	2.0
155.08519	1.9
157.06529	1.9
158.07285	3.7
159.08070	4.7
159.11705	16.5
161.09663	1.3
163.11192	64.0
164.11519	2.4
169.10133	6.4
171.07968	1.1
171.11714	2.1
172.08830	2.3
173.09625	100.0
174.09955	3.7
175.07568	1.2
177.12825	1.5
179.08569	1.7
187.11180	29.4
189.12802	3.3
191.10622	5.2
197.09645	5.9
205.12254	5.2
215.07280	2.3
215.10677	21.6
233.08066	1.8
233.11736	30.2
234.12160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
52.48097	4.0
53.03942	6.3
55.01870	7.4
56.05064	3.4
65.03931	5.7
67.05501	13.4
68.22115	3.2
69.03431	15.9
69.07069	4.3
70.11782	10.6
71.05004	9.6
71.09579	2.9
71.52248	3.7
72.04495	3.1
79.05504	22.6
81.03448	4.7
81.07057	12.8
85.06564	4.8
85.45119	3.5
89.07138	3.2
91.05477	37.8
91.33120	3.3
93.07059	29.4
95.04957	16.9
95.08639	6.3
98.97568	6.1
99.04466	13.1
103.05489	8.7
105.07036	66.8
107.04958	15.8
107.08607	4.5
109.06521	13.0
115.05512	8.6
116.06288	5.5
116.98627	4.4
117.07008	37.0
119.04946	95.1
119.08588	18.4
120.05315	3.5
121.06522	26.9
121.09797	10.4
128.06215	7.4
129.07045	17.2
130.07790	17.8
131.04944	6.3
131.08572	34.9
133.06494	15.2
133.10123	9.1
134.99673	4.1
135.08026	5.1
137.05984	5.6
141.06981	9.1
143.08527	12.9
144.09364	10.2
145.06493	24.6
145.10114	99.3
147.08087	9.2
147.11613	4.5
153.07050	4.9
154.07820	9.0
155.08591	7.0
157.10231	5.0
158.07304	14.1
159.08083	18.5
159.11693	57.7
161.13214	3.8
163.07523	6.4
163.11174	25.1
169.10144	31.6
171.11737	5.9
172.08835	7.2
173.09621	87.8
175.07585	10.6
179.08572	8.3
182.07269	5.3
187.11186	100.0
188.11726	3.6
189.12857	5.2
190.98744	4.4
191.10687	7.7
195.99179	3.5
197.09586	23.9
205.12224	16.9
215.10675	91.8
233.11703	68.8
233.15286	4.9
233.19014	4.5
233.22299	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03936	2.3
55.01867	2.3
55.05529	3.3
67.05505	6.3
69.03446	6.2
69.07078	3.4
70.81312	4.7
71.05006	3.0
79.05482	15.4
81.07059	4.8
81.50483	2.0
83.04966	2.2
89.07185	3.1
91.05474	14.1
93.07063	10.2
95.04978	7.4
98.97597	5.5
99.04465	5.7
105.07031	31.9
105.07681	2.9
107.04945	12.2
107.08631	3.0
109.06603	2.3
113.06043	2.3
115.05501	3.4
116.98615	4.6
117.07019	20.7
119.08595	11.9
121.06505	9.6
121.09699	11.2
128.06218	3.6
129.07004	6.9
130.07797	8.5
130.82773	2.4
131.08569	13.5
133.06464	2.7
133.10143	3.4
134.99661	2.5
135.08090	2.1
135.11745	3.5
143.08559	7.0
144.09315	5.1
145.06514	8.3
145.10123	69.1
146.10547	2.6
147.11705	4.6
148.08818	2.3
158.07301	4.4
159.08073	5.2
159.11696	18.1
163.11183	52.0
163.12492	3.4
169.10139	8.1
173.09625	100.0
174.09920	2.6
175.07532	2.8
177.12741	2.2
178.06245	2.6
178.96080	4.8
182.07225	2.5
186.18433	2.5
187.11201	33.7
189.12775	2.9
189.19589	2.1
191.10719	5.6
197.09663	6.0
205.12296	6.6
215.10661	26.7
233.09402	4.2
233.11676	29.5
233.15250	2.6
233.22197	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	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03939	2.6
53.93429	0.6
55.01865	2.9
55.05508	2.4
56.37241	0.6
59.05006	0.8
65.03925	1.4
67.05508	6.0
69.03426	4.5
69.07057	3.2
69.67776	0.8
71.04990	1.8
71.29967	1.1
77.03907	0.8
79.05494	14.3
79.05938	0.5
81.03435	1.1
81.07063	10.4
83.04974	3.3
85.06516	1.2
85.13271	0.7
86.09702	2.0
91.05482	15.9
93.07047	13.9
95.04971	8.2
95.08607	1.8
97.02860	0.8
97.06519	2.0
99.04459	4.1
103.05476	2.2
105.03419	1.4
105.04497	0.9
105.07031	30.3
106.07337	0.8
107.04951	13.2
107.08582	4.3
109.06519	10.3
113.06013	0.7
115.05424	3.5
116.06248	1.4
117.07025	13.6
119.04939	11.5
119.08581	8.0
120.08136	1.1
121.06521	12.5
121.10139	2.1
123.04513	1.4
123.36308	0.7
127.07566	1.7
128.06219	3.3
129.07002	6.0
130.07787	8.9
131.04904	1.5
131.08582	14.7
133.06523	4.8
133.07378	0.8
133.10094	3.6
135.04422	3.0
135.08032	6.3
135.11679	1.5
137.05983	7.0
141.06992	4.8
142.07797	0.9
143.08598	7.3
144.05659	1.8
144.09343	4.1
145.06494	8.2
145.10129	54.8
146.10439	1.2
147.08072	2.2
147.11687	6.4
148.08798	1.8
149.06029	1.1
149.09627	1.9
151.07545	1.0
153.07025	1.8
154.07816	3.8
155.08549	3.5
157.06451	1.0
157.10132	2.0
158.07321	5.5
159.04407	0.9
159.08061	6.5
159.11690	14.5
161.09615	2.0
161.13231	1.0
163.07533	1.5
163.11188	34.2
164.11525	0.9
169.10139	9.3
171.08009	1.5
171.11729	1.9
172.08829	3.2
173.09625	100.0
173.13138	2.2
174.10025	2.6
175.07565	1.4
175.11168	1.3
177.09109	1.3
178.07767	1.4
179.08536	4.3
181.06523	1.2
182.07190	3.6
183.36510	0.8
187.07661	1.8
187.09454	1.5
187.11186	29.6
187.14795	2.5
188.11472	1.5
189.09042	0.9
189.12778	2.6
191.10674	7.9
191.14314	1.3
197.09621	11.3
203.06979	3.4
205.08759	0.8
205.12332	3.7
215.10687	24.1
215.14304	2.2
233.08250	3.9
233.11731	26.6
233.15221	7.1
233.19041	2.0
234.12070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03947	1.4
55.01875	1.9
55.05513	1.5
64.42715	0.4
65.03956	1.0
67.05504	4.5
68.99792	0.9
69.03432	5.1
69.07065	1.5
69.66917	0.4
71.04994	2.5
71.30522	0.9
72.08157	0.4
74.06086	0.6
79.05487	7.4
81.03396	0.7
81.07055	5.9
83.04972	1.2
85.06544	1.5
86.09702	1.7
87.00806	0.5
90.45914	0.4
91.05476	11.9
93.07037	8.0
95.04955	5.4
95.08592	1.5
97.02880	0.4
97.06564	1.2
99.04451	5.0
103.05451	1.6
105.03384	0.6
105.04579	0.6
105.07023	27.1
106.07301	0.7
107.04952	8.4
107.08581	3.3
109.06506	3.6
115.03946	0.4
115.05428	2.3
116.06249	1.1
117.07011	14.1
119.04936	8.0
119.05778	0.7
119.08573	8.6
120.08109	3.5
121.06495	9.1
121.10169	2.2
123.04440	0.9
123.08081	1.1
125.05980	1.8
127.07518	1.1
128.06206	3.0
129.07005	5.5
130.07785	8.4
131.04913	1.7
131.08565	10.5
133.06471	2.9
133.10097	3.4
135.04422	1.5
135.08038	2.7
135.11679	1.3
137.05962	1.8
137.09624	0.4
139.07492	0.6
141.07016	2.3
142.07756	1.1
143.08553	6.9
144.05710	0.5
144.09348	3.9
145.06493	6.1
145.10114	52.7
146.07288	0.7
146.10497	1.0
147.08087	2.2
147.09081	0.4
147.11685	5.4
148.08791	1.2
149.05956	1.1
149.09598	0.9
151.07533	1.2
153.06966	0.5
154.07730	3.9
155.07207	0.6
155.08456	2.1
156.09335	1.2
157.06491	0.9
157.10092	1.4
158.07272	4.4
159.08043	5.1
159.11688	15.8
161.05963	0.9
161.09595	1.5
163.07529	1.3
163.11176	23.7
164.11562	0.6
167.08626	0.5
169.10132	7.3
171.08026	1.4
171.11679	2.1
172.08853	2.4
173.09608	100.0
174.09918	3.1
175.07481	2.1
177.05487	0.5
177.09052	0.9
177.12724	1.3
179.08522	0.8
182.07242	1.2
183.37192	0.5
185.09645	0.8
187.11168	33.8
188.11508	0.6
189.09082	1.2
189.12743	4.3
191.06953	0.6
191.10658	5.7
197.09583	5.0
198.09941	0.6
205.06468	0.5
205.08505	0.5
205.12241	5.7
215.10660	22.6
215.13982	0.9
216.10904	1.0
233.07947	1.1
233.11688	27.0
233.15051	2.6
234.11987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03941	2.1
55.01880	5.0
55.05501	3.8
57.07060	1.0
57.58673	0.9
60.21408	0.9
65.03941	5.9
67.05507	28.9
68.99791	1.9
69.03424	11.5
69.07058	6.1
69.43149	5.1
71.05001	6.0
72.08144	1.4
74.06064	1.6
76.17096	0.9
77.03911	1.5
79.05492	20.9
81.03411	1.7
81.07063	12.1
83.04990	2.5
83.39621	1.1
85.06550	2.4
86.09708	32.2
87.04472	1.5
91.05475	26.7
91.06013	1.9
93.07043	20.1
95.04965	26.0
95.08592	4.8
97.06512	3.0
98.23471	0.9
99.04450	10.0
103.05473	2.9
105.07031	44.3
107.04958	14.7
107.08595	10.2
109.02888	1.4
109.06535	5.3
109.10141	2.0
111.04419	2.1
113.06026	1.3
115.03970	1.3
115.05446	4.7
116.06236	1.9
117.07018	18.8
119.04944	48.2
119.08580	19.9
120.06602	2.4
120.08098	17.4
121.06509	21.1
121.10146	4.2
123.04424	2.0
123.08073	1.3
125.05975	1.5
128.06230	4.7
129.07007	10.3
130.07777	7.3
131.04889	2.3
131.08569	25.2
132.09148	0.9
133.06479	7.5
133.10115	11.0
135.04408	27.0
135.08047	3.7
135.11713	2.4
137.05960	3.4
137.09625	1.6
141.06985	5.5
142.07796	1.9
143.08569	11.0
144.05699	1.1
144.09370	5.8
145.06471	14.4
145.10123	69.0
146.09442	1.1
146.10503	1.7
147.04341	0.9
147.08038	9.0
147.11688	4.4
148.08800	1.2
149.05974	2.1
149.09619	3.1
149.13249	1.3
149.72578	0.9
151.69437	1.0
153.05464	5.8
153.06975	2.4
154.07788	7.9
155.08571	5.8
156.09351	1.8
157.10130	3.4
158.07260	7.4
159.04396	1.6
159.08047	12.8
159.11682	37.6
161.05959	2.9
161.09651	3.1
163.03867	4.8
163.07544	4.7
163.11192	26.9
169.10126	16.6
171.08096	2.4
171.11607	4.7
172.08835	3.6
173.09616	56.6
173.13251	6.7
174.10072	2.3
175.07547	10.5
175.11244	1.5
177.12720	3.1
178.36681	0.9
179.08559	4.0
181.04953	15.2
182.07286	2.5
182.10962	1.6
185.09706	1.3
187.07628	6.0
187.11183	65.5
187.14740	2.9
188.11549	1.3
189.05507	8.1
189.09073	2.2
189.12721	3.5
190.06259	7.4
191.06963	1.5
191.08661	1.1
191.10674	8.0
191.14380	1.3
196.54446	1.1
197.09618	14.2
197.13271	3.5
198.35719	0.9
203.07027	100.0
204.07362	3.1
205.08525	1.8
205.12260	11.6
205.15981	1.5
215.07367	6.3
215.10664	46.9
215.14079	9.8
215.17885	1.2
217.05029	1.1
218.05759	7.7
233.08080	97.3
233.11726	38.0
233.15361	27.6
233.18835	4.7
234.08527	2.4
234.11848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.77909	9.2
56.96561	10.9
59.05005	12.4
60.49520	10.1
67.05500	18.8
69.03438	17.6
69.29005	11.2
71.05010	17.9
79.05499	22.1
81.07055	20.7
91.05486	33.1
93.07042	44.2
95.04982	15.3
98.97575	21.6
99.04450	13.6
104.77129	9.8
105.07040	51.1
107.04918	10.6
116.98622	27.8
117.07019	29.0
119.04949	72.8
119.08640	19.8
121.06532	28.1
121.09755	29.1
129.06989	17.9
130.07809	14.8
131.08578	34.1
133.06688	10.4
134.99646	18.6
137.34351	8.7
143.08667	11.6
144.09294	12.7
145.06538	28.4
145.10162	95.0
147.08087	11.5
158.84871	9.5
159.08028	12.5
159.11719	58.0
163.11157	29.2
169.10184	26.6
173.09583	87.9
178.96124	11.7
179.08623	11.9
187.11226	100.0
191.10724	20.3
197.09644	19.5
205.12152	15.6
215.10660	73.2
218.64687	9.6
232.97243	10.2
233.11639	56.9
233.15282	14.3
233.22321	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44769	0.2
56.05034	1.7
56.96567	3.6
60.95850	2.0
61.01146	0.3
69.07070	2.9
69.59689	1.4
70.06584	0.7
70.99857	0.3
71.95249	0.3
72.08147	1.6
74.06078	4.4
82.99852	1.0
83.00316	0.3
84.04510	0.7
84.08137	0.8
84.96040	0.5
86.09706	100.0
87.10027	1.6
97.06568	0.4
98.97583	4.0
100.99160	0.3
101.00887	9.6
101.95014	0.6
101.97205	0.9
102.00956	1.2
102.05538	1.6
102.96870	3.4
110.97555	0.6
111.98928	0.2
115.02431	2.2
116.98626	1.7
119.01918	13.8
119.98326	0.5
120.02013	2.4
120.06581	5.7
120.97894	2.4
121.01672	0.9
123.92545	0.2
126.97122	0.3
127.08600	0.2
128.98619	0.4
129.10262	0.2
130.05002	1.1
131.01891	1.4
132.02037	0.4
132.10254	0.7
133.03470	15.5
134.03648	0.4
134.99680	0.4
137.02969	1.8
138.98969	0.7
142.12227	0.3
143.01900	2.1
144.98079	0.3
146.08156	0.4
146.99641	0.3
149.02997	0.9
151.04501	3.1
161.02971	5.6
164.05904	0.3
167.04089	0.4
173.02962	9.3
173.04471	0.5
175.02602	0.4
186.72752	0.3
187.09969	2.4
187.14439	0.4
188.09509	0.4
190.98697	0.4
191.04005	20.0
192.04056	1.1
199.02971	0.2
205.10973	0.7
206.04109	0.3
206.07014	0.3
208.99748	0.8
210.04759	1.6
210.06308	0.5
214.05545	0.3
215.09378	3.0
215.13882	1.9
216.09116	0.6
228.07419	0.4
233.05040	6.6
233.10472	7.2
233.14890	2.2
234.04927	0.8
234.10127	1.2
234.18132	0.6
237.87932	0.3
251.07802	0.4
252.05588	0.6
252.07800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05501	0.3
56.05035	18.2
56.96574	0.4
57.03434	3.4
58.06598	3.1
68.05057	0.4
70.48582	1.0
72.08168	2.6
73.60371	0.4
74.06078	100.0
75.06413	0.6
84.04498	2.9
86.06074	0.4
86.09703	22.8
101.07150	2.4
102.37050	0.4
116.07091	0.5
118.46421	0.4
126.09129	0.4
132.10202	16.1
134.08144	1.3
142.12300	0.9
143.11848	0.5
169.13397	1.7
186.39156	0.4
187.14413	8.8
215.13879	3.0
233.14967	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
56.05045	1.6
56.05280	0.4
56.96570	2.5
57.13090	0.2
58.06598	0.3
58.96167	0.3
59.96180	0.4
60.95857	2.0
61.01145	0.5
69.07072	2.6
69.16799	0.3
70.06601	0.5
71.28524	0.3
71.28895	0.3
71.84483	0.3
72.08167	1.3
74.06087	3.9
79.50974	0.2
82.99857	1.1
84.04483	0.5
84.08145	0.8
84.96030	0.5
86.09707	100.0
87.09521	0.3
87.10040	2.4
94.54636	0.2
97.06519	0.5
98.97585	2.4
100.99143	0.4
101.00882	8.9
101.95065	0.4
101.97202	0.9
102.00987	1.2
102.05533	1.7
102.96865	4.9
110.97556	0.6
115.02439	1.8
116.10569	0.2
116.98603	1.4
119.01925	12.5
119.98315	0.4
120.02000	2.8
120.06580	5.7
120.97913	2.4
121.01673	0.9
128.98637	0.5
130.05002	1.0
131.01915	1.0
132.10213	0.9
133.03471	11.6
134.03583	0.6
134.99675	0.4
137.02948	1.2
138.98975	0.6
142.03513	0.3
142.12216	0.3
143.01913	1.6
146.08087	0.4
149.03017	0.8
151.04514	2.5
161.02951	4.5
162.04233	0.3
164.05743	0.3
172.97600	0.2
173.02965	6.0
173.04462	0.4
173.07112	0.2
174.03036	0.5
175.02573	0.3
182.21356	0.3
187.09970	2.8
187.14389	0.5
188.09497	0.7
190.98648	0.4
191.04005	13.9
192.04015	0.8
193.03673	0.4
203.53957	0.4
205.10977	0.9
208.99721	0.6
209.06683	0.3
210.04738	1.0
210.06458	0.4
211.04906	0.4
215.09456	3.2
215.13908	2.2
216.09126	0.5
217.15480	0.4
224.08041	0.3
228.07387	0.7
232.96597	0.3
233.05070	4.9
233.10478	7.8
233.14915	2.1
234.06419	0.6
234.10092	1.8
234.18144	0.4
235.58380	0.3
251.07784	0.6
252.07388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.64588	0.6
53.03946	3.0
55.05508	3.7
57.07079	0.7
67.05493	1.6
69.03419	5.3
69.07047	1.2
69.10862	4.8
71.04962	0.9
77.03937	1.0
79.05490	61.0
80.05828	0.6
80.91708	0.6
81.03410	0.9
81.07051	3.2
83.04955	1.2
83.08611	5.9
85.06538	1.0
91.05500	3.4
93.07051	4.7
95.04965	4.5
95.08583	2.2
97.06517	0.7
98.97590	0.8
105.04479	1.2
105.07030	7.0
107.04950	68.8
107.08590	9.3
108.05285	0.9
110.72551	0.6
111.08074	5.9
116.98592	0.8
117.07015	1.0
119.08575	4.8
121.06493	1.9
121.10129	6.7
123.08018	0.7
123.11678	0.8
125.09647	3.0
129.06978	1.0
129.60049	0.6
131.08556	4.9
133.06479	1.1
133.10126	5.9
135.08076	1.9
142.07765	1.1
143.08562	0.9
145.10106	3.7
147.08052	0.9
147.11673	10.5
149.09607	9.0
149.13228	4.0
150.10338	1.0
157.10143	3.1
158.10905	1.8
159.11676	0.8
160.08804	1.4
161.13307	0.6
163.11188	0.9
163.14868	0.7
173.09636	0.8
173.13264	6.9
175.11180	9.9
182.11006	1.0
187.11081	0.6
189.12711	0.7
191.14302	76.3
192.14574	1.7
197.13197	1.3
215.14336	2.2
233.15346	100.0
234.15630	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	233.2264
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03942	1.5
55.05513	11.3
55.34390	0.6
57.07081	3.0
65.03939	2.2
67.05506	94.3
69.07069	12.0
71.08617	1.2
72.68651	0.5
79.05494	25.5
80.02657	0.5
81.07058	100.0
82.07401	1.3
83.08617	9.7
85.06525	0.7
91.05479	6.3
92.26610	0.5
93.07046	29.6
95.04980	1.3
95.08608	85.0
96.08929	0.9
97.10149	4.2
103.03291	0.6
105.07036	2.9
107.04987	0.7
107.08599	16.9
109.06520	0.7
109.10159	40.0
110.10506	0.7
111.11725	1.6
115.89623	0.6
117.07056	1.3
119.08573	2.1
121.06554	0.7
121.10149	28.1
123.11710	17.1
131.08566	1.5
131.88431	0.6
133.10124	1.9
135.08066	1.1
135.11690	24.1
136.08948	0.6
136.11975	0.6
137.13257	9.2
145.10100	1.1
147.11703	0.9
149.09607	2.0
149.13251	12.1
151.14806	5.6
159.11684	0.9
163.03775	0.6
163.11237	0.8
163.14821	3.9
165.16292	1.0
173.13393	1.1
177.05478	1.6
177.16394	1.9
178.06287	1.4
191.17943	1.8
215.10303	0.7
215.17969	1.8
233.11436	1.3
233.15579	4.0
233.18942	44.8
233.22581	82.8
234.19217	1.6
234.22841	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	233.2264
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03944	1.3
54.50914	0.5
55.05510	12.6
57.07081	3.2
63.07374	0.5
65.03938	2.9
67.05504	99.4
68.05840	1.2
69.03424	0.8
69.07068	12.7
70.69878	1.0
70.70194	0.5
71.08640	0.9
79.05493	23.9
81.07055	100.0
82.07364	1.0
83.08616	8.4
91.05477	5.4
93.07041	29.1
95.04967	1.6
95.08604	91.5
96.08940	1.1
97.10170	4.2
105.07018	2.3
107.04956	0.6
107.08595	13.1
109.06500	1.3
109.10151	41.3
110.10448	0.8
111.11705	1.2
117.07031	0.9
119.08511	1.3
121.06512	3.1
121.10142	26.5
121.79206	0.5
123.11707	16.0
129.07031	0.6
131.08566	1.2
133.10162	0.9
135.08051	1.1
135.11693	19.4
137.13242	8.2
139.51712	0.6
142.61945	0.6
145.10115	0.7
147.08105	0.6
149.09625	2.0
149.13255	8.7
151.11197	0.6
151.14806	5.3
159.08044	2.2
159.11748	0.7
163.14813	4.3
163.96808	0.5
177.16376	2.2
178.06119	0.6
187.08452	0.6
191.17918	1.2
233.11670	0.7
233.15314	16.6
233.18953	36.5
233.22589	76.2
234.19286	0.7
234.22908	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	233.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.05269	1.0
55.05513	12.0
57.07064	2.7
65.03922	3.1
67.05506	98.7
67.84836	0.8
68.05807	1.0
69.07069	12.9
71.30067	1.1
79.05493	24.7
81.07056	100.0
83.08609	7.4
91.05474	4.6
93.07043	28.8
95.04946	1.8
95.08607	86.4
97.10151	4.6
105.07014	2.3
107.04939	1.2
107.08590	15.4
109.10152	42.8
111.11718	1.3
119.08566	1.1
120.08114	0.8
121.06503	1.3
121.10144	29.5
121.11022	1.7
123.11712	14.7
127.34372	0.8
129.28708	0.9
135.11696	21.9
137.13248	9.9
145.10170	1.0
149.09602	1.6
149.13264	9.6
151.14799	5.9
157.00269	0.8
163.14798	5.4
177.05487	1.9
177.16365	2.5
178.06201	2.1
191.10530	0.8
191.17917	1.6
192.99399	0.8
193.45177	0.8
233.11653	2.6
233.15599	4.1
233.19060	36.1
233.22629	83.8
234.19275	1.1
234.22903	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	234.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67392	1.8
55.01849	3.0
55.05511	10.7
55.85858	1.8
56.05033	13.3
57.03408	8.7
57.07042	7.6
58.06599	19.9
59.04959	2.9
60.04500	3.2
61.01116	5.5
67.05506	19.7
69.03402	3.1
69.07028	8.3
70.06593	27.4
71.04952	2.8
71.29346	1.9
72.04498	2.3
72.08158	61.2
73.08448	6.9
74.06083	25.4
75.06376	5.3
79.05484	14.1
81.07056	21.4
82.06537	7.6
83.04951	5.4
83.08587	5.0
84.04507	16.1
84.08141	20.9
85.06509	4.7
86.06046	3.0
86.09707	21.8
87.05557	2.2
87.10028	15.5
88.02198	2.5
88.07584	6.4
90.05514	3.6
91.05495	12.2
93.07048	12.8
94.06544	3.4
95.04922	3.1
95.06013	2.6
95.08607	72.3
96.08073	5.7
97.02837	4.9
97.06481	5.5
98.02377	3.3
99.04410	2.5
100.01715	1.8
102.05417	2.5
103.05392	5.9
104.05338	11.0
105.06972	6.1
107.08520	6.1
109.10120	4.5
110.07096	6.7
111.04394	2.6
111.08052	3.1
115.05461	9.4
116.06996	1.9
117.06949	2.6
118.04967	2.5
119.04932	3.6
119.08518	5.8
120.06567	3.6
120.08102	48.6
121.10076	8.6
123.07995	4.0
125.09571	4.1
127.03889	1.8
129.10194	4.4
130.06532	17.1
130.08572	3.9
131.04816	2.0
131.97444	2.4
135.04272	2.0
135.11697	11.2
141.09024	3.2
143.04819	7.7
144.07986	7.5
145.10020	4.0
146.07150	2.2
146.08124	17.8
147.04439	11.1
152.14262	5.9
153.12692	2.5
159.10184	13.7
160.07455	3.2
161.05986	14.8
162.12665	6.1
163.10970	8.4
166.63765	2.1
172.07498	2.9
173.07997	2.0
173.11685	3.0
175.08632	8.9
179.10509	4.1
180.12436	2.4
180.13823	26.4
181.12112	2.5
188.06995	6.3
188.08978	2.2
189.05447	27.0
190.08531	2.8
198.14908	59.1
198.16685	2.1
199.15031	2.8
207.11240	5.2
216.06483	2.5
216.08459	2.5
216.15935	27.5
217.04773	2.5
217.15456	18.9
233.12172	2.2
234.07428	6.4
234.16861	100.0
235.05791	5.6
235.16949	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
54.32362	3.2
57.07072	12.0
59.37117	3.3
70.59507	6.6
81.07032	5.9
91.04971	3.5
91.05479	7.7
104.07124	3.7
108.42303	3.2
115.05434	24.9
117.07071	6.0
119.08559	3.7
121.01299	3.6
128.06244	6.1
129.07004	9.5
132.77084	2.9
137.05974	7.3
143.04948	18.1
144.05739	8.1
145.06406	3.6
151.03932	8.2
157.06508	11.8
160.05188	31.7
172.05197	10.3
172.07486	3.9
173.06059	4.4
174.06842	3.2
175.07538	100.0
175.08952	7.1
179.10722	8.8
187.07567	44.8
189.05476	3.5
189.09138	5.1
205.08577	4.5
217.08629	5.1
235.05946	7.9
235.09651	10.3
235.16832	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	3-Dimethylallyl-4-hydroxymandelic acid
Peak:m/z	Relative Intensity
53.03942	3.4
54.35406	1.2
55.01873	12.7
55.05511	6.7
57.07077	65.3
60.98627	1.2
65.03930	3.8
67.05487	4.2
67.22282	1.3
68.99802	7.3
69.03421	3.5
69.07075	1.7
69.33667	8.3
71.01340	4.4
72.08557	1.1
79.05471	5.5
81.03422	6.3
81.07046	4.1
83.04488	1.9
83.04984	26.8
83.08612	5.8
85.02921	7.5
91.05472	3.5
93.03403	1.3
93.07034	7.7
95.04965	3.3
95.08588	2.3
97.02891	6.4
97.06541	6.6
102.96540	1.3
103.01349	1.6
105.07001	3.0
107.04959	11.5
107.08601	6.4
109.02888	15.9
109.06516	2.5
109.10197	1.6
111.04443	66.3
111.08073	13.1
117.07009	1.3
119.08598	1.8
121.06500	1.9
121.10144	5.0
125.02352	9.6
125.05996	24.2
129.05484	8.0
131.19998	1.6
132.98701	3.6
135.04411	16.1
135.08031	2.1
135.11676	2.7
137.02322	5.5
137.09618	2.0
139.03891	7.2
143.03398	2.7
145.10089	3.3
147.07898	1.3
148.05225	1.8
149.05975	1.6
149.09590	5.9
151.07494	2.9
153.05470	44.0
153.09067	4.1
155.03400	6.2
163.03886	13.7
163.11205	9.9
167.07010	1.3
167.10683	4.2
175.07526	8.6
176.08290	1.6
177.09122	9.8
181.04965	61.5
181.12260	12.5
191.10677	53.7
193.08635	2.0
195.10168	25.9
203.06989	4.1
209.11725	100.0
210.12192	2.4
219.10144	19.7
237.11189	65.7
237.14853	2.8
238.11562	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	237.1234
Annotation	Phe Ala
Peak:m/z	Relative Intensity
58.66862	0.1
63.90705	0.1
65.03953	0.2
67.04166	0.1
69.78811	0.6
70.06592	0.3
72.08167	0.3
80.91586	0.1
84.08125	0.3
86.09706	0.2
90.05557	0.4
91.05464	0.6
93.07054	1.8
95.04954	0.2
103.04784	0.3
103.05468	6.3
105.07013	0.3
118.06530	0.3
120.08103	100.0
121.08435	1.8
129.10229	0.2
146.06059	0.2
181.59328	0.2
191.11873	0.2
192.10201	0.3
237.12343	2.1
237.14709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1234
Annotation	3061-90-3
Peak:m/z	Relative Intensity
59.25856	0.8
65.70622	0.8
67.05503	1.0
67.55969	0.7
68.84515	0.7
69.07065	1.0
70.06590	1.0
70.09330	2.4
71.04974	1.0
74.02444	4.8
79.05490	0.8
81.07040	1.3
83.04995	1.3
91.05470	2.0
93.07038	2.1
94.06577	5.8
99.00803	1.9
103.05487	3.0
104.04961	1.7
107.08602	1.1
118.06560	9.7
120.04464	2.8
120.08109	100.0
121.08450	1.8
121.10160	1.3
123.08070	0.9
127.55373	0.9
128.04977	2.4
130.06551	1.0
131.04953	2.2
132.04462	2.5
132.98741	1.5
136.07590	13.2
146.06012	64.8
147.06409	1.4
148.03940	9.0
149.06007	1.7
150.05530	2.7
158.05981	1.4
163.08571	0.9
166.08644	62.7
167.08948	1.4
168.34654	0.8
171.44765	0.8
174.05499	10.9
175.78648	0.8
185.09344	0.8
188.74329	0.8
188.77380	0.9
191.08188	5.2
191.11755	4.0
192.06607	6.7
202.04999	3.8
220.06046	4.0
237.08789	4.6
237.12469	4.2
237.14931	4.3
237.22203	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	237.1235
Annotation	Phe Ala
Peak:m/z	Relative Intensity
52.76540	0.2
53.03942	0.3
55.05503	0.3
61.22263	0.2
61.83731	0.2
69.07058	0.5
69.09943	1.0
69.10360	0.6
70.06585	0.4
72.08149	0.5
74.02449	0.2
79.05482	0.5
81.07050	0.3
84.08154	0.4
86.09694	1.0
88.04015	0.2
90.05534	0.9
91.05486	1.3
93.07043	2.0
95.04989	0.4
95.08591	0.3
103.05468	7.3
105.07036	0.5
107.04935	0.3
107.08591	0.4
111.04376	0.2
117.01242	0.2
119.08648	0.2
120.08106	100.0
121.06535	0.4
121.08433	1.9
129.10233	0.4
131.04984	0.3
131.08583	0.4
135.08075	0.2
149.05965	0.5
149.70746	0.2
154.79350	0.2
166.08661	0.4
173.13234	0.3
174.12740	0.3
237.12360	1.3
237.14952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03943	3.0
53.80785	0.9
55.01862	2.3
55.05514	73.4
57.03439	5.9
57.06796	1.5
57.07080	31.2
67.05507	73.8
67.55356	1.0
67.61726	1.0
69.03400	1.3
69.07071	100.0
70.07409	1.4
71.04992	4.1
71.08633	13.7
76.85842	0.9
77.35403	0.9
79.05494	38.9
81.07059	88.3
83.04983	4.7
83.08621	84.1
83.09059	1.3
84.08956	1.3
85.06532	3.9
85.10174	4.0
91.05473	6.7
92.58199	1.0
93.07047	48.3
95.08608	67.3
97.06538	29.1
97.09533	2.2
97.10170	45.7
99.08073	4.9
101.09646	1.2
105.07040	1.8
107.08588	31.5
109.10152	26.3
111.04429	1.7
111.07380	1.4
111.08093	18.0
111.11707	8.7
113.09641	3.4
115.11167	1.2
119.08498	1.7
121.10146	71.1
123.11711	22.9
125.05997	1.2
125.09654	6.7
125.13252	2.0
127.11199	4.2
131.26234	1.2
135.11697	54.8
137.13260	16.5
139.11188	6.2
139.14795	1.1
141.12726	4.5
144.55121	0.9
145.40422	1.4
149.12140	1.6
149.13268	21.2
151.14769	2.1
153.05470	1.5
153.12735	2.9
163.14827	7.5
177.16356	3.6
179.10648	1.3
181.04961	1.4
209.11745	3.4
219.21091	46.0
220.21413	1.6
237.22131	85.1
238.22450	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	239.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44615	0.6
56.05011	0.5
58.64500	0.4
60.05640	0.9
63.15136	0.3
68.05013	0.6
69.68758	1.7
70.06594	9.6
80.04982	1.5
82.99827	0.5
84.08115	1.1
91.05440	1.5
93.45890	0.4
97.07656	32.6
98.06027	0.6
98.97574	0.5
100.02462	0.6
101.00854	2.2
110.85503	0.3
115.99400	0.4
116.98598	0.4
118.03509	0.8
119.01917	4.2
119.04939	1.1
126.03960	0.7
130.03464	0.6
135.00755	0.4
136.07571	6.4
137.02959	0.5
137.05602	1.9
138.03969	1.3
138.06543	0.5
139.09761	0.4
144.05052	1.7
151.05203	0.5
152.06723	0.5
153.05087	3.2
154.03470	0.4
155.06654	8.5
156.05067	4.4
156.06369	0.4
156.06848	0.4
160.05692	0.9
162.06100	0.6
165.05505	1.0
168.06172	1.0
169.04599	0.7
170.06606	0.9
171.06163	5.2
173.07727	20.4
174.06139	1.7
174.07663	0.5
177.00818	0.4
179.06624	4.6
179.08012	0.4
180.04993	2.7
180.06306	0.7
182.08119	0.8
185.07655	0.4
187.05652	3.3
190.12007	0.5
193.11002	0.6
197.07707	87.9
198.06102	6.0
198.07907	3.8
205.06726	0.6
210.07222	0.6
215.08769	100.0
216.08806	3.5
222.07269	0.6
235.10712	0.4
238.10257	1.8
239.06863	1.1
239.09869	6.8
240.08340	0.5
240.98837	0.4
257.10913	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	239.1278
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03939	1.8
55.01865	2.1
55.05507	3.8
57.03419	1.7
57.07053	1.0
59.04998	4.0
61.36172	0.9
65.03939	0.9
67.05501	6.8
69.03432	6.0
69.07071	7.3
70.06595	1.5
70.56653	1.2
72.08158	1.6
79.05494	16.3
81.03422	1.1
81.07058	80.3
82.07378	1.2
83.04981	29.8
84.08165	1.1
85.06538	5.2
86.09698	1.6
91.05488	11.5
93.07042	19.3
95.04973	8.2
95.08620	4.3
97.06528	20.1
98.06824	1.0
105.07022	9.8
107.04975	5.9
107.08587	8.3
109.06520	25.8
109.10168	6.8
111.04439	1.8
111.08077	3.5
113.06015	3.0
115.05446	1.8
117.07005	1.9
119.04940	4.8
119.08595	6.8
119.63300	0.8
120.08144	1.0
121.06511	6.4
121.10100	4.4
123.04433	3.5
123.08072	2.3
123.11697	1.2
125.06006	3.5
127.07568	6.9
128.54320	1.0
129.05467	1.2
129.07027	2.2
131.08539	1.8
133.06485	3.0
133.10123	9.7
135.04401	1.8
135.08055	5.8
135.11699	6.3
137.05977	42.9
137.09618	7.6
138.06310	1.0
139.07503	1.8
142.07755	2.5
143.08546	1.4
145.06471	1.1
145.10114	7.6
147.08014	2.3
147.11685	4.2
149.09641	6.9
151.07506	2.4
151.11125	2.6
153.09109	2.9
155.07011	5.3
155.08492	1.7
157.10121	3.7
158.07320	1.8
159.07947	1.2
159.11702	2.0
160.08820	2.4
161.09602	7.7
163.07520	2.5
163.11201	2.4
165.05484	3.4
165.06897	1.2
165.09042	1.3
167.10660	2.4
173.09627	15.0
175.11177	12.5
179.10687	11.4
181.12213	1.4
185.09610	2.9
188.08322	1.4
191.10654	13.8
193.12280	8.9
203.10681	9.7
211.13213	1.2
221.08305	0.9
221.11725	25.1
221.15121	1.1
222.12077	0.8
239.08850	4.3
239.12778	100.0
240.13210	4.6
240.19548	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	239.1278
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
54.13480	1.7
54.24460	1.8
55.01863	2.7
55.05507	3.3
61.02928	10.6
67.05492	5.0
69.03430	4.7
69.60272	7.4
71.01348	4.2
79.05487	8.5
81.03426	2.3
81.07058	9.9
83.04974	8.9
91.05479	14.1
91.05979	2.2
93.07038	13.2
95.04959	8.0
95.08622	3.4
98.22681	3.0
99.04466	2.8
105.07036	17.9
107.04932	5.7
107.08584	13.6
109.06534	9.4
109.10153	6.4
111.04443	17.7
111.08093	3.3
117.07031	4.6
119.04958	2.8
119.08578	11.4
121.06509	6.4
121.10133	7.8
123.08085	3.0
123.11710	3.5
129.05487	19.4
129.06990	3.5
131.08577	2.8
133.06494	3.8
133.10141	21.7
135.08047	37.8
137.05975	6.6
137.09612	7.6
142.07779	5.1
143.08594	3.1
145.06456	4.5
145.10138	5.0
146.07265	2.4
147.08057	2.5
147.11693	4.2
149.09615	100.0
150.09882	2.2
151.11157	17.3
157.10139	9.0
159.08051	1.8
160.08823	7.7
161.09595	31.8
163.07549	3.2
163.11153	4.1
175.11174	29.9
177.09113	6.5
179.10678	8.0
183.06483	2.7
185.09526	3.0
188.08275	1.8
191.10657	4.2
193.12228	5.3
195.10233	1.9
197.08020	3.7
203.10675	10.4
209.11743	2.4
221.11719	8.8
239.08853	2.8
239.12772	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1278
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03951	15.0
55.01873	9.5
55.05506	14.0
57.03437	6.0
57.07082	7.2
59.26225	3.2
61.35727	3.3
65.03938	5.9
67.05522	17.4
69.03429	47.6
69.03777	4.5
69.07077	9.3
71.05005	4.5
71.13028	3.4
71.29376	4.5
79.05496	25.7
81.03424	38.6
81.07059	47.0
83.04968	17.6
89.06041	4.0
91.05489	55.8
93.07043	70.9
95.04964	29.6
95.08620	13.8
97.06559	5.1
99.04449	6.0
105.04537	6.4
105.07029	38.6
107.04967	6.0
107.08597	40.1
108.09431	3.6
109.02883	8.2
109.06512	37.7
109.10162	10.3
110.07317	7.3
111.04431	3.9
111.08069	5.5
113.05949	3.8
117.07045	5.5
119.04944	29.8
119.06003	3.9
119.08584	21.3
121.06509	31.6
121.10135	5.5
123.04461	4.8
123.08093	26.7
123.11777	4.7
127.03928	4.8
131.08556	4.6
133.06505	12.1
133.10143	64.1
133.11079	6.8
135.08031	9.7
135.11714	8.7
136.08842	7.6
137.05981	17.1
137.09619	21.6
138.10413	10.4
140.03088	3.4
142.07851	4.0
147.04420	63.7
147.08023	4.4
147.11696	22.5
149.09616	4.2
151.11259	6.7
153.68185	3.4
155.03424	5.1
157.10127	7.7
159.07938	4.9
160.08813	4.8
161.05975	5.2
161.09628	46.5
165.05479	64.5
165.12782	3.9
166.09718	3.3
175.11194	59.2
177.12756	7.8
179.10681	80.3
193.12280	13.6
203.10628	19.3
221.11783	10.1
239.08893	100.0
239.12640	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03932	1.6
55.01871	3.6
55.05515	3.9
57.03430	1.5
57.07067	2.2
59.04998	1.5
67.05503	6.8
69.03424	4.2
69.07068	6.8
70.06600	1.9
70.34046	4.2
71.04999	2.5
79.05479	7.3
81.03436	1.8
81.07066	9.7
83.04987	5.3
85.06561	2.1
86.09705	2.4
87.67455	1.2
91.05473	14.6
93.07041	10.6
95.04973	6.9
95.08595	4.9
97.06538	4.7
98.09685	2.5
99.04478	1.8
101.15755	1.5
103.05421	1.9
105.07028	32.3
107.04971	2.7
107.08587	11.3
109.06516	8.1
109.10145	3.0
111.04430	1.6
115.05436	3.6
117.07000	6.3
119.04914	2.2
119.08581	34.2
121.06498	10.6
121.10135	10.6
123.08039	4.1
129.07005	3.8
131.08548	6.1
133.06487	10.5
133.10138	19.2
135.04407	6.2
135.08066	5.7
135.11707	3.6
137.05966	4.5
137.09587	3.6
139.07555	1.9
142.07788	8.0
143.08586	3.0
145.06464	7.9
145.10127	16.1
147.04448	1.8
147.08058	22.9
147.11682	17.9
149.06003	11.2
149.09613	6.4
151.07524	1.7
151.11176	3.4
157.10098	15.2
158.07304	2.0
159.08052	14.7
159.11652	1.5
160.08818	17.9
161.05965	20.8
161.09631	17.8
162.10378	5.5
163.07613	2.5
163.11188	11.8
165.09122	3.5
167.07158	1.4
173.09601	4.9
175.11183	32.5
177.09093	4.0
178.09865	3.1
179.07047	9.1
179.10654	4.4
185.09607	4.9
188.08357	4.2
191.10687	11.9
193.12242	100.0
194.12683	1.9
203.10709	11.0
209.11705	2.4
211.18044	2.4
221.11728	56.9
222.12042	2.3
239.08881	6.1
239.12758	42.0
239.16463	2.7
240.13069	1.5
240.19597	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	240.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.05505	23.3
57.03435	5.0
64.05396	4.5
66.37755	4.8
67.05497	64.6
67.05833	5.3
69.07069	22.4
70.06599	5.1
71.01411	7.5
71.04985	9.7
72.04511	10.6
79.05488	60.6
80.41428	4.3
81.07053	100.0
82.60995	4.7
83.04978	11.3
83.08627	20.9
85.06542	8.3
86.09702	5.5
91.05481	32.2
93.07042	73.6
93.42662	4.0
95.04944	5.6
95.08585	24.4
96.04507	4.4
97.06527	9.5
98.97610	5.1
99.08096	6.5
105.07021	15.7
107.08594	52.8
109.06574	5.6
109.10175	5.6
111.08030	6.1
116.98603	5.0
117.07043	9.9
119.08572	5.4
121.06493	5.6
121.10135	14.0
123.11728	29.6
124.07602	6.8
128.24992	4.4
131.08585	12.4
131.09515	4.6
133.10106	22.2
135.11687	10.9
148.11221	4.8
149.13272	46.8
154.61636	6.1
159.11742	24.9
177.12747	10.5
195.13789	43.0
204.13841	11.3
222.14967	8.6
240.09261	14.1
240.12343	11.0
240.16006	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	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.4
55.05502	0.3
56.96564	13.8
58.06596	6.8
68.92535	0.2
70.06593	1.4
70.78075	0.4
70.98125	0.7
71.95259	3.5
72.08163	0.5
81.03398	0.2
84.08141	3.9
84.08615	0.3
86.09684	0.3
88.99199	0.3
98.09713	0.5
98.97578	100.0
99.97920	0.5
100.11231	0.3
106.39102	0.2
110.07129	0.5
112.00713	0.4
116.10706	0.2
116.98614	48.0
117.98957	0.3
124.13086	0.2
128.10710	1.3
130.01709	0.3
134.99654	15.3
140.00188	0.6
144.10178	0.4
153.00731	1.2
156.96596	0.3
158.01239	0.4
164.03108	0.2
168.10216	0.2
174.97673	0.6
177.00945	0.3
188.80385	0.2
196.09665	2.0
197.01271	0.2
215.02290	0.7
216.98669	1.9
219.63043	0.2
233.03459	0.3
234.99727	1.1
240.98637	1.6
241.15446	36.8
242.15666	0.9
258.43924	0.2
258.99747	22.0
259.09467	0.5
259.99997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.3
55.01869	6.8
55.05512	13.0
57.03435	3.1
57.07065	3.0
59.00272	2.7
59.05006	3.7
64.44077	2.5
67.05502	12.6
69.03429	22.2
69.07083	8.8
69.61429	12.3
70.06596	14.1
71.05001	6.5
72.08152	10.5
79.05511	11.5
81.03428	9.7
81.07082	17.9
82.06570	5.5
83.04987	29.5
83.06089	3.4
84.04506	9.4
84.08149	5.5
85.06554	4.6
86.09708	14.9
87.04472	8.3
91.05479	27.8
93.07046	85.4
95.01357	5.5
95.04986	24.3
95.08611	9.9
96.08121	4.5
97.02897	7.0
97.06533	10.6
98.22684	3.9
98.97599	11.4
99.04472	4.4
103.05460	4.9
105.07010	14.1
107.08596	11.0
109.06509	9.6
109.10156	6.8
110.07179	7.7
111.04460	3.4
111.08083	7.5
113.05988	2.7
114.09169	10.3
116.98651	4.8
117.07034	5.9
119.08585	8.4
121.06505	100.0
121.10107	15.8
123.00730	3.6
123.04391	3.8
123.08080	4.6
123.11719	3.7
127.07574	10.4
129.06941	2.7
131.08577	5.6
133.10178	12.0
135.08073	9.7
135.11723	7.2
137.05911	4.4
137.09636	8.5
139.07515	15.9
145.10156	9.0
147.08115	3.8
149.09622	29.6
151.03906	4.8
151.07516	5.0
153.01851	4.9
153.09123	3.1
155.10805	2.7
156.07753	5.1
157.09956	2.9
159.11717	19.3
161.09648	6.8
163.11241	8.3
167.07043	3.8
171.02946	3.9
175.11179	10.7
177.12781	10.3
179.10649	4.9
181.01276	3.7
182.09663	5.3
187.11171	6.4
199.02377	42.0
205.12225	17.1
212.07237	3.6
213.03874	15.3
221.07535	4.3
223.13297	10.9
230.07983	4.0
241.03246	27.6
241.14128	4.4
242.17477	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01863	10.3
55.05506	10.9
57.03434	6.4
57.07059	4.3
67.05502	29.8
68.99818	5.4
69.03427	34.1
69.07071	7.2
70.34875	11.7
71.01365	3.9
71.04984	7.7
72.08154	4.2
79.05489	24.7
81.03410	13.3
81.07057	18.2
83.04977	12.8
84.08153	4.5
85.02895	6.7
86.09709	7.9
87.04449	5.1
91.05470	46.5
93.07044	46.7
95.04954	21.6
95.08601	24.0
97.02874	10.2
97.06540	11.1
99.04469	17.9
100.34031	3.9
103.05460	16.1
105.07031	53.2
107.04956	10.7
107.08591	38.2
109.06521	28.2
109.10134	22.9
111.08057	22.1
116.98643	3.7
117.07024	16.9
119.08573	42.1
121.06495	32.9
121.10122	27.4
123.08077	13.7
123.11727	5.5
125.09675	5.1
129.07025	10.8
130.07779	5.1
131.04982	4.4
131.08551	22.3
133.10129	23.3
135.08061	16.9
135.11700	8.7
137.09618	100.0
142.07751	6.2
143.08569	4.4
144.09238	5.6
145.06499	6.2
145.10110	30.0
147.08073	10.7
147.11694	16.6
149.05975	83.8
149.09621	23.9
151.07513	8.8
157.10121	11.1
159.11684	34.5
161.09641	10.0
163.07599	5.8
163.11157	14.3
166.62553	4.0
167.08514	4.4
175.11212	28.2
177.12766	11.9
179.10625	4.5
183.10188	5.0
187.11218	11.1
193.12294	16.1
195.14915	3.6
205.12277	25.1
223.13266	12.0
223.18927	4.4
238.91927	4.0
241.14326	9.3
241.19768	10.7
243.41638	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	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03945	4.2
55.01871	4.7
55.05513	30.9
57.03434	6.8
57.07058	2.3
67.05505	12.2
69.03435	5.9
69.07071	6.5
71.04993	5.4
72.08165	4.5
73.02908	2.0
79.05494	22.2
81.03432	3.6
81.07058	31.7
82.07368	2.1
83.04986	65.8
83.08610	2.1
84.04478	2.6
84.08142	2.9
85.06533	4.4
86.09709	6.9
87.04475	10.4
91.05480	20.4
93.07040	31.7
95.04980	6.8
95.08593	9.6
97.02895	5.2
97.06519	4.7
98.97562	1.7
99.04523	2.5
105.07024	21.0
107.04952	4.3
107.08598	85.4
108.08943	2.4
109.06512	12.7
109.10153	11.3
110.07166	2.0
111.04443	2.7
111.08069	8.4
115.03944	5.5
117.07018	12.3
119.06100	1.9
119.08582	36.8
119.19220	1.4
121.06530	6.9
121.10141	8.7
123.04433	3.5
123.08073	9.3
125.02393	2.3
125.06015	3.1
125.09631	9.0
127.11143	2.2
131.08575	6.1
133.06442	1.7
133.10126	11.4
135.08055	100.0
135.11699	5.9
137.05984	32.6
137.09613	11.0
139.07578	2.9
141.09100	1.6
142.07663	1.5
144.09366	2.7
145.10118	4.1
147.11737	2.3
149.05969	7.9
149.09590	10.2
149.13313	4.9
151.07550	4.4
151.11182	3.0
153.09090	10.1
157.10132	2.3
159.11702	20.0
161.09639	2.7
161.13237	13.9
163.07539	15.1
163.11211	7.4
171.16078	1.6
175.11156	5.8
177.12749	16.7
179.10703	8.0
181.08601	90.2
181.12112	3.4
182.09012	3.1
187.11235	4.7
193.12241	4.5
205.12195	15.8
223.13286	36.5
241.10405	1.9
241.14320	27.3
241.19901	5.4
242.17580	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.9
60.08165	5.1
69.67087	1.4
84.08150	0.9
88.75794	0.3
89.56749	0.3
94.06567	1.0
97.07678	0.4
98.23338	0.4
104.10747	100.0
105.11092	1.2
120.74316	0.3
138.05573	0.4
138.88741	0.3
152.07130	0.7
171.20392	0.3
198.98480	0.7
199.07513	0.6
217.08565	0.6
241.15494	7.5
241.17963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.6
58.06600	19.9
59.06937	0.2
69.65541	0.5
69.65929	0.6
69.79038	0.2
70.06591	5.3
71.21973	0.3
71.95275	1.9
72.08147	0.8
77.04346	0.2
80.05010	0.3
81.03439	0.4
84.08142	9.6
86.09721	0.3
97.07648	4.0
98.06067	0.3
98.07999	0.3
98.09709	1.4
98.97584	47.9
99.04371	0.2
99.97904	0.5
100.11226	0.6
104.10731	0.4
114.05559	0.4
116.07097	0.4
116.98621	28.1
119.01903	0.4
121.01688	0.4
125.06970	0.2
126.05508	0.4
126.09203	0.3
128.10715	2.9
131.01901	0.4
134.99657	10.3
140.00206	0.5
144.10173	1.3
151.78249	0.2
152.10762	0.5
153.00699	1.4
155.04878	0.4
157.06459	0.9
158.01244	0.3
158.04837	0.6
168.10226	0.8
173.05991	0.4
175.07491	2.6
177.00932	0.9
181.06277	0.6
182.04839	0.3
189.05449	0.6
195.12160	0.4
196.07898	0.4
196.09682	5.5
196.11401	0.4
197.10037	0.2
198.07895	0.3
199.07439	10.3
200.05872	0.3
202.46541	0.2
213.15959	0.4
216.08972	0.3
216.98647	0.4
217.08517	11.9
218.08963	0.3
219.01952	1.7
224.70656	0.3
234.99875	0.4
240.10254	0.3
240.98769	0.5
241.15460	100.0
242.15781	2.4
253.95474	0.3
258.99753	11.9
259.10733	0.4
259.99936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43652	0.9
55.01867	1.0
56.05035	2.4
56.96558	3.3
57.03434	1.5
58.06596	14.7
59.06938	4.2
60.08147	1.1
67.05518	0.9
69.07048	1.2
70.06590	2.7
71.01364	1.7
71.27861	1.0
72.08160	3.1
73.02905	1.2
76.38409	0.9
77.27682	0.8
81.03432	2.0
81.75604	0.8
83.04994	0.9
83.06109	14.6
84.04501	8.4
84.08146	17.9
85.02903	1.2
85.08486	3.8
85.89617	0.8
86.09706	11.1
87.04471	1.4
97.02911	1.7
98.97585	8.1
101.00898	2.9
101.02374	3.2
104.10747	30.0
105.11063	7.3
110.06050	1.5
110.07185	2.2
115.03923	5.1
116.98640	5.9
119.01913	10.3
128.10742	1.7
129.01820	3.2
129.10257	7.4
129.11095	2.6
131.01898	1.5
132.10211	2.8
133.03464	1.2
134.99666	4.5
136.04510	1.1
137.02956	2.9
143.03398	2.6
144.10220	1.5
157.01341	4.6
160.04613	0.9
160.07475	0.9
161.02922	1.7
161.04425	2.1
177.00970	12.3
177.96605	1.5
185.03078	1.0
189.02341	1.5
189.03938	11.4
189.05518	1.4
196.09685	1.1
197.10103	4.8
197.12888	3.0
201.00868	1.5
217.04181	1.2
217.99431	1.3
219.01987	16.3
219.03868	1.7
224.09247	1.2
225.16071	1.1
229.75906	0.9
242.15805	100.0
243.01901	4.1
243.13695	1.1
243.16600	1.7
259.99908	2.2
261.03055	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.3
56.96553	1.3
60.05632	0.8
69.07091	1.5
70.06592	6.0
70.17334	1.9
72.93781	1.0
80.04984	0.9
81.03404	1.2
82.06546	0.8
83.06075	0.9
84.04505	16.7
84.08132	2.8
86.09702	21.9
89.94019	0.7
90.89472	0.7
94.06554	0.9
98.97581	3.1
110.06040	0.8
110.07163	1.2
110.09712	0.8
112.03707	7.8
116.07067	1.3
116.98605	3.1
129.10231	0.9
132.10201	8.1
134.99658	1.7
136.03857	0.7
136.07629	0.9
150.09131	0.7
152.07083	1.2
153.05217	7.0
158.09254	1.0
171.06226	0.8
173.74879	0.7
178.12268	0.7
188.81343	0.6
196.09703	2.0
197.12851	6.2
224.08980	8.6
224.16498	2.2
233.61063	0.6
242.09993	100.0
242.17476	21.5
242.28368	0.9
243.10268	2.2
243.13432	0.9
243.18082	2.8
259.99963	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	242.1387
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
50.23010	0.8
55.01870	2.6
55.37445	0.8
58.06589	1.3
58.21732	0.9
66.09286	0.9
67.05499	1.5
69.07068	5.0
69.08128	7.0
70.06601	9.7
77.98121	0.8
81.07047	1.3
82.06571	1.2
84.04506	24.1
84.08113	1.4
86.09708	26.8
87.04466	17.6
91.05508	1.1
93.07046	1.9
94.06549	3.6
98.97582	2.2
107.04926	1.7
108.08045	1.0
109.06478	1.3
110.06001	1.8
110.09681	21.8
111.09962	1.1
112.07600	2.4
113.06004	1.1
114.09161	2.8
115.03950	3.4
116.98611	2.0
121.06558	1.5
121.58718	1.0
128.10701	8.4
129.06546	0.9
132.10199	11.7
136.07578	5.8
138.09108	1.4
139.07529	1.8
141.06633	1.6
149.05989	1.3
150.12790	1.0
154.08606	7.3
160.11259	1.1
164.10725	24.2
167.07040	1.3
178.12268	9.8
182.11758	16.5
196.11537	1.7
196.13341	31.8
197.12819	10.0
206.11771	8.8
207.10185	1.3
224.12820	98.8
225.13148	2.1
242.13870	100.0
243.14149	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	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93531	0.2
56.05051	0.2
56.96565	1.2
58.06604	0.4
68.53636	0.1
69.86566	0.3
69.86946	0.3
70.06600	0.7
71.95277	0.5
72.93797	0.6
75.39739	0.1
80.29530	0.1
82.99890	0.5
84.04516	1.2
84.08144	1.8
86.09711	1.1
86.84933	0.1
89.94042	0.3
90.94878	0.3
95.06118	0.1
98.97588	7.3
100.97171	0.4
100.97990	0.2
101.00883	4.7
102.01041	0.2
110.07170	2.2
114.09181	0.4
116.98627	5.1
118.98235	0.2
119.01919	12.2
120.01982	0.3
122.97784	0.2
129.10205	0.2
132.10233	0.5
134.99686	2.9
137.02966	2.4
140.00150	0.2
140.98849	0.6
149.96126	0.2
153.00848	0.6
156.07672	0.6
157.18039	0.2
158.99892	3.0
161.96109	0.2
173.07806	0.2
175.03014	0.5
177.00952	23.5
178.01064	1.5
179.08165	0.2
182.99918	0.5
191.97128	0.2
193.04089	0.2
195.02068	0.4
197.10272	0.2
197.12881	0.4
200.02534	0.2
201.00905	2.6
201.02489	0.3
201.07173	0.2
202.01091	0.2
215.10075	0.2
217.02145	0.3
217.04091	3.2
219.02008	27.4
220.02127	2.4
221.01701	0.4
225.00876	1.9
225.09904	0.3
234.00670	0.4
238.26010	0.1
242.03619	0.3
242.15750	1.7
243.01973	9.5
243.10939	0.3
243.13489	0.2
243.16035	0.6
244.02191	0.7
244.15730	0.3
261.03052	100.0
262.03177	6.1
263.03436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94096	8.0
67.05504	14.0
67.90577	6.9
71.04974	8.0
71.29729	10.9
79.05500	31.2
79.25288	6.9
81.07075	16.4
84.08131	8.1
84.93527	7.6
86.09746	8.6
90.36261	9.8
90.87830	7.9
91.05473	18.2
95.04987	9.0
95.08574	8.5
98.97558	16.5
105.07028	18.2
107.04964	32.3
109.10152	35.0
116.98595	9.0
119.08539	8.4
137.09625	45.7
143.08595	12.0
147.08055	25.9
154.09261	8.8
161.09619	100.0
165.09093	71.3
179.10680	14.7
198.57726	9.0
207.10161	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	243.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	5.2
56.96568	1.3
58.54986	1.0
67.05479	1.3
69.07085	1.9
70.06599	5.0
71.29010	1.3
71.29487	1.2
81.07039	1.6
83.04983	1.1
84.04507	77.2
84.08139	3.5
86.09707	100.0
87.10058	1.4
88.04809	1.2
91.05434	1.4
94.72598	1.1
98.97576	4.4
107.08640	1.5
111.10015	1.1
113.07155	1.9
116.98612	2.2
129.06596	4.5
132.10213	45.2
134.99690	1.8
141.06569	4.6
183.12143	1.5
197.12808	33.1
197.46245	1.1
208.16972	4.9
225.13190	9.2
226.17996	4.2
243.13817	13.6
244.19081	16.5
256.92319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05032	5.5
56.96562	1.6
58.06603	0.4
64.51046	0.4
67.28522	0.3
69.07076	3.1
69.46468	1.7
70.06586	1.6
72.08152	4.5
83.06099	12.8
84.04503	86.3
84.05834	1.4
84.06432	7.0
84.08138	5.1
85.02907	0.8
85.04830	0.9
86.09704	100.0
87.10036	0.9
96.69532	0.3
98.97585	1.6
102.05543	0.7
110.07171	0.5
113.07153	1.0
114.09141	0.4
116.98627	1.4
119.21274	0.4
129.06590	6.3
129.10289	0.4
132.10201	41.5
133.10542	0.4
141.06584	2.8
152.10733	1.1
155.08144	0.4
168.14169	0.3
169.13469	0.4
171.45639	0.4
190.95462	0.4
196.14426	0.4
197.12857	36.5
198.11320	1.3
198.13194	1.1
201.00706	1.0
215.13983	1.8
219.01845	1.3
225.12369	1.2
243.08215	0.4
243.13350	5.0
243.15379	5.8
243.17432	0.7
244.15637	0.5
257.80548	0.4
260.96024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.9
55.01869	3.5
55.05514	20.8
57.03435	14.3
57.07076	10.1
58.06595	2.8
61.02925	13.3
64.93827	2.8
65.47884	2.5
67.05502	39.7
69.03436	9.8
69.07054	17.3
70.06590	19.8
71.05003	3.6
71.08631	35.7
71.30063	3.4
71.30450	2.8
72.08168	3.5
73.02930	3.1
79.05495	19.8
81.03412	32.2
81.07056	43.1
82.06593	4.9
83.04963	20.2
83.08597	4.5
84.08148	17.4
85.02944	3.7
85.06548	11.4
86.09721	8.1
87.04483	8.0
88.11279	13.7
89.09680	2.6
91.03938	6.3
91.05473	13.3
92.01320	3.9
93.07044	26.9
95.04970	13.3
95.08619	11.2
96.36954	2.8
97.02911	10.4
97.06547	7.2
97.47386	2.6
99.08102	9.4
100.07597	4.3
105.07042	16.1
107.04985	4.0
107.08605	12.8
109.06533	8.7
109.10159	20.9
111.03748	2.7
111.04424	14.6
113.09695	3.4
115.03903	4.6
116.98632	3.4
117.07082	5.1
119.08595	9.9
121.10155	8.2
123.11708	12.9
125.06012	3.7
125.12548	2.6
129.07031	3.9
131.08540	4.1
133.04997	3.4
133.10143	9.4
134.99652	2.9
135.08038	4.2
135.11725	7.3
137.09790	4.2
141.12769	5.3
145.10141	4.3
147.11662	4.6
151.11218	4.6
153.12744	13.7
155.08542	4.5
157.10129	4.0
159.11736	8.3
161.13306	6.5
170.15402	100.0
171.11682	4.3
173.13248	3.9
177.12732	5.4
189.12808	4.6
193.75562	2.8
195.13829	9.4
198.14894	87.9
198.16652	5.5
207.13873	9.6
225.14635	4.2
243.06471	3.1
243.11227	5.1
243.13728	4.5
243.15714	5.7
243.17697	5.0
243.21121	6.8
244.22778	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37715	0.3
55.01875	1.9
55.05509	1.4
56.05040	3.4
57.03439	1.1
57.05843	0.4
58.06599	100.0
59.06928	0.7
61.22632	0.3
65.03945	0.4
67.05502	1.7
69.03426	0.7
69.07068	1.2
70.06590	9.7
71.04993	0.4
71.06959	0.4
71.07381	0.9
71.28866	0.8
72.08155	62.8
73.02917	0.6
73.08484	1.0
74.02438	3.0
79.05484	2.8
81.03406	0.4
81.07056	3.3
82.06583	1.2
83.04987	0.6
83.06097	0.4
84.04506	1.5
84.08144	9.1
85.02888	0.5
85.04847	0.4
85.06566	0.3
85.08466	0.5
85.08928	0.6
86.09708	3.8
86.54111	0.4
87.04465	1.5
87.10073	0.4
88.07634	0.4
91.05464	1.3
93.07044	3.4
94.06548	0.4
95.04951	0.8
95.07342	0.8
95.08606	5.4
96.08137	1.2
97.06522	4.1
98.09696	1.0
101.02382	2.7
102.09179	0.6
104.05292	0.4
105.07030	0.8
107.04933	1.7
107.08570	1.8
108.08095	1.5
109.02921	0.4
109.06529	0.9
110.09679	13.3
111.04415	1.9
111.08074	0.4
115.05453	1.6
116.07072	0.7
116.20641	0.3
117.07035	2.2
120.61386	0.3
121.06496	0.7
121.10129	1.5
123.04421	0.4
123.08058	1.1
124.11221	2.3
129.10233	2.5
130.06535	3.6
133.10088	0.3
133.89328	0.4
135.04405	3.6
135.11743	0.6
136.05183	1.2
137.05945	1.0
139.07524	0.4
142.04951	0.4
142.06512	0.7
143.07295	0.9
144.08080	23.2
145.06429	0.4
145.10063	0.5
149.09621	0.7
153.06969	1.2
155.06992	0.4
157.07559	1.3
161.28229	0.3
163.11191	3.0
167.10622	0.6
170.06001	7.2
177.09064	0.7
180.13766	1.4
181.06445	2.2
181.12144	0.6
186.11150	0.6
195.10147	0.6
198.14813	0.5
199.07515	1.2
203.08145	3.3
208.13289	1.2
208.16765	0.4
209.05905	0.7
226.14442	7.3
226.17993	13.8
227.06923	0.6
244.15350	68.9
244.18982	58.3
245.09062	2.7
245.15630	1.5
245.19339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94180	0.3
55.01841	0.4
55.05489	1.2
55.05722	0.3
56.05038	1.8
56.74555	0.3
57.03437	3.3
58.06602	6.4
58.73084	0.4
67.05503	2.3
69.07056	0.9
69.16438	0.7
69.16846	1.8
70.06599	3.2
71.04992	0.7
71.07355	0.8
72.08157	17.2
79.05500	2.7
81.07059	4.7
82.06567	0.6
83.04965	0.6
84.08145	6.7
85.02892	0.6
85.06523	0.8
85.08473	0.3
85.08932	3.5
86.09716	2.5
88.07642	0.5
91.05463	1.1
93.07034	3.4
95.08611	3.1
96.08109	1.2
97.06496	0.6
98.09120	0.4
98.09698	3.5
98.23374	0.7
105.07019	0.8
107.08583	2.0
109.06476	0.5
109.10175	0.5
110.09664	0.6
111.08125	0.3
112.11221	0.6
113.06006	0.3
117.06973	0.5
119.08559	1.1
121.10145	3.3
123.08032	0.5
129.10223	0.5
132.08023	0.3
135.11667	2.0
138.06567	0.3
145.10107	1.3
159.38805	0.3
163.11203	2.4
170.06082	0.3
181.12186	0.7
182.19125	0.3
187.08656	0.4
208.17065	1.6
226.18021	55.4
227.18365	1.1
244.19089	100.0
244.67372	0.4
245.19386	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	244.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
56.05029	2.5
57.03438	1.6
58.06321	1.1
58.06603	15.3
67.05495	4.0
69.07059	2.6
70.06596	12.5
70.61146	1.9
71.05000	1.6
71.07373	1.6
72.08150	17.9
73.02602	1.0
79.05481	2.5
81.07063	12.7
82.06577	1.6
84.04485	1.1
84.08146	10.7
86.09705	8.2
88.63768	0.9
90.55180	1.2
91.05466	2.5
93.07039	7.2
95.08611	7.2
96.08117	2.0
97.06547	1.3
98.09678	3.2
98.97579	1.6
100.39500	0.9
101.40401	1.0
103.61957	1.0
105.07011	1.9
107.08591	4.3
109.10155	2.3
110.09673	1.8
112.11259	1.1
119.08543	1.9
121.10162	1.1
123.08073	1.3
129.10248	1.6
135.11659	2.2
149.13242	1.5
177.12746	2.3
184.16873	1.3
199.15256	1.2
208.16974	14.4
226.10713	1.9
226.18022	55.2
227.14597	1.3
227.18304	1.1
244.19087	100.0
245.19374	4.0
253.61086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1909
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
55.01877	1.3
55.05508	0.7
56.05040	0.8
57.03433	1.3
58.06585	2.3
67.05498	2.4
69.07068	1.5
69.44066	1.5
69.44493	2.3
70.06594	7.5
71.04984	1.3
72.08157	59.1
73.08512	0.9
79.05502	2.8
81.07064	5.0
82.06570	0.7
82.07390	1.0
83.05002	0.8
84.08154	6.0
85.06520	0.8
85.08924	0.8
86.09711	2.3
87.04466	0.9
88.07619	1.7
91.05476	1.2
93.07039	2.1
95.08598	5.7
96.08133	1.1
97.06525	3.6
98.09698	3.0
98.97558	0.7
99.09975	0.6
100.07613	0.6
105.06994	0.9
107.08601	1.9
109.10100	0.8
110.09677	1.0
112.11229	1.8
119.08571	0.9
121.10139	0.9
124.11211	1.4
129.10214	1.2
135.07985	0.9
135.11693	1.2
137.89023	0.5
144.41849	0.6
145.10164	0.6
163.11162	2.8
180.06462	0.5
198.14946	1.0
199.15199	2.1
208.16998	0.7
225.55563	0.6
226.10770	0.9
226.18005	26.0
227.14728	2.6
244.19086	100.0
245.05249	0.5
245.19498	2.9
247.57124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.8
56.05035	2.4
56.96565	100.0
57.41244	0.6
58.06605	1.1
60.04510	0.7
60.05648	2.5
60.95845	1.1
67.05497	1.2
68.28667	0.7
69.07065	4.4
70.02954	1.0
70.06594	21.7
70.26244	1.4
71.05000	1.4
71.95263	4.1
72.08158	33.2
72.96052	3.6
73.08486	0.8
73.27469	0.7
74.00666	1.4
74.06100	1.1
76.05798	0.8
76.71852	0.8
79.05492	1.7
81.07062	0.9
82.06584	1.9
84.04498	4.5
84.08143	51.4
84.96042	2.6
85.02919	0.9
85.04039	1.5
85.04842	1.0
85.08485	2.9
86.09709	12.3
87.05592	2.3
87.10029	1.3
88.07587	0.9
93.07052	1.1
95.04952	1.0
95.08578	0.9
96.08154	3.9
97.06535	1.2
97.99217	1.7
98.02422	1.0
98.06083	0.8
98.97580	7.7
100.07614	5.2
100.11256	5.0
101.00898	2.5
101.10802	1.1
102.05536	0.9
102.96897	1.4
107.04939	1.5
110.02393	2.0
110.06046	0.8
110.07204	0.7
112.08732	2.8
113.10757	1.5
114.06653	1.9
114.09169	8.3
115.08706	1.3
115.09490	1.6
116.00113	0.8
116.07086	3.7
116.98631	4.1
119.01911	5.4
120.97902	1.6
120.99628	1.3
124.03950	1.2
128.10725	1.7
128.98650	1.3
129.10246	16.3
130.08641	6.8
130.09665	1.3
131.01839	1.2
132.10228	1.5
134.99632	1.6
135.04422	2.4
136.99165	2.6
137.02931	0.8
138.98941	1.0
139.00670	9.2
141.10239	4.0
143.01935	1.3
145.03519	1.3
147.07654	1.7
147.11279	9.4
153.06979	1.2
155.00151	13.1
155.01945	0.9
155.11862	0.8
157.01736	10.0
157.03403	1.6
158.09277	2.1
161.02994	3.6
164.98557	6.7
166.08601	2.7
167.91641	0.7
171.05850	1.0
173.01225	24.8
173.02693	1.1
174.04402	1.1
175.02783	24.6
175.04318	1.3
175.11942	4.4
179.00784	0.9
181.06430	1.6
181.09674	0.8
182.99657	62.3
184.99571	0.7
186.04422	1.5
187.10767	2.3
191.02293	6.8
193.03867	12.3
197.02960	0.9
199.07542	1.5
201.00710	96.6
202.01036	1.6
203.03943	1.7
204.05518	1.1
206.01265	1.1
210.14941	1.0
212.09164	2.7
219.01768	41.0
221.02806	1.0
221.04970	1.3
224.02304	1.9
226.14339	0.9
227.04109	0.8
227.06946	0.9
228.15956	1.1
228.19615	2.3
229.12968	1.0
237.02820	2.9
244.15231	4.7
244.19147	3.0
244.99965	3.4
245.05054	6.8
245.11852	1.2
245.15785	3.2
245.18991	1.7
246.15536	4.5
246.17554	3.2
246.20706	2.1
263.00745	4.9
263.03214	4.3
263.06186	1.6
263.09174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	Gnetol
Peak:m/z	Relative Intensity
53.03951	1.0
55.01874	2.9
55.05527	0.8
56.05058	2.1
57.03461	0.6
58.06622	2.2
59.06939	0.6
60.05691	0.5
61.01159	1.1
65.03958	1.4
68.99834	0.6
69.07078	0.6
69.80701	2.0
70.06590	6.8
71.01366	0.6
72.08150	18.3
73.08516	2.1
74.02441	2.3
77.03952	1.0
79.05500	5.5
81.03426	4.1
81.07062	1.1
82.90145	0.5
83.08685	0.5
84.04520	1.0
84.08138	5.3
85.05329	0.5
85.08468	0.6
86.06070	1.2
86.09701	4.8
89.03913	3.4
90.04680	0.6
91.05484	1.4
93.03419	1.2
93.07056	0.8
95.04992	1.6
95.08636	1.2
97.06544	1.3
98.09699	0.8
98.22652	0.7
103.05525	0.5
104.05341	1.1
107.04954	53.2
108.05314	0.9
109.02878	10.8
110.03658	0.9
111.04430	2.4
115.05509	1.1
117.03392	3.4
117.07027	1.3
119.04948	0.7
121.02874	1.2
123.04415	8.8
124.11240	1.0
128.06248	3.3
129.06987	2.8
129.10236	2.1
130.06552	2.8
131.04910	0.6
133.02844	1.3
134.03633	3.2
135.04411	100.0
136.05211	21.1
137.02362	0.7
137.05995	3.8
139.03897	2.3
142.06558	1.1
143.07310	0.8
143.08562	2.0
144.08080	17.6
145.03979	2.1
152.06200	9.9
153.06989	49.3
154.07344	1.2
157.06502	2.8
157.07607	1.0
169.06482	1.1
170.06006	4.5
171.06671	0.8
171.07991	3.3
172.11494	1.5
181.06473	53.8
182.06854	1.7
184.05168	0.8
185.05910	1.0
193.12263	0.5
197.05942	0.7
198.06760	0.7
199.07530	32.2
200.07819	0.7
203.08142	2.2
209.05951	9.3
217.08441	1.1
217.13705	1.5
219.29723	0.5
226.17987	1.8
227.04868	0.9
227.07027	15.3
227.18336	2.7
228.15779	1.0
244.19092	6.6
245.08006	28.2
245.15788	1.0
245.19380	8.0
246.13350	0.6
259.29263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01865	15.4
55.05517	92.4
57.03431	28.5
58.11929	6.1
58.97104	6.4
67.05507	17.5
69.03429	18.7
69.07066	11.6
70.06596	13.6
71.29636	6.2
71.30150	6.0
79.05489	23.9
81.07053	18.4
83.08627	39.9
86.09699	17.7
91.16528	6.7
92.07165	7.0
93.07052	7.3
93.21630	6.0
97.06563	8.4
97.10170	100.0
105.07066	7.5
107.08612	38.6
107.19913	6.0
111.08027	6.3
125.09640	98.2
135.08020	14.3
136.84253	6.9
144.08093	7.2
167.08218	6.6
171.11626	7.0
183.00792	7.4
189.11256	75.8
208.42163	6.3
217.12450	7.0
227.10818	12.0
245.11642	19.1
245.13878	57.8
246.13438	8.0
262.73856	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	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74416	0.6
68.31913	0.7
69.07072	1.6
70.06587	3.8
71.28375	0.7
71.28737	0.7
72.08154	2.1
84.08137	3.7
86.09709	100.0
87.04459	0.8
88.07716	0.7
107.08566	0.7
107.58727	0.7
116.98658	0.8
123.04465	0.8
132.10190	5.1
199.18135	3.1
209.17418	0.9
227.18376	3.8
228.12355	1.3
245.15955	1.0
245.19389	9.4
246.07410	2.6
246.13472	2.1
259.36356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
54.53154	0.2
56.05014	0.3
57.05829	0.3
58.06603	0.6
61.56606	0.2
67.05504	0.3
68.05848	0.2
69.07072	12.1
70.06590	1.2
71.28265	0.3
72.08174	0.3
80.97387	0.2
84.08144	0.4
86.09710	100.0
87.09565	0.2
87.10036	1.1
95.08631	0.3
109.09448	0.2
123.56992	0.2
132.10210	1.3
199.18108	0.5
209.17400	0.8
227.18358	2.2
228.12585	0.3
245.13310	0.3
245.15962	0.4
245.19160	4.1
246.13533	0.3
246.18687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
53.69705	0.3
60.84160	0.3
69.07062	0.5
71.07548	0.5
78.91616	0.3
86.09702	100.0
87.10036	0.8
132.10207	2.9
190.85565	0.3
199.18065	1.6
206.52682	0.3
245.18559	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	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.23159	0.4
51.30597	0.4
55.05511	13.3
56.05031	0.5
57.05812	1.6
65.56261	0.4
69.07069	0.8
69.72851	2.0
72.08155	100.0
73.08488	0.6
86.09705	50.1
87.10039	0.6
92.95052	0.4
109.73978	0.4
123.30872	0.3
132.10202	1.4
146.11758	38.3
185.16473	2.3
225.63394	0.4
245.18579	3.6
263.01147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1899
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
50.52415	1.4
51.88385	1.4
55.05504	5.3
57.07063	3.6
58.06586	1.7
67.05505	11.9
69.07076	8.7
71.04974	3.6
79.05498	15.3
81.07054	10.3
83.04982	1.5
83.08607	2.0
84.08154	3.4
85.06529	2.7
86.09698	3.1
91.05478	19.6
93.07052	17.9
95.04947	1.6
95.08051	2.4
95.08609	35.5
97.06542	3.5
99.08082	2.8
105.07025	26.6
107.08601	14.8
109.10170	7.3
115.05476	2.9
117.07011	16.6
119.07764	2.8
119.08582	32.4
121.10134	6.8
128.06212	4.0
129.07002	10.1
130.07768	2.1
131.08563	35.6
133.10152	17.8
135.11673	2.6
137.09608	2.5
142.07799	5.3
143.08549	15.9
144.09323	4.3
145.10121	54.1
147.11656	11.5
149.09612	2.0
151.11162	2.5
156.09286	4.6
157.10161	18.9
158.10823	1.9
159.11676	28.0
161.09729	3.5
161.13243	1.9
163.11188	1.8
170.10889	1.8
171.11691	26.7
172.12444	3.4
173.13266	5.7
175.11186	3.9
175.14780	2.9
185.13271	25.3
187.14824	100.0
188.15111	3.0
189.12694	1.7
189.16428	1.6
197.13278	2.0
199.14848	4.0
201.16396	4.8
203.14433	2.9
212.15520	2.1
227.17960	40.7
245.19012	54.8
245.22957	3.9
245.26634	14.9
246.09659	1.6
246.13307	4.5
246.18758	3.5
246.24245	2.9
253.98219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50059	0.8
55.05510	11.4
56.05036	3.4
57.03446	1.2
57.05824	1.0
58.06592	2.1
60.05647	12.6
67.05501	1.2
69.07069	7.0
69.38217	0.9
70.02963	2.1
70.06590	52.0
71.05024	1.7
71.28434	1.1
72.08152	85.3
74.02414	1.3
79.05504	1.5
81.03420	1.0
81.07039	1.9
83.05029	1.1
83.06094	4.7
84.04504	12.2
84.08141	100.0
85.04033	2.0
85.06558	0.9
85.08450	1.2
86.07211	1.0
86.09702	67.5
86.78257	0.8
87.04462	1.6
87.05586	9.8
88.03995	3.3
94.06550	1.0
95.08595	1.5
97.06532	1.4
97.07693	0.8
98.02420	2.0
98.06045	2.0
100.07601	4.2
101.00884	1.6
101.07146	1.5
101.10778	3.5
102.01012	0.7
102.05504	0.8
102.09229	0.9
104.10737	2.5
105.07038	1.2
110.02393	6.7
112.08720	7.7
113.10751	4.5
114.06646	7.5
114.10301	1.5
115.08689	3.6
116.07090	10.5
117.10266	2.2
118.08645	2.5
119.01907	4.1
124.03928	1.9
129.10233	27.9
130.04987	12.0
130.07669	1.7
130.08644	29.9
130.09709	2.7
132.02002	1.4
132.10172	7.1
133.06073	14.9
138.09090	1.1
141.10187	8.7
143.11789	2.7
145.03470	2.3
145.12300	0.8
147.07645	11.5
147.11273	37.7
155.11768	1.0
156.02080	1.1
156.10147	1.1
157.10893	1.9
158.09251	10.6
161.02960	2.0
165.12726	1.3
166.08626	6.4
169.09761	1.5
173.02917	1.5
174.03036	1.1
175.10576	1.7
175.11925	20.4
183.11295	5.0
186.12363	2.6
187.10776	9.2
200.13937	2.0
201.12363	3.5
211.12111	1.3
211.14334	0.9
212.09050	6.7
223.04697	0.9
228.13417	2.7
228.17203	2.3
228.19583	8.1
229.03180	8.7
229.11876	4.2
229.13031	4.8
229.15529	4.3
230.12965	1.0
246.05121	1.4
246.13379	4.2
246.15614	44.8
246.18102	19.5
246.20775	6.3
246.94176	1.4
247.04247	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.1
55.05482	3.0
57.03439	8.0
58.06605	6.6
59.23503	1.0
60.05640	1.4
67.05505	5.8
69.03431	9.0
69.07042	2.1
69.92790	1.2
69.93182	1.8
70.06591	6.1
71.04992	9.4
72.08154	33.5
76.82211	0.7
79.05493	5.4
81.06596	1.4
81.07057	24.8
83.04963	1.3
84.08140	10.8
85.06542	1.7
85.08911	5.5
86.09706	3.5
87.03996	1.1
87.04471	13.4
91.05460	2.4
93.07021	2.8
95.08064	0.9
95.08615	11.5
97.06528	17.6
97.10165	1.4
98.09691	2.1
99.08083	3.1
101.44103	0.7
103.05470	0.7
105.07011	2.9
107.04943	0.8
107.08588	1.9
109.10147	3.5
111.08020	0.8
116.07043	1.1
119.08595	3.6
121.10138	1.9
123.08061	2.0
124.11202	0.9
125.09637	1.8
129.10225	1.5
130.08647	1.0
146.50882	0.7
147.11539	3.0
158.09264	1.0
165.12759	11.5
175.11937	0.9
182.15297	0.8
183.13814	1.8
210.18533	3.1
228.19582	98.3
229.19951	2.4
246.15392	2.5
246.20645	100.0
247.20956	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	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.2
56.05019	3.0
56.96574	1.2
60.05622	2.7
61.01148	1.2
67.05476	2.0
69.03410	1.1
69.07072	7.8
70.02937	3.4
70.06592	17.0
70.74860	1.9
71.04991	1.7
71.06911	2.1
72.07756	2.1
72.08155	42.7
72.44971	0.8
73.08501	4.4
74.00695	1.0
81.07041	2.6
84.04493	6.3
84.08142	40.7
85.02876	1.2
85.04023	2.7
85.08465	9.0
86.09703	95.1
87.10008	5.3
88.03991	23.2
90.46590	0.9
96.08085	1.2
98.02403	1.4
98.35670	1.0
98.97539	1.1
99.00817	1.0
100.07594	1.8
101.00874	6.0
101.08028	1.2
102.05540	1.5
104.05334	2.9
104.10738	17.3
104.41917	1.0
110.02391	5.8
112.08701	1.2
113.10769	5.4
116.07074	5.0
117.10242	1.3
119.01907	11.9
120.02055	1.2
121.01660	1.3
121.03446	1.0
124.03938	0.9
127.02396	1.3
129.10233	9.6
130.05017	1.6
130.08636	10.2
130.10587	2.2
131.01906	2.2
131.08968	2.9
132.10201	20.7
133.03394	2.0
133.06062	2.3
134.04338	0.9
134.06438	1.7
136.07509	1.0
137.02936	1.8
138.09142	1.3
141.10223	9.5
141.93025	1.0
142.10579	1.0
143.01868	1.9
145.03477	4.5
145.07910	2.2
147.11288	11.6
148.06026	3.0
148.11617	2.4
155.01877	2.1
156.10155	2.3
157.03421	2.1
158.09261	1.1
161.02966	7.9
166.08662	8.1
171.01308	1.2
173.02919	3.5
173.07343	2.3
175.02895	1.1
175.04582	2.1
175.11940	2.4
176.12144	1.7
183.11259	4.0
187.02316	1.0
187.10770	7.0
189.02505	1.5
190.51587	1.0
198.95474	0.9
201.12346	14.1
202.95123	1.3
212.09132	6.3
215.00443	1.7
217.01900	2.8
218.94705	1.0
219.07971	0.9
224.02556	1.1
228.19569	3.8
229.03183	34.6
229.11775	1.4
229.15465	1.2
230.17581	2.0
246.15573	3.4
246.18085	4.9
246.20689	2.4
246.94054	3.9
247.04257	100.0
247.07742	3.8
247.10922	3.5
247.13094	3.6
247.15936	7.1
247.18365	2.7
247.20804	1.8
248.04611	1.8
248.18440	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	247.1289
Annotation	H-Val-Glu-OH
Peak:m/z	Relative Intensity
53.03968	0.5
55.05513	11.5
56.05041	2.8
56.96568	0.9
57.03458	0.6
57.05817	1.6
58.06604	1.1
60.05655	0.9
60.08172	1.4
61.01147	0.7
67.05499	0.5
69.07075	4.9
70.06596	4.5
70.93906	0.7
71.06908	0.6
72.08158	100.0
73.08495	1.9
74.06088	1.1
76.62450	0.4
79.05493	0.5
81.07072	1.4
83.05011	0.6
84.04507	15.5
84.08146	7.5
85.02896	1.0
85.08485	2.0
86.09708	94.0
87.05615	0.5
87.10043	1.7
88.03959	0.5
93.07057	0.6
94.93007	1.3
96.92825	0.5
97.02916	0.6
100.07594	0.5
101.00894	5.3
102.05551	3.7
103.00632	1.0
103.02462	1.3
104.05351	0.8
104.10749	32.7
109.02924	0.5
116.07088	1.2
118.08659	5.7
118.98260	0.6
119.01926	7.2
120.01978	0.8
121.01665	1.9
121.03440	0.7
127.02429	1.0
129.10236	1.6
130.05003	6.1
130.08606	1.3
130.09595	0.5
131.01892	2.0
131.09018	0.7
131.57047	0.4
133.03304	1.1
133.06071	0.9
134.04507	0.9
136.07559	0.6
137.02892	1.1
145.03467	9.4
146.03627	0.7
147.03230	0.7
147.07654	1.0
147.11253	1.1
148.06053	20.1
148.11609	0.7
151.97775	0.5
155.01926	2.2
157.01697	0.5
157.03491	0.7
161.02950	1.5
163.02731	1.0
163.04523	1.3
170.15398	0.8
171.01425	1.3
173.02974	4.7
175.02638	1.0
175.04494	1.1
183.11234	2.1
184.09644	1.6
187.02650	1.7
189.02399	2.0
193.00154	0.6
199.00819	0.7
199.02609	0.6
201.12444	0.7
202.89101	4.2
203.04007	0.5
205.05502	0.6
212.16447	0.6
217.01941	4.1
218.02029	0.7
229.03236	1.0
229.11752	1.8
230.10149	1.0
230.17485	1.8
235.02919	0.8
247.04279	3.2
247.06575	0.6
247.12915	8.6
247.17854	1.7
247.91202	0.9
248.12801	0.6
248.16243	0.7
248.18590	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	247.129
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
55.01870	0.7
56.05034	14.8
58.06596	1.1
61.01148	10.2
61.50659	0.6
65.96950	0.6
69.07066	10.1
70.02956	10.2
70.06595	20.2
70.30391	1.7
70.30717	0.6
72.08164	6.1
73.02910	1.9
73.08496	0.7
79.05489	1.1
81.07059	1.8
84.08169	4.0
85.04049	4.6
85.08482	1.3
86.09706	100.0
87.10040	1.8
88.03990	48.1
96.08134	1.3
97.06592	0.8
98.02417	5.3
99.00847	1.1
100.03999	1.5
104.05322	16.6
104.05968	1.1
110.02402	13.8
113.10764	12.2
114.74629	0.6
116.07085	28.9
124.03951	1.7
125.07124	0.8
132.10204	45.0
133.10568	1.2
138.09135	1.4
141.10222	23.5
141.11281	1.4
145.07930	0.9
155.11804	1.7
156.10240	3.8
166.08655	16.7
169.09743	1.6
173.07492	1.3
174.40692	0.7
182.08153	0.8
183.11301	6.1
184.09731	2.8
187.10765	14.0
188.11021	0.8
199.10823	2.4
201.12344	33.0
212.09193	14.8
212.16472	1.6
229.11856	4.2
230.17575	2.3
247.11049	2.9
247.13326	5.4
247.15770	1.5
248.18530	10.3
255.02333	0.7
259.49323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03952	2.2
55.05512	74.2
57.86764	0.7
67.05518	1.1
67.48059	0.8
69.07079	1.2
73.04610	0.7
78.31285	0.7
79.05508	1.8
81.07066	1.5
83.04981	100.0
87.26629	0.8
91.05469	6.7
93.07036	1.8
95.08582	1.2
98.98471	2.0
104.99249	1.3
105.07033	1.0
107.04974	1.4
107.08585	1.0
115.05484	0.8
117.07042	1.8
119.08585	20.1
121.06509	0.8
121.10152	1.2
129.07002	2.2
131.08629	1.1
132.05711	3.7
133.10139	1.1
133.16374	0.7
135.11702	1.0
145.10178	0.9
147.08046	45.4
155.08560	0.9
168.84467	0.8
175.56998	0.8
229.15863	0.8
232.12376	1.0
247.13245	2.4
247.16983	1.4
247.20737	1.8
247.24341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.16132	1.0
53.03940	4.4
55.05509	5.9
65.03938	4.2
67.05505	6.6
68.99796	1.4
69.03425	17.7
69.07058	3.9
71.05018	1.5
79.05491	10.7
81.03441	1.3
81.07066	10.7
83.04985	19.5
86.09692	1.7
86.93896	1.1
91.05481	20.5
93.03378	4.3
93.07036	14.1
95.04980	5.8
95.08604	5.7
97.02884	8.3
97.06512	1.7
98.22556	2.9
98.84933	1.3
103.05484	1.4
105.07035	15.6
107.04905	4.4
107.08591	14.9
109.02883	9.8
109.06515	9.8
109.10130	4.2
111.04404	4.6
111.08099	1.4
112.14686	1.2
115.05447	4.6
116.06251	1.5
117.07026	11.4
119.08572	17.1
121.02863	3.3
121.06511	13.7
121.10114	5.6
123.08060	3.4
128.06223	2.4
129.06996	5.8
130.07782	2.0
131.08559	16.2
132.05702	2.5
133.06442	1.3
133.10132	10.5
135.08049	27.9
135.11703	2.6
137.05939	4.4
137.09584	4.2
141.06946	2.8
142.07713	3.3
143.08577	10.9
144.09344	8.0
145.06488	14.7
145.10110	13.7
147.08034	5.7
147.11649	2.1
149.06023	1.3
149.09601	19.9
150.10373	3.5
151.07556	1.4
151.11177	3.1
153.06915	2.3
153.09074	2.5
155.08522	5.9
156.09399	1.7
157.10074	2.3
158.07249	2.9
158.10910	10.5
159.08102	11.4
159.11688	25.6
160.08807	5.3
161.09555	5.6
163.07541	22.7
163.11183	2.3
165.09056	2.1
167.08588	2.1
168.09331	4.3
169.10114	4.1
170.10957	6.3
171.08080	10.1
171.11662	2.1
172.08855	18.6
173.06006	1.5
173.09642	27.0
173.13260	29.4
175.07518	1.9
175.14832	1.4
181.06396	2.7
183.11665	10.5
185.09543	2.2
185.13252	2.8
186.10397	21.4
187.11176	100.0
188.11542	1.9
189.09135	2.7
191.07028	44.3
193.10081	1.9
196.08789	7.1
199.07521	1.9
201.12733	51.0
205.12225	3.8
211.11212	12.6
214.09879	4.3
219.13815	4.2
228.88263	1.4
229.12225	70.1
230.12544	1.9
247.13293	84.0
247.17006	4.1
247.20547	4.7
248.13577	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	247.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79525	0.5
55.05498	1.8
56.05037	12.9
56.84018	0.6
57.03431	1.0
60.04519	2.0
69.07066	1.2
70.06592	1.2
70.08984	1.9
72.08157	11.8
74.06079	19.5
79.05441	0.6
84.04500	4.2
84.08134	1.5
86.09704	100.0
87.10022	1.0
88.07615	0.9
91.05442	0.7
93.07040	1.0
94.83714	0.5
102.05538	2.6
103.05461	1.0
106.41543	0.6
116.07088	22.8
120.08101	17.2
124.10830	0.6
134.08125	57.3
135.08511	0.6
144.06543	9.0
152.10646	0.7
163.17978	0.6
170.36928	0.6
171.63727	0.6
189.12221	0.6
201.03383	0.7
201.12311	0.6
219.15012	1.7
229.15471	5.6
247.06023	0.8
247.11189	0.6
247.13953	0.9
247.16568	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	247.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09394	0.3
55.05514	3.8
56.05035	1.0
57.05822	0.7
58.06596	0.7
60.08162	3.3
63.22229	0.3
69.07077	1.9
69.50748	0.3
69.86778	1.4
70.06580	2.4
71.06931	0.4
72.08157	35.8
73.08486	0.7
74.06053	0.4
77.76012	0.3
79.64577	0.3
81.07063	1.0
81.77376	0.3
84.04507	5.7
84.08141	3.1
85.08456	0.7
86.09707	36.1
87.10045	0.7
92.62186	0.3
94.93022	0.6
96.40405	0.3
98.23210	0.5
101.00888	2.6
102.05534	1.0
103.00647	0.4
103.02429	0.6
104.10745	100.0
105.11107	0.9
118.08643	2.0
119.01922	2.9
121.01688	0.9
127.02417	0.6
130.05028	2.7
130.08594	0.5
131.01920	1.0
134.04526	0.4
137.02919	0.4
143.01855	0.4
145.03484	3.1
147.03258	0.4
147.11237	0.5
148.06047	5.7
150.62938	0.3
155.01921	0.8
157.03429	0.3
163.02727	0.6
163.04526	0.5
173.02968	1.5
183.11250	0.8
184.09683	0.6
187.02733	0.4
189.02454	0.6
202.89162	1.4
217.01918	1.2
229.03224	0.5
230.17583	1.0
238.88406	0.4
247.04410	1.2
247.12903	2.6
247.91385	0.7
248.09557	0.4
248.18588	5.6
257.78259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46663	0.5
53.03936	0.6
54.53728	0.5
55.05507	0.6
57.03432	0.9
58.06608	1.1
61.75842	0.5
70.06603	0.6
70.13190	0.6
70.65575	1.3
72.08155	5.6
81.07082	1.1
82.99831	3.0
84.08147	3.3
91.05495	1.6
93.07047	2.8
100.02467	3.7
101.00880	33.3
102.00961	1.0
103.05466	15.5
107.08611	1.0
118.02669	0.6
118.03522	24.4
119.01923	100.0
120.02017	3.4
120.08105	69.1
121.08443	1.4
121.10121	0.7
129.10208	0.9
130.03522	1.6
130.06564	1.5
131.04927	4.8
136.04555	4.5
137.02956	26.1
142.03494	1.8
149.09628	0.7
151.06046	0.6
156.01408	0.7
160.06050	3.5
161.88547	0.7
164.01735	0.6
170.15378	5.2
174.02490	1.2
178.07181	3.3
179.05629	1.3
197.06616	0.7
202.07137	15.4
202.08875	1.1
203.05550	5.0
203.07312	0.9
205.07074	1.1
206.06631	5.4
220.08194	5.3
221.06583	21.0
222.06772	0.9
224.07623	0.7
230.06552	3.3
230.17564	4.8
231.04990	1.8
238.09348	1.0
239.07655	4.7
242.08775	0.9
248.07686	34.6
248.15999	0.8
248.18579	18.1
249.06007	10.9
266.08740	25.2
267.06982	7.3
269.66550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
56.05033	4.4
56.96312	2.3
56.96568	44.8
57.03435	2.7
64.40514	1.6
66.62074	1.6
67.05515	2.2
69.07059	2.4
70.06584	3.9
71.95246	5.6
72.08162	11.6
74.06065	6.6
74.97597	2.2
81.07066	2.5
84.04503	2.6
84.08144	49.5
86.09711	32.7
87.10030	9.3
89.91931	1.7
94.06548	5.1
98.97585	100.0
101.00874	2.4
101.10729	2.4
116.98621	58.1
119.01884	5.5
120.08062	1.7
121.01713	1.9
122.06026	2.4
129.10222	11.3
130.08621	5.3
131.00029	2.3
134.99670	19.6
136.02385	1.6
138.71667	1.5
140.00136	2.1
140.03847	2.3
142.01608	5.9
142.05312	2.4
143.00150	1.8
147.11252	7.3
150.05519	12.2
153.00677	2.5
158.01144	2.5
158.04881	3.9
160.06462	4.9
161.01274	2.7
168.06508	1.7
178.07414	2.7
188.02090	2.3
188.06007	4.8
189.04373	11.0
202.07491	1.7
206.06964	7.6
207.05397	6.6
224.02597	6.4
224.08000	9.9
230.07007	30.3
230.15076	3.0
230.17465	3.0
231.05399	3.4
248.04436	9.0
248.08041	64.4
248.16060	8.7
248.18590	15.4
266.09094	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	248.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78843	0.3
55.01848	0.4
55.05506	0.7
56.05034	0.3
57.03436	2.6
58.06607	1.2
58.23463	0.3
67.05511	1.0
68.55918	0.4
69.07054	1.7
69.78397	1.6
70.06591	1.4
70.27374	0.3
71.04963	0.4
71.07376	1.4
72.08154	58.5
79.05489	3.5
81.07056	17.8
81.07437	0.3
83.05021	0.5
83.08607	0.4
84.08150	0.9
86.09212	0.6
86.09708	7.7
87.10048	0.6
91.05457	0.4
93.07044	2.1
95.08595	1.4
97.06563	0.7
98.05997	0.5
99.08087	0.9
100.07626	0.4
101.08405	0.7
102.09189	0.7
105.00754	0.3
105.07044	0.5
107.08565	2.2
121.10145	1.0
127.07552	2.8
131.08615	0.4
135.86882	0.3
139.11201	1.0
143.07079	0.5
145.08562	0.5
149.09601	0.9
172.13338	1.9
186.14870	0.9
212.16469	5.3
230.17500	11.1
248.18565	100.0
249.18904	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	248.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56624	1.2
55.05516	7.1
56.05050	2.0
57.03432	4.1
58.06596	4.5
67.05508	15.1
69.07072	9.3
69.70969	3.6
69.78191	1.1
70.06592	25.5
71.04987	5.2
72.08154	4.0
73.20774	1.2
79.05496	12.5
80.19102	1.2
80.53969	1.2
81.07058	21.8
82.06580	4.2
83.04962	2.2
83.08610	1.6
84.04504	2.8
84.08136	4.4
85.06519	1.9
86.09702	2.9
91.05479	5.1
91.15425	1.1
93.07047	20.2
95.04938	1.2
95.08607	20.1
95.49326	1.3
96.08131	2.6
97.06518	3.1
105.07040	2.5
107.08601	10.1
109.10133	7.8
110.09653	2.7
111.08076	2.1
117.07029	2.4
119.08566	3.6
120.08102	2.6
121.06546	2.2
121.08457	2.0
121.10155	3.9
123.08083	1.4
125.05969	1.8
131.08551	2.7
133.10115	3.6
135.08055	2.5
135.11699	24.1
139.07539	2.9
148.11267	1.1
149.13242	6.3
150.12802	1.5
152.14360	1.7
153.12776	7.2
159.11676	5.4
166.15968	1.9
168.17488	27.0
170.15422	20.2
177.12733	7.2
194.15431	23.3
195.13780	6.8
212.16486	12.2
213.14905	1.9
230.17523	100.0
231.17867	1.4
248.18576	78.2
249.15755	50.0
249.18385	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	248.8965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25392	0.4
66.44460	0.4
70.38788	1.0
79.42693	0.4
90.68427	0.5
93.97913	0.5
94.93011	100.0
98.48434	0.4
136.93965	0.6
146.45215	0.5
150.91936	3.2
166.38525	0.4
176.36311	0.5
206.88588	21.3
211.33963	0.5
248.89659	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	38.5
70.06596	1.4
70.98121	74.8
71.28540	1.1
71.34434	0.7
71.95258	2.3
72.08153	2.8
74.97620	3.6
84.08126	2.4
85.02917	0.8
86.09697	2.5
86.97595	3.2
88.99160	45.3
92.52147	0.8
97.02906	1.4
98.97585	100.0
99.97882	1.7
101.00897	1.1
105.10253	0.8
107.00195	7.5
110.07146	1.4
116.98625	35.9
119.00183	1.6
121.01659	1.6
128.98605	42.5
131.00169	5.3
134.99664	8.3
145.01602	1.1
146.99651	83.9
147.99915	0.9
149.01219	4.2
153.00581	1.0
158.99615	2.5
165.00717	46.3
170.01273	1.2
172.94482	1.0
174.99051	1.0
177.00726	2.9
183.01828	4.5
189.00710	52.3
207.01770	55.7
208.01479	1.1
217.66521	0.8
225.02832	5.2
226.02409	1.2
230.03262	1.5
231.07353	1.5
249.02815	6.4
249.08437	3.2
249.18736	0.9
267.03802	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	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03955	1.3
53.65823	0.7
53.99285	0.8
55.01866	11.5
55.05513	12.0
57.07064	2.8
61.02832	0.8
65.03940	1.3
67.05502	15.3
69.07066	11.2
71.30196	1.2
79.05488	14.3
81.07055	46.5
83.04971	4.0
83.08623	3.7
91.05481	7.7
93.07036	12.3
93.83794	0.8
95.04962	2.1
95.08605	15.3
97.06517	2.8
99.08076	1.0
105.07018	10.7
107.08595	11.9
109.06514	15.6
109.10153	6.5
111.04436	21.5
111.08088	2.1
113.05948	1.0
117.07014	2.0
119.08571	13.1
121.10142	13.9
123.08070	6.4
123.11713	5.9
125.05978	6.4
128.06242	1.1
129.06992	1.5
131.08543	2.6
133.10126	12.5
135.08063	8.2
135.11673	7.0
137.05972	100.0
137.09631	3.0
137.13239	3.9
138.06740	1.6
139.07515	1.8
139.66524	0.8
142.07774	1.1
143.08585	3.5
145.10110	3.7
146.07184	1.4
147.08008	5.9
147.11681	16.5
149.09601	5.2
149.13258	3.8
151.07564	3.5
151.11203	3.5
156.09381	0.9
157.10132	5.1
159.08003	0.9
159.11713	3.2
161.09624	20.6
161.13266	8.0
163.11157	6.1
163.14812	2.4
165.09148	3.4
165.12753	2.2
171.11740	2.2
173.09665	0.9
174.60774	0.8
175.11183	14.4
175.14786	3.8
175.43979	0.8
177.12834	0.9
179.10648	3.5
189.12682	4.0
189.16446	1.6
193.12260	2.8
203.14287	1.6
203.17941	22.5
205.19504	3.3
207.13722	0.8
213.16380	6.1
221.18993	5.7
231.17429	21.4
239.64096	0.8
249.14714	1.6
249.15932	1.2
249.18484	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	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.18052	0.4
51.02360	0.5
53.03939	1.2
55.01871	11.8
55.05513	13.7
56.07922	0.6
57.07071	3.9
59.04989	0.9
65.03936	0.7
67.05508	16.6
69.03433	1.0
69.07069	12.7
71.04973	0.8
71.08621	0.5
71.30254	0.7
71.30624	0.7
79.05497	12.7
81.07058	51.3
83.04990	4.9
83.08627	3.4
85.06537	1.1
91.05471	7.0
92.74781	0.5
93.07050	13.5
95.04967	1.3
95.08614	14.6
95.09229	0.7
96.25609	0.5
96.92768	0.6
97.06532	1.9
97.10160	0.7
101.09658	0.9
105.07037	10.7
105.07679	1.1
107.04962	2.3
107.08598	11.4
109.06522	17.2
109.10157	9.4
111.04449	18.7
111.08082	2.1
117.06990	1.2
119.08578	15.2
121.06501	1.2
121.10140	12.9
123.08075	5.1
123.11700	5.2
125.05993	6.9
128.06181	1.1
129.07027	0.9
130.07742	0.8
131.08537	2.6
133.10130	12.3
135.08060	9.2
135.11705	6.8
137.05978	100.0
137.09619	2.3
137.13216	3.5
138.06497	0.8
139.07564	1.2
142.07773	1.1
143.08606	4.3
145.10129	3.0
146.07281	2.1
147.08064	4.1
147.11697	16.1
149.09592	5.1
149.13234	4.5
151.07518	4.8
151.11176	3.4
152.23186	0.6
153.09073	0.8
156.09320	0.8
157.10144	4.0
159.08080	1.0
159.11703	2.2
160.08868	1.5
161.09624	19.3
161.13261	7.0
163.11177	5.8
163.14832	2.2
165.09106	2.7
165.12730	2.0
167.10703	1.5
171.11708	2.3
173.13283	1.3
175.11203	14.4
175.14769	3.6
176.11621	0.7
177.12758	1.9
179.10652	3.2
183.11609	0.6
185.13251	0.9
189.12746	3.0
193.12172	2.7
194.11752	1.6
203.14468	0.8
203.17963	20.2
204.18283	1.3
205.19472	2.8
207.13750	0.7
213.16414	6.4
221.18973	5.8
231.17456	19.3
232.17709	0.6
249.07364	1.3
249.18486	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
51.81390	2.7
53.03753	2.4
53.03949	25.5
55.01873	5.4
55.05511	28.1
57.03430	4.4
57.07061	7.4
65.03940	3.9
67.01371	2.0
67.05505	54.7
69.03418	3.3
69.07063	37.7
69.59055	2.0
71.08641	2.6
71.29251	3.0
79.05491	23.1
81.03418	76.8
81.07057	60.1
83.04984	18.7
83.08598	7.4
85.10181	2.9
91.05477	13.5
93.07050	20.3
95.04976	33.1
95.08608	22.2
97.06528	6.2
97.10154	10.2
99.08108	2.4
105.07052	14.6
107.08590	14.8
109.06511	11.4
109.10148	15.7
113.09637	2.5
119.08593	7.7
121.10134	11.1
122.80604	2.7
123.08070	6.2
123.11687	5.8
133.10136	15.1
135.11702	5.6
137.13248	4.0
147.11661	7.5
149.13229	3.2
151.11180	40.0
161.13219	4.9
165.12733	9.8
177.16481	2.6
179.14279	10.0
224.80479	2.7
231.21101	9.7
249.22154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
67.01868	1.6
69.03415	0.3
70.06596	0.4
71.03918	0.3
71.06742	0.2
72.08167	0.4
72.91729	0.2
92.89169	0.3
94.04060	0.5
97.02906	1.0
98.98463	21.5
116.99509	0.8
119.03550	0.9
130.74327	0.2
131.90326	0.2
136.06183	100.0
137.04573	0.9
137.06595	0.5
148.06122	0.4
162.07750	0.6
174.11246	0.3
174.99193	0.7
178.07275	0.4
218.75038	0.2
232.08095	0.5
250.09297	13.6
251.09885	0.4
251.13541	0.3
260.83078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05040	3.8
56.96553	1.0
61.01144	1.1
71.16064	0.9
72.08160	2.4
74.06087	4.5
75.12003	0.7
79.06238	0.8
84.08144	1.5
85.02895	1.2
94.93016	19.1
96.92824	23.3
97.02915	0.8
98.98465	100.0
104.05320	3.3
105.07014	0.8
106.04935	0.9
107.04870	0.7
110.07170	1.7
110.42837	0.8
116.98769	0.8
116.99462	3.7
119.01917	1.4
121.01688	1.1
133.03442	1.2
136.06177	3.2
136.94044	2.1
145.92722	0.7
146.99590	0.7
149.01154	0.9
150.05818	1.1
150.91917	2.1
161.05699	0.8
174.99193	3.4
176.93515	45.8
177.93895	1.0
185.03009	1.1
188.78459	0.7
192.93024	2.4
196.00864	1.3
208.08379	0.9
208.88411	7.8
228.03525	1.1
250.89536	5.3
251.02945	4.1
251.13675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30410	0.4
53.03939	0.7
55.01861	0.5
55.05505	1.8
57.03440	0.8
63.31311	0.5
67.05517	3.1
69.03436	0.7
69.07061	1.4
70.47464	1.0
71.04991	0.7
74.69897	0.5
79.05491	3.3
81.07043	3.8
82.86875	0.5
82.91202	0.4
83.04976	0.6
83.08618	0.6
84.08134	0.6
85.06544	0.7
89.58781	0.4
91.05485	9.8
91.06011	0.7
93.07043	2.6
95.04971	1.4
95.08608	2.7
96.97956	0.5
97.06506	0.5
97.10203	0.5
98.98468	100.0
99.04438	0.7
103.05495	0.5
105.07030	5.8
107.04942	1.0
107.08595	2.0
109.06534	1.0
109.10163	1.5
111.08078	0.6
113.19736	0.5
115.05464	0.6
116.06270	1.1
116.99487	2.1
117.07030	1.5
119.04962	1.2
119.08574	1.9
121.06519	1.2
121.10162	1.8
123.08070	0.6
128.06288	0.5
129.07050	0.9
129.10258	0.6
131.04977	0.8
131.08560	9.5
132.08913	0.5
133.06519	0.9
133.10155	2.9
135.04437	1.0
135.08081	1.0
135.11697	1.2
137.05986	0.9
139.07465	0.5
145.10112	1.5
146.07263	0.7
147.08069	0.6
147.11652	0.6
149.09637	1.4
156.79994	0.4
159.08047	4.0
159.11722	1.3
161.09624	2.5
163.03903	1.3
163.07538	0.6
163.11284	0.7
174.99202	2.6
177.05449	0.9
177.09113	7.0
181.12152	0.5
184.53638	0.5
187.07556	2.2
187.11240	1.1
187.14729	0.5
205.08583	11.8
205.12305	0.6
205.15910	0.6
212.58192	0.4
233.08124	0.6
233.11792	0.5
233.15331	1.4
233.18912	0.6
251.12459	3.4
251.16513	1.6
251.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1278
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
55.01872	2.2
55.05521	2.8
57.03432	1.2
65.03944	1.6
67.05510	7.9
69.03445	4.5
69.07067	4.7
69.91988	2.6
69.92368	2.8
71.05000	5.1
79.05500	17.0
81.07056	17.9
83.04996	5.8
85.06556	1.4
91.05485	11.7
93.07045	13.5
95.04973	8.5
95.08599	3.1
95.47707	1.1
97.06553	7.7
97.23657	1.2
98.23320	1.3
98.98470	84.8
99.04472	4.8
105.04540	1.3
105.07034	22.4
105.07678	2.0
107.04952	15.7
107.08607	9.9
109.06518	12.5
116.68665	1.2
116.99509	1.7
117.07046	8.0
119.04949	3.9
119.08591	7.4
121.06521	14.4
121.10120	2.3
123.04468	1.6
125.05980	4.2
127.07567	2.0
129.06950	2.7
130.07788	4.0
131.08574	7.8
133.06526	4.0
135.08055	3.3
135.11703	3.1
137.05971	14.5
139.07565	3.2
141.06990	1.3
143.08589	3.4
144.09340	2.7
145.06525	3.9
145.10130	46.1
145.11273	2.7
147.08073	2.7
147.11691	2.3
148.08824	2.9
151.07529	1.7
154.07802	1.4
158.07281	3.3
159.08043	2.7
159.11699	18.7
161.13248	1.8
163.11186	100.0
164.11516	2.4
169.10170	3.4
172.08876	1.3
173.09631	17.9
174.99272	1.8
181.12108	1.5
187.11182	33.2
187.12737	2.2
187.86618	1.3
189.12769	1.5
191.10684	12.8
197.09703	4.2
205.12233	12.3
213.77667	1.3
215.10677	20.1
233.11760	12.5
251.12785	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	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03939	4.2
55.01871	4.5
55.05513	4.6
57.03423	1.2
59.04999	1.1
65.03938	2.8
67.05513	12.4
69.03082	0.8
69.03429	3.2
69.07064	3.8
70.06586	1.2
71.04991	7.5
78.95518	0.9
79.05068	1.4
79.05497	24.1
81.03423	1.5
81.07056	50.9
81.22586	0.9
83.04976	3.4
83.08620	1.6
85.06517	2.2
91.05486	18.7
93.07047	29.1
95.04960	12.0
95.08607	9.9
97.02885	2.9
97.06533	7.4
97.57224	0.9
98.98466	100.0
99.04458	4.7
103.05454	1.9
105.04501	1.1
105.06383	1.7
105.07033	24.9
107.04962	8.9
107.08590	11.0
109.02819	1.2
109.06521	38.9
109.10162	2.9
111.04425	1.9
111.08064	2.9
113.05994	2.6
115.05439	1.9
116.99500	2.6
117.07019	8.1
119.04945	14.3
119.08580	5.9
121.06513	17.5
121.10173	3.4
123.04425	2.5
123.08067	2.3
124.65286	0.9
125.05988	3.7
127.07553	3.7
128.06218	1.4
129.07021	5.1
130.07782	4.1
131.04980	1.2
131.08568	12.0
133.06499	5.0
133.10147	3.1
135.04419	3.0
135.08090	4.6
135.11697	7.4
137.05975	44.9
137.09625	1.3
139.07539	6.7
141.06982	4.0
143.08591	4.4
144.05782	0.9
144.09344	2.4
145.06465	5.7
145.09000	2.0
145.10123	28.1
146.06033	1.1
147.08029	2.3
147.11658	3.3
149.05989	1.7
149.09642	2.2
149.13190	1.2
150.40132	1.0
151.07588	1.1
151.11148	1.0
153.06963	1.3
154.07764	3.8
155.08522	2.3
157.08627	2.7
158.07291	3.7
159.08104	4.6
159.11702	13.6
161.09596	1.5
161.13403	1.0
163.07480	1.6
163.11194	22.4
167.08585	1.0
169.10091	6.6
171.11700	3.0
172.08801	2.1
173.06071	1.2
173.09612	13.3
174.99184	3.1
177.09085	2.2
177.12741	2.3
179.08588	4.3
181.12218	10.0
181.87692	1.1
182.07249	3.5
187.07574	1.4
187.11194	25.5
188.11536	1.1
189.12779	1.5
191.10689	10.7
197.09621	13.0
198.09821	1.1
205.08643	2.9
205.12283	7.7
215.08601	1.8
215.10667	34.2
227.12726	2.0
233.08020	1.0
233.11723	18.4
233.15259	2.1
251.10384	1.5
251.12785	11.1
251.16327	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	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03948	2.0
55.01878	3.2
55.05503	3.6
57.03423	1.6
59.04997	4.2
65.03947	1.6
66.64014	1.5
67.05500	8.5
69.03433	3.9
69.07066	2.7
70.47314	2.9
71.04990	6.4
79.05495	14.4
81.03416	1.8
81.07054	26.5
83.04964	4.0
85.02898	1.5
91.05477	15.3
93.07047	13.8
95.04971	9.4
95.08625	4.7
97.06538	4.5
98.98467	100.0
99.04433	8.0
105.07029	27.5
105.07745	1.4
107.04975	8.4
107.08596	7.8
109.06505	16.0
111.04467	1.8
111.08055	2.0
115.05382	2.7
117.07016	9.8
119.04940	5.9
119.08595	8.8
121.06515	11.8
121.10147	3.0
123.04472	1.4
123.08022	1.8
125.06013	1.5
127.07525	1.4
129.07016	4.5
130.07744	3.1
131.08563	14.5
133.06497	4.8
133.10138	4.1
135.04361	1.7
135.08072	3.1
135.11690	3.8
137.05991	16.3
137.09567	1.4
139.07527	3.3
141.06990	2.8
143.08575	3.9
144.09343	5.8
145.06483	5.6
145.10127	45.6
145.11267	3.1
147.08063	7.2
147.11696	3.6
149.09628	3.1
151.07584	2.7
154.07759	2.0
157.10115	2.6
158.07283	2.1
159.08069	2.0
159.11671	22.0
161.09613	1.9
163.07544	2.6
163.11194	34.2
164.11613	1.5
169.10086	4.5
172.08859	2.5
173.09621	17.9
174.99271	2.8
175.07591	2.1
177.12749	3.3
179.08708	1.5
181.12296	1.2
182.07396	1.3
187.11185	45.5
188.11632	1.6
189.12738	1.4
191.10640	15.4
197.09622	4.4
205.12221	18.7
215.10663	26.7
233.11713	23.9
233.15331	1.7
251.12750	11.3
251.16487	2.3
264.56540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.128
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03939	3.8
55.01867	4.7
55.05505	4.5
57.07029	0.8
57.72263	0.8
59.05004	1.7
63.39860	0.8
64.64152	1.1
65.03928	1.2
67.05508	11.4
69.03419	4.2
69.07079	5.3
70.06596	1.5
71.04996	6.6
77.03960	1.0
78.25668	1.1
78.53058	0.8
79.05495	29.8
81.03420	3.2
81.07057	58.5
83.04976	3.6
83.08598	1.7
85.06534	1.6
91.05473	15.9
93.06471	1.9
93.07041	31.1
95.04958	14.3
95.08614	11.1
97.02895	2.8
97.06534	8.8
98.23467	1.8
98.98469	100.0
99.04459	6.3
103.05457	2.4
105.04501	2.1
105.06376	1.8
105.07034	25.0
107.04958	9.1
107.08584	12.7
109.06518	48.6
109.10170	1.0
110.07077	1.1
111.04466	2.5
111.08074	3.6
113.06020	2.1
115.05462	1.3
116.14880	1.0
116.99519	2.1
117.07023	10.8
119.04951	18.7
119.08566	7.3
121.06509	21.7
121.10163	5.0
123.04415	3.2
123.08057	2.4
125.06001	5.7
127.07558	4.6
128.06204	2.0
129.06998	4.3
130.07761	3.6
131.05054	1.2
131.08574	10.6
133.06467	5.4
133.10097	1.6
135.04361	1.4
135.08047	5.9
135.11679	6.6
137.05977	51.9
138.31981	1.0
139.07532	7.2
141.05394	1.1
141.06973	2.3
143.08554	4.7
144.09335	2.6
145.06453	5.5
145.10124	34.5
147.08057	2.0
147.11665	1.2
149.06017	2.1
149.09627	1.5
151.07532	1.4
152.06108	1.0
153.06979	2.1
154.07759	4.2
155.08536	1.8
156.09312	1.5
157.08624	3.1
157.10060	1.0
158.07280	4.3
159.08049	4.4
159.11700	18.5
161.09550	1.6
161.13292	2.4
163.11189	23.3
167.08456	1.1
169.10133	7.5
171.08003	1.2
171.11688	4.4
172.08809	2.9
173.05984	1.6
173.09624	16.9
174.99245	2.9
177.12747	3.1
179.08559	5.8
181.12241	12.6
182.07274	3.5
187.11188	28.3
191.10660	10.9
197.09634	14.9
205.12228	8.8
215.10683	39.6
216.11102	1.6
227.12823	2.7
233.11740	22.5
233.15367	2.4
251.12744	16.8
251.16475	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	251.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01864	3.3
55.05504	3.2
65.03928	1.4
67.05511	9.8
69.03425	3.7
69.07062	6.1
70.06591	1.3
71.05007	5.7
79.05487	14.1
81.07056	20.7
83.04975	3.2
83.08618	1.2
85.06551	8.3
91.01150	1.0
91.05486	14.1
93.07038	25.7
95.04972	12.5
95.08591	7.2
97.06543	10.2
98.23357	2.8
98.98465	100.0
99.04457	4.0
102.19586	1.0
103.05475	1.8
105.03841	1.2
105.07029	21.1
107.04958	6.0
107.08605	8.5
109.06527	16.5
109.10112	1.2
109.34322	1.0
111.04418	1.8
111.08096	3.6
112.90956	1.0
113.06017	1.3
115.05448	2.0
116.06285	1.1
116.99499	2.4
117.07046	5.1
119.04974	5.6
119.08566	7.9
121.06504	16.8
121.10159	5.5
122.33299	1.2
123.04404	1.3
123.08080	3.2
123.11716	1.5
124.58829	1.2
125.05994	3.9
127.07497	5.6
127.68495	1.1
129.07011	3.9
130.07782	3.2
131.08559	9.4
133.06476	3.6
133.10136	2.9
135.04474	2.0
135.08080	2.5
135.11691	2.5
136.53818	1.0
137.05965	5.9
139.07527	11.9
141.07008	2.4
143.08543	3.0
144.09344	2.7
145.06493	3.4
145.10129	29.0
147.11729	1.3
149.09637	3.9
151.07552	2.6
154.07759	2.9
155.08524	1.3
157.08606	5.3
158.07291	2.5
159.08073	3.2
159.11676	13.3
161.09648	1.4
161.13286	1.6
163.07526	1.8
163.11191	8.8
167.10680	6.4
169.10135	6.5
172.08826	1.6
173.08214	1.8
173.09595	7.9
174.99257	3.1
177.12746	2.6
179.08594	3.5
182.07256	1.4
183.85269	1.1
183.87057	1.3
187.09491	1.3
187.11186	26.8
191.10663	7.5
197.09581	9.3
205.12253	11.1
213.47188	1.2
215.10672	22.8
233.11736	7.1
233.15421	1.3
251.12686	7.6
251.16402	3.5
251.20082	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	251.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13163	0.3
56.05035	0.8
58.06601	72.6
70.06593	1.0
70.69807	0.7
70.72156	0.3
72.08136	0.5
77.01604	0.5
79.05446	0.4
83.34908	0.4
84.08157	0.6
95.08632	0.7
98.98466	100.0
116.98688	0.6
116.99504	2.8
120.08062	0.9
134.25571	0.4
136.06120	0.6
138.05261	1.1
154.08360	1.1
174.99254	3.4
251.10329	0.5
251.13913	5.5
251.16446	0.9
251.19949	0.4
252.15857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91408	0.3
61.23673	0.2
61.39966	0.3
69.12813	1.3
69.13237	0.8
88.16952	0.2
93.74847	0.3
98.97850	0.4
98.98466	4.9
99.98901	0.3
101.00888	1.9
116.98840	0.6
119.01923	5.3
122.97822	0.6
134.99916	1.4
135.50179	0.2
137.02957	0.7
140.98793	1.9
141.49071	0.2
153.00993	0.6
158.99876	7.9
159.99983	0.4
161.01489	0.4
177.00949	55.4
178.01053	3.3
185.01497	1.5
195.02039	0.8
199.80367	0.3
200.02600	0.5
201.00952	0.9
203.02516	26.9
204.02650	1.8
205.00554	1.5
210.99335	2.3
219.01996	11.6
220.02153	0.7
228.98167	0.6
229.00423	9.0
230.00620	0.9
247.01497	100.0
248.01625	6.0
249.01849	0.4
270.03094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05492	1.2
56.05040	1.7
58.99590	1.9
58.99869	19.2
67.44944	1.3
70.06593	3.9
71.27938	1.8
72.08158	2.3
74.06049	1.3
77.00912	20.9
81.03416	3.2
82.01445	4.7
84.04483	1.8
84.08144	5.9
85.06577	1.1
86.09695	2.7
91.05467	2.6
94.06548	2.0
95.01950	3.0
96.06866	6.7
97.07660	7.0
98.98468	40.6
100.02490	17.9
101.00900	1.5
110.07167	6.6
115.02436	1.4
118.03510	9.1
119.01936	4.2
119.04935	1.5
123.02942	5.4
129.03987	2.9
129.10245	1.7
131.01920	1.9
132.05110	2.9
133.03406	1.9
136.06187	23.7
136.07588	7.3
139.02452	2.4
141.03969	44.4
141.05074	2.1
142.04218	1.9
145.03481	1.5
147.05048	2.6
150.06117	2.0
155.06665	3.5
157.03476	32.3
158.06624	1.9
159.05034	69.4
160.05237	2.4
163.69633	1.3
164.05585	5.2
167.01900	17.9
173.07687	3.3
174.98589	2.0
175.04527	31.0
176.07632	1.1
177.00928	3.8
177.06099	37.7
180.05084	12.2
182.06638	64.9
183.06934	1.8
184.04364	2.1
185.02963	100.0
185.11440	2.8
186.03127	3.6
186.09761	4.7
190.03473	6.7
197.07835	1.4
198.06151	7.5
200.07689	34.8
203.02217	1.8
203.04027	33.9
203.12450	4.3
205.08244	2.7
206.04768	1.4
208.04541	26.8
209.07669	1.6
210.07881	5.0
211.09346	2.2
219.01939	2.1
221.05014	6.6
226.05629	27.1
228.08925	2.2
229.10260	10.0
235.11894	1.6
244.06572	4.1
245.03574	1.5
247.01413	4.8
247.03268	3.6
247.11353	7.7
252.03453	4.5
252.08575	6.5
252.10698	1.9
252.16075	3.6
252.97238	1.4
270.04544	2.1
270.09329	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	252.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99866	14.9
60.33615	1.7
69.03435	3.8
70.06612	7.8
70.11012	6.1
71.05019	2.2
73.02947	2.2
77.00914	15.1
81.03430	2.5
81.07076	2.6
82.01491	3.3
84.08174	6.1
85.66492	1.8
87.14458	1.8
92.74334	2.2
95.01983	3.0
96.06911	3.8
98.06093	6.1
98.98473	100.0
100.02493	13.6
110.07203	7.1
112.07665	5.9
116.99564	2.8
117.05507	2.4
118.03580	5.8
118.70277	1.9
119.01981	2.3
120.08168	2.9
123.02970	3.1
129.10239	3.0
136.06187	89.7
139.02400	3.4
141.03976	41.3
141.05081	2.9
157.03482	29.1
159.05032	58.7
159.06319	3.9
164.05594	4.1
167.01874	21.2
174.99229	2.5
175.04514	24.1
177.00955	16.8
177.06087	32.7
178.01086	2.2
180.05067	9.4
182.06642	57.3
183.06837	2.8
185.02969	93.7
190.03539	9.0
191.99942	2.1
198.06224	4.1
200.07680	28.5
203.02486	3.2
203.04050	26.3
206.08646	1.8
208.04578	25.2
209.04787	2.1
210.01112	2.5
211.15022	2.3
221.05112	6.7
226.05608	25.6
240.56450	2.0
244.06793	3.5
247.01416	21.8
252.03340	2.2
252.08635	3.6
252.12450	3.6
252.16164	2.2
270.04504	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	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.39628	0.2
62.59863	0.2
69.03435	0.7
70.06582	0.6
70.65410	0.3
70.65725	0.3
71.04977	1.0
73.02919	1.5
81.03385	0.4
94.04063	0.4
98.98472	6.5
99.04456	1.8
110.07186	0.4
117.05506	4.6
119.03529	1.2
136.06189	100.0
137.04567	0.6
137.06656	0.9
159.05057	0.3
177.06087	0.3
185.02954	0.4
221.86598	0.2
247.01480	0.3
252.10838	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	253.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09319	0.7
57.07066	1.4
60.04528	47.3
69.03421	0.6
70.06601	1.2
71.05005	1.6
72.15929	0.6
79.05520	0.7
81.07053	1.3
84.08141	0.7
84.58277	0.6
87.05591	1.8
91.05483	1.7
93.07010	1.0
95.08619	0.8
97.02890	0.7
98.98468	100.0
100.98856	0.7
103.05458	2.6
105.07059	0.7
107.04987	0.6
109.10184	0.6
110.07171	6.3
116.99506	2.4
120.08109	78.1
121.08453	1.7
127.99689	0.5
131.04933	1.3
132.08192	0.7
136.07571	2.0
141.05476	0.9
144.08069	1.4
149.05951	1.2
162.09155	1.8
166.08643	40.9
167.08984	0.9
172.95311	1.2
174.99260	1.3
176.98979	1.6
177.02348	0.6
188.92451	0.8
197.11761	1.4
197.80782	0.7
197.95789	0.6
207.11298	11.9
208.13399	1.3
219.73537	0.5
228.81415	0.7
235.10480	1.1
235.12308	0.9
253.11743	7.2
253.14584	0.8
265.15030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.70061	0.3
57.07071	1.0
60.04527	61.0
62.84074	0.4
69.03421	1.1
70.02959	0.9
70.60324	1.0
71.04977	0.7
71.12407	0.5
71.61653	0.4
79.05482	0.6
81.07076	1.0
83.06104	0.5
87.05600	2.3
91.05495	1.2
93.07044	1.1
95.08578	0.4
98.98466	57.7
99.04455	0.4
100.98878	0.7
103.05481	3.5
105.07019	0.8
107.04964	1.0
110.07155	3.0
116.99490	1.5
120.08102	100.0
121.08440	1.7
123.04535	0.4
131.04977	2.9
131.23299	0.4
132.08064	0.7
136.06134	0.5
141.05464	0.5
144.08087	3.1
149.05952	1.7
153.80476	0.4
156.07678	0.4
162.09161	2.7
166.08638	56.8
167.08966	1.2
174.99243	1.0
176.98880	0.6
197.11707	0.8
206.08154	0.5
207.11279	14.9
208.11568	0.4
235.10561	3.3
253.11765	6.9
253.14595	0.5
253.15439	0.4
254.17393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32938	0.6
55.01875	1.8
55.05512	1.7
57.07067	1.5
67.05500	3.3
68.99800	1.0
69.03438	0.7
69.07074	3.9
69.46849	4.2
69.47184	0.5
69.48600	0.7
72.98784	0.7
76.48152	0.8
79.05506	3.4
81.07059	12.9
83.04993	1.3
83.08614	1.9
86.38369	0.7
91.05487	2.1
93.07056	5.8
95.04980	1.3
95.08608	3.9
97.06538	1.6
98.98472	100.0
100.98884	1.3
105.07041	11.2
105.45508	0.8
107.04990	0.9
107.08594	7.0
109.06528	4.1
109.10177	2.6
111.08095	0.9
115.31182	0.8
116.99509	3.8
119.08588	6.1
121.06522	3.1
121.10136	5.6
123.08048	2.7
123.11716	10.0
127.07576	2.8
133.10141	1.0
137.13312	0.9
139.07570	3.3
140.43690	0.7
143.08588	1.1
147.08229	0.8
147.11685	28.0
157.10046	0.8
161.13336	0.9
165.12767	30.8
166.13168	0.8
171.11789	1.2
174.99232	1.2
175.11226	2.4
176.98990	0.9
183.13802	4.6
189.12796	2.0
193.12212	4.0
193.84760	0.6
197.11760	1.9
199.11197	1.4
207.13858	1.6
207.22098	0.8
217.12347	2.6
229.14305	3.4
235.13321	2.6
253.11861	1.9
253.14317	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	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03944	2.6
55.01868	1.3
55.05511	30.0
57.03436	2.4
57.07075	7.9
65.03944	1.6
67.05504	38.3
69.03432	3.8
69.07067	46.2
69.82790	1.6
69.83173	2.0
71.04977	4.8
71.08627	2.3
72.08157	4.7
79.05495	15.8
81.03410	2.6
81.07054	48.7
83.04982	4.8
83.08616	27.4
84.08184	0.8
85.06541	5.8
85.10186	1.7
86.09729	1.0
91.05483	14.1
91.45218	0.8
93.07043	20.7
95.04975	2.5
95.08604	44.2
97.02919	1.3
97.06525	7.3
97.10165	22.6
98.98465	100.0
99.04446	1.4
99.08064	4.5
100.98893	1.4
105.07034	11.5
107.08595	13.2
109.02897	5.9
109.06527	2.1
109.10155	19.3
111.08091	6.3
111.11711	7.6
113.06044	1.1
113.09640	2.8
115.07626	1.2
116.99514	2.4
117.07029	1.2
118.71236	0.7
119.08582	11.2
120.08145	1.5
121.09292	1.9
121.10142	21.3
122.10535	1.2
123.08095	4.2
123.11689	8.2
125.09664	2.8
125.13277	1.6
127.03864	2.0
131.08524	1.2
133.10132	13.3
135.11690	18.2
137.05917	1.0
137.09619	3.9
137.13257	4.2
139.11195	5.3
141.05441	1.0
143.89883	1.0
147.11685	12.1
149.13240	4.8
151.11189	4.2
151.14845	2.8
153.12750	3.1
161.13287	6.0
162.47920	0.8
163.14911	1.6
165.12778	3.7
171.11661	0.9
171.13586	0.9
175.14825	3.9
179.10681	1.1
179.14351	3.7
183.11696	1.0
191.17984	1.8
193.19504	4.0
197.11809	1.1
217.19505	17.6
235.20580	12.7
253.09418	1.0
253.11877	1.4
253.14229	1.5
253.19484	1.4
253.21672	14.2
254.21390	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	254.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07820	40.9
61.40388	40.4
69.92574	100.0
78.54928	47.5
101.58939	46.0
110.14095	42.0
152.94708	59.5
153.16978	43.7
154.42453	47.8
170.95886	88.4
211.92606	50.7
212.96733	73.9
230.65427	48.3
230.98018	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.1
56.96566	21.4
68.33071	2.6
69.58041	9.5
69.58443	6.3
70.06610	14.1
72.08140	17.3
83.06092	6.0
84.08145	11.4
84.26603	3.0
86.09705	50.0
87.10039	3.7
93.04555	4.2
97.06515	4.5
98.97585	37.3
98.98463	12.2
99.79758	2.9
101.00867	8.8
107.17697	2.8
110.07168	100.0
116.07095	4.7
116.98605	16.6
119.01917	19.2
120.01971	2.8
123.05549	8.2
128.10846	2.6
128.98647	2.8
134.99648	4.9
137.02986	3.2
139.68452	2.6
141.53815	3.4
156.07686	40.5
161.03185	2.8
172.94368	4.5
174.97672	7.9
177.00958	5.4
178.09723	3.9
179.00684	3.8
186.09726	14.7
192.98792	4.9
196.10789	5.0
197.06514	6.1
204.10771	6.7
206.06979	6.0
213.05438	3.7
214.09254	18.7
218.98466	3.1
219.00237	3.1
219.02081	5.3
224.08130	3.6
232.10309	44.8
233.23373	3.2
237.13452	7.6
243.08788	4.7
243.58871	3.9
252.07234	3.9
252.09308	11.7
252.59399	9.9
253.09441	5.5
253.60710	3.3
255.14554	17.4
259.00024	3.2
261.08121	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	255.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05512	26.7
57.03440	3.0
57.07075	5.3
67.05508	49.8
69.07072	17.5
71.04983	4.7
71.08639	1.6
71.18002	1.2
71.29767	1.2
71.30169	1.3
72.08159	1.3
79.05500	9.4
81.07055	46.8
82.06596	1.2
83.04984	1.4
83.08139	2.3
83.08620	32.0
85.06535	4.2
91.05479	6.4
93.07046	11.9
95.08607	100.0
97.06532	4.0
97.10168	16.8
98.98464	20.8
99.04496	1.4
99.08104	1.9
105.07009	7.1
105.99927	1.2
106.18661	1.4
107.08598	7.2
109.06535	1.6
109.10158	57.4
111.08085	5.0
111.11728	1.8
115.07616	1.7
119.08580	10.4
121.10146	3.2
123.08093	2.6
123.11690	7.9
125.09647	2.1
129.07018	1.5
129.09108	2.7
133.10118	12.1
135.11696	5.3
137.09547	1.7
143.08586	1.9
147.11678	5.7
149.13248	3.5
151.11198	1.6
151.14818	4.9
157.10172	1.7
165.16391	4.1
167.08578	1.3
171.08031	1.9
172.99776	1.1
175.14833	29.6
193.15889	20.7
199.11043	1.8
208.56583	1.3
210.18526	2.1
211.16920	11.1
220.17070	1.6
228.19595	37.9
229.17998	6.0
238.18010	2.8
255.13622	1.7
255.17551	3.1
255.20815	7.8
256.19037	33.3
256.21545	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	256.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01865	0.4
55.05514	2.6
56.05032	0.8
56.96582	1.2
58.06603	1.8
59.04994	0.2
67.05503	2.1
68.05026	0.6
69.07074	2.2
69.37229	1.0
69.37640	0.5
70.06590	1.7
70.16493	0.2
71.04995	0.5
71.95264	0.4
72.08163	0.7
79.05490	3.2
80.05008	0.5
81.05761	0.3
81.07059	4.2
82.06578	1.6
82.11156	0.2
83.04983	0.7
83.08614	0.8
84.08141	0.9
85.06571	0.4
91.05484	1.5
93.07043	2.3
94.06562	2.3
95.07369	0.3
95.08607	1.4
96.07553	0.4
96.08134	4.6
96.78667	0.2
97.06530	0.3
97.10164	0.4
98.09704	0.3
98.97581	5.5
98.98515	0.3
101.06018	0.8
103.05460	0.2
105.07045	1.4
105.89807	0.3
107.07357	1.3
107.08594	1.3
108.08126	3.0
109.08904	1.0
110.09679	1.4
111.04427	0.8
112.07603	0.3
116.98634	5.3
119.08577	0.8
120.08113	0.6
121.10152	0.8
122.09659	1.5
123.10473	0.4
124.11243	1.2
129.05484	0.4
131.04965	0.3
131.08562	0.5
132.05226	0.5
133.06392	0.3
133.10144	0.6
134.09677	0.4
134.99664	2.3
135.11731	0.3
136.11230	0.3
139.12531	0.2
143.08559	0.3
145.10133	0.4
161.13219	0.4
170.11754	0.4
180.13885	0.3
189.12772	0.3
190.15839	0.4
190.95398	0.4
192.13850	0.3
192.17542	0.7
198.14882	0.5
202.15881	0.6
213.20752	0.3
218.15392	0.7
220.16971	16.5
221.17247	0.3
222.15042	0.3
232.96361	0.5
236.16475	0.4
238.18022	19.9
239.18385	0.7
256.19080	100.0
256.96393	0.5
257.19376	3.0
274.97516	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	256.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39471	0.3
55.05514	2.0
58.06581	0.3
67.05498	2.0
68.05022	0.7
69.07064	2.9
70.06601	2.0
70.55256	0.7
79.05503	2.5
80.05009	0.5
80.56142	0.2
81.05807	0.3
81.07058	2.0
82.06573	1.9
83.08609	0.7
84.08136	0.4
89.50803	0.3
91.05478	1.0
93.07044	2.0
93.49801	0.3
94.06567	2.6
95.04983	0.3
95.07354	0.9
95.08609	1.1
96.08130	4.6
97.10158	0.4
98.97583	1.4
105.07028	1.2
106.06558	0.3
107.07375	1.2
107.08571	1.6
108.08124	3.2
109.08897	0.9
109.10108	0.4
110.09678	1.5
116.98596	0.6
119.08589	0.6
120.08084	0.9
121.10130	0.4
122.09679	1.8
123.10403	0.3
124.11236	1.5
131.08580	0.3
134.09677	0.4
136.11282	0.4
143.08589	0.3
145.10170	0.3
155.68083	0.2
163.11174	0.3
163.37054	0.2
170.11739	0.4
172.65346	0.3
176.14294	0.3
176.83717	0.3
190.15945	0.5
192.17493	0.8
198.14842	0.7
202.15825	0.3
218.15308	1.2
220.16965	17.9
221.17285	0.6
222.14828	0.3
236.16536	0.8
238.18015	22.0
239.18370	0.7
256.19067	100.0
256.96542	0.3
257.19427	3.6
274.97525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.227
Annotation	Andrachcine
Peak:m/z	Relative Intensity
53.03953	1.3
55.01877	5.7
55.05505	3.7
56.96558	1.4
57.03448	5.0
58.06601	6.3
67.05502	10.0
69.03444	0.9
69.07066	23.7
70.06586	3.1
71.30492	0.7
72.07749	1.5
72.08151	25.2
79.05490	6.6
79.94382	0.8
81.07053	19.9
83.08594	0.9
84.04476	1.2
84.08144	6.7
85.06534	1.7
85.08908	3.7
86.09690	3.3
91.05480	2.2
93.07042	4.2
95.08606	23.5
97.06522	6.1
98.09693	2.7
98.97575	6.2
98.98463	1.0
99.08105	0.9
100.11250	1.8
101.11607	1.1
105.07022	7.8
107.08564	1.5
109.06503	1.0
109.10170	4.2
110.07180	1.4
111.08071	2.7
112.11227	1.2
116.98630	6.4
119.08548	2.4
121.10124	1.1
123.08050	1.5
124.11207	1.1
124.33317	1.0
133.10107	2.5
134.99626	2.1
135.11723	0.9
151.11209	1.3
164.12549	0.7
167.17894	0.8
174.16829	0.9
175.14813	2.0
190.44740	0.9
193.15875	5.4
196.16956	3.4
229.15593	1.0
238.21642	58.6
239.22021	3.6
256.06967	1.0
256.09619	1.0
256.22711	100.0
257.18939	1.4
257.22968	3.4
274.97589	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98629	0.2
56.96568	13.2
69.07069	0.3
69.40514	1.3
70.02958	0.4
70.06597	1.4
71.95265	4.1
72.08154	1.2
79.68605	0.2
84.04501	0.6
84.08144	1.2
86.06097	0.2
86.09708	0.8
90.47321	0.2
98.23361	0.2
98.97587	100.0
99.97925	0.4
108.04485	0.2
110.07169	1.0
116.98624	44.5
117.98950	0.3
119.01953	0.8
129.10207	0.3
130.93288	2.0
134.99660	12.2
140.00183	0.6
153.00691	0.9
154.93355	0.4
156.07790	0.5
162.10034	0.2
171.10979	0.3
172.94356	4.7
174.97627	0.3
177.00951	0.3
190.95398	3.5
195.10390	0.2
197.07736	0.5
203.10214	0.4
208.96410	0.9
211.61630	0.3
214.95403	2.4
215.08714	0.5
226.10416	0.3
230.98506	0.3
232.96454	4.9
240.03271	0.4
250.97557	2.2
252.72035	0.2
256.96426	7.0
257.11023	0.3
257.19766	0.4
274.97501	45.0
275.97845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99876	3.1
59.24767	1.1
59.99932	1.1
60.05648	7.6
60.59210	1.0
70.06598	67.4
70.63184	1.9
70.63521	2.2
72.08157	5.1
76.91277	1.2
82.99885	1.2
83.00988	10.1
83.01469	2.1
83.06105	4.3
84.04526	2.4
84.08120	2.4
85.02946	1.1
85.62132	1.0
93.04536	1.5
97.07662	15.7
98.06064	1.6
98.97572	2.1
100.02471	1.5
100.03666	1.7
101.00883	6.3
101.02005	9.0
101.02583	1.8
107.56538	1.2
110.07177	18.3
112.03596	12.8
112.08738	2.3
114.04065	1.2
116.05620	3.5
116.98646	2.0
117.03999	2.2
118.04642	4.4
118.07194	1.4
119.01923	18.7
119.02888	1.4
120.02001	2.7
124.03937	1.4
125.04296	2.0
127.07187	2.0
128.05586	3.8
130.03616	1.5
130.04663	5.3
131.01932	4.1
132.06271	1.1
135.05013	1.6
137.01266	1.3
137.02954	3.7
140.06723	5.0
142.08250	8.3
143.01949	1.2
144.02011	1.4
144.05087	1.5
145.03474	2.3
146.03622	2.6
151.08371	1.5
152.05592	2.3
152.06783	5.5
153.05089	1.9
153.09915	1.6
154.08261	6.2
155.01912	1.5
155.06625	8.9
156.05086	2.6
156.07727	3.3
157.03462	1.3
157.10910	2.9
158.06563	1.2
158.07791	3.1
159.06819	2.0
160.09343	4.5
162.03189	1.6
168.06224	5.3
169.09354	23.6
170.06625	9.1
170.07878	3.0
171.06204	4.4
171.10921	38.3
172.09361	13.4
172.10925	2.2
173.07747	16.8
177.00969	4.7
179.06650	3.2
180.04999	2.1
185.03041	2.1
185.04741	3.4
186.07283	3.0
187.05669	2.7
187.10423	13.5
188.07654	1.6
189.11995	37.3
190.02618	2.1
197.07652	100.0
198.06131	9.0
198.07687	4.3
203.04091	1.7
211.02679	1.4
213.06149	1.8
215.04280	2.8
215.08826	90.1
215.10208	26.8
216.07111	4.1
216.08810	6.5
216.10477	1.9
217.04111	1.7
218.08592	1.3
219.01991	3.8
233.10962	32.5
233.13284	1.8
238.10481	3.5
239.09860	46.4
240.10223	1.6
243.02107	1.3
257.05154	2.9
257.10925	32.3
258.11172	1.8
258.16907	1.9
261.03073	17.6
262.03259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86869	1.0
54.83453	1.0
56.96563	1.6
60.05649	4.1
65.27025	1.1
69.47584	5.2
70.06596	54.5
72.08150	1.2
74.85078	1.0
82.52495	1.2
83.00982	5.8
84.08160	2.0
85.73655	1.1
86.09692	1.1
97.07664	14.2
98.06111	1.4
98.23365	1.1
98.97590	21.8
98.98199	1.8
101.00906	3.1
101.02017	5.4
110.07178	2.3
112.03587	8.6
112.08746	2.2
116.05576	1.1
116.98628	11.9
118.04690	1.7
119.01923	3.2
123.11402	1.0
127.37755	0.9
130.04640	3.1
132.06244	1.8
134.99687	3.8
137.05605	1.1
138.05135	1.0
140.06721	2.4
142.08223	5.0
142.79221	1.0
149.17877	1.0
151.08337	1.5
152.05595	2.1
152.06755	2.8
153.05113	2.4
153.09824	1.1
154.08276	3.5
155.06656	7.1
156.05122	2.4
157.10870	2.4
158.07755	1.9
160.05634	1.1
160.09354	3.5
168.06233	2.8
169.09370	15.5
170.06619	6.2
170.07497	1.0
170.07861	1.8
171.06250	2.2
171.10919	22.1
172.09343	6.8
173.07721	14.7
177.00943	1.3
179.06612	2.4
180.04987	1.4
180.06358	1.7
186.07344	2.3
187.05746	1.9
187.10416	7.9
188.07718	1.4
189.11980	19.1
189.13609	1.7
197.07687	100.0
198.06160	7.7
198.07765	3.4
208.95987	1.4
215.08569	88.9
216.07175	4.6
216.08885	4.9
221.08784	1.1
232.96417	1.9
233.10962	13.7
238.10341	1.8
239.09889	44.2
240.08218	1.8
240.10318	1.6
250.97179	1.1
257.10956	28.4
257.13547	1.5
274.97501	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	257.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05646	5.4
70.06595	59.1
71.20457	4.1
78.09991	2.5
80.25442	2.4
83.00948	4.5
83.06108	9.8
88.30634	2.3
93.04510	2.8
95.06050	3.4
97.07645	14.5
98.97598	4.2
101.00899	2.6
101.02003	5.2
110.07161	50.8
112.03580	8.2
116.05639	4.2
119.01934	10.8
119.03756	3.0
120.04984	2.6
130.04710	3.6
140.06682	2.9
142.08223	6.9
155.06706	4.1
156.07687	9.1
157.10893	3.7
161.02982	2.5
169.09348	9.4
170.06657	5.5
171.06151	3.4
171.10909	22.2
172.09337	6.5
173.07689	12.5
179.06706	2.7
187.10399	4.2
189.11952	20.8
197.07683	100.0
198.06122	7.4
198.98439	2.6
215.08572	93.8
216.06979	4.3
216.08821	5.0
228.80429	2.9
233.11052	13.8
239.09772	40.5
256.97549	3.8
257.10834	34.2
257.16299	2.9
274.97681	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03945	1.2
55.05497	1.0
56.96563	2.7
57.07038	1.1
65.03938	4.9
67.05515	6.4
69.07058	3.2
70.06593	2.0
71.30100	1.4
79.05505	2.4
81.07048	4.3
82.02920	1.1
84.08142	2.1
91.05478	5.5
91.49599	0.9
92.05001	8.2
93.07045	3.8
94.06567	3.7
95.04956	1.6
95.08591	3.6
98.97577	15.7
105.07023	4.0
106.06573	1.7
107.07375	1.5
107.08603	1.7
108.08129	2.8
110.06047	3.0
112.11201	1.3
115.05453	1.4
116.98630	11.8
117.07005	2.0
119.08591	2.4
120.04461	4.3
121.10114	1.3
122.06020	5.9
128.06206	2.0
129.06960	3.5
130.06540	1.3
131.08594	7.4
132.08078	1.7
133.10156	1.3
134.06038	1.2
134.99661	7.2
136.07544	2.3
138.09099	1.2
141.07022	2.6
142.07768	3.2
143.08549	3.8
144.08064	2.6
145.09108	1.1
145.10104	5.2
146.06021	1.7
146.09631	1.6
147.11700	1.7
154.06520	2.0
154.07722	2.2
155.07306	1.7
155.08510	2.1
156.08023	2.9
156.09273	1.2
156.13818	4.1
157.07625	1.7
157.10121	3.5
158.09612	2.0
159.08032	1.2
159.09219	1.8
159.11665	2.2
160.07561	2.8
162.05530	1.8
164.07086	6.6
167.08549	1.4
168.06793	1.4
168.08066	3.7
169.08875	6.1
169.10155	1.7
170.08344	1.5
170.09628	1.3
171.09201	3.6
171.10435	1.6
171.11699	2.5
172.07587	3.3
172.09981	3.6
173.08380	1.4
173.10786	1.4
173.13214	1.5
174.09169	2.3
174.12827	1.9
182.06003	2.6
183.06802	2.6
183.09224	2.2
183.11736	1.8
184.07594	5.3
184.11212	9.1
184.13451	2.3
185.07115	3.9
185.10727	6.4
186.11485	10.6
186.12906	1.5
187.08636	4.2
188.10706	1.1
196.07582	1.3
196.09892	1.5
197.08344	9.8
197.13113	2.2
198.09302	1.6
199.08591	9.6
199.14725	2.3
200.09416	15.9
201.10170	3.9
201.13879	16.6
202.12282	3.2
202.14183	1.2
211.08691	2.7
212.08749	1.4
212.10704	17.8
213.06660	10.3
213.10170	11.8
213.16444	1.2
214.07454	2.0
214.10849	12.1
224.09464	2.5
227.08105	11.8
228.08864	24.2
228.10831	1.4
229.09811	24.6
229.13338	56.9
230.11768	3.5
230.13802	1.6
232.96411	1.2
239.11746	3.7
239.17928	1.6
240.10201	5.9
241.09680	20.7
242.07971	1.8
242.10481	36.2
257.12848	100.0
257.18970	9.6
257.22604	3.0
258.11142	17.9
274.97501	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	258.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	61.0
57.88633	4.8
57.95696	5.2
58.06591	19.3
65.49150	4.0
67.05485	6.0
69.07078	5.7
69.95667	19.7
70.06593	18.2
71.95261	6.6
72.08148	17.6
79.05485	9.7
81.07090	5.6
82.06553	6.9
82.78242	5.5
83.97617	25.4
84.04496	8.0
84.08147	18.8
86.09726	5.1
93.07061	5.9
94.06538	4.9
96.08128	30.7
98.97588	48.5
99.97916	7.2
112.47964	4.6
114.09164	48.9
116.98647	33.1
117.99012	5.7
119.08590	4.9
121.10142	5.8
128.00218	22.7
128.10736	6.7
134.99657	19.2
146.01257	57.7
153.61821	4.9
155.99654	10.3
164.02293	93.8
174.00745	34.4
176.14189	5.2
182.03314	25.6
184.71027	5.5
192.01706	5.9
204.13725	5.2
210.04399	6.9
218.06964	31.5
228.05470	19.9
236.08066	9.8
240.15945	26.8
246.06514	10.1
258.06790	25.9
258.16965	92.8
258.20609	41.6
258.99814	12.2
271.64157	5.3
275.97806	22.6
276.07553	100.0
277.00778	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64098	0.3
55.01868	0.6
55.05516	0.3
56.05033	1.2
57.03436	1.0
58.06601	1.1
58.07611	0.2
60.06733	0.2
62.56287	0.2
67.05494	0.3
69.22892	0.8
69.23318	1.0
70.06601	3.0
72.08157	100.0
73.02916	0.6
73.08484	0.9
79.05489	0.9
81.07057	1.1
82.06570	0.7
84.08154	1.7
86.09709	0.8
86.12981	0.3
87.04489	0.5
91.05471	0.4
93.07047	0.9
95.04963	0.3
95.08617	2.1
96.08129	0.4
97.06530	0.8
98.09705	0.5
100.07633	0.8
101.02374	1.7
101.08392	0.3
102.09203	0.4
105.07025	0.3
108.08218	0.3
110.09692	2.1
111.04450	0.7
112.08746	0.3
115.03972	0.4
117.07005	0.3
119.08512	0.4
121.06509	0.5
124.11222	2.5
130.12320	0.4
144.08067	0.4
149.09592	0.7
153.09059	0.5
167.10693	0.5
177.09082	0.2
234.99019	0.3
240.16005	4.2
258.17010	82.8
258.20505	5.2
259.17340	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	258.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.75343	0.2
56.05037	2.3
57.03428	0.6
58.06602	100.0
59.06936	0.6
65.70612	0.2
67.05506	0.5
68.05020	0.3
69.05016	0.3
69.07095	0.3
69.73425	0.9
69.73798	0.5
70.06597	2.4
72.08138	1.5
79.05502	0.8
81.05853	0.3
81.07061	1.0
82.06583	1.1
84.08153	0.5
87.04467	3.1
88.00816	0.3
88.07656	0.4
91.05505	0.5
93.07044	1.3
95.07356	0.7
95.08617	2.4
97.06555	1.3
97.16358	0.3
98.22750	0.4
98.97592	0.8
101.69956	0.3
105.07021	0.3
107.08614	0.5
108.08134	1.4
110.09686	10.1
115.03933	2.5
120.08167	0.3
121.10154	0.3
123.08054	0.7
125.06019	0.7
125.94734	0.3
135.08064	1.0
145.10156	0.3
149.09627	0.5
151.07547	0.3
153.09148	1.6
163.11183	0.9
178.84485	0.3
191.10695	0.9
209.11676	0.5
210.07080	0.4
222.14809	0.5
240.15939	6.6
240.19565	0.6
258.17017	63.6
258.20389	2.1
259.17325	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	258.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05516	2.0
56.05031	4.1
57.03444	0.7
58.06599	4.9
62.23835	0.5
62.24115	0.4
67.05505	4.2
69.07059	1.9
69.10197	0.3
69.42252	0.7
69.42653	1.5
70.06596	5.1
71.04989	1.4
71.07382	1.0
72.08154	4.3
76.34603	0.4
79.05516	1.1
81.07065	4.3
82.06568	0.5
83.04964	0.6
83.08643	0.6
84.08146	6.1
85.06541	0.8
86.09687	0.5
88.07620	2.2
91.05477	0.5
93.07043	1.2
95.08611	2.4
96.08156	1.7
97.08934	0.9
98.09684	3.0
98.97585	1.1
105.07014	1.1
107.08607	1.2
109.06544	0.3
109.10172	2.0
110.09702	0.9
111.89498	0.3
112.11253	0.9
115.59468	0.3
116.98631	1.0
121.10152	0.4
121.69614	0.3
167.16405	0.4
168.13832	0.8
186.14838	0.7
211.38313	0.4
222.18526	3.6
240.19589	44.8
241.19905	1.5
258.20648	100.0
259.20956	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	258.2064
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05275	0.2
55.05512	3.2
56.05035	0.6
57.03425	0.5
58.06603	4.0
60.95922	0.2
62.23806	0.3
67.05504	3.7
69.07069	3.2
69.71539	0.4
69.71913	0.4
70.06593	16.0
71.04980	0.7
79.05490	2.1
81.07056	10.0
82.06572	0.7
83.04987	0.3
83.08603	1.5
84.04494	0.6
84.08125	0.7
85.06534	0.6
91.05476	0.6
91.81113	0.2
93.07040	1.8
94.06599	0.2
95.08608	7.9
96.08119	1.3
97.06541	0.4
97.10162	0.5
98.09669	1.1
98.23358	0.2
99.08060	0.4
105.07014	0.9
107.08597	1.5
109.06516	0.4
109.10172	1.5
110.09683	0.3
112.47305	0.2
119.08547	0.8
121.10140	1.4
123.08055	0.5
123.11700	0.9
131.08572	0.4
133.10095	0.3
138.49222	0.2
140.10701	0.7
145.10046	0.3
147.11673	0.6
158.11758	0.2
187.14792	0.4
194.15366	0.4
194.19026	0.3
205.47318	0.2
222.18527	18.8
223.18941	0.5
240.19577	54.1
241.19949	1.7
258.20636	100.0
259.21030	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	258.2065
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05503	0.6
56.05038	0.5
57.03439	4.3
58.06599	0.9
65.20790	0.2
67.05508	1.1
69.07078	0.9
69.15887	0.6
69.16302	0.9
70.06598	1.3
71.04984	0.6
72.08154	24.8
73.08475	0.2
79.05500	1.1
81.07059	2.9
82.06591	0.5
83.04978	0.2
83.08601	0.6
84.08150	1.9
85.06545	1.0
85.08922	1.6
86.09696	0.7
91.05473	0.5
93.07049	2.1
95.08600	2.8
96.08132	0.4
97.06522	0.9
98.09692	1.8
98.97578	0.8
99.04455	0.3
100.07625	1.3
101.02391	0.4
102.09182	1.6
105.06991	0.5
107.08595	0.9
109.06503	0.3
109.10137	0.4
110.09680	0.6
111.08094	0.6
113.05971	0.3
116.98602	0.5
119.08562	0.6
121.10152	1.5
123.08062	1.0
124.11247	0.4
131.08548	0.2
133.10114	0.3
135.11679	0.5
139.11154	1.4
144.63544	0.2
149.13257	0.8
159.11755	0.3
177.12753	0.5
186.14882	1.3
195.13824	0.4
210.57152	0.2
240.15894	0.8
240.19553	4.3
258.17053	14.7
258.20630	100.0
259.17352	0.4
259.20963	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	258.2064
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.05516	1.7
56.05043	3.2
56.96578	0.4
57.03434	3.7
58.06600	64.0
59.06938	0.6
67.05503	3.9
69.07086	2.3
69.21117	2.8
70.06591	4.9
71.04993	1.0
71.07382	0.6
72.08155	23.1
79.05495	3.1
81.03458	0.6
81.07059	7.3
82.06577	0.8
83.08629	0.7
84.08137	8.9
85.06538	1.0
85.08924	2.3
86.09720	1.2
87.04477	1.8
91.05487	1.8
93.07034	4.7
95.08602	6.0
96.08140	1.1
97.06523	2.1
98.09698	6.5
98.22578	0.8
98.97576	2.2
99.04477	0.5
102.09188	0.6
105.07051	0.9
107.08594	2.2
108.08123	0.8
109.06487	0.7
109.10177	1.2
110.09676	6.8
111.08124	1.2
112.11257	1.2
114.09168	0.5
115.03974	1.0
116.98588	2.2
119.08617	1.9
121.06541	0.9
121.10184	1.7
123.08073	1.2
126.12814	0.5
131.08563	0.6
133.10153	1.0
134.99696	0.8
135.08104	0.8
135.11691	2.5
138.32141	0.4
139.10191	0.4
147.11797	0.5
149.13326	1.3
153.09181	1.1
153.90919	0.4
159.11777	1.2
163.11494	0.4
177.12808	1.3
190.30606	0.4
191.10727	0.6
195.13786	0.7
198.40550	0.4
204.92531	0.4
209.11876	0.5
210.04529	0.4
212.70956	0.4
222.14984	0.8
222.18602	1.4
230.28983	0.4
240.16121	4.4
240.19574	47.6
241.19827	2.0
258.17154	37.1
258.20761	100.0
259.17438	1.5
259.21048	3.2
275.97894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27514	0.0
55.05518	0.2
56.05032	0.2
57.05828	0.2
57.07071	6.7
58.06328	0.2
58.06583	1.5
58.07398	0.1
63.12407	0.0
66.64451	0.0
67.05522	0.1
69.07058	0.1
70.06587	1.5
70.72045	0.0
71.08627	3.0
71.29999	0.1
72.08150	26.5
73.08491	0.1
73.57875	0.0
74.48179	0.0
81.07072	0.0
85.10178	1.0
85.56039	0.0
88.07623	1.9
89.08443	0.1
90.09186	19.8
91.05488	0.1
91.09519	0.1
93.07050	0.1
105.07030	0.1
117.07059	0.1
131.08556	0.1
147.11668	0.1
212.23695	0.2
214.25293	1.1
258.27890	100.0
259.28232	3.5
259.31076	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73743	0.4
54.98653	0.6
56.96305	0.7
56.96568	11.3
67.84452	0.4
70.08585	0.4
70.74174	1.1
71.95276	3.5
84.08157	0.5
86.16538	0.5
98.97587	100.0
116.98627	71.2
119.01905	1.6
122.85287	0.4
134.99661	36.0
140.00182	1.3
153.00696	5.5
158.01242	1.1
165.82367	0.4
177.01027	1.0
179.00739	1.2
192.94878	0.9
205.02228	1.1
210.95930	2.5
216.98685	0.6
219.02034	2.2
234.95929	0.9
234.99788	0.7
236.98640	2.1
240.98665	3.4
252.96938	1.2
253.96747	0.5
258.99777	50.3
259.99951	3.1
277.00818	62.4
278.00998	2.1
279.01184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.3
55.05506	0.7
56.05026	0.6
56.96567	10.3
57.97357	0.3
69.07056	0.3
69.64616	1.2
70.06590	1.5
70.99873	0.3
71.95263	2.8
72.08160	4.5
76.66663	0.2
84.04514	0.7
84.08145	17.7
85.08449	0.4
86.09702	3.5
89.38155	0.3
90.05515	0.2
95.04976	0.5
98.23329	0.3
98.97585	100.0
99.97939	0.6
100.02196	4.6
100.97195	0.5
100.98033	0.3
101.00880	0.8
101.10751	0.4
107.81865	0.3
112.08762	0.4
115.08680	0.4
116.98622	43.3
118.99055	0.3
119.01908	1.5
122.32640	0.2
129.10236	4.1
130.08649	1.1
131.01924	0.3
132.50868	0.2
133.03445	0.9
134.99661	11.5
135.99956	0.2
140.00180	0.6
142.05634	0.2
144.10190	2.0
146.02696	5.5
147.11275	2.0
148.05983	0.3
149.02899	0.3
153.00691	1.0
158.99559	0.4
161.12857	2.0
169.03487	0.3
171.01411	0.3
174.97597	0.3
175.00882	1.0
177.02530	0.3
189.02391	0.6
201.00954	0.3
213.06952	0.8
216.98729	1.1
217.01860	1.6
219.01704	0.3
234.99788	0.7
235.02991	1.2
240.98590	2.9
242.18471	0.4
243.17081	0.8
258.99768	41.3
259.04211	1.5
259.07285	0.9
259.09750	0.6
259.99991	2.1
260.19858	2.5
277.00806	49.6
277.10703	1.9
278.01022	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89946	1.0
53.03945	3.2
55.01876	14.0
55.05513	13.8
55.36816	1.0
56.05040	14.6
57.03441	6.9
57.98806	1.7
58.99585	14.1
60.83339	1.0
61.01145	4.0
67.05495	5.2
68.05011	5.3
69.03092	1.7
69.03433	23.8
69.07063	4.7
70.02956	1.5
70.06588	1.6
72.08144	3.6
73.02892	1.8
73.98767	1.0
74.00666	1.9
76.02221	5.1
76.03992	3.1
79.05492	58.6
80.04985	6.0
80.05827	1.7
80.44968	1.1
81.03425	7.4
81.05798	2.3
81.07063	35.9
82.06569	12.6
83.04986	1.6
83.08615	4.0
84.04506	13.9
84.08143	5.0
85.01130	100.0
85.02891	9.9
85.04020	7.1
86.00653	30.2
86.01428	1.5
86.09711	13.5
86.99049	7.6
87.04472	8.6
88.02206	6.1
88.03980	1.8
91.05479	4.6
92.01707	2.1
93.07030	6.6
94.06579	10.3
95.04952	6.5
95.08607	6.2
96.08133	15.0
97.01110	5.0
97.02895	21.6
97.06534	1.7
97.08926	8.4
98.09690	35.5
98.23357	3.1
99.04443	5.0
100.02189	2.9
103.05492	1.5
105.04501	2.2
105.07050	7.4
107.04938	1.4
107.07333	2.1
107.08590	2.0
108.08124	6.9
109.02851	1.4
109.06516	1.2
109.08891	3.4
109.10133	2.0
110.09683	14.9
111.02699	1.6
111.04404	1.6
112.03966	12.8
113.03625	3.8
113.04230	98.3
115.03915	8.0
116.01671	20.7
116.98647	1.3
117.06975	1.3
119.08568	4.3
121.10117	1.6
122.09672	14.6
123.04438	2.2
123.10463	3.2
127.03944	2.7
127.05778	1.3
129.07304	1.3
130.04997	44.0
131.04524	4.0
131.08522	3.6
133.04967	2.7
133.10101	2.6
139.05777	6.1
142.07776	1.2
143.02701	3.1
144.01146	4.3
145.04959	2.3
145.06068	2.0
145.10112	2.8
146.11771	3.7
149.05914	1.8
151.03934	1.9
156.08423	75.9
156.10191	41.8
157.08717	1.7
157.10040	2.0
159.11664	1.9
161.13171	1.4
162.02190	8.4
165.05417	1.3
169.05046	1.4
177.03293	9.8
185.13174	1.3
189.03244	7.1
196.64674	1.0
201.16388	3.0
203.07109	1.2
213.12766	1.6
228.90231	1.3
241.19615	1.5
242.08441	13.7
259.08151	4.2
259.11115	55.6
259.13705	2.2
259.16910	2.9
259.20779	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	259.1668
Annotation	O-1821
Peak:m/z	Relative Intensity
51.15944	0.4
57.07060	0.8
69.87419	1.8
72.08135	2.2
79.87832	0.4
82.00538	0.4
89.28316	0.4
89.83604	0.4
90.09178	1.2
91.05486	0.8
95.08620	0.8
98.22730	0.5
105.07050	1.1
107.08556	0.4
117.06983	0.9
119.08549	0.7
121.10165	0.4
122.56568	0.4
131.08601	0.9
141.47812	0.4
145.10120	0.6
147.11652	0.6
157.10127	0.7
159.11679	1.6
171.11664	0.7
173.13229	0.8
185.13156	0.4
188.57542	0.4
195.57768	0.5
199.14803	0.8
201.16344	1.0
258.27924	2.4
259.16690	100.0
259.28244	8.1
260.16907	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	259.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.2
69.03422	0.4
69.07059	0.5
69.59934	0.9
85.02911	0.3
86.09705	100.0
87.10039	1.0
97.02920	0.4
146.11755	30.2
147.12088	0.5
199.18083	2.0
227.17596	0.3
243.86362	0.2
259.20166	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.20659	1.8
53.70551	1.9
54.00202	1.9
55.05516	10.2
57.07055	3.8
63.27754	1.7
67.05502	5.7
69.07070	36.2
69.36502	13.1
71.05007	18.8
74.22334	2.2
79.05485	8.5
81.07061	17.7
83.05009	2.2
83.08625	6.6
84.59969	1.8
85.06555	20.1
87.36187	1.9
91.05464	9.9
93.07047	13.8
95.04980	3.4
95.08620	21.8
105.07037	22.7
107.08601	19.2
109.06519	5.6
109.10160	12.3
111.08080	7.8
117.07043	6.9
119.08592	41.8
120.09406	2.7
121.10185	10.7
121.10892	2.0
123.08054	2.0
123.11714	21.4
129.01859	3.5
129.06970	3.7
131.08571	15.9
133.10126	33.7
135.08047	8.6
135.11716	5.7
137.09644	3.5
142.07747	2.6
143.08574	8.5
144.09363	2.7
145.10127	29.9
147.11696	16.5
149.09648	3.4
155.77100	1.9
156.09357	3.7
157.10138	14.8
159.11713	29.2
161.09656	3.8
161.13263	32.0
163.11189	4.2
170.10916	5.7
171.11687	13.7
173.13252	11.9
175.11237	5.8
175.14833	83.6
176.15479	5.7
177.12737	3.9
177.16397	3.9
185.13272	13.9
189.12718	4.2
189.16414	6.3
190.13553	3.5
191.14311	1.9
199.14828	5.2
201.16405	22.9
203.14297	10.8
215.17960	7.0
217.19572	3.0
241.19485	16.3
259.20602	100.0
260.20941	4.6
260.23633	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.02670	0.5
55.01885	0.8
55.05528	1.0
56.05037	6.5
56.05286	0.5
56.96589	0.6
57.03446	0.7
58.06598	3.7
59.93984	0.4
67.05508	1.3
69.07063	2.2
70.06600	2.2
70.11186	0.4
70.56266	0.4
71.04981	0.6
71.28845	0.5
72.08159	10.8
74.90179	0.4
79.05477	0.8
81.07057	4.7
82.06588	0.6
83.06106	19.3
84.04507	32.1
84.08144	100.0
85.06564	0.5
85.08479	1.1
86.09706	64.7
87.04463	1.7
87.53871	0.4
91.05466	0.8
93.07052	0.5
95.04968	1.4
97.06530	0.4
98.97577	0.5
101.00874	0.6
101.02360	1.2
101.07148	3.0
101.10766	3.7
102.09184	0.7
105.07024	0.7
111.04446	0.7
112.07601	0.7
113.06012	0.5
115.03893	0.6
116.07041	0.5
119.01876	0.7
119.08553	1.1
120.08082	0.5
129.06589	2.1
129.10245	19.7
130.05003	13.0
130.08641	14.9
131.11769	0.6
132.10205	11.5
133.03429	0.8
133.10086	1.0
143.11807	2.6
144.06505	1.3
144.10179	1.1
147.07645	16.4
147.11290	19.9
148.05989	1.6
151.11118	0.6
157.13326	1.4
161.09193	2.1
162.07545	0.7
171.11198	0.5
179.10649	1.0
193.12106	0.5
196.14488	3.5
197.12868	12.0
197.16409	1.0
224.16234	1.2
225.12180	1.6
225.15710	0.7
229.03137	2.1
242.14786	23.2
242.17352	15.6
243.13397	12.1
243.17076	6.6
250.64381	0.5
260.15851	1.6
260.18658	22.5
261.05585	7.9
261.09119	2.0
261.14191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05503	3.4
56.05033	9.3
58.06617	4.7
59.38067	0.9
67.05502	1.3
68.36877	0.9
69.07065	2.7
70.06559	1.3
70.77560	2.2
72.08160	40.1
79.05502	1.0
81.07050	6.2
83.06107	47.6
84.04507	84.4
84.08145	68.6
84.08532	1.4
86.09708	100.0
87.04464	2.5
87.10041	1.5
89.18705	0.9
91.05478	1.2
93.07033	1.7
97.06553	1.1
101.07145	7.5
101.10768	1.8
105.69531	1.0
110.09652	1.0
116.07137	1.5
129.06607	4.0
129.10236	12.8
130.08636	7.3
132.10202	25.7
133.10150	1.3
141.06618	1.4
143.11798	2.4
144.06564	23.1
144.10197	5.0
145.06848	1.0
147.07646	1.5
147.11276	9.2
152.10715	1.9
157.13379	13.2
161.09221	24.0
161.12833	5.5
171.11292	1.2
172.04247	1.2
185.12868	3.3
189.12415	1.6
193.12201	1.4
196.14478	7.5
197.12862	26.4
197.16852	0.9
224.16496	3.2
225.12341	2.7
228.74059	0.9
242.15012	58.4
242.17545	14.4
243.13383	22.9
243.15544	1.3
243.17247	2.3
244.14000	1.3
245.78448	0.9
260.16010	2.8
260.18747	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	260.1858
Annotation	L-Hexanoylcarnitine
Peak:m/z	Relative Intensity
55.01879	5.7
55.05502	2.1
55.21100	1.1
56.05040	15.6
57.03425	4.5
58.06316	1.7
58.06603	33.5
60.61922	1.0
67.05501	2.5
69.79708	4.3
70.06591	2.8
71.04993	5.4
71.07381	1.0
72.08158	3.1
74.31844	1.1
79.05491	10.0
81.07059	50.1
81.85001	0.9
82.06573	1.7
82.36626	1.0
83.04971	2.1
84.08144	11.4
86.09710	3.3
87.04471	28.8
91.05500	5.2
93.07067	5.0
95.08612	4.0
96.08138	1.3
97.06541	5.5
97.08942	1.1
97.10182	2.1
99.04492	1.3
99.08093	2.0
100.07603	1.1
102.44347	1.0
105.07040	7.1
107.08595	3.3
108.08101	1.7
109.10124	1.4
110.09663	4.6
111.08079	3.8
113.06009	3.5
115.03925	12.9
119.08565	5.4
123.08060	2.7
125.05954	2.2
125.09629	2.5
129.07022	1.3
131.08572	3.7
133.10133	8.1
134.21121	1.0
135.08060	2.4
137.09587	3.8
147.11700	6.6
151.11209	4.0
153.09152	1.5
157.10101	2.6
165.12796	4.0
175.11197	6.5
182.15425	1.7
193.12245	8.5
211.13293	5.9
224.16470	11.4
242.17516	100.0
243.17809	2.4
260.18573	80.9
261.19122	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	260.1969
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05507	0.6
55.94614	0.2
56.04797	0.3
56.05036	3.7
58.06590	0.9
67.05511	1.3
69.07066	1.5
70.06573	0.8
71.28559	0.4
72.08154	3.6
77.62258	0.2
81.07059	2.0
82.06583	0.3
83.06100	2.4
84.04503	8.8
84.08143	100.0
85.06551	0.3
85.08477	1.1
85.77406	0.3
86.09704	30.4
87.04459	0.4
88.52056	0.3
94.93013	1.2
95.04977	0.4
95.08571	0.3
98.97587	0.4
101.00896	0.5
101.07164	1.0
101.10774	3.6
102.05531	0.6
102.09194	0.6
105.07025	0.4
111.09261	0.3
112.07622	0.8
119.01944	1.2
119.08617	0.3
129.06654	0.6
129.10239	18.3
130.05008	6.9
130.05910	0.5
130.08641	10.0
131.11861	0.5
132.10201	3.0
132.10966	0.3
133.03439	0.3
143.11842	1.1
144.06647	0.5
144.10216	0.3
147.07642	8.9
147.11276	14.6
148.06091	0.7
151.11240	0.6
161.03026	0.3
161.09305	0.4
165.12932	0.3
171.11377	0.7
183.55919	0.3
193.12503	0.3
196.14517	0.7
197.12846	2.5
197.16597	0.6
219.03648	0.4
225.12453	0.5
225.16151	0.7
229.03384	0.9
242.15182	3.2
242.17825	4.2
243.13461	2.6
243.17035	7.3
244.17528	0.4
260.10590	0.3
260.19830	17.1
261.03317	0.6
261.05814	3.2
261.09741	1.2
261.14679	0.3
261.19904	0.3
281.21844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1971
Annotation	H-LYS-ILE-OH
Peak:m/z	Relative Intensity
51.01257	0.3
52.20024	0.3
55.05500	0.4
56.05034	3.1
56.96566	2.5
58.06594	0.6
66.18593	0.3
67.05495	1.2
69.07066	1.2
69.68393	1.4
70.06591	3.0
71.95245	0.4
72.08154	2.4
81.07042	0.7
82.06606	0.3
83.06111	0.5
84.04497	2.6
84.08142	100.0
85.06541	0.4
85.08475	1.3
86.09705	16.8
87.04465	0.4
88.08759	0.6
98.97582	21.3
99.97901	1.9
100.97196	0.3
101.00902	1.2
101.10778	3.1
102.09232	0.4
102.96900	0.6
110.07154	0.4
111.26416	0.3
112.07616	0.6
116.07084	0.5
116.97800	0.7
116.98615	9.9
117.98965	0.9
119.01892	1.8
129.10239	12.2
130.05000	3.9
130.08638	4.6
134.99661	3.1
137.03015	0.4
143.11797	0.3
144.10208	0.7
147.07635	4.8
147.11285	7.9
148.06087	1.2
152.14406	0.4
158.99896	0.6
161.12904	0.5
171.11375	0.4
173.09190	0.5
177.00949	3.8
197.16513	0.7
201.01089	0.9
217.04137	0.7
217.98944	0.4
219.01999	5.7
219.04128	0.3
225.00946	0.7
226.14471	0.3
241.98846	0.6
242.17691	0.9
243.02003	2.3
243.13318	0.4
243.17032	6.1
243.19266	0.5
259.99945	6.3
260.17218	1.4
260.19739	13.8
260.99832	2.3
261.03058	25.5
261.09430	0.8
261.14569	0.5
269.44794	0.3
278.00949	7.5
278.07922	0.4
278.97168	0.6
279.00723	3.3
284.04898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.2
55.05274	1.7
55.05514	21.2
56.05027	3.5
57.07077	9.6
58.99586	21.4
59.69039	1.2
61.01154	6.0
62.00653	1.1
68.05019	2.2
69.07064	3.0
70.02943	1.6
70.06592	6.7
70.90723	1.9
70.91068	1.4
73.00864	0.9
73.01151	9.4
74.00668	10.0
74.02418	1.3
76.02225	4.0
76.03989	4.8
79.05499	7.2
81.07055	25.1
82.06564	4.0
83.08624	19.5
84.04499	11.3
85.01138	8.0
85.04031	1.7
86.99052	9.7
87.02682	1.4
88.02226	7.2
88.07613	1.3
91.05475	1.3
93.06989	1.1
95.08591	2.4
96.08111	1.7
97.48864	1.3
98.09687	6.0
98.23388	1.4
99.02673	8.9
100.11258	45.8
100.96889	1.0
102.03752	1.2
107.08593	3.0
112.03966	17.6
112.11248	16.0
113.04245	2.1
115.05785	17.5
116.01683	33.3
116.04542	2.2
116.05314	24.8
124.11241	6.6
130.05023	15.4
132.82329	1.1
140.43857	1.1
141.07326	18.0
143.08931	1.2
144.01129	6.2
158.09988	100.0
158.11754	58.0
159.10316	2.2
159.12053	1.2
160.00618	1.4
162.02219	14.8
215.12161	1.2
244.10028	49.4
245.10170	1.3
261.12686	70.3
262.13113	1.6
262.23764	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	261.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
54.06025	0.3
55.05505	0.9
60.05650	2.1
69.07053	0.6
70.06586	0.7
72.08156	13.1
73.04034	0.4
77.03921	0.5
84.04476	0.3
84.08144	1.0
85.08450	0.3
86.09222	0.4
86.09711	6.2
89.10787	1.0
93.07056	0.3
95.04974	0.5
95.08584	0.4
97.07646	3.4
98.06043	0.7
98.23418	0.6
103.05464	27.0
104.05786	0.4
105.07042	0.3
114.10289	34.2
115.08702	4.6
120.08102	4.6
130.06491	0.6
131.04924	100.0
131.12918	1.0
132.05249	2.2
134.58179	0.3
138.08754	0.3
148.07579	0.4
161.02155	0.3
170.09523	0.3
201.13867	12.8
202.12262	14.6
202.22766	0.3
203.12663	0.5
204.57938	0.3
219.14917	1.3
244.14447	15.5
245.14688	0.3
261.17096	53.6
262.17432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03946	2.0
54.01373	0.7
55.05513	23.1
57.07052	0.9
58.42564	0.8
59.04999	3.9
65.03943	1.2
67.05511	9.6
69.07072	11.7
71.04984	3.4
71.08141	0.9
73.06541	1.5
79.05498	13.1
81.07059	37.8
82.07377	1.1
83.04988	5.8
83.08629	1.7
85.06532	5.0
91.05477	17.5
93.07046	25.0
94.07383	0.9
95.04967	1.8
95.08612	18.6
95.09203	0.7
97.06534	1.8
99.04461	8.6
101.06028	8.5
103.05466	1.9
105.07033	96.8
106.07325	1.4
107.08600	23.3
109.06530	2.7
109.10162	9.5
117.07011	6.7
119.08585	88.2
120.08927	1.5
121.06517	1.0
121.10149	34.3
122.10487	1.0
123.08035	1.3
123.11712	2.9
127.07632	1.1
129.07002	1.7
130.07793	1.3
131.08585	14.1
133.10141	14.2
135.08044	2.5
135.11707	2.4
143.08569	6.9
144.09282	1.6
145.10123	40.1
146.10834	3.0
147.11688	78.3
148.12006	2.5
149.09584	3.4
151.07547	1.2
151.11220	1.2
153.09126	2.5
155.08582	3.4
157.10136	7.1
159.11685	17.1
160.12456	4.4
161.09653	1.2
161.13240	12.8
163.11160	1.4
165.09172	1.4
167.10704	2.7
169.10143	12.0
171.11639	4.0
173.09584	1.9
173.13297	5.7
175.11162	1.4
177.09120	1.3
183.11690	5.7
185.13351	1.1
187.11191	3.3
187.14796	1.2
191.10614	1.2
197.13252	4.5
199.14854	4.7
201.12833	3.9
201.16377	16.4
205.12291	5.0
210.13945	1.1
215.14275	2.3
215.17821	1.8
225.16365	16.4
225.18376	1.5
231.11655	1.0
243.17451	12.9
246.13957	2.5
261.18512	100.0
262.18735	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	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03943	3.5
55.05270	1.2
55.05519	14.8
57.03430	2.4
57.07074	4.5
58.06602	0.7
62.54961	0.9
65.03943	2.0
67.05514	44.4
69.07080	12.1
69.66476	3.1
71.04995	2.9
71.08619	1.0
77.03947	0.8
79.05503	57.9
80.05852	1.0
81.07069	50.4
83.08623	6.9
85.06554	3.9
91.05492	32.3
93.07056	77.3
95.04980	5.4
95.08620	36.4
97.06520	3.6
97.10152	3.4
98.23331	1.1
99.08096	3.6
105.04538	0.8
105.07043	20.0
107.08602	49.2
109.06538	2.3
109.10175	16.1
111.08096	3.1
113.09637	1.2
117.07030	6.9
119.08597	17.0
121.10161	45.4
122.10495	1.0
123.08084	1.9
123.11710	4.8
129.07037	1.2
131.08583	16.1
133.10159	12.6
135.11710	35.2
137.09602	2.0
137.13272	1.2
145.10127	13.3
147.11705	11.2
149.13272	27.7
151.11205	1.4
151.14790	0.9
159.11731	10.8
161.13292	11.1
163.11252	1.0
163.14833	17.5
165.12805	1.1
173.13274	10.0
175.14851	4.4
177.15108	0.8
177.16385	4.4
179.14340	2.0
187.14830	6.6
188.10793	0.9
201.16402	3.3
215.17987	1.7
219.17473	1.1
233.22649	1.6
243.21101	27.9
244.21414	1.2
261.22165	100.0
262.22565	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03707	0.8
53.03937	5.0
55.01874	1.1
55.05512	15.1
57.03421	1.6
57.07082	5.0
65.03936	2.6
67.05508	42.5
69.07073	11.5
69.80937	3.5
71.05000	1.7
71.08633	2.4
79.05495	58.2
80.52789	0.8
81.03416	1.1
81.07060	50.0
83.04967	0.8
83.08613	6.8
84.02331	1.0
85.06551	3.6
91.05486	30.1
92.05814	0.9
93.07045	76.5
95.04963	3.1
95.08609	36.1
97.06535	2.9
97.10159	2.8
99.08112	3.8
105.04511	2.5
105.07037	21.7
106.07324	1.0
107.04927	1.3
107.08598	46.3
108.08867	0.9
109.06527	1.9
109.10165	13.5
111.08086	3.2
117.07033	8.2
119.08584	15.2
121.10146	42.0
122.10433	1.1
123.08053	1.5
123.11752	4.4
129.38628	1.0
131.08577	15.4
133.10129	13.0
135.08073	1.1
135.10658	2.0
135.11694	35.0
137.09618	1.9
137.13237	1.6
145.10124	13.1
147.11681	10.6
149.09686	1.3
149.13260	27.0
151.14790	1.2
159.11697	11.3
161.13261	8.8
163.11156	1.0
163.13542	1.5
163.14821	16.2
165.12733	1.6
173.13258	11.7
175.14870	4.4
177.16432	4.7
179.14369	1.6
187.14832	6.9
189.16466	1.5
201.16406	2.6
205.16083	1.0
215.17981	1.9
218.05180	0.9
233.19020	1.1
233.22548	1.5
243.21097	26.3
261.22147	100.0
262.22534	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	4.5
55.01862	1.6
55.05510	13.5
57.03426	2.2
57.07069	3.7
63.34689	1.1
67.05509	45.6
69.07071	13.0
69.93475	4.9
71.04985	2.0
71.08606	1.5
79.05495	55.3
81.06587	2.6
81.07060	45.1
83.08636	8.8
85.06552	3.4
85.10194	3.5
85.84277	1.4
91.05486	31.7
93.07049	75.2
94.07407	1.4
95.04961	5.4
95.08606	31.7
97.06496	3.6
97.10176	3.0
98.23257	1.8
98.97564	1.7
99.08085	2.4
105.07034	17.3
107.08597	46.5
109.06492	3.9
109.10162	12.2
111.08063	2.8
113.09613	3.2
116.98616	2.1
117.07020	8.8
118.14310	1.4
119.08587	14.1
121.10148	36.6
123.08063	1.8
123.11684	3.4
131.08578	17.0
133.10153	18.7
135.08009	2.9
135.11697	34.7
137.09610	2.0
137.13271	1.6
145.10121	11.4
147.11671	9.0
149.09634	2.8
149.13263	25.9
151.11124	2.2
159.11707	10.5
161.13286	9.7
163.11203	1.6
163.14824	14.6
165.12782	1.5
171.86694	1.6
173.13272	9.6
175.14830	3.7
177.16415	4.0
187.14816	4.3
201.16504	2.7
215.17877	1.8
233.22701	1.8
243.21095	21.6
244.53435	1.5
261.12570	3.4
261.22144	100.0
262.22491	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	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01879	2.4
55.05513	14.9
57.07068	5.4
57.36619	2.0
65.03931	2.2
67.05186	3.0
67.05511	44.1
69.07068	12.5
69.56485	5.5
69.56897	4.1
71.04970	3.8
74.23312	2.0
79.05492	64.5
81.07061	45.6
83.05022	2.4
83.08617	7.0
85.06544	4.5
91.05486	33.1
93.07046	75.5
95.04962	4.9
95.08608	36.2
97.22223	1.8
97.55238	2.1
98.22658	2.2
105.07041	17.8
107.08596	54.6
109.10165	14.6
111.08077	5.8
117.07008	8.0
119.08585	15.5
121.10155	42.5
123.11689	4.6
126.55538	1.8
131.08575	12.6
133.10147	12.2
135.11700	37.0
145.10103	13.0
147.11661	10.8
149.13251	25.8
159.11679	10.8
161.13269	9.0
163.14792	17.4
173.13255	13.9
175.14816	5.1
177.16350	2.5
184.83508	2.0
187.14873	6.6
215.17961	3.1
233.22502	2.9
243.21072	29.3
246.51584	2.0
261.09399	2.5
261.12448	5.1
261.22159	100.0
262.22409	2.6
262.25140	2.5
278.97098	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.18058	1.1
53.03932	4.7
55.05510	17.2
57.03436	1.3
57.07078	6.7
65.03918	2.8
67.05504	53.5
69.03412	1.1
69.07067	13.0
70.59624	2.6
71.04983	2.5
71.08612	4.1
78.78753	1.2
79.05493	83.2
81.03416	1.9
81.07059	57.2
83.04994	1.1
83.08621	9.6
85.06564	5.2
85.10160	1.8
91.05480	40.8
93.07044	100.0
95.04968	7.0
95.08606	39.2
97.06535	5.6
97.10149	3.4
98.97494	1.4
98.98479	1.1
99.08088	4.2
105.04511	1.7
105.07032	28.1
107.08595	61.0
108.08897	1.0
109.06512	2.8
109.10155	15.6
111.08076	3.2
113.09634	2.9
114.99387	1.0
116.98616	1.6
117.07008	8.4
119.06067	1.8
119.08587	18.8
121.10144	45.8
123.08060	1.1
123.11714	3.6
125.09644	1.1
129.06911	1.3
131.08575	24.4
133.10121	13.0
135.08046	1.6
135.11691	36.9
137.09688	1.8
137.13245	2.3
145.10120	19.0
145.25706	1.1
147.11691	12.2
149.09636	3.6
149.12152	2.3
149.13254	26.4
151.14868	2.1
159.11711	10.8
159.92336	1.3
161.13272	11.4
163.11177	1.5
163.14830	17.5
173.13283	12.0
175.14816	6.7
177.12608	1.3
177.16382	5.7
179.14262	1.6
187.14830	8.8
189.16466	1.3
191.14273	1.2
195.47568	1.1
201.16359	2.3
205.15787	1.5
215.17961	1.5
233.22552	3.5
243.21080	31.8
244.21384	1.3
261.12585	2.0
261.22110	94.8
262.22437	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	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.05509	14.3
57.07068	13.7
62.11667	4.4
67.05493	42.7
69.07067	16.0
71.08646	6.6
71.28934	5.4
71.29287	4.6
79.05498	82.5
81.07055	59.2
83.08614	7.5
85.06557	6.0
89.48179	3.6
91.05479	42.7
93.07047	100.0
95.04979	9.0
95.08599	41.1
97.06553	5.0
98.97598	6.5
99.08125	4.7
105.07018	24.9
107.08603	51.8
109.10151	11.2
117.07005	8.8
119.07865	4.0
119.08614	17.7
121.10130	41.3
123.11684	6.1
131.08575	22.9
133.10120	15.2
135.11685	30.8
145.10138	18.6
147.11748	9.7
149.13290	25.1
159.11713	11.3
161.13303	13.4
163.14873	17.1
173.13252	11.6
175.14992	4.8
177.16386	8.3
181.38103	4.9
187.14925	7.4
201.16353	4.6
205.54575	4.3
243.21056	34.9
261.12332	10.6
261.22101	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
56.05043	4.8
57.03437	5.8
58.06603	36.0
67.05505	6.8
69.07076	3.9
69.79366	2.9
70.06586	5.2
71.04995	4.4
71.07368	2.2
72.08153	4.7
72.51205	0.7
79.05498	5.8
81.06590	1.2
81.07056	16.3
82.06575	1.3
83.04974	0.9
83.08610	0.9
84.08146	20.7
85.06569	0.8
88.07645	1.2
91.05491	4.1
93.07052	12.9
95.04967	1.3
95.08614	15.0
96.08140	2.9
96.08900	0.5
97.06520	3.0
98.06015	0.7
98.09692	3.8
105.07040	2.0
107.08588	4.2
109.06509	1.0
109.10152	1.9
110.09680	1.2
111.08075	1.5
112.11250	1.3
117.07042	1.5
119.08578	3.0
121.10142	3.5
123.08068	2.4
124.11211	1.4
131.08560	1.2
133.10146	1.6
135.08037	2.1
135.11694	6.8
149.13231	2.1
159.11716	2.5
177.12750	4.3
195.13811	1.4
208.16943	7.8
226.18024	51.9
227.18430	0.8
244.19080	44.3
245.19536	1.3
260.22806	0.7
260.65140	0.6
262.20142	100.0
263.20462	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	262.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92695	0.4
51.93133	0.4
55.05507	1.3
56.05031	0.6
56.35715	0.4
57.03441	5.8
58.06363	0.5
58.06604	6.9
59.43700	0.4
60.04517	0.6
62.81047	0.5
67.05493	1.8
69.07066	1.5
69.71181	1.7
70.06589	3.2
71.04987	0.8
71.07359	0.9
72.08154	19.2
75.66481	0.4
79.05492	4.5
81.07057	7.0
83.04965	0.8
84.08145	3.9
85.02902	1.1
85.06545	0.9
85.08916	4.2
86.09683	1.8
91.05457	1.1
93.07046	5.1
95.08605	1.9
96.08100	0.9
97.06511	1.2
98.09684	6.5
101.71458	0.4
104.99240	1.2
105.07014	1.0
107.08579	2.2
109.06493	0.9
112.11224	1.4
119.08580	1.9
121.06522	0.9
121.10133	5.8
125.09656	0.5
135.11684	3.1
145.10179	2.0
158.09192	0.5
158.21854	0.4
163.11195	4.8
164.50462	0.4
175.11937	0.5
181.12259	1.3
226.18004	10.4
227.18311	0.6
233.19073	0.6
244.19087	40.1
245.19426	1.6
262.20132	100.0
263.20438	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49570	1.4
70.79889	2.7
82.16366	1.4
82.99845	3.3
84.08109	1.8
101.00362	0.7
101.00874	29.1
113.00872	9.1
119.01926	29.7
120.01984	1.2
131.01901	23.0
137.02899	2.3
143.01884	53.8
144.02002	2.0
149.02931	2.2
155.01888	13.4
157.03458	2.0
161.02948	100.0
162.03064	3.8
167.01901	1.7
173.02951	31.9
179.03996	2.4
185.02921	5.2
191.03986	18.3
203.04007	16.2
215.04028	1.5
221.05077	2.9
233.05055	2.1
263.01736	5.4
263.03281	1.2
263.06042	15.7
282.23383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.4
56.05017	0.5
56.96558	1.3
60.95856	0.4
69.03432	0.5
69.39724	1.0
69.40156	1.7
70.06583	1.5
70.99849	0.5
72.08149	1.6
74.32217	0.4
78.16100	0.4
82.99814	3.2
84.00665	0.3
84.04491	0.7
84.08150	2.1
85.02902	0.9
86.09703	2.2
86.99341	0.6
97.02889	1.2
98.22673	0.7
98.97598	2.1
101.00884	28.5
102.00941	1.2
102.96870	2.7
103.01362	0.4
105.00350	0.4
110.07166	1.0
112.28432	0.4
113.00875	9.5
115.02406	0.5
116.98621	1.4
119.01924	33.4
119.99703	0.3
120.02049	1.3
120.97892	1.1
121.01669	0.8
131.01910	21.9
132.02042	0.7
133.03471	0.8
134.99663	0.4
137.02975	2.3
143.01898	43.1
144.02020	1.5
145.03461	1.6
149.02954	2.9
155.01903	12.4
157.03464	2.0
159.01385	0.5
161.02957	100.0
162.03065	4.1
167.01918	1.3
173.02965	32.0
174.03183	1.1
175.04434	0.8
179.00677	1.9
179.03946	2.0
184.04535	1.1
185.02959	5.9
191.04015	20.5
192.04163	1.0
192.35913	0.4
197.02985	2.0
203.01016	0.6
203.02177	0.8
203.04001	14.7
209.05098	0.6
214.05667	0.5
215.04050	1.0
221.01730	2.4
221.05025	3.1
227.00702	0.5
233.05043	1.8
239.05984	1.1
244.19185	0.7
245.01888	1.2
251.07736	0.6
262.99051	1.0
263.02914	13.7
263.06131	18.5
264.03088	1.1
264.21909	0.4
268.43158	0.4
281.00266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45477	0.6
52.30242	0.6
69.34711	2.6
69.35122	0.8
70.63873	0.5
73.02927	0.7
82.99828	3.5
85.02932	0.5
89.00941	0.7
94.99799	1.0
97.02885	0.8
98.22668	0.7
101.00887	32.0
102.00958	0.8
113.00871	9.0
115.02396	0.9
119.01926	28.7
120.02020	0.7
131.01912	19.2
133.03456	0.8
137.02956	2.1
139.02367	0.7
143.01904	52.9
144.02029	2.1
145.03477	1.6
149.02965	2.0
155.01909	13.6
157.03491	1.3
161.02963	100.0
162.03114	4.4
167.01921	1.6
173.02969	30.8
174.03110	1.8
175.04544	0.6
179.04042	2.3
184.04622	1.1
185.02965	4.1
191.04015	18.7
197.02921	1.4
203.04022	20.3
204.04179	0.7
212.47101	0.5
215.03958	1.0
221.05077	4.2
233.05019	1.7
239.06042	1.1
244.19034	1.0
262.20181	0.9
263.06122	23.6
263.20410	1.0
264.06342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1386
Annotation	H-Pro-Phe-OH
Peak:m/z	Relative Intensity
56.05025	0.2
61.01142	0.3
68.05021	0.5
69.07068	0.8
69.23067	1.5
70.06593	100.0
71.06933	0.8
72.08160	0.3
73.08516	0.2
84.08155	0.6
86.09706	18.7
91.05498	0.4
98.22588	0.4
104.05349	0.6
110.07191	0.4
120.08106	2.2
130.06560	0.5
133.03191	0.6
133.08476	0.4
143.01927	0.2
144.08069	0.4
145.08427	0.6
150.05818	2.3
157.98166	0.2
160.09534	0.7
161.02928	0.5
166.08675	0.8
169.13509	0.3
171.06392	0.4
175.08652	0.2
207.68887	0.2
217.13455	0.5
235.10881	0.3
245.19429	0.2
246.09644	1.2
246.11746	0.2
263.13934	10.0
263.20410	0.7
264.14197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
50.36606	0.3
57.94655	0.3
66.29984	0.3
69.60567	1.4
70.06592	37.3
70.41589	0.3
71.06910	0.5
91.05456	0.9
93.07047	2.6
103.05464	8.3
104.99281	1.6
116.07091	78.5
117.07483	0.5
120.08104	100.0
121.08446	2.1
131.05028	0.3
133.50504	0.3
149.81422	0.3
150.68790	0.3
167.12273	0.3
204.76131	0.3
262.07828	0.3
263.13876	9.2
263.75153	0.4
264.14102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.7
55.66777	0.7
55.75534	0.7
56.05035	18.2
57.05813	1.4
61.01146	10.3
64.35357	0.8
70.06593	61.3
70.44319	1.9
72.08154	100.0
73.08494	1.0
75.75600	0.8
84.04498	1.5
84.08150	1.3
86.09711	5.0
87.02689	2.5
88.03989	2.7
91.05476	1.7
93.07048	2.0
103.05462	6.8
104.04611	1.0
104.05327	37.6
116.07090	73.4
120.08102	96.8
121.08427	3.0
136.07576	1.4
144.06538	2.2
147.04750	19.6
155.11775	2.5
164.07399	64.8
165.07713	1.1
203.12154	2.6
215.13951	2.1
217.06866	1.0
250.64696	0.8
263.14001	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	263.1424
Annotation	Met Leu
Peak:m/z	Relative Intensity
54.57541	0.4
56.05035	73.2
57.05371	0.7
61.01149	47.5
69.49063	2.5
70.06586	1.4
71.08619	0.4
73.37959	0.4
74.06084	6.0
84.04502	1.6
85.04034	0.7
86.06039	0.5
86.09703	11.5
92.73883	0.5
94.67378	0.4
104.05325	100.0
105.05640	0.9
113.10763	1.4
116.07127	0.7
118.06513	0.4
120.08081	1.2
128.80173	0.4
132.06543	0.6
132.08066	1.9
132.10213	4.6
141.10219	2.2
144.08009	0.5
146.05997	1.6
166.49832	0.6
169.13356	2.0
172.11496	2.0
188.07056	1.6
198.11240	1.4
215.13864	6.7
217.13666	3.2
246.11394	0.9
263.14224	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	263.1426
Annotation	Leu Met
Peak:m/z	Relative Intensity
54.27047	0.3
55.22808	0.3
56.05035	1.5
57.05803	0.4
58.06580	0.8
61.01138	0.8
65.76219	0.3
69.07068	12.2
69.75403	1.0
69.75816	0.4
70.02930	0.3
70.06593	13.4
72.08144	0.3
80.87232	0.3
84.04493	0.5
86.09705	100.0
87.10040	0.8
91.05489	0.8
102.05563	0.5
104.05330	3.2
104.99303	0.3
120.08100	1.4
130.04990	0.5
133.03201	2.3
143.01921	0.4
150.05841	8.9
152.11092	0.3
161.02942	0.6
169.13361	0.7
172.07558	0.3
172.11621	0.3
175.08650	0.5
188.07066	0.3
200.07019	0.6
207.03326	0.3
215.13898	0.5
217.13779	0.6
263.14200	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	263.2005
Annotation	[4aS-(4aalpha,4bbeta,6alpha,8aalpha)]-3,4,4a,4b,5,6,7,8,8a,9-Decahydro-6-hydroxy-4b,8,8-trimethyl-2(1H)-phenanthrenone
Peak:m/z	Relative Intensity
53.03944	3.5
54.04531	2.7
55.05510	10.9
57.03425	3.5
57.07067	3.1
59.04992	5.7
67.05505	12.8
69.07067	13.5
69.08867	9.1
69.09286	19.9
70.06605	6.6
71.04987	10.9
79.05499	24.3
80.58190	2.9
81.07053	35.9
83.04986	6.9
83.08623	6.4
85.06532	7.7
90.84885	3.0
91.05476	23.7
93.07042	46.3
95.04951	4.0
95.08608	46.4
97.06519	12.9
104.99276	41.4
105.07030	36.1
107.08585	38.2
109.06529	6.6
109.10146	25.1
111.08082	68.2
111.08846	4.2
116.07031	3.0
117.07035	10.6
118.86939	2.9
119.08572	41.1
121.06522	3.2
121.10149	27.0
123.08047	18.3
123.11666	6.2
125.09601	3.7
129.07005	11.9
131.08574	39.8
133.10141	38.7
135.08054	5.2
135.11684	7.4
137.09612	12.9
139.11188	4.5
143.08588	14.6
145.10121	54.8
147.11687	29.1
149.09557	4.1
149.13232	6.0
151.11079	3.3
157.10146	13.6
159.11749	24.6
161.02959	5.7
161.13260	9.4
163.11113	5.0
171.11696	26.0
173.13280	11.4
175.11198	4.7
179.12196	3.3
185.13287	24.6
187.14809	100.0
188.15160	4.2
189.12680	5.3
199.14871	4.7
201.16405	11.8
202.78787	3.4
203.17955	5.3
205.15869	41.5
210.54298	3.7
217.15976	4.1
217.19577	7.0
227.17906	53.1
227.66885	3.8
245.19022	71.2
263.16748	6.7
263.20074	99.8
263.24069	7.7
264.12286	4.1
266.23822	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	263.2004
Annotation	[4aS-(4aalpha,4bbeta,6alpha,8aalpha)]-3,4,4a,4b,5,6,7,8,8a,9-Decahydro-6-hydroxy-4b,8,8-trimethyl-2(1H)-phenanthrenone
Peak:m/z	Relative Intensity
55.05496	17.1
57.07092	15.2
67.05521	38.1
69.07072	18.6
71.04996	10.0
79.05487	28.4
81.07072	55.9
81.56059	7.6
83.04985	9.1
83.08615	9.5
85.06547	11.1
91.05481	24.4
93.07046	56.5
95.05018	7.2
95.08611	59.6
97.06536	16.9
98.23457	14.9
99.08128	6.8
104.99267	100.0
105.07050	46.4
107.08619	43.5
109.06587	8.6
109.10162	23.5
111.08088	62.6
117.06995	12.0
119.08595	50.6
121.10168	18.7
123.08046	17.7
129.07063	14.8
131.08574	38.0
133.10130	35.0
135.11688	9.7
137.09659	11.7
143.08546	19.0
145.10118	48.2
147.11693	27.4
149.09579	9.3
149.13246	12.0
151.11186	10.0
155.01793	7.7
157.10147	14.6
159.11690	17.1
161.03015	19.8
161.13255	10.1
164.92169	7.4
171.11681	28.7
173.13245	11.6
185.13281	21.8
187.14821	89.8
189.12708	11.5
201.16423	10.9
205.15907	31.5
207.11757	7.8
209.84436	7.8
215.45293	7.8
217.19591	9.4
221.13226	9.2
227.18004	56.0
233.13435	7.9
245.19048	77.1
245.22729	8.1
263.18008	14.8
263.20135	75.2
263.23660	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01850	0.9
55.05510	15.2
57.03427	2.7
57.06828	1.1
57.07076	11.9
58.51743	0.8
64.83241	0.7
65.03944	2.7
67.05506	90.3
68.05823	1.4
69.06730	1.2
69.07069	15.8
69.20684	1.5
69.21090	5.0
71.04996	1.6
71.08635	6.2
79.05493	22.1
81.07056	100.0
82.07372	1.8
83.04958	1.7
83.08620	13.3
85.06552	3.8
85.10166	4.3
91.04893	1.1
91.05477	16.0
93.07046	22.1
93.44388	0.8
95.04956	1.9
95.08606	83.9
96.08913	2.3
97.06512	6.6
97.10165	5.5
99.08109	6.1
105.07030	11.7
107.08604	12.3
109.06492	1.6
109.10154	42.3
111.08096	5.7
111.11741	1.4
113.09631	3.1
119.08568	9.1
121.10139	17.2
123.08067	3.3
123.11716	18.2
125.09644	1.3
127.11204	2.0
133.10124	14.2
135.11688	7.6
137.09627	2.4
137.13252	8.2
139.11154	1.0
141.12698	1.7
142.70775	0.9
147.11679	11.1
149.13246	8.1
151.14816	7.4
155.14308	0.9
161.13245	7.7
163.14818	5.7
165.16393	7.4
175.14798	6.3
177.16406	2.2
179.17937	2.6
181.15942	1.4
189.16379	4.1
203.18019	1.1
217.19640	1.3
245.22643	23.6
245.25188	1.6
263.23700	62.4
264.24033	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.6
54.54257	0.5
55.01875	0.5
55.05515	15.8
57.03428	1.3
57.07079	11.0
62.95223	0.5
65.03940	2.0
65.75158	0.5
67.05508	94.7
68.05834	1.2
69.07073	15.4
69.55637	0.9
69.56046	1.7
71.04993	1.7
71.08630	6.9
79.05497	23.5
80.05807	0.6
81.07061	100.0
82.07397	1.8
82.96909	0.6
83.04983	2.5
83.08623	14.5
83.94709	0.6
85.06546	4.4
85.10183	2.5
89.35352	0.6
91.05482	17.3
93.07050	25.0
95.04971	1.6
95.08610	84.4
96.08952	1.6
97.06540	6.5
97.10179	7.1
98.22662	1.2
99.08094	5.9
104.99272	1.7
105.07033	11.7
107.08598	12.2
109.06503	1.6
109.10160	43.8
110.32240	0.6
111.08083	4.4
111.11729	1.4
113.09651	4.1
115.32426	0.5
119.08591	13.1
119.09431	1.2
121.10143	14.2
123.08071	2.5
123.11714	18.3
125.09617	1.0
127.11208	1.1
131.08554	0.5
133.10138	13.2
135.11687	8.3
137.09630	3.1
137.13246	7.7
138.08205	0.6
139.11139	0.7
141.12761	2.1
145.10121	0.7
147.11691	9.7
149.13263	8.0
151.11185	1.5
151.14798	8.2
155.14339	1.0
161.13272	9.6
163.14818	7.4
165.12779	1.3
165.16389	8.1
166.58589	0.6
167.14284	0.8
175.14792	6.5
177.16405	2.1
179.17924	3.6
181.15825	1.9
189.16411	4.0
203.17957	1.2
205.19620	0.6
215.25240	0.5
217.19536	1.7
219.21013	1.0
221.18774	0.6
245.22656	28.9
246.22952	1.1
263.23715	72.7
264.24149	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	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	0.6
55.05511	15.2
57.03436	1.7
57.06796	0.6
57.07075	10.3
65.03951	2.2
66.04686	0.6
67.05505	88.0
67.41232	0.5
68.05846	1.0
69.07070	16.4
70.08093	1.1
71.04993	1.9
71.08632	5.8
77.03907	0.6
79.05495	22.3
81.07058	100.0
82.07401	1.1
83.04983	1.7
83.08621	13.1
85.06554	3.7
85.10182	2.3
91.05479	17.0
93.07043	22.4
95.04986	2.0
95.08607	83.8
96.08934	1.4
97.06538	7.4
97.10165	6.8
99.08086	5.1
104.99256	2.8
105.04515	0.4
105.07025	10.0
105.07672	0.8
107.08589	12.9
108.08879	0.4
109.06557	1.4
109.10155	43.7
110.10509	1.1
111.08083	4.7
111.11749	1.1
113.09650	3.3
119.07773	0.9
119.08579	11.7
121.10149	16.1
123.08089	2.7
123.11710	17.5
124.12070	0.8
125.09643	1.5
127.11176	1.4
131.08612	0.6
133.10132	13.2
135.11702	8.2
137.09593	1.8
137.13249	7.4
139.11128	0.5
141.12665	2.2
147.11684	9.7
149.12154	0.7
149.13261	7.9
151.11139	1.0
151.14819	8.1
155.14400	0.9
161.13254	10.2
163.14813	7.0
164.15195	0.6
165.12732	0.9
165.16382	7.4
167.14337	1.0
175.14818	7.0
177.16386	1.6
179.17932	3.0
181.15837	1.5
189.16373	3.4
191.17921	0.7
193.15900	0.6
203.17926	1.4
205.19556	0.5
211.17831	0.4
217.19469	1.4
245.22652	27.2
246.22993	1.7
263.23700	64.4
264.24100	3.5
266.96542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03945	2.7
55.01871	1.5
55.05516	18.1
57.03432	1.6
57.07083	12.3
67.05512	87.0
69.07079	17.2
71.08629	4.8
76.09357	1.3
79.05078	1.5
79.05502	25.1
81.07066	100.0
83.04991	2.4
83.08621	14.7
85.06541	4.6
85.10201	2.5
91.05481	18.7
93.07056	25.9
95.04984	3.0
95.08613	83.8
96.08964	1.3
97.06524	9.7
97.10178	6.7
98.22462	2.2
99.08083	6.8
105.07037	11.5
107.08594	13.2
109.06529	2.8
109.10168	42.8
111.08099	6.4
111.11736	1.6
113.09654	3.6
119.08592	13.4
121.10152	17.7
121.73249	1.2
123.08077	4.7
123.11712	18.8
131.49036	1.2
133.10141	15.1
135.11722	8.8
137.09622	4.0
137.13304	7.6
141.12784	1.4
147.11737	9.5
147.34441	1.2
149.13312	7.7
151.11137	1.2
151.14856	7.6
152.79430	1.4
155.14288	1.3
161.13261	9.2
163.14835	6.8
165.16451	8.0
175.14836	8.5
177.16333	2.3
179.18019	2.3
181.15808	1.7
189.16406	3.5
219.21245	1.5
245.22682	26.4
263.23734	78.9
264.24124	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	264.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03106	0.4
51.17464	0.4
54.30671	0.5
56.96564	100.0
61.01120	0.4
67.98157	0.8
69.09710	3.1
69.10113	0.8
70.06586	0.5
71.95258	2.8
72.08142	0.9
72.96038	5.0
74.97603	1.1
76.99545	0.4
83.97621	3.9
84.96030	0.7
89.60127	0.4
94.28992	0.5
98.97582	17.2
116.98618	6.7
122.07138	1.9
134.99654	1.5
144.04855	0.5
144.96800	1.6
149.02693	1.3
163.00690	1.8
165.02243	4.1
166.05286	0.6
167.03827	1.5
176.03825	15.4
177.02261	0.6
177.04172	0.6
178.05389	9.9
179.00159	1.3
181.01726	1.7
183.03287	7.0
185.01180	0.6
186.02162	1.0
190.01744	2.9
192.03319	2.7
194.04898	4.9
196.06471	6.0
197.01241	1.8
201.04340	4.2
204.03325	10.4
207.95763	0.6
208.02812	7.9
210.04378	1.2
216.57610	0.5
219.03412	0.6
222.04367	73.4
223.01462	0.7
223.04614	2.3
226.03816	3.6
233.91400	0.7
240.05426	56.8
241.05757	1.0
245.06023	1.1
264.05432	16.6
265.05814	0.5
282.06506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.6
56.96567	1.0
57.03428	0.9
69.96512	2.2
70.06602	0.9
72.08147	2.5
74.39905	0.6
81.04543	1.0
82.99820	4.0
85.02885	1.0
91.05484	9.9
97.02895	0.9
98.23306	0.8
98.97577	1.2
100.02530	0.6
101.00882	42.4
102.00974	2.4
102.96950	0.6
103.00646	0.6
104.05293	1.0
107.04941	1.9
114.00941	0.7
116.20042	0.6
116.98572	0.9
118.03532	3.9
118.06482	0.8
119.01923	100.0
119.04921	12.7
120.02010	4.9
121.01651	1.1
122.07146	5.6
124.47013	0.6
127.03966	0.6
131.01903	0.7
132.02045	0.9
136.04578	0.8
136.07576	13.1
137.02957	24.4
138.03139	0.9
142.03485	1.4
143.01906	1.4
144.02084	4.0
144.04761	1.5
145.01701	0.7
147.04410	4.8
155.02031	0.8
156.02124	1.0
161.02948	2.5
161.04411	1.1
162.03046	5.6
163.02643	1.2
165.03983	1.4
168.02654	1.1
174.03104	2.1
176.05612	1.0
177.03966	0.7
179.05501	5.6
181.03467	1.6
183.05077	0.7
184.50789	0.6
185.02998	0.9
191.04028	0.6
192.04192	0.9
193.03510	0.7
194.04282	2.6
194.06636	2.5
195.05014	1.9
197.06551	4.7
199.04599	0.5
201.04126	0.7
203.05595	1.8
205.03624	0.7
207.05032	1.7
212.05363	1.0
218.06638	2.3
219.04999	8.7
221.06592	29.2
221.08760	1.4
222.06306	2.3
223.04578	0.7
233.49239	0.6
235.04559	1.9
236.07756	1.0
237.06094	14.8
239.07655	16.7
240.07663	0.9
245.04980	1.1
247.04533	13.0
253.05588	3.4
255.07173	2.1
264.03174	4.1
264.07166	16.5
264.18103	2.7
264.21600	1.1
265.05548	29.3
266.05865	1.7
282.08212	9.0
283.06580	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	264.9512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68994	0.7
55.01880	0.8
56.05034	2.6
57.03431	1.1
61.01152	1.3
69.01794	6.1
69.03433	1.1
70.06599	1.3
70.51760	0.8
70.88474	0.7
72.08157	5.6
73.02926	1.6
82.99868	0.7
84.08148	0.8
84.99622	2.5
85.02911	3.3
94.93024	12.6
97.02907	3.0
97.67224	0.6
98.23351	2.1
101.00875	6.5
102.01006	2.6
103.00636	27.9
104.05350	3.2
104.10751	10.2
107.00132	0.8
113.00883	1.0
115.00625	7.9
119.01936	7.2
120.02008	4.0
121.01672	36.4
131.01907	3.4
132.02049	1.5
133.01648	19.5
135.43304	0.7
137.02910	1.0
138.20680	0.7
139.02654	3.7
143.01889	4.7
144.02112	2.9
145.01620	42.5
146.02084	0.9
147.03195	1.8
151.02713	2.7
153.04013	0.8
155.01877	1.2
156.01976	1.2
157.01628	10.2
157.03494	1.8
159.03246	2.2
161.02995	8.3
162.03056	5.4
163.02675	100.0
169.01675	1.0
173.02988	2.1
174.03107	2.0
175.02681	29.1
181.03773	3.0
186.04309	1.7
187.02646	4.8
191.03993	0.8
192.04234	1.0
193.03748	20.3
202.95192	1.2
203.04131	1.2
205.03778	18.5
217.03889	1.2
220.96179	7.5
221.05034	0.9
223.04764	4.2
223.06828	0.8
235.04965	1.4
241.05847	0.9
246.05135	0.7
246.17180	0.8
247.04970	1.0
261.03137	1.0
264.18097	4.1
264.95105	3.0
265.03458	2.5
265.05746	19.0
265.18594	1.6
265.97891	0.9
266.05988	1.0
266.16019	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05514	5.2
57.03431	9.4
58.19096	3.2
58.57154	2.8
61.02898	3.2
67.05483	4.8
69.03441	7.0
70.06592	5.1
70.71046	7.1
71.05006	4.3
72.08168	13.8
79.05482	7.0
81.03419	6.8
81.04546	6.6
81.07047	6.4
85.02909	29.5
91.05467	15.7
93.07025	6.5
95.04968	6.2
95.08585	4.2
97.02867	5.0
103.05467	9.7
105.07026	7.8
107.04969	4.6
107.08614	5.1
115.05450	32.8
117.07024	46.0
119.08549	6.3
120.08095	12.7
120.08945	2.3
122.07152	50.0
127.03871	5.1
128.06206	4.7
129.07063	6.9
131.08568	4.5
133.10172	4.2
135.04442	3.3
141.07010	3.9
143.04892	4.5
144.04782	13.5
144.05748	6.9
145.06483	85.9
147.08075	9.5
155.06061	17.1
156.05693	20.3
156.44124	2.9
157.06505	4.0
159.08099	9.1
160.05193	3.5
161.05948	5.4
163.03874	11.8
167.07118	3.3
173.05988	100.0
175.07542	6.2
177.09138	3.1
187.07532	9.9
187.11116	4.0
190.06224	40.9
191.07054	3.5
193.08554	3.6
197.99570	2.8
201.12825	3.1
202.06277	5.7
203.06946	13.5
205.08594	62.4
217.08597	50.9
219.10181	3.8
235.09721	5.9
247.09700	5.9
265.10950	5.6
265.14011	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01870	1.7
55.05509	12.7
57.03413	1.6
65.03934	3.2
67.05501	8.8
69.03425	2.3
69.07063	5.9
71.05002	2.0
72.08145	1.2
79.05490	11.5
81.04545	5.1
81.07057	14.1
83.04958	2.0
83.08625	1.4
85.06555	2.2
91.05480	54.4
93.07054	8.5
95.04955	6.8
95.08599	7.5
97.06543	3.2
98.23405	4.2
103.05468	6.1
105.03380	3.0
105.07037	27.7
107.04947	7.6
107.08585	6.1
109.06525	4.7
109.10150	5.6
111.04456	1.3
111.08119	1.7
115.05457	4.2
116.06230	5.4
117.07030	5.4
119.04945	42.9
119.08584	8.7
120.08102	2.5
121.06503	13.3
121.10174	2.3
122.07143	23.0
123.04439	1.7
123.11721	2.8
129.07004	6.4
131.04976	2.6
131.08566	64.8
132.08966	1.7
133.02829	3.7
133.06511	8.4
133.10121	9.0
134.03651	1.4
135.04414	10.8
135.08035	3.0
137.06004	4.0
141.07024	3.4
142.07727	1.7
143.08562	3.2
144.04767	5.3
144.05753	3.0
145.06474	6.2
145.10199	2.2
147.04417	3.9
147.11752	2.1
149.05981	47.7
149.09637	4.2
151.03862	1.9
151.11151	1.9
156.54945	1.5
159.04378	2.3
159.08054	25.3
159.11671	2.1
161.02348	2.9
161.09619	16.0
163.03932	8.8
163.07558	2.2
163.11195	4.0
165.05524	8.2
175.04019	1.3
175.11142	4.0
177.05466	39.8
177.09100	21.1
179.03426	4.8
187.07529	22.3
187.14713	1.3
189.09129	3.6
191.10628	10.7
193.04933	2.6
195.06532	55.5
205.04958	16.6
205.08601	27.3
215.07076	5.7
218.08139	2.1
219.10158	100.0
220.10400	2.9
225.84915	1.2
233.08104	6.9
237.11246	19.1
265.10489	6.2
265.13589	5.3
265.21866	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
55.05502	3.9
65.03939	1.6
67.05511	7.2
67.39030	1.5
69.03427	3.7
69.07070	2.2
71.28733	2.6
72.08160	2.1
79.05507	8.4
81.04537	12.7
81.07071	7.1
83.04981	3.3
84.08167	2.2
91.05488	10.9
93.07031	10.9
94.30107	1.6
95.04977	20.5
95.08604	7.7
103.05489	2.7
105.07030	31.4
105.07685	3.1
107.08591	4.7
109.06522	5.1
111.04447	47.0
111.08122	2.4
117.07026	8.9
119.08591	24.3
120.08131	2.3
121.06535	8.9
121.10144	3.6
122.07155	66.2
128.06224	2.9
129.07025	7.1
130.07748	3.3
131.04880	1.8
131.08563	19.8
133.06497	16.8
133.10130	5.2
135.08069	3.9
137.09636	2.0
141.06992	4.8
142.07759	3.3
143.08542	6.9
144.04776	19.9
144.09328	3.5
145.06503	6.8
145.10115	17.3
147.08051	28.1
149.05922	2.1
149.09625	3.0
155.08607	2.4
155.10684	8.2
157.10133	5.2
158.07274	10.5
159.08067	24.1
159.11705	19.4
161.09613	6.7
165.09152	2.2
168.09317	2.2
169.10091	1.9
171.08073	2.8
172.08846	6.0
173.09558	4.5
173.13293	6.1
175.07542	33.2
183.11702	5.2
185.09639	2.1
185.13289	2.3
187.11188	15.6
189.09100	8.1
193.08621	60.0
193.10144	3.2
194.08946	2.0
196.08829	3.2
201.12798	5.1
207.10185	2.9
211.11160	9.5
219.13863	3.0
229.12184	7.4
247.13332	11.3
265.08542	4.0
265.14352	100.0
266.14600	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	265.1433
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
55.01852	2.4
55.05511	10.5
65.03935	2.2
67.05515	8.0
69.03425	4.2
69.34735	6.6
70.06573	2.7
70.64031	1.5
72.08154	36.3
79.05481	10.4
79.95255	1.6
81.04520	3.3
81.07056	8.4
83.04978	4.0
84.08111	1.7
85.06538	2.2
86.09739	1.7
87.75973	1.5
91.05474	18.5
93.07035	12.2
95.04967	22.0
95.08600	6.6
97.06519	2.2
103.05447	3.5
105.07024	39.8
107.04943	2.7
107.08592	5.5
109.06496	8.3
111.04437	55.6
111.08062	2.1
115.05455	2.7
117.07050	7.7
119.04927	1.8
119.08577	28.2
120.07236	2.1
120.08100	40.4
120.08923	2.9
121.06492	9.8
121.10130	3.8
122.07153	16.3
123.08059	1.7
128.06238	4.4
129.06996	9.2
130.07745	4.0
131.08563	23.6
132.05714	2.0
133.06488	25.0
133.10124	5.8
135.08029	7.1
136.06177	3.0
136.07561	3.6
137.09624	1.9
141.06989	5.7
142.07716	3.4
143.08536	8.5
144.04794	4.4
144.05792	2.3
144.09322	5.5
145.06485	9.8
145.10130	22.1
147.08041	36.5
147.11627	2.3
149.06000	4.1
149.09605	3.0
154.07739	2.1
155.08528	4.0
155.10632	7.7
157.06517	4.1
157.10121	5.1
158.07253	12.9
159.08054	25.0
159.11671	24.5
161.09666	7.3
163.07567	2.5
166.08644	3.1
168.09291	2.3
169.10080	3.4
171.07962	2.6
172.08795	9.3
173.09621	2.6
173.13258	5.4
175.07553	37.7
177.12802	1.8
183.11655	5.7
185.09593	2.1
187.11176	19.7
189.09108	11.2
193.08586	55.6
193.09955	2.8
196.08817	5.5
201.12735	8.9
205.12280	3.9
207.10117	2.1
211.11142	5.6
219.13664	2.0
229.12218	11.2
247.13237	13.3
265.04974	3.0
265.08517	3.5
265.14328	100.0
266.14670	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01870	1.6
55.05503	2.0
65.03934	3.2
67.05512	7.4
67.77246	1.3
69.03432	7.2
69.07079	1.9
70.06589	2.8
71.02280	2.2
71.05003	2.2
72.08143	4.6
79.05482	5.0
80.05019	2.1
81.04532	15.5
81.07059	3.4
83.05000	2.7
84.04568	1.4
84.08147	2.6
86.09710	3.3
91.05489	11.9
93.07053	10.2
95.04964	8.2
95.08608	3.5
99.04481	2.4
105.07036	15.9
107.04946	1.7
107.08595	4.9
109.06532	5.0
109.10153	1.5
111.04453	6.8
111.08111	1.8
113.06014	2.3
116.06226	1.7
117.07031	4.5
119.08590	18.7
120.08105	15.7
121.02856	2.4
121.06514	11.7
121.10145	3.2
122.07153	100.0
123.08076	5.3
126.03777	1.4
128.06255	1.8
129.07010	3.3
131.08583	6.7
133.06503	2.0
133.10121	4.4
135.08066	17.6
137.09628	2.3
139.03911	2.8
141.06984	1.5
142.07802	2.1
143.08542	4.3
144.04785	28.6
144.09351	1.9
145.02872	1.7
145.06427	2.6
145.10149	5.6
147.08070	10.3
147.11722	3.5
149.05966	1.6
149.09575	1.4
156.09392	2.3
157.10149	3.9
158.07269	5.4
159.08044	8.6
159.11732	10.6
161.09618	6.5
165.09142	5.8
171.11662	1.6
172.08855	3.9
173.09654	5.9
173.13271	3.7
175.07567	13.2
175.11171	7.2
177.05518	4.5
183.11737	3.4
187.11143	8.4
189.09120	2.1
189.12880	2.2
193.08601	5.3
193.10161	1.9
199.11165	2.5
201.12767	6.4
203.10704	8.5
205.12303	2.1
211.11201	3.4
217.12317	5.1
218.25443	1.3
229.12325	5.2
235.13385	1.4
247.13229	8.4
265.15002	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1546
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03932	0.6
55.05243	0.6
55.05511	11.9
56.05043	0.5
57.05820	1.8
57.66122	0.2
64.98427	0.2
69.34016	0.5
69.34420	1.2
72.08153	100.0
73.08490	0.9
103.05438	0.3
120.08100	15.1
121.08440	0.5
131.04924	0.5
155.91490	0.2
166.08626	10.5
167.08939	0.4
219.14891	0.4
231.35561	0.3
232.84320	0.3
237.96350	0.2
265.15488	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	265.1548
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
53.03949	0.2
55.05500	0.4
59.80896	0.2
61.02251	0.2
61.88764	0.1
66.37852	0.2
69.04733	1.4
72.08158	4.9
74.06081	0.2
77.03916	0.2
86.50877	0.2
90.72291	0.2
91.05479	0.6
93.07047	1.7
103.04788	0.4
103.05475	6.1
111.25027	0.2
118.08645	1.9
120.08109	100.0
121.08434	1.6
122.07173	0.2
136.07587	0.3
219.14961	1.5
247.56047	0.2
251.25620	0.2
265.15488	2.9
285.23706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2529
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03945	2.3
55.01889	2.0
55.05514	63.1
57.03437	4.3
57.07083	24.7
59.04995	1.8
65.03967	1.7
65.76381	1.5
67.05511	60.2
69.07076	75.8
71.04976	2.9
71.08633	13.4
71.29858	2.1
79.05497	30.4
81.04529	2.8
81.06588	3.5
81.07066	67.9
82.07357	2.8
83.04958	2.6
83.08624	64.4
85.06547	3.3
85.10191	7.3
87.87379	1.7
91.05486	5.8
93.07050	37.3
95.05009	2.1
95.08614	68.2
97.06541	18.1
97.10179	36.9
99.08076	4.2
107.08599	24.8
109.09445	3.2
109.10164	33.6
111.08100	13.7
111.11716	15.7
120.38219	1.6
121.10157	54.7
122.07164	17.4
123.11699	12.4
125.09632	3.8
135.11691	42.9
137.13268	7.6
139.11188	4.2
144.04776	5.3
149.13281	18.5
151.14841	5.7
153.12770	3.0
153.48717	1.9
163.14772	9.4
165.16406	6.2
177.16432	3.8
191.17950	3.4
247.24234	43.3
265.25278	100.0
266.25641	3.5
269.16608	1.7
276.02618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03941	5.2
55.05513	67.5
56.05817	1.5
57.03438	3.6
57.07076	27.2
59.04951	1.6
65.03958	1.9
67.05507	58.9
69.07072	92.4
71.04984	4.3
71.08632	9.6
79.05495	36.1
79.05857	0.9
79.05956	1.6
81.04520	2.1
81.07059	77.9
83.04986	1.9
83.08624	65.8
85.06535	4.7
85.10178	7.1
91.05467	5.8
93.07047	40.8
95.08607	67.2
97.06529	22.2
97.10175	40.1
98.23354	4.6
99.08092	2.7
107.08596	26.5
109.10160	32.4
111.08079	15.4
111.11734	13.8
113.09676	2.3
121.10152	63.3
122.07161	9.2
123.11707	13.0
125.09627	5.5
125.13261	3.5
135.11699	48.7
137.13242	6.0
139.11157	2.9
143.14211	1.7
144.04832	3.7
149.13261	21.6
151.14836	7.4
158.41518	1.5
163.14832	7.1
165.16397	6.0
177.16351	3.4
191.17903	2.0
209.11537	1.8
220.98532	1.7
247.24228	38.3
265.25269	100.0
266.25537	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97835	1.6
55.05516	68.4
57.07084	24.2
63.72190	1.7
65.98427	1.7
67.05511	61.7
69.07076	88.6
69.10786	6.2
69.11212	7.6
71.04982	4.1
71.08634	14.2
79.05066	2.9
79.05499	35.2
81.04525	2.1
81.06585	4.2
81.07064	78.3
83.08624	62.4
83.09123	3.1
84.08891	1.9
85.06541	5.9
85.10187	8.1
91.05477	5.6
93.07052	41.2
95.08617	71.3
97.06545	21.7
97.10175	45.4
99.08073	3.3
102.26679	1.9
105.06989	1.7
107.08602	26.1
109.10168	32.9
111.08068	16.2
111.11730	14.8
113.09636	2.2
121.10157	60.7
122.07159	11.7
123.11697	13.0
125.09645	3.6
125.13278	5.1
135.11697	46.0
135.12689	3.1
137.13260	5.0
139.11165	3.4
143.14305	2.3
144.04788	3.8
149.13280	17.8
151.14803	7.0
152.86694	1.8
163.14810	9.1
163.37079	1.8
165.16396	6.5
169.15822	2.8
177.16342	4.2
191.18031	2.7
247.24231	45.7
265.25287	100.0
266.25607	2.5
281.66150	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	265.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	61.4
57.07069	33.9
67.05507	62.3
69.07068	87.9
69.55971	4.2
71.04988	8.3
71.08616	15.0
71.31590	4.5
79.05492	42.4
81.07053	86.8
83.04983	4.9
83.08626	53.1
85.06525	8.6
85.10180	6.1
86.85313	4.4
91.05480	7.4
93.07036	46.7
95.08607	77.4
97.06517	25.6
97.10170	37.2
99.08097	9.5
105.07017	10.3
107.08581	24.9
109.10166	42.2
111.08069	18.6
111.11718	14.9
121.10163	56.2
122.07153	30.3
123.11683	9.7
125.09660	4.8
135.11685	54.7
139.11151	4.9
149.05710	4.7
149.13237	17.4
151.14804	8.7
155.55371	4.5
158.76549	4.8
163.14886	5.5
172.63336	4.3
221.30605	5.5
247.24158	41.5
265.19281	7.1
265.21939	9.4
265.25241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
60.08159	5.6
61.02915	1.7
65.34593	0.6
69.03416	3.6
71.01319	0.7
71.20439	1.4
73.02924	4.2
74.68890	0.7
75.90581	0.6
81.03413	1.2
85.02914	6.1
87.04469	6.9
97.02908	1.3
97.03713	0.6
99.04451	3.2
104.10746	54.4
105.11081	1.2
109.02905	0.9
114.17228	0.7
127.03912	1.3
176.91260	0.7
266.15982	100.0
267.16382	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01873	5.4
55.05497	9.3
65.03617	3.8
65.03939	59.7
65.22890	2.0
67.05502	13.7
68.99793	2.5
69.03426	2.7
69.07063	17.3
71.04983	3.1
71.30360	3.1
71.83468	2.5
72.74644	2.1
79.05486	30.0
81.03419	4.9
81.07052	15.4
82.55900	2.1
83.05002	3.1
83.08610	3.3
86.50771	2.1
91.05479	56.4
93.03403	28.8
93.07040	16.5
95.04941	14.0
95.08614	8.8
97.06511	5.1
97.10165	3.0
103.05459	2.3
105.03384	4.1
105.07033	46.7
107.04943	7.7
107.08622	11.7
109.02874	3.9
109.06509	9.9
109.10179	5.7
113.09648	2.1
114.08958	2.2
115.05403	3.1
117.07003	7.2
119.04920	17.9
119.08578	22.1
121.02863	3.4
121.06487	8.7
121.10072	3.1
123.04406	5.8
123.08035	2.4
124.65590	2.2
125.05997	7.8
127.03909	6.6
128.06219	10.6
129.06995	5.9
131.08562	4.8
133.02835	3.7
133.06476	3.7
133.10132	75.2
135.04401	15.1
135.11700	2.8
136.06169	26.7
137.02336	64.5
137.05930	7.9
137.09599	2.8
139.03824	5.8
143.08545	22.3
145.10152	7.4
147.04411	4.5
147.08051	4.0
151.03944	4.8
151.07451	2.3
151.11176	4.3
153.05440	6.6
155.03404	37.9
157.10185	2.4
161.09610	63.6
165.01833	100.0
165.05460	18.5
171.08049	6.5
177.09035	2.9
179.10648	20.8
181.10100	3.0
183.02818	5.8
189.07545	3.5
189.09116	39.6
193.04959	31.9
193.12251	4.0
197.04443	57.9
203.10654	2.7
207.10094	21.8
217.08569	6.8
221.11684	17.0
249.11256	7.2
267.11807	7.9
268.22382	5.4
284.09439	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	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
52.85374	0.4
53.27881	0.4
56.05037	20.3
57.03432	3.2
58.06603	4.8
74.06080	100.0
84.04506	3.7
91.05475	1.8
93.07026	0.5
98.22623	1.0
101.07144	1.5
103.05448	2.2
107.04974	0.9
120.08103	61.3
121.08430	1.1
130.06493	0.7
131.04922	1.4
136.06181	2.0
139.01984	0.5
149.06018	1.0
158.09601	1.4
166.08635	39.5
166.59755	0.4
167.08859	0.7
176.10657	1.1
177.10228	0.6
203.11804	1.5
214.29109	0.5
221.12871	6.7
237.58760	0.4
249.12308	4.3
267.13391	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	267.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	21.1
57.03434	3.0
57.61724	0.4
58.06602	4.2
64.47143	0.4
68.08488	0.4
69.39747	2.1
69.40166	0.9
72.08121	0.5
74.06080	100.0
75.06409	1.1
79.05500	0.4
84.04503	3.4
84.08128	0.6
87.45010	0.3
91.05479	1.7
101.07127	1.3
103.05479	2.2
107.04948	0.8
113.00719	0.4
115.26281	0.5
119.07304	0.6
120.08105	57.1
121.08447	1.1
131.04932	1.7
136.06187	5.9
149.05988	1.3
158.09639	1.4
166.08636	39.0
167.08974	0.8
169.48885	0.4
176.10654	0.7
203.11778	1.6
221.12830	6.2
249.12321	3.7
267.13370	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	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03945	1.7
55.01865	2.8
55.05511	12.2
57.03441	6.6
57.07066	1.7
61.15955	1.0
65.03928	1.3
67.05505	37.6
69.07063	15.4
70.90865	1.8
71.04991	2.8
79.05059	1.9
79.05494	21.2
81.03443	1.1
81.07057	100.0
82.07377	2.4
83.04993	7.3
83.08621	7.0
85.06529	3.4
91.05479	29.4
93.07048	13.9
95.04974	2.7
95.08604	26.5
97.06013	0.9
97.06539	7.4
97.10165	1.3
98.49158	1.2
98.97545	1.2
99.08067	4.2
100.10654	1.4
101.05998	1.5
105.07030	36.7
107.08590	14.5
109.06523	4.7
109.10139	1.9
111.08080	1.6
113.76192	1.2
119.08580	26.9
121.10143	20.5
122.07121	1.3
123.08086	2.9
123.11706	24.9
127.07555	3.5
131.08516	1.5
133.10138	3.9
136.06187	10.1
136.41093	1.1
137.13226	3.4
145.10089	1.8
147.11679	57.7
148.12009	2.1
157.10081	2.0
165.12753	23.8
175.11159	2.7
175.19763	1.0
183.13828	2.3
193.12152	1.6
267.15906	97.0
268.16238	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	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21145	1.2
55.01869	2.3
55.05511	12.8
57.03167	1.5
57.03429	7.3
57.07067	2.6
57.94630	1.6
65.03928	1.9
67.05505	21.4
69.00005	8.7
69.00427	5.0
69.03434	2.6
69.07072	13.3
71.04993	3.5
71.08609	1.7
74.05481	1.4
79.05501	12.9
81.03399	2.6
81.07057	24.5
83.04956	1.7
83.08609	11.8
85.06551	4.7
91.05480	5.5
93.07047	16.3
95.04961	4.0
95.08606	23.5
97.06509	5.3
97.10169	4.3
98.98443	2.1
99.04453	53.4
99.08096	1.6
105.07044	4.6
107.08581	10.2
109.06523	4.9
109.10156	12.4
109.30547	1.2
111.08081	7.4
112.87659	1.3
119.08582	4.6
121.10127	5.3
123.11742	2.6
126.61327	1.3
130.71748	1.2
131.08580	1.9
133.10135	5.0
135.11671	2.4
136.06172	17.5
144.76997	1.9
145.30194	1.3
147.11684	3.9
149.13284	4.7
159.11667	2.1
167.14243	1.8
179.17809	1.4
189.16379	4.8
195.13786	4.9
207.17493	2.8
225.18492	100.0
226.18826	2.9
229.18138	1.7
233.74916	1.5
243.19508	11.0
249.18518	10.7
267.17300	3.2
267.19751	3.3
268.10437	1.8
268.29953	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.27491	0.2
55.01865	0.4
56.96548	0.4
57.03445	0.4
69.03457	0.2
69.60427	0.3
69.60824	0.7
70.06593	0.3
71.01344	0.2
73.02912	0.3
84.08135	0.3
85.02892	0.4
86.09691	0.3
88.31197	0.2
94.04040	0.4
97.07613	0.1
98.23311	0.3
109.15798	0.1
110.07137	0.7
115.03991	0.3
118.26470	0.1
119.01945	0.4
119.03542	0.9
119.04867	0.2
120.02016	0.2
121.01691	0.2
134.96086	0.3
136.06184	100.0
137.04594	0.5
137.06606	1.0
156.07668	0.3
160.99602	0.3
164.93510	0.4
171.10936	0.2
173.07741	0.3
175.02660	0.2
178.95030	0.2
179.00699	1.4
182.99706	0.2
201.00763	0.3
203.00653	0.2
209.07719	0.5
215.09906	0.2
219.01808	0.2
219.04004	0.3
221.01779	1.9
222.00124	0.4
227.08716	0.3
239.45142	0.2
240.01160	0.3
241.01147	0.1
245.01784	1.1
247.08720	0.2
248.46001	0.2
263.02863	7.6
264.03098	0.4
268.10400	4.7
268.94659	0.7
269.10831	0.2
286.01501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01869	0.5
57.03430	0.6
61.02926	0.2
65.50667	0.1
69.03424	0.3
70.66370	0.3
71.01367	0.2
73.02926	0.4
77.69201	0.1
85.02872	0.4
94.04066	0.4
106.70779	0.2
115.03922	0.2
119.03519	1.1
133.04941	0.2
136.06184	100.0
137.04568	0.7
137.06644	1.0
171.57687	0.2
262.41739	0.2
263.02765	0.2
268.10388	5.2
269.10489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57895	0.4
54.63515	0.4
70.69339	1.1
74.10079	0.4
88.41191	0.4
98.23253	0.5
104.99271	100.0
105.99620	0.8
125.20409	0.4
152.57805	0.5
186.99541	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79660	6.5
50.81399	6.7
53.03921	8.2
55.05508	8.9
67.05493	40.4
69.07059	12.4
69.84562	27.2
76.46203	6.6
79.05491	30.1
81.07062	42.4
83.04998	19.4
85.06526	14.2
91.05469	13.9
93.07039	31.4
95.04971	8.2
95.08607	10.1
97.06554	19.2
105.07050	23.1
107.04963	18.1
107.08597	24.3
109.02642	6.9
109.06552	13.3
117.07031	10.3
121.06497	14.6
125.05984	20.0
131.08572	13.5
133.10100	7.9
145.10127	26.8
149.13275	11.9
159.11668	14.9
163.11177	100.0
173.09645	20.3
187.11235	20.5
191.10709	19.5
205.12231	10.4
207.13971	7.9
215.10684	12.9
233.11674	8.8
269.17444	22.7
269.23071	47.7
274.11279	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01867	5.4
55.05513	25.7
55.45187	1.8
57.03442	23.4
57.07077	4.5
67.05503	84.1
69.03439	2.5
69.07068	28.2
70.06557	2.7
71.04987	9.0
71.30157	2.8
71.81533	1.7
72.02528	1.8
72.08145	1.9
79.05492	54.9
81.07055	100.0
83.04996	11.3
83.08614	22.2
84.08159	3.1
85.06537	7.9
86.09702	3.8
91.05479	37.6
93.07040	66.9
95.04969	11.5
95.08607	31.0
97.06541	21.5
97.10164	3.2
97.77264	2.1
99.04446	2.5
99.08102	3.0
105.04519	2.1
105.07047	20.1
107.04948	3.7
107.08589	35.0
109.06509	6.2
109.10167	12.2
110.07149	16.9
111.08076	7.5
117.07016	18.0
119.08583	8.7
121.06506	3.6
121.10156	17.5
122.10481	2.4
123.11697	6.9
129.06996	2.5
131.08554	17.9
133.06517	2.5
133.10136	19.2
135.08054	5.7
135.11685	18.0
136.06190	5.5
137.06540	3.6
143.08562	3.5
145.06445	2.3
145.10114	8.8
147.11633	4.7
147.26324	2.2
149.13251	40.1
151.07477	3.0
151.11250	2.8
156.07768	3.2
157.10056	3.7
159.08095	2.0
159.11667	34.4
161.13248	4.9
163.07307	3.6
163.11176	7.6
173.09622	5.0
173.13304	3.5
175.14758	2.3
177.08882	3.3
177.12798	12.4
179.14255	2.6
185.13193	3.6
187.11201	3.9
195.11891	1.6
195.13744	10.5
199.14813	3.5
213.16441	3.5
241.04846	2.2
241.09851	2.2
241.13310	3.5
254.10333	2.5
269.04498	3.4
269.08551	2.7
269.13019	4.5
269.17474	55.0
269.22510	18.5
270.17941	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	269.1383
Annotation	Ripazepam
Peak:m/z	Relative Intensity
67.05504	14.0
69.03460	7.7
69.07058	13.8
71.05001	9.2
71.28278	6.8
75.04178	8.1
79.05497	22.3
79.43913	7.4
81.07072	24.2
83.05004	10.2
91.05466	25.5
93.07059	13.0
95.04972	8.9
95.08636	12.7
97.06562	10.3
104.99245	8.1
105.07033	30.6
107.04970	10.2
107.08566	11.5
109.06510	12.1
110.07168	29.0
117.07040	9.2
119.04912	8.3
121.06507	19.2
125.05986	8.7
131.08566	10.7
136.06187	15.7
143.08582	8.4
145.10139	26.4
159.11723	10.7
163.11093	38.3
173.09622	17.9
181.12267	11.7
187.11243	18.2
215.10741	9.9
216.78331	8.1
233.11819	13.0
269.13629	100.0
269.16449	9.5
269.17462	6.8
286.91394	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79660	6.5
50.81399	6.7
53.03921	8.2
55.05508	8.9
67.05493	40.4
69.07059	12.4
69.84562	27.2
76.46203	6.6
79.05491	30.1
81.07062	42.4
83.04998	19.4
85.06526	14.2
91.05469	13.9
93.07039	31.4
95.04971	8.2
95.08607	10.1
97.06554	19.2
105.07050	23.1
107.04963	18.1
107.08597	24.3
109.02642	6.9
109.06552	13.3
117.07031	10.3
121.06497	14.6
125.05984	20.0
131.08572	13.5
133.10100	7.9
145.10127	26.8
149.13275	11.9
159.11668	14.9
163.11177	100.0
173.09645	20.3
187.11235	20.5
191.10709	19.5
205.12231	10.4
207.13971	7.9
215.10684	12.9
233.11674	8.8
269.17444	22.7
269.23071	47.7
274.11279	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01875	7.0
55.05509	27.4
57.03432	20.3
63.83740	3.0
65.03937	4.8
67.05501	67.9
69.03418	9.9
69.07064	37.2
70.05508	9.2
71.04983	9.4
72.08144	7.3
74.15202	2.7
75.19805	3.5
79.05486	64.6
81.03433	3.4
81.07053	100.0
83.04981	30.4
83.08606	15.5
84.08145	5.7
85.06553	9.5
86.09673	6.9
91.05477	49.7
91.07173	2.7
93.07038	87.4
95.04966	24.0
95.08604	33.4
97.02895	3.4
97.06525	33.1
99.04453	13.1
99.08051	3.8
100.11288	4.9
103.05451	3.5
105.04536	4.1
105.07024	55.1
107.04942	15.1
107.08590	49.8
109.06519	17.0
109.10161	10.6
110.07162	26.4
111.08109	9.6
112.27430	2.9
115.05443	15.7
117.07005	20.8
119.04897	7.2
119.08581	14.9
121.06512	28.2
121.10143	13.8
123.08040	3.0
123.11723	6.7
125.05993	21.8
125.09564	3.7
128.06209	4.0
129.07014	8.2
131.08580	24.6
133.06483	10.1
133.10164	21.5
135.08067	11.4
135.11723	22.4
136.06230	4.9
137.05984	12.6
139.07561	8.8
141.06941	15.6
143.07011	6.8
143.08589	4.2
144.09319	6.5
145.06477	6.1
145.10110	46.6
147.11707	12.2
149.13252	22.4
151.11168	4.9
155.06007	3.2
156.07742	4.0
157.06465	5.6
158.07295	5.6
159.08005	7.0
159.11682	51.0
163.07541	3.8
163.11160	52.0
169.06462	20.8
169.10194	8.5
171.11684	5.9
173.09627	38.5
177.12778	10.4
179.08514	3.4
181.12262	15.2
185.05887	5.0
187.11226	30.2
191.10687	13.8
195.13826	5.9
195.34384	3.5
197.05858	4.7
197.09590	11.0
205.12271	12.5
209.05965	10.9
209.11626	6.7
213.05466	8.3
215.10680	39.2
223.07510	5.9
233.11711	17.7
241.04997	29.6
251.12798	7.7
269.04462	10.4
269.08023	5.6
269.13092	11.7
269.17514	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03947	6.1
55.01874	9.9
55.05511	16.2
57.03437	9.6
65.03944	3.6
67.05506	40.0
69.03432	11.5
69.07077	26.5
70.06600	8.0
71.04996	11.7
71.29819	4.3
79.05494	60.9
81.03425	6.3
81.07067	68.8
83.04995	27.4
83.08631	9.4
84.08170	4.1
85.44576	3.3
86.09743	9.0
91.05485	50.7
93.07041	75.6
95.04979	30.6
95.08615	33.2
97.02929	7.9
97.06530	33.8
99.04462	8.5
103.05473	4.7
105.07028	69.8
107.04972	18.9
107.08594	51.9
109.06515	22.7
109.10177	10.3
110.07190	27.0
111.04439	3.8
111.08066	7.8
115.05476	4.9
117.07031	15.1
119.04959	13.2
119.08552	18.1
121.06485	46.4
121.10190	8.4
123.08081	4.2
123.11718	4.4
125.06013	35.2
125.09618	5.0
127.07545	3.9
129.07021	7.9
130.07806	8.3
131.04971	4.8
131.08578	24.2
133.06497	12.3
133.10138	13.9
135.08055	17.1
135.11696	20.2
136.06175	6.0
137.05893	17.5
139.07532	8.2
141.06975	7.3
143.07056	11.3
143.08594	11.8
144.09395	7.4
145.06512	15.8
145.10123	93.9
147.11705	10.6
149.09654	5.3
149.13316	8.8
151.07542	5.4
154.07747	8.6
157.08600	4.2
158.07291	6.9
159.08076	9.6
159.11694	46.3
161.13235	5.7
163.11189	100.0
164.11571	4.6
169.10172	13.7
171.11664	8.5
173.09613	52.9
177.12778	8.6
179.08585	7.6
181.06345	3.8
181.12244	29.1
182.07202	4.8
187.11192	51.3
187.14784	4.3
189.12627	5.5
191.10689	34.0
197.09589	20.0
202.48219	3.4
205.12173	19.3
209.05989	16.1
209.11726	9.2
215.10675	62.5
223.07542	4.0
227.12837	5.7
233.11700	35.1
251.12842	9.6
269.08243	6.6
269.13000	10.8
269.17499	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	269.1609
Annotation	His Ile
Peak:m/z	Relative Intensity
56.05036	1.4
56.96555	0.4
60.04514	0.8
70.06574	1.5
70.33296	0.3
71.13710	0.5
80.39386	0.3
81.04539	0.8
82.05330	0.5
83.06105	9.4
84.08144	0.7
86.09708	1.8
91.05499	0.8
93.04530	7.5
95.06107	1.0
98.97586	1.0
105.57725	0.3
109.03358	0.3
110.07166	100.0
111.06824	0.4
111.07526	1.0
116.98667	0.3
119.04951	0.6
121.03992	0.5
123.93983	0.3
135.96658	0.3
136.07588	3.9
138.06622	3.5
141.06636	0.5
144.02019	0.3
156.07692	7.7
165.05527	0.4
166.06116	0.4
178.13403	2.9
182.08194	0.5
191.69775	0.3
193.09738	0.3
206.12866	0.4
211.10863	2.0
219.01967	0.6
222.01862	0.6
223.15524	5.7
234.99751	0.3
251.15024	7.3
262.02347	0.3
263.02963	0.4
264.02927	2.0
269.16098	13.2
270.15796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.71308	1.3
55.01865	3.6
55.05278	1.5
55.05512	20.8
57.02975	1.5
57.03437	27.4
57.07064	2.5
58.33631	1.2
65.03931	2.6
67.05505	85.7
69.03405	1.7
69.07068	22.9
69.61698	6.8
70.06593	1.9
70.85935	1.2
71.04984	8.9
72.08141	1.4
73.02901	1.5
76.28095	1.2
79.05494	50.0
81.03410	3.7
81.07055	100.0
83.04978	9.6
83.08616	18.5
85.06558	9.0
86.09686	2.6
91.05482	37.0
93.07043	84.6
95.04965	11.8
95.08041	2.5
95.08607	28.4
97.06538	23.3
97.10146	1.6
98.22649	1.6
99.04399	2.0
99.08091	5.3
105.04494	2.4
105.07022	17.4
107.04967	1.6
107.08596	31.5
109.06516	6.4
109.10152	7.2
110.07175	10.2
111.08099	10.3
113.05998	2.7
117.07018	18.9
119.08549	4.7
120.08024	1.5
121.06512	3.4
121.10147	11.7
123.08090	2.3
123.11707	3.7
127.07551	2.6
131.08568	21.9
133.10121	17.5
134.10545	1.6
135.08061	2.7
135.11691	16.2
136.06197	2.7
137.06502	2.3
139.11107	2.0
143.08597	1.4
145.10101	1.9
147.11644	1.6
149.09676	1.5
149.13263	36.2
150.13489	1.8
151.11191	4.6
157.10214	1.8
159.11694	35.6
161.13240	2.5
177.12746	17.2
179.14301	3.3
195.13802	10.8
211.14723	1.8
223.07619	1.8
227.10666	1.9
269.17468	68.0
269.22522	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	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03934	4.5
55.01870	4.7
55.05513	19.2
57.03158	1.6
57.03431	23.1
57.07079	1.7
65.03935	2.0
67.05505	79.2
69.03416	3.1
69.04994	6.3
69.05402	2.7
69.07065	28.4
70.06565	1.5
71.04986	6.1
72.08155	2.4
77.16737	1.0
79.05491	49.0
81.03411	1.7
81.07055	100.0
82.07378	1.7
83.04974	12.4
83.08624	17.0
85.02884	2.2
85.06533	6.1
86.09697	3.2
91.05478	41.0
93.07043	68.6
94.07372	1.1
95.04955	9.0
95.08606	27.6
97.02869	1.4
97.06531	24.5
97.10162	3.3
99.04440	2.3
99.08085	5.4
105.04504	1.6
105.07038	20.9
107.04992	1.6
107.08590	32.7
108.08900	1.2
109.06525	7.2
109.10143	7.6
110.07148	9.7
111.08071	9.1
113.06030	2.2
113.09672	1.3
117.07015	19.1
119.08576	6.0
119.71720	1.0
120.08167	1.4
121.06505	3.7
121.10156	12.3
121.87337	1.0
123.08039	1.7
123.11687	3.9
125.05963	1.2
125.09661	1.6
129.07028	1.6
131.08566	24.8
133.06578	1.2
133.10130	20.8
135.08026	4.7
135.11678	11.6
136.06178	2.6
137.05876	1.8
139.07495	1.5
141.07047	1.1
142.07721	1.3
143.08571	1.5
144.09360	1.2
145.10117	5.3
147.11678	3.1
149.09631	2.0
149.13252	33.4
151.07545	1.4
151.11163	3.6
156.07695	1.6
157.10092	3.1
159.11693	38.1
161.09534	1.2
161.13232	4.1
163.11159	3.8
167.08594	1.4
167.14371	1.5
169.10219	1.3
170.09270	1.6
173.09641	2.8
173.13191	1.2
177.12729	19.7
179.14349	4.0
187.11197	1.6
191.10643	1.5
195.13803	12.2
199.14819	1.4
205.12109	1.8
213.16504	1.7
215.10670	2.4
221.36331	1.0
225.40173	1.1
233.11705	2.4
269.04474	1.5
269.12854	3.8
269.17456	72.5
269.22556	6.9
270.17825	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40989	1.3
50.94808	1.2
53.03932	2.7
53.95456	1.2
55.01867	3.0
55.05513	21.3
57.03437	32.2
57.07074	3.3
65.03946	3.3
67.05505	77.4
68.91183	1.2
69.07067	30.9
70.44798	3.9
71.04994	7.5
79.05494	44.4
81.03402	3.1
81.07056	100.0
83.04993	8.7
83.08619	21.4
85.06541	6.3
91.05482	30.3
93.07043	66.6
93.07547	1.0
94.07355	1.9
95.04958	7.2
95.08604	25.0
97.06536	14.3
97.10168	3.7
99.08069	4.2
105.07034	11.2
107.04937	1.5
107.08587	36.7
109.06496	4.4
109.10147	5.9
110.07168	5.0
111.08076	9.7
117.07010	12.8
119.08578	2.2
121.10139	15.3
123.11702	4.4
131.08575	13.3
133.10114	12.4
135.08014	2.2
135.11679	11.4
136.17989	1.4
139.11176	2.0
147.11649	1.5
149.09682	2.2
149.13263	47.0
159.11691	25.4
167.14278	2.6
177.12732	11.1
195.13799	13.4
207.54466	1.2
213.14760	1.7
269.13110	2.1
269.17462	50.5
269.22272	2.0
270.17871	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03959	2.8
55.01871	2.1
55.05510	22.2
55.87312	1.3
57.03162	2.3
57.03437	34.8
57.07065	4.0
63.66592	1.2
65.03923	1.4
67.05505	85.7
69.06731	2.1
69.07072	27.9
69.82128	4.8
71.04990	6.8
71.08633	1.3
79.05495	47.4
81.03406	1.9
81.07056	100.0
82.07358	1.6
83.04993	9.8
83.08617	17.2
85.06537	5.4
91.05480	32.5
93.07044	68.0
95.04948	7.2
95.08044	2.1
95.08611	25.1
97.06543	16.9
97.10140	2.4
99.08086	3.1
105.07030	7.0
107.08591	32.0
109.06530	2.1
109.10154	5.5
111.08076	10.4
117.07010	11.7
119.08596	3.0
121.06486	1.7
121.10141	22.6
123.11692	3.4
123.89301	1.5
125.09622	1.4
131.08594	10.2
133.10143	11.7
135.08066	3.1
135.11707	11.7
137.06441	1.5
147.11647	2.2
149.09685	1.3
149.13252	39.7
159.11687	17.5
177.12769	9.9
195.13809	11.0
213.14908	1.8
215.41129	1.1
226.77875	1.3
242.53589	1.4
254.09438	1.2
269.17474	44.4
270.17755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01870	4.9
55.05507	16.6
57.03437	21.8
57.07068	5.0
65.03948	3.0
67.05509	67.8
69.07069	26.5
70.67698	5.9
71.04990	6.4
71.93149	3.6
74.90369	2.7
79.05490	46.0
81.07056	100.0
83.04987	11.0
83.08616	16.8
85.06555	5.8
85.14854	2.8
91.05479	25.1
93.07045	64.5
95.04955	6.4
95.08606	37.0
97.06554	19.2
99.08092	5.9
101.68285	3.6
105.07013	20.0
107.08595	39.9
109.06509	4.6
109.10157	11.6
110.07170	11.9
111.08095	7.0
114.09194	15.9
117.07026	10.9
119.08602	11.8
121.10149	22.7
123.11636	3.3
131.08594	13.6
133.10132	18.0
135.11693	17.3
136.06224	8.1
137.06601	3.9
143.08563	7.0
145.10123	9.4
147.11755	4.7
149.13254	37.3
157.10117	7.7
159.11696	28.8
161.13278	6.7
171.11659	5.9
173.13324	3.5
175.14810	3.8
177.12790	8.9
185.13182	3.1
187.14882	3.5
195.13835	7.8
199.14738	3.5
213.16379	5.1
227.18013	4.1
269.11816	3.2
269.12799	3.6
269.17386	39.2
269.22580	49.9
270.09738	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03952	5.8
55.05514	25.2
56.18099	3.8
57.03437	44.7
61.62911	4.4
63.35893	4.0
67.05505	76.8
69.07063	28.6
69.46111	21.4
71.05000	4.9
79.05495	54.7
81.03392	6.4
81.07051	100.0
83.04951	8.8
83.08623	21.3
85.06551	5.8
91.05485	29.9
93.07040	73.9
95.04948	9.0
95.08601	28.0
97.06535	14.1
98.77709	4.3
105.07055	8.7
107.08596	44.1
109.10188	6.4
110.07188	6.5
111.08036	8.7
117.07000	11.1
119.08574	6.0
121.10142	20.3
131.08553	14.0
133.10104	18.2
135.08081	5.8
135.11725	9.7
136.06157	5.4
137.06567	7.8
143.04836	4.6
149.13280	44.2
159.11670	24.2
177.12747	11.6
187.71632	4.8
195.13808	7.5
210.99236	4.6
242.94943	4.3
269.17441	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.05031	7.1
57.07076	10.8
58.06605	0.9
67.05511	1.9
68.99789	2.7
69.07050	1.0
71.08635	4.6
74.06075	16.8
78.77468	0.7
79.05476	1.1
81.07030	2.2
82.23537	0.7
85.10151	1.1
88.07629	100.0
89.07939	1.1
93.07047	1.7
95.08597	2.1
107.08571	1.1
110.07082	0.9
111.00816	4.8
119.08536	0.8
129.01797	0.8
136.06108	0.8
139.00267	8.7
157.01337	8.3
157.10040	1.4
199.25101	0.8
242.24777	78.3
243.25081	3.0
251.24820	2.1
269.19287	4.9
269.23077	1.5
269.25867	28.6
269.30392	2.4
284.14938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05511	1.2
56.05841	0.3
57.03428	0.5
57.07084	0.5
67.05512	1.3
67.05806	0.2
68.05022	0.6
68.05831	0.4
68.99801	0.4
69.07078	1.0
69.86404	0.9
70.06597	0.7
71.05012	0.3
72.08158	0.2
79.05495	4.1
80.05840	0.3
80.80881	0.2
81.05791	1.3
81.07061	1.5
82.07396	0.7
91.05484	0.6
91.53832	0.2
93.07067	0.6
94.06567	1.8
94.07383	0.5
95.04977	0.3
95.08620	0.5
96.08133	34.4
97.06541	0.8
97.08440	0.3
98.06900	0.2
99.04433	0.3
107.08586	0.4
108.08956	0.5
110.07162	0.4
114.09170	100.0
115.09515	1.0
134.06052	0.3
139.95822	0.2
149.12114	0.2
150.13579	0.3
160.11986	0.4
171.30382	0.3
223.74120	0.3
252.23337	0.7
270.13562	0.3
270.24298	21.9
271.05994	2.2
271.24664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
56.96563	10.3
58.99869	17.7
60.05647	4.5
61.77145	2.1
65.13706	2.7
69.64386	8.4
70.06593	43.1
72.08159	5.5
77.00906	14.8
81.03429	5.4
84.08142	5.6
84.95973	2.1
86.09708	4.5
93.07481	2.1
94.35928	2.1
95.01924	5.0
96.08146	5.9
98.06030	4.3
98.97601	3.8
101.00867	16.1
103.02445	4.8
103.39108	2.2
109.87188	2.2
110.07135	21.4
111.07494	7.3
112.08736	5.3
114.09170	11.3
115.02427	3.9
116.07088	5.7
116.98598	6.3
119.01918	100.0
120.01982	3.0
121.03492	2.2
123.73818	2.2
127.03930	3.9
127.08699	3.6
129.03976	5.1
133.03477	2.8
134.05997	18.2
136.06184	28.4
137.02954	36.6
137.06609	21.7
141.04002	15.0
143.00101	2.5
147.05061	3.6
149.07124	4.9
150.05487	6.8
152.07053	35.7
153.01796	3.8
155.08228	3.5
157.03464	15.6
159.05006	19.7
159.07689	2.9
161.01268	4.5
167.01924	5.3
175.04506	13.6
175.08669	4.9
175.11888	4.1
176.09476	6.5
177.00935	4.5
177.06100	14.1
183.05072	6.3
183.95232	2.4
185.02930	27.5
196.45056	2.2
197.07745	5.4
199.04581	14.1
199.06085	2.6
201.06105	4.7
203.04028	44.7
204.04121	3.3
211.10841	4.1
212.07680	3.4
215.08705	6.3
217.05537	14.7
219.07663	4.8
221.05080	2.5
224.95453	3.0
225.02423	2.3
227.04015	23.6
227.08517	6.6
229.01926	4.7
230.08939	2.6
234.99774	4.8
237.08566	3.1
245.05110	16.0
257.95142	2.2
268.10107	2.5
270.16449	4.2
271.03052	4.6
271.06073	39.6
271.17603	2.8
271.20285	2.8
272.17337	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	271.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.05503	2.2
57.56253	0.8
58.06593	0.9
58.99868	25.8
59.99924	1.4
62.73548	0.7
64.47519	0.6
67.91698	0.6
69.84263	2.0
70.06595	6.7
70.99850	1.9
72.08151	2.9
75.92540	0.7
77.00907	13.2
81.03409	5.8
82.99832	4.4
84.08143	1.5
85.01430	1.6
85.02870	0.9
86.09714	1.8
86.99375	0.7
87.43616	0.8
89.00904	0.8
89.50977	0.7
90.81189	0.6
98.97628	0.8
101.00882	44.4
102.00992	1.4
103.02446	2.1
110.06067	1.0
110.07156	2.1
111.02921	0.7
111.07493	1.1
113.00847	1.2
115.02441	3.2
115.46546	0.7
115.79346	0.8
116.07060	2.0
118.03537	1.3
119.01921	100.0
120.02025	3.3
123.02948	3.2
127.02471	0.8
129.03964	5.9
131.01913	3.4
133.03490	2.8
136.06151	1.3
137.02957	21.5
138.05554	1.1
139.02419	2.7
141.03969	18.9
142.03419	1.0
142.59447	0.8
145.03459	1.5
147.05040	3.5
154.61623	0.7
155.01917	0.9
157.03470	21.9
158.03564	0.8
159.05031	26.3
160.05170	1.1
167.01875	8.8
171.05046	1.8
172.84267	0.8
175.04543	15.7
175.06075	0.9
176.04588	0.8
177.04639	1.5
177.06088	17.5
181.03355	3.6
183.05045	15.8
184.46507	0.8
185.02956	40.1
186.03096	1.5
186.93283	0.9
195.70865	0.7
199.04521	25.8
199.06345	1.4
200.04617	1.2
200.07764	0.8
201.06091	8.1
201.07777	1.1
203.04012	48.3
204.04210	2.7
208.04581	0.8
209.03000	4.2
211.10764	0.8
217.05598	13.7
217.07518	0.8
221.05066	2.6
222.06215	0.8
225.02414	1.5
226.05650	1.1
227.03999	37.7
228.04152	0.9
228.94270	1.0
229.01865	5.8
245.05060	23.7
247.03081	1.1
253.02025	0.9
271.03165	5.7
271.06107	1.3
271.17755	1.1
272.16974	0.9
272.18903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0593
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03937	0.3
56.41882	0.1
57.03420	0.2
64.03984	0.1
65.03917	0.2
67.01062	0.1
67.01864	1.9
68.99786	1.1
69.03426	1.1
69.03719	0.2
69.04127	0.4
70.06583	0.2
72.08156	0.2
73.02901	0.2
81.03422	0.9
81.07035	0.1
85.02901	0.5
91.01872	0.1
91.05484	1.7
95.04967	0.2
97.02909	0.5
99.04440	1.0
108.10300	0.1
109.02882	1.2
109.37996	0.1
110.02718	0.1
111.00819	0.2
115.05451	0.1
119.04942	5.1
120.05267	0.1
121.02862	1.8
125.02324	0.1
127.03915	1.4
129.01823	0.4
129.06970	0.1
131.08514	0.1
135.00822	0.1
141.06982	0.3
145.02837	2.1
153.01822	12.0
154.02196	0.2
163.03928	0.9
167.66922	0.1
169.06477	0.2
171.02898	1.4
178.89488	0.1
187.03914	0.3
197.05972	0.3
203.07045	0.3
211.04002	0.2
215.07098	0.1
225.05411	0.7
229.04968	0.5
243.06468	0.7
247.06116	0.2
253.04874	0.1
271.05991	100.0
272.06332	4.1
272.22028	0.2
274.49173	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	271.0599
Annotation	Baicalein
Peak:m/z	Relative Intensity
55.05523	0.3
57.07057	0.3
62.97516	0.3
67.05500	0.8
68.99791	1.5
69.03424	0.5
69.07068	0.4
69.38133	0.8
69.38541	1.2
70.06589	0.7
71.08646	0.5
71.95139	0.4
72.08167	0.4
79.05490	0.8
81.03378	0.4
81.07066	0.8
85.02921	0.4
91.05470	0.8
93.07024	0.6
95.01335	2.1
95.08617	0.7
96.08134	4.4
97.08487	0.4
99.04451	0.5
103.05475	4.2
105.03381	2.0
105.07027	0.6
109.02883	0.4
109.10146	0.4
109.70191	0.3
114.09174	11.7
115.05482	0.3
115.09486	2.3
119.08576	0.7
123.00791	16.2
124.01077	0.4
125.09526	0.3
127.03899	0.8
137.22913	0.3
141.01823	1.9
141.06978	0.6
145.10159	0.4
146.11726	0.3
151.00272	0.6
153.01813	0.7
157.10040	0.5
169.01318	3.3
185.00861	1.2
190.91100	0.4
193.54053	0.3
197.06010	0.6
225.05495	1.9
229.04881	1.0
242.82664	0.3
253.04922	3.4
270.05267	0.3
270.24564	1.6
271.06009	100.0
271.24408	1.3
272.06332	4.8
272.25961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60714	0.9
53.03949	18.1
53.95159	0.9
55.01873	2.3
55.05510	3.1
56.05035	1.1
57.03432	6.5
58.06601	2.5
59.52012	0.9
67.01852	1.2
67.05491	2.4
69.03429	55.0
69.07043	1.5
70.06593	8.6
71.01340	1.1
71.04990	11.1
71.30412	1.2
72.08154	4.9
73.02912	20.3
79.05502	2.0
81.03419	44.1
81.07056	4.2
83.04971	1.6
84.08141	4.3
85.02904	33.2
86.09705	3.2
86.88312	1.2
87.04465	3.9
91.05486	2.4
93.07047	2.4
95.04980	1.4
95.08613	3.2
97.02889	34.5
97.06534	1.0
97.50282	1.0
98.09704	1.2
99.04452	78.1
101.02425	1.5
103.03942	8.7
105.07025	2.8
107.08608	1.2
109.02877	100.0
110.03157	1.6
112.07608	1.5
116.07090	1.9
119.04945	1.4
119.08607	1.3
123.04454	1.3
123.08152	1.3
125.02356	1.4
127.03913	99.8
129.10251	1.8
132.08102	1.5
133.10100	1.2
145.04944	7.4
153.01868	1.5
155.07149	1.1
155.08580	1.9
165.07045	1.7
169.04987	3.2
170.06029	2.5
181.06549	1.3
183.08078	1.9
199.07558	2.1
204.30318	0.9
236.20129	2.0
241.08575	3.3
253.07167	3.2
254.21133	13.3
271.05988	18.5
271.08264	10.6
271.20883	3.0
272.19144	1.7
272.22180	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.9
55.01890	2.3
55.05511	4.2
57.03443	3.8
58.06590	2.8
67.05504	5.0
69.03429	33.5
69.07066	3.7
70.06588	6.6
71.04990	10.5
71.11085	2.5
72.08152	7.4
73.02923	15.6
73.14590	1.4
79.05485	2.5
81.03419	50.8
81.07063	9.2
83.04972	2.4
83.08649	2.2
84.08154	7.1
85.02901	23.3
85.06554	1.6
86.09715	1.5
87.04459	2.0
91.05492	3.4
93.07038	5.1
95.04976	6.4
95.08595	8.0
96.05312	2.8
97.02898	21.6
97.06555	3.1
99.04456	57.0
99.82314	1.3
103.03965	7.0
105.07023	3.0
107.08609	1.9
109.02881	100.0
109.06574	2.0
109.10165	2.4
117.07032	1.8
119.04958	2.0
121.06505	4.0
127.03919	69.3
133.10130	2.5
134.10568	1.4
135.94876	1.4
139.07558	1.8
143.08548	2.3
145.04973	5.3
147.11685	2.7
152.07126	1.8
153.01878	2.6
154.12372	1.7
155.08418	1.3
163.07547	1.5
165.07053	4.3
166.08086	1.2
175.11176	1.5
181.30606	1.6
183.08092	4.1
217.12343	3.4
235.13264	2.1
236.19942	1.9
241.08717	2.2
246.91508	1.4
252.23244	8.4
253.14223	2.1
253.23631	5.6
254.21211	4.9
270.24280	26.6
271.05801	16.1
271.08191	4.1
271.14444	5.0
271.17239	2.0
271.20816	3.7
271.24615	19.6
272.22177	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	271.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01860	2.9
55.05514	41.5
57.03439	26.8
57.07074	2.4
65.03922	2.5
67.05507	60.8
68.36294	0.9
69.03412	1.4
69.07069	33.7
69.66902	2.8
69.67303	2.5
70.06590	1.4
71.05000	13.7
72.08153	1.2
73.06551	1.9
74.75036	0.9
79.05495	25.4
81.07060	89.0
82.07388	2.3
83.04974	3.5
83.08623	21.0
85.06559	7.8
91.05482	22.3
93.07046	23.2
95.04967	1.9
95.08609	100.0
96.08932	2.1
97.06535	14.9
97.10172	6.3
99.08085	5.1
105.07028	18.0
107.08596	8.6
109.06507	2.9
109.10165	13.7
111.08078	3.4
113.09668	2.2
117.07050	1.0
119.04943	1.4
119.08585	23.3
121.10153	5.4
123.08063	4.9
125.09642	1.5
131.07497	1.1
133.10126	16.2
135.11679	8.1
137.09625	4.3
137.13264	7.1
149.13284	1.5
152.06992	2.0
153.01837	3.6
161.13251	26.7
162.04411	1.0
162.13582	1.4
169.28636	0.9
176.09532	1.2
179.14288	13.9
253.17929	1.7
271.05988	20.3
271.19040	52.5
272.06302	1.1
272.19305	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03939	4.0
55.01852	2.3
55.05512	35.4
56.90144	1.2
57.03437	29.6
57.07061	1.9
63.59905	1.2
67.05506	51.7
67.11008	1.2
68.05836	1.5
69.07071	32.5
69.80987	1.7
71.04995	13.1
79.05495	23.5
81.07058	83.1
83.04974	3.3
83.08617	20.9
85.06540	10.3
91.05476	20.7
93.07040	22.7
94.41425	1.4
95.04986	2.5
95.08607	100.0
96.08876	1.7
97.06535	17.3
97.10164	6.7
99.08092	4.0
102.73225	1.4
105.07026	16.1
105.57826	1.4
107.08584	6.0
109.06521	2.8
109.10148	13.3
111.08082	5.6
113.05994	1.3
113.09618	1.7
119.04941	1.8
119.07273	1.3
119.08579	24.2
121.10159	3.5
123.08077	6.7
133.10124	13.3
135.11720	7.2
137.09575	3.2
137.13266	7.3
142.75375	1.3
151.11278	1.4
152.07079	1.4
161.13260	30.2
179.14308	15.3
197.15373	2.5
250.40318	1.6
253.18013	2.2
271.05923	10.4
271.19034	55.1
272.19229	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	272.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.5
57.03442	0.8
58.06597	0.3
63.04675	0.2
70.06602	2.1
70.54841	0.6
71.04992	0.3
72.08157	100.0
73.08504	1.6
79.05501	0.6
81.07062	0.8
84.08163	0.9
86.09711	0.3
87.04471	1.3
93.07042	0.3
95.08624	0.7
96.08127	1.1
97.06538	0.7
104.05270	0.3
107.08599	0.5
110.09664	0.4
112.77531	0.3
114.09141	1.6
115.03938	0.8
124.11218	2.6
125.06036	0.3
130.01154	0.2
131.08591	0.3
135.08012	0.5
149.09599	0.4
153.09134	1.0
166.93193	0.3
167.10654	0.3
209.11812	0.5
212.71007	0.3
236.16434	0.4
254.17549	2.8
272.18561	66.0
273.18903	2.7
289.68427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.05033	0.3
62.52250	0.2
69.07069	1.1
70.06609	0.3
70.32444	0.6
79.05496	4.1
80.05026	0.3
81.05811	1.2
94.06567	2.0
96.08131	37.2
97.06519	0.6
97.08463	0.8
104.77386	0.2
114.09167	100.0
115.09493	1.6
133.53317	0.2
254.17549	0.6
272.18558	28.8
273.18900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.222
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
55.05502	2.8
56.05035	1.3
56.96542	0.9
57.03440	1.4
58.06597	3.4
67.05510	4.4
69.07060	3.0
70.06593	23.7
71.28622	1.3
72.08156	5.3
79.05478	3.0
81.07063	10.9
81.17171	0.8
83.04990	0.9
83.08607	1.5
84.08138	3.2
86.09699	1.0
91.05447	1.4
93.07037	2.4
95.08617	8.2
96.08138	0.9
96.08953	1.0
98.09694	1.4
98.97581	2.4
105.07040	1.9
107.08585	2.2
107.54356	0.9
109.10117	1.6
112.08725	1.1
114.09168	1.5
116.98651	1.4
121.10131	1.5
121.99876	0.8
123.08058	0.9
123.11691	1.2
134.99626	1.5
147.52126	0.8
153.01775	1.2
197.17841	0.9
222.18550	10.4
236.19975	1.3
254.21143	51.9
255.21486	2.5
272.06332	2.6
272.19281	3.3
272.22195	100.0
273.07346	1.0
273.22552	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	272.2218
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
50.65775	0.3
55.05508	1.8
56.05033	1.9
57.03433	1.7
58.06597	4.8
58.23159	0.3
65.03941	0.3
67.05495	2.6
69.03406	0.5
69.07056	2.2
69.44173	1.8
70.06585	4.1
70.24243	0.3
71.04984	0.9
71.07350	0.8
72.08154	3.4
73.86713	0.3
79.05479	1.3
81.03394	0.5
81.07053	6.2
83.08595	1.0
84.08138	8.9
85.02879	0.4
85.06531	0.8
86.09697	0.8
88.07636	0.6
91.05473	0.8
93.07029	1.4
95.08589	3.7
96.08122	0.7
97.06554	0.5
98.09682	1.0
98.22675	0.7
99.04438	0.9
99.12323	0.3
100.04744	0.6
105.06981	0.8
107.08597	0.6
109.02886	0.6
109.06485	0.6
109.10154	1.1
110.03201	0.8
110.09666	0.3
111.04416	0.3
112.11214	0.9
116.22106	0.3
119.08554	0.6
121.10144	0.6
123.11694	0.7
127.03896	0.9
128.04218	0.7
130.06491	0.5
133.10123	0.7
144.08096	0.9
145.07571	0.4
149.13399	0.5
159.09138	0.5
187.08530	0.4
219.20302	0.3
236.20073	3.6
254.21144	29.5
255.14928	0.3
255.21541	1.0
256.99182	0.3
272.22186	100.0
273.22525	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	272.222
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
53.03939	0.5
54.62447	0.3
55.01871	0.6
55.05265	0.5
55.05511	5.2
56.05029	1.3
57.03427	1.2
58.06597	3.4
58.26378	0.3
65.74528	0.5
67.05176	0.5
67.05502	5.3
69.03426	0.6
69.07072	4.6
69.48653	1.8
70.06595	17.4
71.04990	1.1
71.06908	0.3
72.08155	13.1
74.06091	0.4
79.05493	1.7
81.03408	0.4
81.07060	8.2
82.06573	0.4
83.04980	0.6
83.08606	1.8
84.04513	0.8
84.08134	1.3
85.02926	0.7
85.06570	0.5
86.09708	2.8
91.05479	1.2
93.07027	2.6
95.04990	0.5
95.08610	8.4
96.08122	0.9
97.02890	0.4
97.06519	1.1
97.10168	0.6
98.09719	1.7
99.04468	0.8
100.04797	0.7
105.07036	0.7
107.08601	1.4
109.02888	0.5
109.10154	3.1
110.03217	0.5
111.08041	0.4
114.09200	0.6
116.07104	0.4
116.98670	0.4
119.04931	0.4
119.08583	0.7
121.10160	1.0
123.08107	0.4
123.11602	0.4
124.11230	0.5
125.09644	0.5
127.03926	0.5
128.04254	0.8
132.08102	0.5
133.10162	0.8
135.11707	0.9
137.09543	0.5
142.98695	0.4
144.08083	0.4
145.10066	0.5
147.04413	0.8
152.07068	0.8
153.01805	2.5
154.12328	0.7
236.20087	14.9
248.00323	0.3
254.21153	49.3
255.21478	2.2
272.06335	5.3
272.22198	100.0
273.07663	1.7
273.22540	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	272.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05321	0.9
55.05517	10.7
57.07083	11.4
58.06607	5.6
62.06098	1.7
67.05537	1.0
69.07072	11.8
69.81964	0.9
71.08643	4.8
72.08143	2.9
81.03423	1.2
83.08632	8.0
85.10171	2.1
95.08621	1.4
97.10179	5.6
105.06979	1.1
111.11745	2.9
156.41733	0.9
229.74875	0.9
254.28439	100.0
255.28825	3.3
272.06396	1.2
272.18427	1.4
272.26404	2.0
272.29480	37.3
273.29822	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	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04665	0.4
51.02380	0.3
53.03953	0.3
55.01866	0.4
55.05507	0.5
57.03442	0.2
59.15266	0.2
65.03963	0.3
66.87281	0.2
67.01868	7.1
67.02228	0.3
67.05494	0.7
68.99788	3.0
69.03425	2.1
69.07066	0.6
70.06595	0.7
71.29638	0.3
71.30023	0.3
72.08155	0.7
73.08536	0.2
79.05490	0.6
81.03405	0.6
81.07060	0.7
83.01345	0.6
83.04996	0.4
84.08147	0.5
85.02867	0.6
85.06594	0.2
86.09712	2.0
91.05478	6.4
93.07037	1.1
95.04960	2.2
95.08602	0.7
97.02873	1.5
97.06555	0.4
98.97588	0.6
99.04432	0.3
101.58273	0.2
105.07011	1.0
107.04962	2.7
107.08631	0.4
109.06481	0.4
109.10162	0.6
111.00819	0.5
111.04443	0.8
117.07040	0.6
119.04944	14.0
119.08582	0.8
121.02840	0.5
121.06502	1.6
121.10130	0.6
123.04427	3.1
125.02348	0.9
127.03964	0.5
128.06177	0.2
129.01854	0.5
129.07019	0.3
131.08562	0.7
132.10233	0.4
133.10120	0.5
135.08009	0.3
143.08594	0.6
145.10104	1.0
145.57350	0.3
147.04410	35.8
147.11719	0.3
148.04755	0.6
151.03873	0.7
153.01823	100.0
154.02148	1.4
157.10101	0.5
159.11765	0.3
159.37819	0.2
161.09592	0.3
161.13184	0.2
171.02884	20.1
172.03239	0.5
179.03395	1.7
189.05539	0.5
207.06456	0.2
215.14279	0.4
227.18091	0.2
231.06592	0.5
255.06512	0.5
273.07571	56.6
273.18542	2.0
273.25702	0.4
274.07886	1.9
274.10608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04665	0.4
51.02380	0.3
53.03953	0.3
55.01866	0.4
55.05507	0.5
57.03442	0.2
59.15266	0.2
65.03963	0.3
66.87281	0.2
67.01868	7.1
67.02228	0.3
67.05494	0.7
68.99788	3.0
69.03425	2.1
69.07066	0.6
70.06595	0.7
71.29638	0.3
71.30023	0.3
72.08155	0.7
73.08536	0.2
79.05490	0.6
81.03405	0.6
81.07060	0.7
83.01345	0.6
83.04996	0.4
84.08147	0.5
85.02867	0.6
85.06594	0.2
86.09712	2.0
91.05478	6.4
93.07037	1.1
95.04960	2.2
95.08602	0.7
97.02873	1.5
97.06555	0.4
98.97588	0.6
99.04432	0.3
101.58273	0.2
105.07011	1.0
107.04962	2.7
107.08631	0.4
109.06481	0.4
109.10162	0.6
111.00819	0.5
111.04443	0.8
117.07040	0.6
119.04944	14.0
119.08582	0.8
121.02840	0.5
121.06502	1.6
121.10130	0.6
123.04427	3.1
125.02348	0.9
127.03964	0.5
128.06177	0.2
129.01854	0.5
129.07019	0.3
131.08562	0.7
132.10233	0.4
133.10120	0.5
135.08009	0.3
143.08594	0.6
145.10104	1.0
145.57350	0.3
147.04410	35.8
147.11719	0.3
148.04755	0.6
151.03873	0.7
153.01823	100.0
154.02148	1.4
157.10101	0.5
159.11765	0.3
159.37819	0.2
161.09592	0.3
161.13184	0.2
171.02884	20.1
172.03239	0.5
179.03395	1.7
189.05539	0.5
207.06456	0.2
215.14279	0.4
227.18091	0.2
231.06592	0.5
255.06512	0.5
273.07571	56.6
273.18542	2.0
273.25702	0.4
274.07886	1.9
274.10608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05509	1.7
65.03942	1.7
67.01859	8.4
68.99795	5.7
69.03452	1.3
69.07056	1.9
69.21456	9.4
70.06584	5.1
81.07045	3.1
83.04965	1.6
84.08125	1.8
91.05473	5.7
95.04952	1.5
97.02897	1.8
98.97583	6.8
107.04932	3.8
109.10113	1.3
111.04400	1.8
116.08909	1.4
116.98611	5.4
117.69973	1.2
119.04939	9.8
121.06528	2.1
123.04450	3.1
131.79507	1.4
134.99678	3.2
147.04414	26.2
153.01834	100.0
154.02187	1.7
171.02896	32.9
171.04375	1.9
236.20035	2.8
254.21152	8.6
255.21469	4.5
272.22235	13.4
273.07599	56.1
273.19592	1.6
273.22522	10.8
274.07916	1.9
290.94635	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	273.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86984	1.9
53.03936	5.2
55.01862	6.5
55.05513	15.7
56.05037	11.8
57.03433	2.0
58.99581	9.5
61.01149	6.6
67.05509	8.4
68.05032	4.6
69.07056	6.1
70.06588	5.3
71.04995	1.9
72.08152	3.5
74.00659	3.1
76.02214	2.4
79.05493	42.3
80.05014	8.7
81.07059	45.5
82.06582	13.4
83.04974	5.2
83.08618	4.0
83.74878	2.1
84.08134	6.4
85.01128	71.5
85.06499	2.1
86.00658	37.2
86.82156	2.1
86.99051	1.9
88.02246	4.0
90.05542	6.1
91.05474	13.2
93.05762	3.2
93.07031	14.9
94.06569	10.0
95.04993	4.3
95.08612	11.2
96.08146	14.0
97.01119	6.1
97.08930	10.7
98.05492	3.2
98.06065	32.4
98.09699	35.1
98.23386	3.6
99.04475	2.8
99.05582	8.7
105.07018	21.5
107.08597	6.8
108.08118	5.7
109.06537	3.6
109.08888	5.2
109.10156	3.9
110.09667	7.8
111.02695	3.8
111.04469	2.7
113.04232	75.1
116.98595	2.8
117.07027	4.4
119.08583	11.4
121.10098	3.9
122.09689	21.6
123.08082	3.4
123.10364	4.1
124.11193	4.3
126.05531	13.1
128.06213	2.5
129.07018	5.3
130.03233	20.5
130.07697	2.2
131.08572	12.9
133.10147	5.6
135.08076	5.0
135.11659	4.1
139.05714	7.6
141.06999	2.2
143.08559	10.4
144.06551	38.5
145.10095	14.0
147.08060	4.7
147.11703	5.1
149.09761	2.4
156.08423	100.0
157.04294	3.2
157.10124	9.2
158.02747	4.3
159.08037	3.8
159.11702	5.5
161.09599	4.3
163.14902	2.1
169.10138	3.0
170.11786	23.8
171.11716	8.1
173.09637	4.4
176.03806	7.5
185.13246	3.0
187.11041	2.5
189.12738	2.6
191.04836	10.3
195.11685	5.0
197.09615	6.7
197.13414	2.7
199.11104	3.0
203.04942	5.7
213.16411	2.8
215.14276	5.3
237.16333	4.4
245.09871	2.4
245.18910	2.4
255.17474	9.5
256.10007	12.9
273.08191	2.5
273.12680	56.1
273.15494	4.5
273.18546	36.6
273.21597	4.5
273.25693	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.30199	1.6
53.03943	2.6
55.05502	7.5
55.54887	1.9
57.07066	5.4
59.05006	1.8
60.97009	1.6
67.05501	7.2
69.07058	8.2
69.53539	3.6
69.53930	4.5
70.06578	4.6
71.04986	2.9
72.08154	2.0
79.05499	12.2
81.07051	13.0
83.04989	2.0
83.08611	3.9
84.08122	4.3
85.06537	4.1
86.09748	1.9
91.05475	17.7
93.07026	14.3
95.04972	4.3
95.08585	8.1
97.06525	2.8
97.10174	2.0
98.22683	3.7
98.97568	3.3
103.05479	2.2
105.07023	28.5
107.08598	11.7
109.06520	19.3
109.10161	7.7
111.08079	3.3
115.05467	1.9
116.98587	1.8
117.07032	11.4
119.08572	25.1
121.06513	3.5
121.10140	9.2
123.08048	3.7
123.11665	1.7
128.06212	4.3
129.07021	8.1
129.10231	2.4
130.07799	2.6
131.08562	21.4
131.85751	1.9
133.06509	6.0
133.10127	13.9
135.08049	9.5
135.11723	2.2
137.09608	2.1
141.06969	5.8
142.07779	10.9
143.08556	25.2
144.09308	2.6
144.57423	1.9
145.10112	28.2
147.08067	5.8
147.11676	11.9
149.09637	4.4
149.13268	2.3
153.06993	2.1
154.07736	2.3
155.08525	16.1
156.09370	13.4
157.10120	27.4
158.07191	2.7
158.10928	2.5
159.08052	4.9
159.10568	1.7
159.11673	11.8
161.09639	7.2
161.13275	1.9
163.11087	3.1
165.06979	6.0
166.07777	3.1
167.08601	5.7
168.09335	2.3
169.10136	22.4
170.10905	6.3
171.11684	27.2
172.12373	2.7
173.09659	18.2
173.13232	8.6
174.10472	2.7
175.11203	8.1
179.08556	1.9
180.09326	4.4
181.10066	10.0
182.10971	12.2
183.11693	12.4
184.12448	2.7
185.09607	4.1
185.13258	9.5
187.11279	2.5
187.14738	2.3
189.12784	17.2
191.10803	1.6
193.10106	4.2
195.11636	10.6
196.12469	6.3
197.13249	40.5
198.13983	5.4
199.11162	18.0
199.14754	2.5
207.11707	5.7
208.12430	2.3
209.13281	3.5
211.14838	21.2
212.15559	14.7
213.12730	4.5
213.16354	26.4
214.13512	2.3
215.14290	12.4
217.12169	3.4
222.13937	2.6
225.12762	6.2
227.14322	12.6
227.17973	2.5
229.15919	8.8
230.16624	2.6
231.17461	4.9
237.16371	9.1
240.15068	4.3
243.13751	2.3
255.17427	59.5
256.17966	2.1
273.18478	100.0
274.18826	7.1
284.73358	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.06346	1.1
53.03949	1.6
55.01862	1.5
55.05507	6.4
57.03429	1.1
57.07065	2.6
59.04976	1.5
67.05502	8.7
69.07066	7.5
69.79073	2.5
69.79465	2.7
70.06557	1.9
71.04995	2.9
72.08150	2.3
72.92212	1.1
73.73009	1.1
77.92043	1.0
79.05494	11.4
81.07049	11.6
83.04982	2.7
83.08605	2.2
84.08149	2.0
85.06527	4.5
86.09642	1.4
91.05473	13.9
93.07039	11.6
93.07573	1.7
93.08394	1.2
95.04948	4.0
95.08595	8.2
97.10183	1.2
98.97576	1.7
99.04475	1.4
105.07028	24.4
107.04976	1.2
107.08590	15.8
107.48314	1.2
109.06512	20.8
109.10157	5.0
109.20706	1.2
111.04408	1.4
111.08064	2.4
113.45885	1.0
115.05455	2.7
116.06248	2.1
116.98656	1.3
117.07007	8.6
119.08575	24.3
121.06502	2.4
121.10140	11.3
123.08062	3.8
123.11662	1.4
128.06221	5.3
129.07004	10.8
130.07788	3.8
131.08572	16.0
133.06503	9.2
133.10117	9.2
135.08037	7.6
135.11713	1.9
137.09566	1.9
141.07007	5.7
142.07773	9.8
142.36484	1.1
143.08536	17.2
144.09308	3.2
145.10124	21.8
147.04424	1.4
147.08034	3.3
147.11703	11.1
149.09612	5.1
151.11241	1.0
153.01793	3.3
153.06984	2.0
154.07764	1.7
155.08546	12.2
156.08220	1.1
156.09358	13.0
157.10118	28.3
158.07227	1.2
158.10777	2.1
159.08064	4.2
159.11679	12.0
161.09662	6.8
161.13202	1.6
163.11232	1.4
165.07007	4.0
166.07779	2.5
167.08580	5.0
168.09283	3.1
169.10118	18.6
170.10870	5.4
171.07970	1.4
171.11685	27.0
172.12321	2.6
173.09612	17.5
173.13289	6.6
174.10399	2.2
175.11136	10.5
179.08582	2.8
180.09334	1.4
181.10110	9.7
182.10922	9.0
183.11687	11.6
184.08914	1.3
184.12505	1.5
185.09685	4.2
185.13255	9.7
187.11162	4.2
187.14833	3.0
189.12726	15.1
193.10109	3.0
194.10966	1.3
195.11685	10.1
196.12401	6.2
197.09583	1.7
197.13260	40.7
198.13869	4.0
199.11153	16.9
199.14825	3.0
200.11833	1.3
201.12628	1.5
201.16385	2.3
207.11716	4.2
208.12376	2.6
209.13257	4.7
211.11238	1.2
211.14827	14.1
212.12029	1.3
212.15590	12.0
213.12871	5.6
213.16359	23.1
214.13478	2.4
214.16670	2.0
215.14339	10.9
217.12306	3.3
222.14012	3.7
225.12769	4.6
226.13512	1.2
227.14331	11.3
227.17899	2.7
229.15909	9.0
230.16576	2.4
231.17487	5.7
237.16229	7.3
240.15105	3.4
255.17429	55.8
255.25140	4.4
256.17889	1.9
273.06961	3.5
273.12311	3.2
273.18481	100.0
273.26089	8.1
274.18710	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05508	5.5
57.07069	2.2
60.04624	1.3
67.05501	9.1
69.07062	6.5
71.04990	10.5
71.08624	1.1
72.52516	1.1
79.05482	7.0
81.07059	30.0
83.08610	3.9
85.06535	3.5
91.05492	7.2
93.07038	18.0
95.04980	3.4
95.08042	2.3
95.08610	20.7
97.10188	1.8
105.07043	25.1
107.08598	19.8
109.06522	4.0
109.10167	12.3
111.08088	8.5
113.09621	7.4
117.07008	4.6
119.08583	45.6
121.10145	16.7
123.11742	9.6
128.06091	1.6
131.08566	15.0
133.10138	10.0
135.11700	5.4
137.09592	2.1
137.13202	1.3
142.07726	1.5
143.08565	6.7
144.09383	1.7
145.10146	20.5
147.11684	9.8
149.13199	7.1
151.11198	2.1
156.09344	1.5
157.10123	10.3
159.11711	39.4
161.13239	12.6
163.11174	1.7
163.14874	3.4
171.11658	9.5
173.13269	15.6
175.14836	5.2
177.12743	7.4
179.14259	2.2
185.13297	9.7
187.14859	5.0
189.12650	1.3
189.16339	4.4
197.13257	2.3
199.14833	13.7
203.14180	1.3
203.17978	2.3
213.16437	9.2
215.17949	54.5
216.18320	2.4
217.15926	3.1
227.17970	2.7
229.19466	11.1
231.21080	1.8
243.11761	8.0
244.12355	1.7
255.21083	45.5
255.28731	1.9
256.21460	2.8
258.14069	4.6
259.14545	1.6
273.16357	7.2
273.22131	100.0
274.22531	5.2
274.27356	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	274.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80812	0.6
53.78172	0.6
55.05513	3.1
55.90359	0.6
56.05014	2.6
58.06576	1.8
60.05638	2.9
61.95554	0.6
66.45486	0.5
67.05475	1.9
69.07043	1.7
70.06595	14.0
70.34296	2.1
71.04975	0.7
72.07761	0.7
72.08153	11.6
79.05471	2.5
81.07046	2.3
83.06099	0.8
84.04501	69.4
84.08140	3.4
86.09703	89.9
86.45959	0.7
87.04469	0.7
87.10036	0.8
93.07031	1.2
96.08150	4.1
97.06511	1.7
97.25161	0.6
98.06020	0.6
98.09665	0.9
101.07139	4.1
105.40160	0.6
107.08608	1.2
112.08726	0.9
114.09140	3.8
116.07085	9.0
120.08078	0.6
121.10121	1.0
123.28912	0.6
129.10213	0.8
131.11807	4.1
142.09775	1.6
143.08194	2.3
144.06552	100.0
145.06927	1.2
157.13429	1.0
158.09271	1.3
161.09212	88.2
162.09547	1.3
175.11908	5.2
183.11244	0.7
194.19110	1.9
196.16975	4.5
214.18085	0.8
220.17076	2.1
225.12411	0.9
238.17982	7.6
238.19933	0.7
240.12448	2.3
242.15099	1.0
256.19061	11.7
256.21494	0.9
257.14899	7.7
274.17920	6.0
274.20346	40.3
275.20563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05514	5.4
56.05026	0.8
57.03434	0.9
58.06604	2.2
59.86021	0.4
60.05650	0.9
62.03740	0.5
67.05508	4.3
69.07058	1.7
70.06597	7.6
70.87148	1.1
71.05004	0.9
72.08163	8.2
72.93772	0.5
74.06085	0.8
79.05499	4.5
81.06596	0.5
81.07061	7.5
82.06579	2.9
83.04976	0.9
84.04507	2.1
84.08154	2.8
85.06544	0.6
85.08911	0.8
86.09715	8.3
87.04465	1.6
91.05482	1.4
93.07053	3.3
94.06585	1.3
95.08605	1.6
96.08134	13.7
97.06522	0.6
97.08927	1.9
98.09706	2.0
100.07607	1.1
101.07083	0.5
105.07052	1.5
107.08597	1.6
108.08168	0.5
109.06538	1.2
110.09707	0.9
111.08067	0.7
113.92765	0.5
114.09173	9.9
115.09453	0.4
116.07115	0.9
119.08643	2.3
121.10163	2.3
122.09660	1.2
123.08061	0.6
124.11232	0.7
133.10150	1.5
135.08075	0.5
135.11682	1.9
136.11234	1.0
137.09592	0.9
144.06581	1.8
145.10147	0.5
147.11690	0.9
151.11250	0.6
157.13347	2.4
161.09180	2.3
161.13049	0.6
163.11180	0.7
175.12007	1.3
185.12961	0.8
192.17590	0.6
193.12392	0.6
194.19080	0.9
196.16992	4.2
220.16960	4.5
238.18022	24.4
239.18352	1.1
256.19092	28.5
257.19403	1.1
274.20160	100.0
275.20453	4.1
291.44943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2012
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
50.77332	0.6
55.01871	1.7
55.05521	0.8
55.20714	0.6
56.05045	0.8
57.03443	3.7
58.06604	6.2
67.05499	2.5
69.07066	1.2
70.06593	4.5
71.04988	1.6
71.07377	0.9
72.08157	21.1
75.04476	0.6
79.05500	4.7
81.07059	19.8
83.04964	0.8
84.04510	2.6
84.08154	5.4
85.08919	3.6
86.09707	9.7
87.04472	9.5
87.42086	0.6
91.05478	2.1
93.07050	2.6
95.04970	1.0
95.08605	2.4
96.08153	1.2
97.06532	2.1
98.09691	1.1
98.73817	0.6
99.04394	0.6
99.08092	1.0
102.05550	0.8
105.07026	3.1
107.08624	1.1
109.06508	0.6
111.08064	2.4
112.82121	0.7
113.06001	1.4
114.09175	1.3
115.03923	3.7
119.08588	3.4
121.06538	0.7
125.06036	1.5
125.09614	1.3
131.08554	1.0
133.10135	3.7
135.08087	1.2
137.09579	2.9
144.06602	1.8
147.11684	1.8
151.11182	3.1
151.85550	0.6
153.09120	0.9
157.10129	1.3
162.07599	3.2
165.12766	1.7
175.11064	2.7
193.12239	4.1
194.19046	0.6
196.16974	1.3
211.13362	1.7
220.17061	0.8
233.37334	0.6
238.17906	2.7
248.08134	0.7
256.19077	55.9
257.19489	1.4
263.51694	0.6
274.20135	100.0
274.41333	0.6
275.16025	0.7
275.20551	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	274.2012
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
55.05517	3.9
56.05039	3.0
57.03427	0.8
58.02959	0.4
58.06599	9.4
59.05011	0.4
67.05500	3.8
69.07059	1.5
69.58769	1.9
70.06586	1.8
71.05000	0.7
71.07371	0.4
72.08163	2.7
73.08485	0.6
79.05489	5.0
81.06584	0.7
81.07056	12.5
82.06567	0.9
83.04971	2.6
83.08640	0.6
84.04494	0.5
84.08138	1.5
91.03619	0.4
91.05469	2.3
93.07056	4.1
94.06579	1.4
95.04968	0.6
95.08601	4.6
96.08132	1.1
97.06535	1.1
98.97556	0.8
101.06020	3.3
105.07019	1.8
107.08595	2.1
108.08115	0.7
109.06491	0.5
109.10169	1.3
110.09677	1.4
111.04460	3.2
117.06995	0.5
119.08601	2.4
121.10155	1.4
123.08075	0.7
127.07508	0.5
129.05461	1.3
131.08522	1.1
133.10117	1.6
135.11714	0.6
136.11292	0.5
145.10138	1.0
145.56139	0.4
147.11661	0.8
154.12294	0.8
161.13292	3.2
171.11726	0.7
189.12715	2.1
194.15442	2.4
194.19067	1.3
207.13818	1.5
212.16423	3.9
220.16968	5.7
225.14970	0.7
238.18016	21.5
239.18381	1.0
256.19077	25.9
257.19293	0.5
274.20120	100.0
275.20395	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	274.2014
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
55.05516	3.0
56.05041	2.8
56.96555	0.5
58.06611	0.6
60.04536	3.7
65.03949	0.7
66.24059	0.6
67.05510	6.1
68.05029	1.5
69.07077	3.7
69.07397	0.7
69.65832	2.1
70.06595	3.5
71.04985	1.5
72.04514	0.9
72.08151	1.6
74.06078	0.9
79.05502	5.0
80.05035	0.6
80.54163	0.4
81.07063	9.8
82.06590	2.8
83.04967	0.7
83.08624	2.2
84.08161	1.3
86.06091	2.9
87.04493	0.5
88.26438	0.5
91.05486	3.4
93.07038	4.3
94.06587	2.1
95.04945	0.5
95.08608	6.0
96.08146	3.6
97.06552	0.8
98.97590	1.9
99.08086	0.5
105.07044	2.4
107.08618	2.5
108.08103	1.1
109.06513	0.5
109.10172	1.8
110.09690	0.7
111.08109	0.4
112.07683	0.5
114.09179	1.5
115.70604	0.5
116.98617	1.3
117.07009	0.9
119.08611	2.3
121.10170	0.7
122.09697	0.8
123.08075	0.7
123.11679	0.5
131.08701	0.4
132.08122	0.5
133.10152	1.3
134.99638	0.9
143.07007	0.5
143.08540	0.5
147.11699	0.7
161.13205	0.5
168.13916	0.5
175.14799	0.6
186.14922	1.2
194.15407	3.8
208.17029	0.7
212.16441	4.7
220.17003	6.4
238.18036	15.9
256.19104	40.6
257.19424	0.9
274.20154	100.0
274.97507	1.0
275.20569	3.9
290.64859	0.5
292.98495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.4
56.05005	1.7
56.96566	2.6
57.03416	1.0
58.06570	1.8
60.05647	7.4
63.53852	0.5
67.05489	1.5
69.07063	1.4
70.06592	26.1
71.04977	1.0
71.06928	0.8
71.28564	0.7
72.08157	25.2
74.06055	0.6
79.05483	0.7
81.07052	1.9
82.06580	0.9
84.04503	0.8
84.08142	100.0
85.08466	1.2
85.08939	0.7
86.09705	49.4
87.04444	1.3
87.10033	0.9
91.05459	0.8
93.07054	1.4
95.04987	0.8
95.06123	0.8
96.08148	2.3
98.09711	0.7
98.97583	12.3
98.98183	0.8
102.09196	0.7
107.08587	0.7
111.09229	1.3
112.07623	0.9
112.07974	0.6
112.08727	4.6
113.07233	0.5
114.09222	1.9
114.10367	0.8
115.08738	1.6
116.07083	5.6
116.98610	6.1
129.10239	28.3
130.08794	0.7
130.09854	1.6
133.10181	0.8
134.99727	0.8
135.08250	0.5
142.09741	2.8
143.08272	0.6
143.11842	0.9
144.10196	58.7
145.10580	1.1
157.13486	1.0
158.09189	3.0
161.12849	47.7
162.13255	0.7
169.05136	0.9
169.15076	0.6
171.11455	1.2
175.11922	14.2
185.12976	0.7
196.17166	1.2
196.36841	0.6
197.16696	1.1
215.14185	0.9
220.17223	1.0
224.17894	0.7
225.16264	0.6
238.18063	2.7
239.15292	0.8
242.19023	2.4
245.08423	1.0
256.15952	1.5
256.19650	8.3
256.96796	1.2
257.16495	2.8
257.19025	1.6
274.09451	0.9
274.14444	2.3
274.19049	3.0
274.21527	36.7
274.47937	0.5
274.98041	7.2
275.19232	0.6
275.21970	1.3
292.99179	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	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89945	0.6
53.03969	0.6
55.05509	6.0
56.05028	2.0
56.96567	16.4
57.03454	0.8
57.73674	0.6
58.06599	2.3
60.04525	1.4
60.05650	8.3
67.05520	1.4
67.23164	0.6
69.03406	0.9
70.06596	34.8
70.95857	1.5
70.98127	4.6
71.04997	0.7
71.06919	2.5
71.20641	1.5
71.95259	3.2
72.08156	54.1
73.08485	4.2
74.06087	1.7
81.07057	1.4
83.06124	1.1
83.30282	0.8
84.04507	2.2
84.08143	30.4
86.09707	7.4
88.99147	1.5
89.96366	0.7
91.05478	1.0
95.04949	1.8
95.06072	1.6
95.08628	0.8
96.08146	1.4
97.07671	0.9
98.06051	1.5
98.09688	0.9
98.97586	100.0
100.07635	0.9
101.00884	3.1
101.10769	1.7
108.08101	0.8
110.07186	1.6
111.04405	0.9
112.08736	4.2
112.11331	0.9
113.00845	1.0
113.07117	1.9
114.09164	0.9
115.08714	2.7
116.07079	6.2
116.98624	48.8
119.01931	6.4
120.08133	1.7
121.02839	0.7
125.07103	1.1
126.09180	1.0
128.98610	1.1
129.10243	8.6
130.08655	3.0
130.09746	2.4
130.93306	1.0
131.01909	3.8
134.99664	17.0
135.00548	0.8
136.07555	0.8
138.04230	0.6
140.00204	0.8
142.09746	1.8
143.01874	1.9
143.08220	0.7
144.10213	2.5
145.03488	1.7
146.99641	2.0
147.04378	1.1
147.11296	1.7
152.10699	0.8
153.00725	1.1
154.96532	1.0
155.01913	1.6
157.03470	0.7
157.10884	1.1
157.13326	0.9
158.09268	4.8
159.05045	1.1
161.02980	2.0
163.03979	0.8
165.00690	0.8
169.04944	0.8
171.14941	8.1
172.15326	1.0
172.94322	4.5
172.97586	3.4
173.03004	2.0
174.99124	1.3
175.10832	1.1
175.11942	16.9
176.12297	1.5
176.97464	1.3
177.02443	0.9
185.02962	1.8
185.06644	1.2
190.95345	4.2
190.98636	5.8
193.00209	1.6
196.16985	0.8
199.14479	2.4
203.02454	1.1
203.04085	1.7
208.96068	1.9
208.99747	1.3
213.02411	1.0
214.95493	2.3
218.98267	1.1
219.02145	1.0
221.03233	0.8
221.05037	1.7
228.18636	0.8
231.03598	0.9
232.96382	6.7
232.99553	3.5
234.10297	0.7
239.14857	0.7
250.97366	3.9
251.00504	1.4
256.19119	1.9
256.96405	10.8
257.05106	1.2
257.16061	4.0
257.19205	0.8
258.14355	1.3
261.03012	1.4
274.18500	24.5
274.97476	71.6
275.06165	2.0
275.11008	69.4
275.18893	6.0
275.21143	0.9
275.97635	1.4
276.11176	1.2
276.16745	1.2
292.98535	41.4
293.03503	1.7
297.99094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99867	2.6
70.06599	3.9
70.95756	0.9
70.96094	0.7
71.04981	0.9
71.56377	0.6
72.08149	2.8
79.05505	1.0
81.03442	0.7
81.07077	0.9
81.78982	0.7
82.99850	2.7
83.06087	1.2
84.04497	2.1
84.08140	8.8
85.01408	1.3
85.02876	0.9
92.73925	0.6
93.07059	0.7
94.06564	1.3
96.08169	0.8
99.02966	1.2
101.00878	37.5
102.00985	1.4
103.02459	3.4
109.01450	0.6
113.00036	8.8
113.00794	0.8
116.07139	0.9
117.04001	7.9
119.01923	100.0
120.02011	3.8
121.03474	1.3
124.02476	0.7
127.02408	7.1
129.00349	1.1
129.10242	2.3
131.01924	3.6
135.05020	3.8
137.02960	23.4
138.05504	7.4
140.82263	0.6
141.03958	2.5
142.03502	1.3
143.01913	4.1
144.99844	1.6
145.03468	40.7
146.03662	1.2
147.01389	2.4
147.07637	1.0
149.02899	0.9
155.01903	2.9
157.03503	1.1
159.05034	37.4
160.05180	1.5
161.02968	4.8
163.04532	11.3
163.64844	0.6
165.02481	0.7
167.01962	1.0
169.03479	7.6
171.01396	4.6
172.99396	1.2
173.02948	4.8
175.11983	0.8
177.06105	13.2
178.06198	0.8
179.03992	1.7
185.02962	7.5
187.00957	1.8
187.04518	21.3
187.06168	1.6
188.04622	0.6
189.00699	0.8
189.02441	16.8
191.00406	1.3
195.01308	1.4
203.04022	13.1
204.04257	1.0
205.01978	1.3
205.05598	6.5
207.03500	9.1
211.00948	0.9
213.02473	11.5
215.00383	2.0
215.03876	1.2
221.05127	1.3
229.01982	1.6
231.03491	13.4
232.03711	0.9
233.01468	3.0
235.42854	0.7
238.18074	1.3
249.04669	0.9
251.02600	1.1
256.19159	2.4
257.01413	1.3
257.16278	0.9
257.19400	1.3
258.14609	1.1
261.03165	2.4
274.20126	8.5
275.02414	7.0
275.05072	0.8
275.17545	0.9
275.20502	5.6
276.21710	1.9
293.03543	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	275.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.3
58.99858	2.6
69.03432	0.5
70.06593	3.1
70.65508	0.6
72.08148	1.4
73.06505	0.3
77.00897	0.6
82.99835	2.8
83.06123	0.4
84.04492	1.1
84.08143	5.7
85.01411	1.6
86.09720	0.4
88.03979	0.4
99.02951	1.2
101.00877	36.1
102.00978	1.4
103.02448	3.6
112.08754	0.6
116.07088	0.5
117.03992	7.2
118.03462	0.3
119.01916	100.0
120.02001	3.7
120.03250	0.4
121.03472	1.2
127.02407	7.1
129.00394	0.4
129.10249	1.3
130.08603	0.4
135.05048	3.2
137.02951	22.5
138.03098	0.6
138.05508	0.9
141.03947	2.6
142.03508	1.2
143.01891	3.4
144.99754	1.6
145.03456	37.0
146.03613	2.0
147.01376	2.6
159.05028	33.5
160.05219	1.7
161.02951	3.3
163.00908	0.9
163.04512	9.5
165.02487	0.6
168.05075	0.4
169.03481	4.1
171.01395	4.2
172.99316	1.0
175.11870	1.3
176.12173	0.3
177.06084	12.4
177.07648	0.7
178.06227	0.5
179.03978	1.0
182.06679	0.6
185.02951	5.9
187.00916	0.7
187.04517	16.1
188.04709	0.7
189.02441	15.8
190.02589	0.7
191.00362	1.0
195.01282	0.3
203.04007	8.6
203.05823	0.5
204.04089	0.4
204.79480	0.3
205.01981	1.2
205.05539	4.8
207.03500	5.9
208.03712	0.4
211.00914	0.8
213.02440	7.9
213.04376	0.6
215.00313	1.6
221.05161	0.6
229.01857	1.1
231.03479	9.7
231.05707	0.5
233.01476	2.6
239.99821	0.3
249.04572	0.8
251.02513	1.0
257.01346	0.7
258.14459	0.4
275.02420	5.8
275.13501	0.9
275.16913	0.4
276.02859	0.3
293.03503	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	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12667	0.3
55.05521	0.5
56.05052	0.6
56.96302	0.5
56.96566	7.4
60.04524	0.6
60.05655	0.7
67.05520	0.5
69.03428	0.4
69.07054	0.6
69.70734	0.7
69.71130	0.6
69.96178	0.4
70.06594	4.2
70.95851	1.1
71.06925	0.7
71.95274	1.8
72.08158	4.6
72.27871	0.3
73.08479	1.3
83.06102	0.5
84.04507	0.9
84.08147	11.0
86.09705	2.2
97.06543	0.3
98.97585	51.5
99.97928	0.9
101.00868	1.0
110.07148	0.5
112.08710	0.5
113.00850	0.5
116.07069	0.5
116.98623	26.3
119.01932	1.9
120.08115	0.8
129.06618	0.5
129.10243	3.1
130.08607	0.6
130.93311	0.8
131.01895	0.6
133.03461	0.4
134.99663	7.2
140.00168	0.6
143.01865	0.8
143.11778	0.8
145.03471	0.4
147.11244	0.8
153.00703	0.8
155.02019	0.4
157.03523	0.4
161.02939	0.8
161.73756	0.3
169.04913	0.3
172.94344	2.2
173.02959	1.0
173.06549	0.5
174.99112	0.3
175.11934	0.9
176.12199	0.5
176.97423	0.4
177.00899	0.5
185.06624	0.9
190.95322	1.7
190.98634	0.6
208.96104	0.9
214.95419	1.0
219.01991	0.4
221.05122	0.6
221.56577	0.3
223.34053	0.3
230.16483	0.3
232.96336	3.3
250.97304	2.0
256.96429	5.4
258.16599	0.4
274.97495	38.1
275.11014	100.0
275.18680	1.7
275.97739	1.2
276.11435	2.4
276.16983	1.0
276.21613	0.8
284.59271	0.4
292.98541	21.6
293.10849	0.5
293.98892	0.5
297.99051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05514	12.4
67.05504	19.1
69.07056	11.9
69.77524	10.8
73.99715	2.7
79.05497	25.9
80.94881	2.4
81.03387	2.7
81.07052	33.2
83.08590	3.2
88.07598	2.9
91.05479	38.6
93.07039	22.1
95.04950	4.0
95.08602	13.1
98.97569	9.3
105.07033	58.9
107.04962	5.3
107.08591	14.9
109.06523	8.0
109.10149	4.6
113.07977	2.9
116.98600	5.8
117.07002	11.2
119.08567	39.0
121.06482	3.4
121.10155	7.6
123.08137	3.8
131.08580	14.7
133.10138	38.2
135.07997	3.1
135.11710	4.2
137.09610	4.2
139.14064	2.5
145.10129	12.8
147.11665	13.5
149.09579	7.4
149.13229	3.3
157.10118	3.3
159.11705	7.5
161.09718	2.7
161.13216	5.6
163.11154	6.0
173.13246	5.2
188.32356	2.9
197.13205	2.9
215.14737	2.4
229.19582	4.4
233.11630	3.1
239.18040	3.3
254.35599	2.6
257.15811	3.1
257.18976	10.9
258.75937	2.5
274.97504	4.7
275.20062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	1.4
55.01862	3.1
55.05276	1.1
55.05511	13.8
55.40449	0.8
57.03431	2.1
57.07064	1.3
59.93287	0.8
65.03931	1.5
67.05505	18.9
69.06742	0.8
69.07073	9.8
69.77647	1.6
69.78065	2.9
71.04996	1.6
77.48122	0.8
79.05064	1.5
79.05492	22.4
79.83534	0.8
81.07058	22.7
83.04966	2.4
83.08610	5.1
91.05480	38.8
93.07043	19.7
95.04967	5.3
95.08601	12.5
96.08965	0.8
97.06542	4.2
97.10152	1.4
103.05431	1.0
105.07030	53.2
107.04944	3.5
107.08592	17.3
109.06499	5.0
109.10140	6.7
111.08096	1.4
115.05463	1.1
117.07016	10.9
119.08580	32.0
121.06474	3.5
121.10124	9.5
123.08073	3.8
123.11713	2.0
125.09637	1.9
129.06972	3.4
129.36226	0.9
131.08582	13.5
133.06494	1.5
133.10124	36.6
134.10490	1.1
135.08055	3.7
135.11685	3.6
137.09639	3.9
139.11139	1.4
141.07018	0.8
143.08551	2.3
145.10120	12.8
147.08046	1.6
147.11676	17.4
147.12767	1.5
149.09641	7.5
149.13235	2.0
151.11185	3.6
155.08508	1.5
157.10100	3.4
159.11678	7.4
161.09511	1.3
161.13245	4.9
163.11198	6.2
165.09149	1.5
165.12723	3.6
169.10114	2.8
171.11725	2.7
173.09573	1.3
173.13286	3.5
175.11230	2.0
175.14836	1.2
177.12761	2.5
183.11685	2.9
187.11145	1.9
187.14873	1.1
189.12799	1.2
193.12267	1.1
197.13246	2.9
201.12868	1.3
215.14490	0.9
215.17870	1.1
217.15819	1.1
229.19548	4.4
233.15437	1.1
239.17932	8.1
247.20619	3.5
257.18985	9.7
275.20056	100.0
276.20395	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	3.4
55.01870	13.1
55.05273	1.8
55.05514	23.5
57.03429	4.2
57.07069	3.4
58.49170	0.9
65.03934	1.8
67.05502	25.5
69.07062	14.8
71.04980	3.3
71.08614	1.2
71.31596	1.6
72.23804	1.0
79.05492	30.4
79.94183	1.0
81.03425	2.0
81.07052	51.2
83.04987	2.8
83.08611	6.2
85.06573	2.6
91.05477	56.4
93.07043	27.7
95.04951	6.8
95.08605	16.8
97.06532	18.4
97.10168	2.8
103.05464	3.6
105.07027	90.7
106.07339	1.9
107.04951	8.9
107.08584	17.0
109.06510	8.1
109.10153	8.6
111.08096	1.7
111.33064	1.1
115.05418	2.0
117.07030	13.5
119.08582	47.7
120.09031	1.1
121.06528	2.3
121.10140	9.3
123.08062	2.7
123.11687	3.1
129.07002	3.2
131.08562	20.6
133.10127	55.4
134.10463	1.3
135.08051	3.8
135.11676	4.4
137.09625	3.8
141.07018	1.2
143.08545	3.0
145.10100	16.7
147.11684	22.5
149.09607	11.1
149.13271	3.3
151.11197	1.7
155.08521	1.7
155.25681	1.0
157.10133	3.8
159.11693	9.1
161.09590	2.1
161.13220	5.6
163.11171	3.1
165.09077	1.6
169.10059	1.5
171.11705	2.5
173.13293	5.2
175.11151	1.8
175.14920	1.4
177.12776	2.1
179.14272	2.0
183.11725	2.3
187.14830	1.7
193.12186	1.4
197.13217	2.0
201.12709	2.2
201.16470	2.1
203.14340	2.1
215.10666	1.1
219.13855	1.2
219.17450	11.5
229.10855	1.2
229.19571	2.6
239.17905	2.2
247.20557	2.6
257.18939	8.9
275.20056	100.0
275.27719	6.1
276.20337	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03938	3.7
55.01874	7.4
55.05506	16.9
57.03432	4.3
57.07074	2.9
65.03931	2.2
67.05505	31.8
69.03416	2.4
69.07069	12.8
69.57826	6.0
70.06586	3.2
71.04984	4.6
71.08628	1.9
79.05492	38.0
81.03418	2.7
81.07055	71.6
83.04980	6.6
83.08627	8.2
85.06538	1.6
88.07626	4.0
89.07940	1.4
91.05478	46.8
93.07036	30.4
95.04967	9.3
95.08603	22.0
97.06517	6.5
97.10159	2.4
98.02406	3.8
99.04423	2.3
103.05462	1.5
105.04563	1.7
105.07026	51.2
106.08644	1.9
107.04948	15.1
107.08588	19.1
109.06509	20.5
109.10137	8.3
111.08071	4.1
115.05433	2.2
117.07001	12.8
119.08578	34.6
121.06467	9.5
121.10155	12.9
123.08035	6.3
123.11687	4.1
125.09604	1.9
129.07016	3.5
131.08559	19.0
133.06451	3.3
133.10126	31.9
135.08044	10.7
135.11697	6.4
137.09613	7.1
139.11308	1.4
141.06967	1.6
143.08553	3.5
144.10378	1.3
145.10110	13.2
147.08006	1.7
147.11661	19.6
148.83528	1.4
149.09624	11.8
149.13274	4.1
151.11157	3.2
155.08556	1.6
157.10120	5.0
159.08025	2.8
159.11684	12.1
160.88661	1.4
161.09612	5.0
161.13237	6.3
163.11179	6.6
163.14801	1.4
165.12717	2.8
169.10098	3.0
171.11679	3.6
173.09602	2.3
173.13203	3.7
175.11192	3.7
175.14780	1.8
177.12703	3.3
179.10759	1.5
182.11816	1.4
183.11702	2.0
187.11179	2.5
187.14732	3.1
189.12727	1.6
193.12234	2.6
197.13232	2.4
199.14839	1.4
206.75096	1.2
211.14861	1.4
215.14291	2.2
215.17929	1.6
219.13676	1.8
229.19504	5.3
237.46141	1.4
239.17902	4.6
247.20586	3.0
257.19037	10.6
257.26566	1.6
264.95325	1.3
274.27295	2.0
275.20056	100.0
275.27695	32.2
276.20392	3.7
276.80658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
54.40876	2.3
55.01868	4.0
55.05505	12.8
57.07062	6.7
59.04993	3.4
59.27617	2.4
67.05503	20.0
69.07058	11.9
69.24379	17.6
71.04958	3.1
71.08611	2.7
79.05490	23.6
80.94843	4.7
81.07055	32.6
83.04956	3.5
83.08595	7.0
88.07633	8.7
89.07944	5.4
91.05476	47.7
93.07022	19.7
95.04943	4.0
95.08588	12.9
97.06507	3.0
97.10139	2.7
98.23324	5.4
98.97558	7.2
105.07027	56.5
107.04951	4.3
107.08560	13.1
109.06596	3.3
109.10149	3.2
116.98610	4.8
117.06991	10.5
119.08578	34.5
121.06477	5.2
121.10115	6.8
123.11679	3.4
131.08549	12.7
133.10147	46.4
134.99635	4.2
135.08099	5.4
135.11717	3.2
140.22098	2.7
145.10130	14.4
147.11690	17.9
149.09587	6.1
149.13214	3.0
158.09958	4.2
158.17725	3.1
159.11671	8.1
161.13226	5.0
163.11211	4.3
173.13321	4.9
239.17850	6.0
243.31952	2.6
247.20570	3.8
257.19000	9.0
275.20056	100.0
275.24081	10.3
275.27722	24.7
276.20258	2.9
276.25317	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	275.2731
Annotation	Kaurane
Peak:m/z	Relative Intensity
55.05510	16.9
57.07077	11.4
67.05502	32.5
69.07066	31.4
71.08657	7.5
73.74680	1.7
79.05494	13.0
81.07053	98.3
83.08608	15.6
85.10177	3.8
91.05474	5.3
93.07033	19.1
95.08604	100.0
97.10157	8.6
105.07043	6.5
107.08582	24.0
109.10152	56.2
111.11706	7.0
119.08589	4.5
121.10144	14.6
123.11712	25.9
123.16074	1.7
126.13107	1.7
131.08594	2.6
133.13121	1.8
135.11697	11.2
137.13277	11.4
139.10803	1.7
143.24104	2.2
149.13263	10.9
151.14813	6.3
163.14784	8.8
165.16475	2.3
177.16432	1.9
219.21162	3.1
245.13234	5.3
260.15527	3.6
275.17902	7.1
275.20447	4.1
275.27402	48.0
278.02280	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	276.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00668	2.5
54.47306	2.7
55.01860	4.1
55.05513	6.5
56.05037	19.6
57.39831	2.3
58.99591	25.2
61.73619	2.4
67.05501	21.8
69.07053	9.8
69.10754	20.0
70.06596	3.8
72.08142	5.2
73.01138	2.5
74.00653	7.2
76.02218	11.8
79.05492	7.4
81.07056	10.2
83.08602	4.1
84.08129	6.8
85.01138	2.9
86.00658	30.2
86.99045	16.7
87.02696	5.4
88.02219	4.1
88.03993	4.6
91.05489	14.4
93.07030	28.1
95.08618	11.7
97.01123	26.9
97.06527	4.9
98.06010	3.8
99.02675	4.3
105.00075	5.2
106.74847	2.6
107.08594	9.1
109.06507	3.7
109.10178	22.6
110.09628	3.2
114.10278	3.7
117.07056	4.1
119.08572	7.1
125.04202	3.2
131.12903	3.9
132.01140	25.0
132.99535	3.1
135.08052	8.3
137.09634	6.1
151.05774	4.5
154.12242	25.3
161.91101	2.9
169.06816	3.7
172.13335	15.3
177.07472	2.8
195.08372	8.5
205.06972	2.8
212.11041	35.6
213.09477	4.7
223.07777	4.9
230.12123	21.5
246.63463	3.8
258.11606	17.2
259.10004	14.7
273.03140	2.8
276.08707	4.3
276.09402	3.6
276.12653	100.0
276.15399	4.1
291.06543	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	276.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56483	0.6
53.03933	0.8
55.01873	1.6
55.05513	2.4
56.05033	4.9
56.96571	4.8
57.03439	2.6
58.06602	40.3
60.04528	32.9
60.05662	3.7
67.05502	2.0
68.05014	0.8
69.03429	2.5
69.04553	5.5
69.07067	2.9
69.70791	1.2
69.71202	2.8
70.02950	2.1
70.06594	19.2
71.04976	1.7
71.06937	0.7
71.07364	0.8
72.04518	2.3
72.07753	1.6
72.08158	31.4
73.02905	0.8
73.05300	1.9
74.06067	4.3
79.05505	4.2
80.05021	0.7
81.03412	2.7
81.07059	8.1
82.06584	1.4
82.92858	0.7
83.04997	1.6
83.06102	2.2
84.04506	7.7
84.08145	19.0
84.19237	0.7
85.02894	0.9
85.06545	1.2
85.08481	2.0
86.09707	100.0
87.04467	2.8
87.05599	13.8
87.10031	2.5
88.07639	11.4
91.05499	2.2
93.07034	3.4
95.04980	2.1
95.08616	6.6
96.04494	8.0
96.08122	1.7
97.02902	2.5
97.06543	1.8
98.06067	4.4
98.09707	3.7
98.23339	0.9
98.97574	2.7
99.04465	1.6
99.05577	5.3
100.07621	0.8
101.02361	1.0
102.09104	0.7
103.05466	1.5
105.07040	1.4
107.04953	1.1
107.08578	1.8
108.08116	2.2
109.02887	1.7
109.06465	1.1
110.06007	1.0
110.07199	1.1
110.09676	9.0
111.04453	1.9
111.08070	1.8
111.50179	0.7
112.07603	0.7
112.08733	2.7
112.11268	1.6
113.02381	0.9
113.06024	1.1
114.09185	1.2
115.03941	1.6
115.08686	1.5
116.07100	2.3
116.98610	1.6
117.06591	7.1
120.08105	9.6
121.10152	1.8
123.08014	3.6
125.05972	2.0
126.05518	8.1
128.10715	9.6
129.10242	4.9
130.08656	1.7
130.09720	1.2
130.10628	1.1
131.01839	0.7
132.10208	10.5
135.08044	2.0
137.05954	0.8
138.05498	35.1
139.05913	1.0
143.11806	1.0
144.06564	8.0
144.07626	1.2
144.10310	0.8
145.06059	5.7
147.11215	0.9
149.09645	1.2
151.07512	1.3
153.09105	2.0
155.07028	1.3
155.11841	2.6
158.09250	2.3
159.11351	3.3
166.08614	1.4
168.06564	5.0
170.15356	3.6
173.12860	92.5
174.13214	2.3
175.11954	4.6
186.07687	3.5
187.10773	1.2
189.12332	4.0
201.12338	15.1
205.12035	0.9
209.11760	2.0
219.13457	1.5
222.04459	2.0
222.14958	1.1
240.00240	0.7
240.05388	0.8
240.15994	8.4
240.19637	5.1
258.14734	1.3
258.17059	33.1
258.20651	12.0
259.14276	1.7
259.17242	1.6
275.97748	1.5
276.11298	2.3
276.18060	38.4
276.21722	32.2
277.08957	0.9
277.11774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00967	1.5
55.01875	2.3
55.05510	3.4
56.05038	15.9
56.96565	2.8
57.03435	4.4
58.02967	2.7
58.06602	72.2
60.04523	5.7
60.05638	3.9
67.05495	5.2
68.05024	1.8
69.03432	4.3
69.07054	2.7
70.05265	4.9
70.05608	1.7
70.06594	30.6
71.01340	3.0
71.04979	2.6
72.08155	17.0
74.06081	4.3
79.05502	9.4
81.07053	25.4
82.06583	3.0
84.04491	6.0
84.08145	25.4
85.02882	5.5
85.06532	2.3
86.09713	12.6
87.04461	6.7
88.07635	14.1
91.05486	2.8
93.07052	8.9
95.04974	2.5
95.08613	25.8
96.08169	2.2
97.06525	6.1
97.10133	1.9
98.09703	4.6
98.97578	5.4
99.05569	3.1
99.08120	1.5
105.07065	3.8
107.08586	2.7
108.08107	5.7
109.06464	2.6
110.09683	24.1
112.08739	3.2
113.02393	8.4
113.05965	2.2
115.03909	2.8
116.07093	5.0
116.98592	3.6
117.06632	1.5
120.08089	1.9
121.01686	2.2
121.10127	5.1
123.08073	10.0
125.05954	3.8
129.10262	4.9
131.08603	3.8
132.10223	3.4
134.99677	2.4
135.11694	2.0
138.05482	2.1
139.11157	2.8
141.05418	2.2
145.06049	1.9
145.10085	2.0
147.11357	2.4
149.09616	3.6
151.07547	2.0
152.14281	2.8
153.09068	1.5
158.09259	3.1
163.11185	1.8
169.08601	2.0
170.15419	24.4
175.11903	6.7
180.13808	1.7
191.10667	2.8
196.17004	4.2
198.14893	3.8
209.11707	6.4
218.71318	1.5
222.14890	4.0
240.15973	26.6
240.19565	6.1
241.16235	2.0
258.14606	4.8
258.17010	100.0
258.20541	15.0
259.17038	2.0
275.97549	1.8
276.07941	2.0
276.18005	65.4
276.21634	40.0
277.18610	3.1
277.21634	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	276.2169
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
54.51045	0.4
55.05500	1.9
56.05044	0.9
57.03437	5.5
58.06605	7.8
62.85981	0.4
66.74484	0.6
67.05504	3.5
69.07066	1.8
69.40215	1.5
69.40632	1.2
70.06599	2.4
71.04993	2.2
71.07346	0.5
72.08156	25.6
73.08527	0.5
75.04478	0.7
79.05486	3.4
81.07050	8.7
83.08626	0.9
84.08145	3.9
85.02934	0.5
85.06561	0.9
85.08917	3.4
86.09702	1.8
91.05485	1.4
93.07047	7.2
95.08607	5.3
96.08120	1.1
97.06548	2.4
98.09698	7.5
102.09192	0.9
105.07047	1.6
105.66595	0.4
107.08584	1.9
109.06499	0.7
109.10141	0.5
110.09661	1.1
111.08061	1.2
112.11237	1.2
113.05996	0.7
115.48776	0.4
119.04893	0.6
119.08579	2.1
121.10143	1.9
123.08073	2.1
124.11231	0.4
131.08521	0.7
135.08022	0.6
135.11699	2.5
138.03345	0.5
139.11163	0.8
146.06029	0.7
147.04401	2.5
149.13278	1.5
159.11720	1.2
177.12741	1.6
186.80290	0.4
188.07072	0.7
195.13861	1.1
240.19595	15.2
241.19904	0.6
247.20871	0.5
258.20642	40.9
259.20926	1.8
275.10577	0.4
276.21695	100.0
277.16852	1.2
277.21982	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.217
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
53.03938	0.6
53.58634	0.5
55.05510	3.4
56.05033	4.8
57.03438	5.1
58.06600	32.5
67.05502	10.9
69.07077	3.8
70.06588	4.1
70.53965	0.6
70.54318	1.2
71.04982	1.7
71.07365	1.8
72.08156	5.3
74.37170	0.5
79.05489	5.1
81.07056	16.8
82.06580	0.9
82.07401	0.6
83.08612	1.8
84.08144	18.2
85.06541	2.4
86.09694	0.6
88.07624	1.0
91.05473	4.1
93.07036	7.6
95.08604	11.6
96.08137	1.5
97.06508	1.4
97.10153	1.3
98.09681	3.5
105.07026	2.4
107.08588	7.1
109.06508	1.4
109.10160	4.7
110.09680	0.7
111.08077	1.9
112.11209	0.7
117.06971	0.7
119.08597	2.7
121.10149	2.0
123.08067	1.0
124.11255	0.6
127.07479	0.8
131.08562	1.3
133.10097	2.4
135.08067	1.2
135.11688	3.2
137.09613	1.6
145.10106	0.9
147.04385	1.2
147.11667	0.7
149.09653	0.6
149.13258	2.4
153.12750	0.7
163.14799	2.0
173.13281	3.1
191.14291	3.0
196.20586	0.6
196.67444	0.6
198.18529	2.1
209.15456	2.5
210.50732	0.5
222.18542	7.6
240.19576	43.1
241.19966	2.1
258.20642	53.3
259.21014	2.1
263.37073	0.5
268.55881	0.6
276.21698	100.0
277.16760	0.8
277.21951	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	277.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	12.1
69.27211	24.6
70.95866	4.7
79.03577	3.5
87.04525	3.6
90.74805	3.5
93.32398	3.7
98.58466	4.1
98.96931	5.2
98.97582	100.0
105.07076	3.7
116.98625	59.9
119.01904	9.8
120.97922	4.2
134.99660	25.7
163.03906	17.7
179.00732	12.0
192.94812	9.6
205.02286	13.4
210.95915	23.9
216.98834	5.1
217.62817	4.6
234.95898	14.6
252.96967	22.4
258.99792	50.6
267.95773	12.1
276.97028	48.6
277.00790	78.2
277.04681	15.3
277.97131	5.2
278.00891	9.5
294.97958	35.4
295.05963	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68180	14.4
59.91082	14.4
62.11947	14.0
69.45412	100.0
70.06570	14.2
70.92905	12.7
71.69296	13.9
72.08134	18.5
75.46861	13.9
79.74155	12.9
84.71566	12.3
87.33214	13.3
97.86335	14.6
98.22594	16.2
101.00890	30.0
119.01907	36.1
143.01904	18.8
145.03461	21.8
153.65492	14.4
155.01852	21.9
161.02898	33.3
173.02988	32.2
175.04546	21.9
185.03110	12.6
187.04558	16.1
217.01900	15.0
258.20273	14.5
276.21609	17.5
277.03174	57.6
277.08786	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	23.5
60.89525	5.1
68.92484	4.6
70.06593	10.2
70.66082	12.7
70.66433	5.3
70.98112	4.9
82.99845	8.7
84.04480	4.4
98.97582	26.9
101.00871	47.5
108.46958	4.9
113.00876	13.7
116.98578	5.4
119.01917	50.3
128.98648	8.0
131.01901	18.8
133.03409	9.8
137.03009	5.5
143.01878	26.7
145.03462	8.5
145.61676	4.1
152.52501	5.0
155.01910	17.1
157.03477	15.7
161.02979	79.2
173.02971	25.6
185.02913	17.9
187.04489	8.0
191.04062	7.1
192.88963	4.8
197.02898	4.8
200.16617	5.0
203.04106	13.3
205.05553	6.4
226.00717	5.3
245.05128	7.9
269.04175	4.9
277.03110	22.3
277.07642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38045	11.8
52.93719	13.5
56.96568	73.0
67.51344	12.8
69.63916	74.2
69.64365	10.8
70.06590	17.8
70.22558	12.0
70.98145	15.3
78.10255	12.6
84.08131	30.1
84.96028	11.7
86.09715	23.6
98.22665	20.1
98.97588	83.2
101.00880	25.5
106.47892	14.0
112.99112	16.0
116.98602	33.4
119.01946	36.1
128.40973	13.6
131.01872	13.2
143.01941	31.1
161.02979	59.8
173.02991	36.2
173.52126	13.5
185.03004	20.0
219.01840	16.3
237.03104	15.0
238.56308	13.1
276.59320	17.8
277.00452	15.9
277.03320	23.1
277.07407	100.0
278.09286	13.9
294.60168	31.0
295.06992	17.6
295.10455	34.0
295.59958	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	277.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.3
61.17091	0.2
69.92841	0.5
69.93204	0.4
70.06599	0.5
70.79440	0.2
72.08158	0.3
79.05484	0.3
80.54079	0.2
84.04502	41.8
84.08145	0.7
85.04855	0.2
86.09706	0.9
91.05476	1.3
93.07046	0.9
98.97582	0.7
102.36776	0.2
103.05462	3.9
107.04965	1.2
110.07178	0.6
116.98640	0.5
118.06551	0.5
119.04968	0.5
120.08102	100.0
121.08448	1.8
129.10245	0.3
130.05008	0.3
130.06552	0.4
131.04938	1.5
132.08084	0.4
133.08443	0.4
136.07561	1.4
143.04938	0.3
143.06947	0.2
144.08086	0.6
145.08473	0.7
146.06027	0.6
147.04434	1.0
148.07558	0.3
149.06042	1.1
151.78424	0.2
158.09612	0.2
160.09512	0.8
161.05972	0.5
163.03883	0.4
166.08635	30.5
167.08977	0.5
171.06293	0.3
175.03929	0.2
186.09143	3.8
188.07045	0.6
189.05440	0.4
203.11847	0.5
213.05479	0.7
231.11285	18.1
232.11710	0.6
235.05975	0.3
259.10733	0.9
260.11084	0.7
260.13742	0.3
277.09006	0.4
277.11743	2.7
277.16400	0.3
277.21890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1659
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
52.10924	0.3
55.05521	0.3
59.84501	0.3
60.05648	3.4
64.97942	0.3
67.52805	0.2
70.06587	0.4
70.47459	0.9
72.08159	10.0
85.96413	0.3
89.10799	1.3
91.05485	5.4
97.07646	1.8
98.06046	0.5
114.10294	21.3
115.08699	2.7
119.04942	21.3
119.06755	0.3
120.05231	0.4
120.08105	0.6
121.06495	0.3
131.12915	4.0
146.06097	0.3
147.04407	100.0
148.04753	2.5
157.10812	0.5
188.07033	0.3
189.07393	0.6
198.04451	0.3
205.09760	0.3
206.10126	0.3
217.13364	3.7
218.11768	4.4
235.14476	0.7
241.19934	0.4
259.21021	0.9
260.13937	8.2
261.13870	0.3
277.16589	45.8
277.21899	2.0
278.16837	1.4
286.69165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42453	0.3
53.03931	0.9
55.01601	0.5
55.01869	9.5
55.05508	4.6
57.07062	1.2
65.03932	0.7
67.05506	6.5
69.03429	0.9
69.07065	3.9
69.21919	0.7
69.22323	2.1
71.04963	0.5
71.08616	0.4
79.05491	9.5
80.27707	0.3
80.58387	0.4
81.07056	37.3
82.07394	0.5
83.04993	1.8
83.08620	1.1
84.18211	0.4
91.05486	3.8
93.07046	7.7
95.04953	0.6
95.08610	6.6
97.06528	1.1
98.22609	0.4
99.08110	0.8
105.07016	4.3
107.08592	5.3
109.06512	12.6
109.10192	2.5
111.04440	11.3
111.08063	0.7
117.07011	0.8
119.08575	4.0
121.06519	0.6
121.10141	3.6
123.08031	1.8
123.11709	1.0
125.06001	3.8
125.09569	0.4
129.07010	0.5
131.08548	1.5
133.10118	3.6
135.08040	2.3
135.11687	5.1
137.05974	100.0
137.09564	1.1
137.13239	1.1
138.06331	1.6
139.07509	0.5
143.08566	0.9
145.10118	0.8
147.08026	1.2
147.11671	5.1
148.66415	0.4
149.09586	3.2
149.13232	1.8
151.07568	2.3
151.11169	0.9
157.10138	1.3
159.11693	0.8
161.09610	4.6
161.13274	1.6
163.11176	2.7
163.14827	1.0
165.07944	0.4
165.09128	2.3
167.10625	0.6
171.11696	0.9
175.11212	3.1
175.14810	1.1
177.08997	0.4
177.12794	0.5
177.16446	0.4
179.10681	2.3
181.12215	0.8
185.13290	0.5
189.12805	1.1
189.16328	0.3
193.12376	0.4
199.11183	0.5
203.17957	4.7
207.13824	0.5
213.16373	2.4
221.19055	1.5
223.14850	0.5
225.69449	0.4
231.17429	6.6
235.13229	0.5
241.15923	1.1
249.18532	3.3
259.17056	0.6
277.17984	5.3
277.21643	2.4
295.19327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1803
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
55.01875	8.7
55.05513	4.7
57.07082	2.1
65.09280	1.0
67.05512	5.4
69.07070	3.2
69.76922	0.8
69.83223	2.9
79.05496	9.5
81.07067	37.0
83.04966	1.5
83.08630	2.1
89.54632	1.0
90.87331	0.9
91.05476	4.5
92.63213	0.9
93.07056	5.8
95.08601	5.5
98.97585	2.1
105.07040	2.8
107.08611	4.0
109.06532	14.5
109.10153	2.8
111.04464	12.3
111.08082	1.9
116.98592	1.0
119.08598	3.1
121.10154	4.0
123.08144	1.5
125.06010	2.8
126.18858	1.1
131.08606	2.2
133.10158	4.3
135.08087	1.3
135.11716	3.6
137.05994	100.0
137.13246	1.5
138.06317	2.6
138.90468	0.9
145.06429	1.1
145.10165	1.0
147.08078	1.5
147.11693	5.6
148.11913	1.0
149.09641	2.8
151.07561	3.1
161.09627	4.3
161.13301	1.7
163.11159	2.4
164.92047	1.3
165.09142	2.3
171.11761	1.7
175.11208	2.8
177.12808	1.5
179.10710	1.5
189.12808	1.8
193.12285	1.0
203.18005	5.1
204.18480	1.0
211.25017	1.1
213.16385	2.9
217.12299	2.5
221.19064	1.1
222.91203	1.2
231.17464	6.7
235.13344	2.5
249.18575	3.0
277.17984	6.0
277.21426	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02379	1.0
53.03934	4.9
55.01875	1.2
55.05513	17.3
57.07072	3.7
60.98321	0.7
62.18737	0.6
65.03941	2.4
67.05508	31.6
69.03448	0.8
69.07069	13.1
69.24469	4.0
69.24875	1.4
69.91276	0.7
71.05000	1.6
73.97965	0.7
77.03935	1.0
79.05495	74.9
80.01350	0.7
80.05829	1.1
81.07058	36.3
83.04995	1.7
83.08621	6.7
85.06541	0.9
86.10557	0.6
87.04466	0.8
91.05482	29.8
91.23907	0.7
93.07046	100.0
95.04964	6.4
95.08607	24.5
97.06534	2.0
97.10155	3.8
105.04525	2.4
105.07027	13.6
107.08597	53.3
108.08926	1.0
109.06527	1.9
109.10155	10.0
111.08075	0.9
111.11667	0.8
117.07021	2.3
119.06139	0.8
119.08582	10.4
121.06493	1.2
121.10143	44.3
122.10471	1.5
123.08076	0.9
123.11686	2.6
129.07007	1.5
131.08568	3.6
133.10138	10.2
135.08083	0.8
135.11694	42.7
136.12032	1.0
137.09605	1.4
137.13287	0.7
143.08571	2.9
145.10138	2.2
147.11691	6.3
149.09644	1.1
149.13255	20.4
157.10172	1.9
159.11691	3.4
159.94832	0.7
161.13336	4.8
163.11232	1.0
163.14799	4.7
167.10687	1.1
171.11664	2.3
173.13283	2.7
175.11226	0.7
175.14867	1.5
175.32625	0.9
177.12717	1.1
177.16417	0.7
181.12209	1.3
184.41901	0.7
185.13286	2.4
189.12706	1.0
191.14368	0.7
193.12376	0.7
195.13821	1.3
199.14804	1.7
207.13794	2.0
209.15375	1.1
213.16411	2.2
217.19421	0.8
221.15329	3.8
231.17415	1.2
235.16934	3.2
241.19525	1.4
259.20544	4.8
277.21634	50.6
278.21832	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03938	5.3
55.01862	2.5
55.05269	2.2
55.05511	22.9
57.03438	7.8
57.07067	4.0
59.69473	1.2
66.93105	1.3
67.05503	42.8
69.03426	1.9
69.07066	17.0
70.06570	1.4
71.04990	13.8
71.30331	1.7
71.30705	1.6
73.16775	1.2
73.67598	1.2
77.03902	1.2
79.05492	65.3
80.05831	1.4
81.07053	51.9
81.07527	2.9
82.07365	1.6
83.04972	3.0
83.08609	10.2
85.06535	2.4
89.61610	1.3
91.05476	33.3
93.07043	85.3
94.07394	1.3
95.04977	6.1
95.08606	41.2
97.06520	5.7
97.10157	4.1
99.08084	3.5
101.06017	1.4
103.05396	1.7
105.04513	1.9
105.07019	23.5
107.08593	47.7
107.66829	1.4
108.08927	1.6
109.06545	7.1
109.10152	15.2
111.08051	2.3
113.09663	2.0
117.07030	5.5
119.08575	14.9
121.06490	1.3
121.10136	48.2
123.08062	7.7
123.11678	4.4
125.09629	2.0
129.06982	2.3
131.08585	8.6
133.10126	16.8
135.08086	2.1
135.10658	2.6
135.11687	44.9
137.05943	2.4
137.09605	4.0
137.13239	1.7
139.11258	2.1
143.08525	3.0
145.10074	8.5
147.11681	14.0
149.09608	3.1
149.13268	26.3
151.11150	5.3
153.05347	1.8
157.10153	3.9
159.11710	4.4
161.09608	1.9
161.13232	5.4
163.11165	3.3
163.14828	4.8
165.12724	2.6
167.10652	1.8
171.11694	5.3
173.13297	8.7
175.11200	1.7
175.14868	3.9
181.12187	1.7
185.13264	3.7
187.14801	5.3
189.16322	1.6
191.14291	5.8
193.03352	1.7
199.14801	2.1
203.17799	1.4
205.15834	3.1
207.13774	2.2
207.17525	1.9
221.04175	1.3
221.15381	3.6
235.16989	3.3
241.19455	5.0
250.17679	9.9
259.20547	10.3
271.54416	1.6
277.18826	100.0
277.21643	81.0
278.19208	3.7
278.21982	4.3
278.24857	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02388	1.5
53.03947	6.6
55.01871	8.7
55.05511	28.4
57.03433	1.6
57.07067	1.9
65.03960	1.6
67.05502	48.6
69.03415	1.7
69.07063	28.5
69.97299	4.0
70.06599	1.4
71.04977	5.9
71.08624	1.1
77.70522	1.2
79.05488	68.4
80.02649	1.2
80.05815	1.7
81.03436	2.7
81.07052	57.8
82.07381	1.8
83.04984	4.9
83.08618	18.7
84.08101	1.4
85.06551	2.8
91.05481	34.5
93.07039	100.0
94.07367	3.2
95.04958	9.0
95.08600	43.0
96.08924	2.3
97.06511	11.0
97.10160	4.1
98.56033	1.3
99.08088	2.0
105.04522	1.4
105.07029	25.5
105.81428	1.2
107.04930	1.7
107.08588	52.1
109.06509	4.1
109.10149	18.4
111.08080	4.6
117.07013	5.1
119.08580	17.3
121.10136	51.6
121.66056	1.3
122.10515	1.7
123.08051	5.2
123.11698	5.7
125.09594	3.2
129.06975	3.0
131.08554	7.4
132.06514	1.3
133.10124	15.8
135.08054	1.7
135.11691	48.3
137.05966	2.1
137.09631	2.6
139.11189	1.7
143.08563	3.2
145.10104	5.8
147.08083	2.2
147.11667	14.3
149.09631	2.6
149.13243	22.7
151.11203	3.6
157.10091	3.0
159.11676	5.5
161.09518	2.1
161.13246	6.4
163.11166	3.3
163.14806	6.7
165.12752	5.1
167.10623	1.2
171.11716	3.8
173.13255	5.0
175.11203	1.3
175.14825	3.4
177.12779	2.2
185.13246	3.4
189.12723	2.0
193.12338	1.4
195.13766	2.3
207.13913	2.3
221.15305	2.5
231.17349	1.9
235.16864	2.6
241.19427	2.8
249.22127	2.5
259.20514	9.8
277.21591	98.1
278.21909	3.5
278.24844	6.3
293.42114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.01883	1.3
52.12783	1.1
53.03947	3.5
55.01877	35.0
55.05519	32.3
57.03440	3.0
57.07071	3.6
58.19487	1.2
58.40903	1.1
60.12197	1.4
63.16605	1.1
64.33270	1.2
65.03944	1.7
67.05513	55.2
69.03455	2.0
69.07076	52.9
69.45132	6.1
71.04997	6.3
71.08638	2.2
76.26711	1.2
79.05502	43.1
81.03423	5.1
81.07065	70.7
83.04998	10.4
83.08630	23.2
83.76183	1.3
85.02911	1.5
85.06554	3.2
85.56039	1.4
91.05489	41.5
93.06470	2.8
93.07053	50.0
95.04999	8.9
95.08618	46.8
97.06544	46.6
97.10165	3.9
99.08127	3.4
105.07038	32.8
107.04920	1.8
107.08602	34.1
109.06545	9.6
109.10170	13.3
111.04401	1.8
111.08067	8.3
113.09678	2.1
115.05347	1.4
117.07056	6.7
118.97149	1.9
119.08597	21.4
120.08939	1.5
121.06490	2.2
121.10160	28.6
123.08096	6.8
123.11721	3.2
125.09659	10.3
129.07028	5.8
131.08582	5.2
133.10162	18.3
135.08025	1.7
135.11697	20.1
137.09644	3.7
139.11212	2.7
142.07658	1.2
143.08569	3.7
145.10168	6.8
145.92734	1.3
147.11693	28.6
148.12039	2.0
149.09596	2.8
149.13263	12.7
151.11176	7.8
157.10112	3.8
159.11716	4.5
161.09602	1.4
161.13266	11.2
163.11208	5.8
163.14871	7.4
164.92041	1.4
165.12775	15.8
171.11739	9.5
173.13298	3.6
175.11244	2.4
175.14848	4.4
179.14340	4.0
185.13307	3.4
189.12830	6.4
193.12320	1.4
199.14853	2.1
201.16380	1.7
207.13867	3.3
214.58366	1.4
221.15401	1.5
231.21118	4.3
235.16969	2.6
235.52818	1.3
241.19554	3.4
249.22206	7.8
259.20648	11.3
277.21652	100.0
278.21997	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02367	0.9
53.03940	4.6
55.01870	10.4
55.05512	21.6
57.03425	2.0
57.07079	4.1
62.99400	0.5
65.03928	2.2
67.05506	45.8
68.05813	1.0
69.07068	18.2
70.59739	1.3
71.04997	5.3
71.08632	15.6
73.06570	0.8
77.03925	1.0
79.05493	56.7
79.39957	0.5
80.05857	1.1
81.03426	4.9
81.07056	47.9
82.07382	1.1
83.04986	5.3
83.08622	11.7
85.06552	3.7
85.10175	1.4
87.40141	0.5
90.46422	0.5
91.05481	32.9
92.05788	0.9
93.07043	69.9
94.07382	1.5
95.04970	10.4
95.08607	31.4
96.08923	0.9
97.06531	8.9
97.10170	4.8
99.08093	12.6
103.05456	0.7
105.04501	1.9
105.07030	24.6
107.04942	4.2
107.08592	36.7
108.08930	1.3
109.06515	6.5
109.09443	1.1
109.10155	14.5
111.08073	9.3
113.09643	1.9
117.07035	5.5
119.07775	1.2
119.08578	16.6
120.08971	0.6
121.06493	3.0
121.10141	22.8
123.08080	4.9
123.11690	4.2
125.05928	0.8
125.09649	2.3
127.07589	0.8
127.11169	0.7
128.06229	0.8
129.07048	3.0
131.08582	6.2
133.06471	1.1
133.10133	16.1
135.08044	3.1
135.11694	24.8
137.05983	0.7
137.09637	3.1
137.13248	1.6
139.07523	0.7
139.11186	1.7
141.12708	2.7
143.08546	4.0
145.10129	9.2
145.43715	0.7
147.08034	1.1
147.11682	14.6
148.12080	0.7
149.09656	3.1
149.13257	14.3
151.11194	8.6
153.12744	1.3
157.10205	3.2
159.11713	2.8
161.09613	3.1
161.13268	11.3
163.11174	13.8
163.14816	6.1
165.12775	6.2
167.10739	0.8
167.14281	1.0
169.12222	1.1
171.11667	5.6
173.13225	2.7
175.11212	2.7
175.14815	5.3
177.12726	2.4
179.10632	0.9
179.14273	4.5
181.12242	2.2
185.13258	3.9
187.14804	1.2
189.12723	3.5
189.16388	0.7
193.12244	2.2
193.15894	1.5
195.13741	2.0
199.14769	2.2
203.14285	1.2
204.27151	0.6
207.13785	2.6
213.16371	0.9
215.17929	1.1
217.15907	1.0
217.19489	2.7
221.15422	3.4
231.17354	1.4
231.21072	2.7
235.16936	2.8
241.19539	5.5
249.22122	2.4
259.20572	12.9
260.20865	1.2
275.93323	0.6
277.21600	100.0
278.22067	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	4.5
55.01877	56.9
55.05514	31.9
57.03433	1.8
57.07073	6.5
65.03941	2.3
67.05508	42.4
69.03451	1.0
69.07076	17.1
69.36387	5.4
71.05000	2.8
71.08637	6.0
79.05496	39.2
81.03414	3.6
81.07061	49.4
83.04986	9.6
83.08618	23.4
85.06548	2.9
85.10181	3.2
87.04501	0.9
91.05483	39.1
92.05821	1.1
93.07050	50.4
95.04967	11.6
95.08609	36.0
96.08933	1.1
97.05976	1.4
97.06541	11.4
97.10149	3.8
98.97583	1.0
99.08103	6.5
101.06011	0.8
105.04523	1.7
105.06381	1.7
105.07042	25.7
107.04940	2.6
107.07874	1.2
107.08601	25.5
109.06523	7.4
109.10153	12.1
111.08083	66.4
112.08424	1.3
113.09642	5.1
117.07027	2.9
119.08585	15.0
119.60571	0.9
121.06483	1.8
121.10149	17.3
123.08064	5.6
123.11710	5.5
125.09633	3.0
125.98056	0.8
127.07660	0.8
129.06993	3.6
131.08583	5.2
133.06476	1.3
133.10135	24.9
134.10364	0.8
135.08121	2.2
135.11705	15.2
137.09634	3.4
137.13254	3.3
139.11186	2.4
141.09140	1.5
143.08583	2.7
145.10129	5.5
147.08081	1.9
147.11690	17.2
149.09599	6.3
149.13254	10.9
151.11197	11.0
151.14806	1.5
153.09113	1.5
153.12785	2.9
157.10133	2.8
159.11719	3.7
161.09593	1.4
161.13249	10.5
163.11163	6.8
163.14841	4.7
165.12781	12.2
167.10719	1.3
167.14284	1.0
171.11713	2.4
173.13249	1.8
175.11227	4.3
175.14827	5.0
177.12770	1.9
177.16393	1.4
179.10674	1.0
179.14267	5.1
181.12151	1.2
185.13277	2.8
189.12700	2.2
192.33394	0.9
193.12273	3.1
193.15910	1.0
195.13857	0.9
203.14398	1.4
207.13792	3.8
209.15460	1.1
213.16321	1.2
215.18044	1.1
217.19473	2.3
221.15427	4.3
231.21109	3.8
235.13409	1.5
235.16856	1.6
241.19521	3.7
249.22147	8.3
259.20581	11.6
277.21634	100.0
278.21976	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	277.2161
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03935	4.9
55.01858	5.6
55.05510	23.7
57.07072	3.9
57.84257	1.5
61.23672	1.4
67.05499	46.0
69.03408	2.0
69.07071	28.0
71.04990	8.3
71.30241	2.6
77.03913	2.1
79.05490	61.0
81.03400	2.6
81.07053	59.9
83.04958	4.3
83.08617	14.5
85.06524	3.9
91.05468	32.1
93.07038	93.2
94.07341	1.9
95.04948	10.4
95.08606	46.3
95.09228	2.3
97.06512	7.4
97.10157	4.3
98.97577	2.4
99.08112	1.7
99.87815	1.9
105.07032	21.8
107.08588	57.2
109.06535	8.2
109.10145	17.8
111.04471	1.7
111.08102	3.8
113.09631	1.7
117.07018	4.7
119.08573	22.3
121.10131	44.2
123.08049	4.9
123.11700	6.8
125.09586	3.2
131.08566	8.5
133.10110	16.3
135.08032	4.1
135.11684	41.7
136.12025	1.5
137.05977	6.3
137.09618	4.8
137.13210	1.7
139.11209	2.2
143.08572	3.8
145.10110	6.3
147.04449	1.8
147.08067	1.4
147.11687	14.3
149.02351	2.1
149.09592	5.3
149.13258	24.7
151.11154	6.3
157.10101	3.3
159.11681	9.0
161.13232	9.1
163.00090	1.5
163.11174	3.4
163.14818	6.0
165.12709	4.0
171.11702	3.3
173.13252	5.4
175.11160	2.1
175.14804	4.4
177.12718	3.0
179.14420	1.5
185.13283	5.1
189.12698	3.2
189.16368	1.5
191.14203	2.0
193.08661	3.0
193.12210	2.1
195.13771	3.1
199.14786	3.6
207.13834	2.6
221.15331	5.0
235.13222	2.6
235.16945	2.4
241.19534	5.3
259.20636	11.7
277.18213	5.0
277.21613	100.0
277.28235	6.5
278.21973	4.7
278.24786	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	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03941	5.7
55.01865	3.2
55.05511	15.8
57.03433	1.9
57.07061	4.3
59.16097	1.0
59.84591	1.0
60.70317	1.1
65.03931	1.9
67.05508	41.8
69.07070	15.1
69.76111	4.7
71.04982	1.9
71.08630	17.8
77.03900	1.5
79.05495	61.7
81.03413	4.5
81.07057	46.5
83.04971	3.7
83.08617	9.2
85.06535	1.6
86.77266	1.2
87.02707	1.2
91.05483	27.5
92.05818	1.1
93.07043	100.0
94.07355	1.8
95.04963	8.6
95.08610	27.0
97.06509	4.7
97.10155	3.2
99.08100	14.0
105.04512	2.1
105.06380	1.7
105.07037	22.0
107.04972	4.4
107.08596	56.0
108.08899	1.5
109.06518	2.8
109.10160	8.6
111.08065	1.9
113.09656	1.5
117.07018	3.9
119.06117	1.2
119.08591	11.6
121.06519	1.3
121.10148	41.2
121.11024	2.3
123.08049	1.7
123.11698	1.4
129.07008	1.4
131.08582	5.8
133.06509	5.7
133.10123	9.4
135.08051	10.5
135.11696	54.0
137.09660	2.3
137.13216	1.2
141.09106	2.6
143.08585	1.9
145.10092	2.1
147.11693	5.9
149.13257	16.4
151.07562	2.0
151.11136	6.9
157.10109	1.4
159.11713	3.6
161.13289	5.5
163.11180	3.9
163.14854	3.9
165.03697	6.3
167.10612	2.2
171.11629	2.1
173.13322	1.3
175.14838	1.7
177.12753	1.8
178.87151	1.2
179.14326	21.5
179.15839	0.8
181.12288	1.3
185.13248	1.9
195.13771	1.9
207.13852	2.1
221.15359	4.2
235.16899	2.6
241.19489	1.3
259.20673	4.6
277.21631	79.4
278.21979	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	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.51077	1.2
53.03945	4.8
55.01879	3.0
55.05508	17.4
57.03422	1.8
57.07080	3.7
65.03940	2.7
67.05504	39.5
69.03422	1.9
69.07071	19.5
69.50401	7.4
71.04990	3.3
79.05492	76.1
80.05827	1.8
81.03436	2.5
81.07056	42.1
81.11322	1.5
83.04980	2.5
83.08623	9.6
91.05480	33.2
91.06014	2.7
93.07043	100.0
95.04460	1.5
95.04963	7.8
95.08611	30.5
97.06554	3.8
97.10184	4.9
99.08114	2.0
105.04535	1.8
105.07014	19.3
107.08591	52.6
109.06519	4.0
109.10162	17.6
111.08101	1.9
117.07038	4.0
119.08576	13.2
121.06543	1.6
121.10150	44.9
121.11017	2.3
123.08090	3.2
123.11723	4.5
129.07033	2.4
131.08586	3.9
133.10133	13.9
135.11690	45.8
137.05965	4.0
137.09602	2.5
143.08580	1.9
145.10156	4.2
147.11690	9.3
149.09735	1.4
149.13268	18.4
151.11208	3.8
156.09418	1.9
157.10197	3.2
159.11710	2.7
161.09695	1.6
161.13306	5.6
163.14873	5.3
165.12799	2.6
171.11763	4.1
175.14917	1.8
181.12311	1.5
189.12753	2.3
193.12277	1.9
199.14685	1.5
206.11038	1.8
207.11685	3.7
207.13788	2.0
213.16515	1.8
217.19418	1.5
221.15437	1.5
235.17017	3.1
241.19592	2.2
247.14842	1.9
259.20605	4.5
277.19528	3.1
277.21735	55.2
278.22168	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	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	4.2
53.83340	0.9
55.01880	35.9
55.05519	29.6
57.03423	1.7
57.07087	7.0
62.98273	1.1
65.03960	2.0
67.05513	43.3
69.03433	1.8
69.07073	17.3
69.52442	4.4
71.04985	3.5
71.08652	5.3
73.06554	1.3
79.05499	40.5
80.94895	1.0
81.03448	5.7
81.07066	51.2
82.94559	1.0
83.04991	8.1
83.08633	17.1
85.06558	2.5
85.10165	3.1
91.05489	30.7
93.07055	50.6
95.04973	17.8
95.08614	32.8
97.06539	10.2
97.10159	3.8
99.08105	3.4
105.07037	21.4
107.04961	1.9
107.08608	26.7
109.06536	9.1
109.10166	15.1
111.04435	1.1
111.08091	41.4
113.09643	3.9
117.07019	3.8
119.08591	15.1
121.06474	2.3
121.10155	17.3
123.08102	5.7
123.11727	5.7
129.07040	2.5
131.08588	6.0
131.48114	1.2
133.10147	21.6
135.11707	15.1
137.09602	3.9
137.13277	3.4
139.11127	2.5
143.08565	1.8
145.10115	3.7
147.08095	1.4
147.11708	13.1
149.02394	1.2
149.09653	5.3
149.13280	12.4
151.11208	8.4
153.12756	4.7
157.10086	2.2
159.11758	4.8
161.09607	1.7
161.13280	8.2
163.11205	4.6
163.14830	3.9
164.92041	1.9
165.12776	13.1
171.11688	2.5
173.13297	2.0
175.11276	1.9
175.14853	3.2
177.12769	2.2
177.16425	1.8
179.10632	1.6
179.14320	7.0
180.07872	1.1
181.12250	1.4
185.13248	3.1
189.12729	3.4
193.08578	1.3
193.12135	1.8
193.15866	1.8
199.14915	1.0
204.47766	1.0
207.13800	2.9
217.12234	1.4
217.19513	1.3
221.15379	3.1
231.21083	4.4
232.90863	1.1
235.13350	3.6
241.19572	4.7
249.22154	7.2
259.20578	10.3
277.21643	100.0
278.22128	5.8
295.22739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1961
Annotation	(+)-EHNA
Peak:m/z	Relative Intensity
53.03956	0.7
55.01872	1.3
55.05517	2.1
55.93521	0.8
56.05037	6.3
56.96572	3.2
57.03446	1.5
57.07080	2.3
57.80460	0.5
58.06604	74.2
59.06950	0.9
67.05500	2.9
69.03442	0.7
69.07066	1.1
69.15765	0.5
70.06601	4.8
71.04993	0.9
71.27794	0.5
72.08160	6.5
79.05497	7.1
81.03429	0.9
81.07061	6.4
82.06596	1.5
83.04978	1.7
84.04507	1.0
84.08150	14.4
85.06560	0.7
86.09741	0.6
88.07638	1.6
91.05473	4.9
92.01429	0.6
93.07041	7.9
95.04979	1.5
95.08620	2.3
96.08132	2.9
97.06564	1.4
97.08926	1.0
98.09727	1.2
98.97593	4.9
101.83929	0.6
103.05482	0.8
104.05293	0.6
105.07031	3.8
107.04992	0.5
107.08606	4.6
108.08155	1.1
109.06551	2.8
109.10162	1.0
110.09695	2.6
110.97615	1.2
111.08105	2.2
112.11304	0.6
114.09158	0.7
116.98640	3.8
117.07085	0.8
119.08576	1.6
120.04499	0.7
120.08106	14.3
120.08912	0.9
121.02884	1.3
121.06519	1.1
121.08437	0.9
121.10139	1.0
123.08068	1.1
123.63538	0.5
124.11250	0.6
125.09652	2.2
128.98639	1.1
129.10255	1.4
129.39256	0.6
130.06580	0.7
131.08508	0.6
133.10168	3.8
134.99673	1.2
135.08052	3.8
136.07582	1.2
137.05994	0.9
137.09634	0.6
138.05556	0.7
147.11693	1.2
148.03922	1.3
149.02344	14.0
149.03445	0.8
149.97261	0.5
153.09090	2.6
156.13905	1.3
157.10242	0.7
158.99716	2.2
165.97234	1.0
166.04993	3.4
169.12256	0.5
174.02039	1.3
175.11220	1.3
177.00729	3.4
180.06540	1.1
180.17513	1.8
182.15424	2.7
189.00771	1.1
193.12241	1.5
198.18481	0.7
206.15559	0.6
207.01813	0.9
222.04431	0.8
224.07697	1.1
224.16420	5.8
232.02643	1.0
236.02155	0.8
237.02895	0.6
240.05357	1.5
242.08803	2.1
242.17551	10.4
246.01779	0.9
260.18597	27.8
261.12604	0.6
261.19110	1.2
278.03293	1.1
278.19635	100.0
279.03622	0.5
279.19940	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	278.2479
Annotation	Lepadin B
Peak:m/z	Relative Intensity
50.64768	0.5
53.03945	1.1
55.05518	6.5
56.05022	1.3
56.29989	0.6
56.96554	0.5
57.03428	0.9
57.07060	2.2
58.06586	1.5
61.56051	0.5
65.03921	1.3
67.05506	17.1
68.05841	0.9
69.07063	3.9
70.06595	13.3
71.22133	0.7
73.06598	0.5
79.05067	0.8
79.05491	11.4
80.05018	0.9
80.05814	1.3
81.06590	0.8
81.07056	10.0
82.06577	4.0
82.07362	0.7
83.07358	1.0
84.08131	1.2
85.43452	0.5
86.06091	0.7
91.05485	8.9
93.07045	11.0
94.06561	1.4
94.07380	1.8
95.04963	1.0
95.08609	9.0
96.05264	0.6
96.08122	6.4
96.08733	0.7
97.06512	0.5
97.08918	5.3
97.10133	0.6
98.09690	7.3
98.97544	1.7
104.06496	0.5
105.07031	4.4
107.08588	5.1
108.08156	0.9
108.08897	1.2
109.06480	0.6
109.10155	2.2
110.09710	2.4
112.07593	0.7
114.09138	0.9
116.98630	1.5
117.06977	0.9
119.08607	2.8
119.54499	0.4
120.08109	0.7
121.02815	0.5
121.10124	2.9
122.09654	1.2
122.10453	1.3
123.08076	0.5
123.11699	0.6
124.11266	0.6
128.98569	0.9
131.08565	1.5
133.10123	2.2
134.09557	0.8
134.10562	0.8
134.99660	0.7
135.11711	1.4
136.11198	1.5
137.09637	1.1
137.12018	0.7
138.12770	8.7
145.10091	1.1
147.11650	0.8
148.11179	1.1
149.02332	8.3
150.12729	1.0
151.13498	0.7
159.11647	0.6
173.13316	0.5
176.14423	0.7
177.00732	1.0
178.15919	0.6
189.00778	0.9
223.21088	0.5
260.23715	35.5
261.24118	1.6
278.22183	3.9
278.24777	100.0
279.22644	0.5
279.25229	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05055	2.5
56.96567	6.7
58.06600	1.1
61.01158	0.6
69.44530	3.1
70.06596	7.9
71.95258	0.8
72.08153	1.7
72.94210	0.5
74.02429	2.7
74.06071	0.7
84.04505	3.2
84.08138	3.5
86.09718	4.8
91.05471	1.6
94.06513	0.5
98.97586	100.0
102.05539	0.8
103.00652	1.0
104.05329	2.5
110.97572	25.3
113.10764	0.6
116.07111	3.6
116.98628	37.1
119.01934	0.7
128.98611	22.3
130.05011	1.7
133.06233	0.5
134.99677	9.7
136.07564	2.4
140.00150	0.8
141.10194	0.7
145.33534	0.5
146.99641	7.4
147.03185	0.7
149.02315	2.9
150.05856	0.8
158.99661	33.9
163.02740	0.7
165.00728	1.0
166.05351	3.6
167.08159	0.7
169.13385	0.8
170.99661	11.0
175.02563	0.8
177.00717	44.3
180.06909	1.5
180.10112	0.8
189.00711	22.4
191.40903	0.6
195.01842	2.8
197.01006	0.6
200.02341	1.3
207.01772	14.1
212.02338	0.8
215.13945	2.5
219.01733	3.4
225.02798	0.9
237.02751	4.4
255.03905	1.4
268.09903	0.5
278.19690	1.7
279.03970	3.9
279.07205	0.8
279.13699	1.6
284.09540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
56.05037	5.0
56.96568	4.0
57.03430	0.6
57.07082	2.4
61.01152	0.5
65.03926	0.8
67.05460	0.5
69.51604	2.8
70.02946	0.7
70.06592	52.1
71.06929	0.6
71.95270	0.6
72.08167	3.0
74.02437	0.6
74.06087	5.1
79.05474	0.9
81.07072	0.6
84.04502	3.4
84.08141	7.1
85.04009	1.0
86.09711	4.3
87.05593	1.3
88.03970	3.0
91.05479	33.5
97.02883	2.1
98.97582	46.4
103.05454	1.2
104.05282	0.5
104.98360	0.9
105.07015	0.6
107.04964	1.9
109.06517	1.1
109.73687	0.5
110.07153	1.2
110.97575	10.7
113.10762	1.8
114.05544	3.9
116.07092	89.1
116.98624	21.1
117.07450	1.0
118.06544	1.2
119.04943	20.3
120.08093	5.4
121.02885	0.7
121.06514	2.1
124.11267	0.6
128.98599	9.3
129.10249	2.1
131.04892	1.3
132.08041	0.6
134.99670	4.8
136.07578	100.0
137.07918	2.7
138.07439	0.5
141.10258	3.5
144.06580	0.9
145.06505	1.1
146.99687	3.5
147.04407	4.1
149.02347	16.6
153.00729	0.8
153.06703	0.5
154.06374	0.5
158.99651	16.6
159.04448	0.8
160.07587	2.7
163.04080	0.7
166.05429	1.1
166.08641	0.8
169.13370	1.9
170.99672	4.4
175.08670	1.3
177.00708	25.4
177.05539	0.9
180.06912	3.1
187.10831	0.9
188.07045	5.4
189.00705	9.9
191.03398	1.0
195.01776	2.1
200.07056	2.8
205.04942	1.0
207.01743	5.8
215.13924	8.3
216.06601	3.3
219.01797	1.9
220.09625	1.0
221.09305	1.2
233.04453	0.9
233.13181	1.2
234.07619	6.1
234.11232	1.2
237.02850	2.1
244.06075	1.5
246.07628	2.2
255.04115	0.8
262.07138	3.5
262.10748	3.4
263.10144	0.7
279.03906	1.3
279.06281	1.0
279.08609	1.4
279.13437	15.1
280.08270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.9
55.01851	0.7
56.05037	18.9
56.96560	0.9
57.07083	4.0
57.07326	0.7
69.07059	2.7
69.24156	3.3
69.24561	1.2
70.06594	16.7
71.06927	1.2
72.08165	2.6
74.02442	49.1
74.06080	3.8
75.02708	17.9
75.03107	1.5
81.07072	3.8
84.04506	18.2
84.08140	9.2
86.09707	78.4
87.10032	3.2
91.05526	1.1
98.23381	0.7
98.97568	5.7
102.05548	8.3
107.04922	0.8
110.07175	2.3
110.97549	1.3
113.10807	1.0
115.08760	0.7
116.07077	1.5
116.98604	3.6
119.04961	0.8
120.08099	4.0
121.02881	2.1
127.08748	0.7
128.98627	1.4
129.10246	6.9
130.05005	30.8
130.10576	1.5
131.01642	1.2
131.04955	0.9
134.99702	0.9
136.07608	2.6
139.39671	0.8
141.10258	1.6
143.30293	0.8
145.06464	1.3
146.99643	1.0
149.02370	41.4
150.02649	1.2
152.02670	0.7
158.99692	1.7
160.07632	3.7
166.05338	100.0
167.05679	1.7
169.13321	3.4
171.11267	0.8
173.02342	1.5
177.00758	3.7
177.05452	1.3
177.06973	3.3
180.10201	9.4
183.03300	0.7
188.07095	5.3
189.00722	2.4
191.03397	3.3
195.08159	1.0
197.12849	2.0
198.11345	0.8
200.07135	0.9
205.04913	2.5
205.06544	5.9
213.62411	0.7
215.11858	1.6
215.13922	32.2
216.06606	2.3
216.14124	1.3
219.07817	1.3
222.13763	1.3
223.07727	1.5
233.06044	3.2
233.13048	2.1
234.07690	5.5
244.06042	1.6
251.07115	4.2
261.05463	1.5
261.12604	2.1
262.07065	2.9
278.77167	0.8
279.06610	17.2
279.09998	2.2
279.13669	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49442	1.2
57.07077	12.3
61.18404	1.1
68.54156	1.2
69.07058	4.7
69.73733	4.6
70.06600	2.9
71.47472	1.2
74.48065	1.1
75.19403	1.2
79.05511	1.4
81.07040	1.2
82.63428	1.1
86.09209	2.3
86.09705	28.4
98.97583	4.5
116.98607	2.5
120.08112	6.8
121.02882	4.5
128.98570	1.7
134.99615	1.8
146.04842	1.3
149.02341	100.0
150.02654	1.3
157.06525	1.6
158.99673	1.7
166.08656	1.9
167.03447	1.4
177.00687	2.1
190.07768	2.8
191.08604	3.9
218.07297	2.8
219.06158	1.5
219.08058	8.1
236.08115	1.2
247.07539	5.4
248.08098	1.6
251.10663	9.3
279.10101	16.5
280.18835	5.9
303.38666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.76913	0.3
52.38702	0.4
53.03941	0.4
55.05512	14.4
55.37945	0.3
56.05017	0.5
57.05813	1.2
57.07082	0.9
69.05150	2.9
69.07069	0.6
70.06587	0.9
72.08154	89.9
73.08493	1.3
75.94956	0.4
79.77256	0.3
81.03374	0.4
81.84937	0.4
86.09708	11.2
91.05475	0.6
93.07047	1.6
98.22611	0.6
98.97584	0.5
103.05457	3.8
116.98618	0.5
117.07050	0.4
120.08102	100.0
121.06506	3.0
121.08451	1.6
131.04918	1.6
132.10191	2.2
135.08131	0.4
149.02342	5.1
163.07539	2.6
166.08626	0.6
177.00754	0.6
178.19551	0.4
180.10188	59.3
181.10567	1.3
189.00763	0.5
219.14931	1.9
247.14223	0.5
279.17026	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	279.1702
Annotation	Phe Leu
Peak:m/z	Relative Intensity
53.03941	0.2
53.19449	0.1
57.07068	0.1
67.33285	0.1
67.77761	0.1
69.07052	0.7
69.20021	1.1
70.06587	0.3
70.57512	0.1
72.08158	0.1
72.55692	0.1
74.00672	0.2
77.03922	0.1
85.19095	0.1
86.09705	8.8
91.05463	0.7
93.07044	2.0
95.04947	0.3
98.97588	0.2
103.05466	7.1
110.97572	0.1
118.06554	0.3
120.08101	100.0
121.08439	2.2
132.10201	2.7
132.93109	0.1
149.02356	1.5
233.16469	2.0
279.06509	0.2
279.17014	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	279.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.3
57.05809	0.5
69.07068	12.4
69.60271	1.4
86.09705	100.0
87.10047	1.3
103.05487	0.3
109.29037	0.3
117.54967	0.3
120.08109	10.0
131.25603	0.3
149.02307	0.5
166.08641	4.9
175.71692	0.4
187.61188	0.3
233.16565	0.4
264.74799	0.4
279.06622	0.8
279.16931	1.6
279.81210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.03306	0.3
63.27855	0.3
65.29773	0.3
69.07065	0.4
69.70317	1.3
86.09709	100.0
87.10036	1.3
93.07075	0.7
103.05466	2.8
120.08109	53.8
121.08434	1.4
131.04884	0.4
132.10214	1.1
146.82008	0.3
166.08641	9.4
167.09012	0.4
180.73457	0.3
182.46805	0.3
233.16458	1.2
279.17020	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.05511	9.7
56.13213	0.4
57.03439	0.8
57.07070	2.1
58.49328	0.3
59.34929	0.3
63.79631	0.4
65.03948	3.1
67.05507	98.1
68.05840	1.2
69.04684	2.2
69.05103	1.2
69.07069	10.8
71.04992	1.2
71.08637	0.6
72.66762	0.3
79.05495	14.8
81.07060	100.0
82.07386	1.9
83.04978	1.3
83.08620	6.2
85.06538	1.2
91.05487	5.4
93.07047	13.7
95.04974	0.9
95.08609	80.8
96.08940	1.3
97.06516	1.6
97.10164	2.8
99.08073	0.8
105.07042	3.6
107.08597	9.1
109.06499	1.1
109.10158	47.6
110.10509	0.9
111.08087	0.9
111.11732	0.9
117.07029	1.5
119.08593	3.6
121.10149	7.4
123.08070	1.6
123.11713	25.3
124.12001	0.8
127.07559	0.5
131.08580	4.7
133.10149	2.7
135.08073	0.8
135.11702	5.6
137.09618	1.3
137.13258	9.7
139.11147	0.4
145.10130	3.3
147.11673	2.8
149.02335	1.5
149.09573	2.2
149.13257	3.1
151.11203	1.0
151.14841	2.6
153.09116	0.8
159.11670	2.7
161.13275	1.8
163.11194	1.6
163.14844	1.6
165.12766	1.3
165.16394	0.9
167.10744	0.9
167.14307	0.4
173.13255	3.1
175.14790	0.6
177.12750	1.4
177.16405	0.4
179.14334	0.8
181.12267	1.6
187.14841	3.2
191.14384	0.9
195.13788	2.6
205.15852	1.2
209.15372	3.0
219.17404	0.6
219.21036	0.6
223.16911	2.9
237.18547	1.5
243.21016	2.7
261.22119	4.5
279.09229	0.8
279.19748	1.8
279.23184	37.9
280.23462	1.6
280.26199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.88366	0.6
53.03950	1.3
53.33912	0.6
55.01875	0.8
55.05515	10.0
56.71946	0.6
57.03435	1.9
57.07075	4.1
60.49820	0.6
65.03931	2.8
67.05508	97.3
68.05844	1.4
69.07070	12.6
71.04990	1.4
71.11281	0.6
79.05499	16.1
81.07060	100.0
82.07384	1.9
83.04987	2.3
83.08625	7.2
85.06545	2.9
91.05475	7.0
93.07048	17.5
95.04974	1.8
95.08612	83.7
96.08943	1.6
97.06546	2.5
97.10151	3.2
97.57069	0.7
105.07031	4.5
107.07874	0.7
107.08604	11.9
107.09297	1.2
108.08937	0.8
109.06533	1.2
109.10160	47.8
110.10525	1.3
111.08082	1.3
111.11723	2.0
117.07011	1.7
119.08587	4.6
121.10149	9.6
123.08069	1.0
123.11716	25.7
125.05970	1.4
125.09611	0.8
126.06340	0.8
131.08588	5.6
133.10130	4.5
135.08089	1.0
135.11693	7.3
137.09631	2.3
137.13269	8.9
141.09045	0.9
145.10130	3.2
147.11705	2.8
149.02361	6.0
149.09644	1.9
149.13258	3.3
151.11206	1.5
151.14816	3.1
153.09117	1.2
157.53896	0.9
159.11705	2.9
161.13284	4.0
163.11174	1.9
163.14804	2.1
165.12743	1.4
165.16385	1.3
167.10699	1.4
173.13258	3.7
177.12727	2.1
177.16452	1.0
179.14342	1.5
181.12224	3.0
187.14813	4.7
191.14238	0.8
195.13829	2.6
205.15862	1.3
206.19905	0.6
209.15381	3.2
218.48727	0.6
219.05663	1.4
219.21225	1.4
223.16927	4.1
237.18469	1.0
237.72067	0.7
243.21095	4.7
253.00868	0.7
261.22107	5.6
262.22360	0.9
279.09305	2.3
279.19699	2.8
279.23193	32.0
280.23511	1.4
280.26389	1.0
293.34317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.39821	0.4
53.03942	1.2
55.01898	0.7
55.05512	9.0
57.07075	2.4
64.06294	0.5
65.03938	2.7
65.92588	0.4
67.05506	100.0
68.05841	1.2
69.06029	1.4
69.06448	2.9
69.06786	0.5
69.07072	7.4
71.04990	1.0
71.08640	0.6
79.05492	11.2
81.07057	95.1
82.07388	1.4
83.04991	0.8
83.08624	5.5
85.06540	1.5
91.05463	3.4
93.07049	9.7
95.04996	0.7
95.08607	71.7
96.08948	1.0
97.06528	1.5
97.10173	3.2
98.97592	0.6
105.07031	2.9
107.08595	5.9
109.06537	1.3
109.10159	45.3
110.10490	0.8
111.08060	0.7
111.11730	1.0
116.98664	0.6
117.07041	0.8
119.08598	2.8
121.10152	5.9
123.08085	1.1
123.11710	28.0
125.09608	0.5
131.08588	3.1
133.10143	2.6
135.08043	0.8
135.11673	3.4
137.09637	0.9
137.13252	10.3
137.14214	0.8
138.97942	0.5
145.10138	2.0
147.11671	2.3
149.02353	5.1
149.09636	1.5
149.13287	2.5
151.11159	1.0
151.14821	2.1
153.12819	0.7
159.11729	1.8
161.13251	2.5
163.11180	1.3
163.14847	2.0
165.12816	1.0
169.12183	0.4
173.13298	2.5
177.12706	1.0
177.16435	0.8
178.08975	0.5
179.14305	0.8
181.12296	1.8
187.14825	1.2
191.14281	1.0
195.13869	1.7
205.15903	0.8
209.15344	2.6
219.05649	1.1
219.20996	0.6
223.16943	2.5
237.18390	0.6
243.21109	1.3
261.22095	4.3
279.09372	2.0
279.23203	38.4
280.23535	1.1
280.26273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Hedaol B
Peak:m/z	Relative Intensity
55.01872	2.3
55.05513	22.6
56.93297	1.7
57.03457	1.8
57.07074	14.8
57.87849	1.6
59.04991	4.9
65.03956	3.1
67.05506	36.2
67.70364	1.4
68.08392	1.4
69.03432	4.3
69.07069	41.6
69.13032	13.9
70.06597	2.1
71.04992	12.2
71.08631	2.5
78.40054	1.6
79.05496	25.4
81.07057	75.4
82.45602	1.6
83.04981	4.6
83.08615	15.0
83.09062	2.1
85.06526	3.6
85.93231	1.4
86.09683	2.0
89.47449	1.4
91.05496	10.4
91.44409	1.7
93.06470	2.4
93.07045	38.5
95.04946	4.5
95.08607	87.3
97.06522	6.6
97.10165	7.1
98.22657	3.4
98.97585	9.5
105.07037	16.6
107.04945	2.7
107.08592	37.9
109.06528	6.6
109.10156	26.8
110.97558	3.6
111.08088	8.4
111.11750	3.4
113.09634	4.2
116.98630	6.6
117.07028	2.8
119.08586	12.6
120.08079	4.7
121.02847	3.0
121.10144	38.0
123.08083	9.5
123.11703	18.3
124.08855	2.8
125.09633	11.2
131.08569	6.3
133.10130	9.0
134.99629	3.2
135.08067	3.0
135.11693	33.2
135.12683	2.3
137.09607	27.7
137.10564	2.8
137.13275	12.6
139.11160	8.1
145.10092	5.5
147.11697	15.0
149.02342	77.2
149.09677	1.5
149.13261	9.1
150.02634	4.1
151.11180	7.7
151.14885	2.1
158.99641	3.0
159.11723	7.5
161.13278	5.4
163.11211	2.0
163.14818	5.0
165.12756	6.2
167.03502	1.6
167.57828	1.8
173.13156	2.2
175.14838	3.8
177.00726	4.7
177.12723	1.7
179.14272	3.3
187.14795	4.3
189.00739	2.4
193.16045	1.7
201.16425	4.2
203.17961	2.7
205.15836	4.4
219.05811	2.3
219.17459	4.2
233.22661	2.4
243.21053	9.3
261.22153	16.5
277.68814	1.6
279.11252	3.7
279.20221	4.0
279.23187	100.0
280.23425	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.89171	0.4
52.96168	0.4
53.03946	1.4
54.39056	0.4
55.01872	0.8
55.05511	10.8
56.05028	1.0
57.03425	1.1
57.07079	2.6
57.07312	0.4
65.03941	3.0
67.05502	96.9
68.05835	1.2
69.07037	10.1
71.04993	0.9
71.08623	1.1
79.05489	13.8
81.07054	100.0
82.07396	1.6
83.04983	1.1
83.08614	5.6
85.06549	1.4
91.05475	4.8
93.07043	12.8
93.07635	0.9
94.06570	0.6
95.04971	1.7
95.08604	80.6
96.08926	1.8
97.06525	1.5
97.10152	3.3
105.07020	3.5
107.08591	8.6
109.06534	1.0
109.10152	47.3
110.10485	0.5
111.08085	0.7
111.11736	1.2
113.09605	0.7
117.07011	1.7
119.08536	2.9
121.06472	0.8
121.10141	8.4
123.08097	1.6
123.11703	25.7
124.12048	0.5
125.09616	0.5
127.07526	0.7
131.08580	4.2
133.10107	3.1
135.08005	1.0
135.11702	4.6
137.09608	0.8
137.13237	8.1
137.14192	0.5
139.11256	0.5
141.09068	0.5
145.10089	2.3
147.11707	2.5
149.02341	2.7
149.09645	1.3
149.13249	2.9
151.11250	0.6
151.14804	2.8
159.11723	2.6
161.13261	1.9
163.11177	1.5
163.14798	1.4
165.12735	0.8
165.16338	1.0
167.10696	1.5
167.14294	0.5
167.55630	0.5
173.13271	3.3
175.14879	0.6
177.12761	1.5
177.16354	0.5
179.14334	1.0
181.12239	1.3
187.14819	2.8
191.14342	1.4
195.13699	2.1
201.16454	0.6
205.15930	0.9
209.15390	2.3
219.21040	0.9
223.16916	2.5
234.75722	0.5
237.18526	1.2
243.21156	1.8
250.25284	0.5
261.22131	4.4
262.25461	0.8
279.09018	0.7
279.19778	1.8
279.23178	38.3
280.23474	1.6
280.26291	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	279.2318
Annotation	Crepenynate
Peak:m/z	Relative Intensity
50.43593	1.1
53.03941	3.0
55.01876	2.6
55.05511	17.5
56.05036	2.1
56.96571	1.1
57.03443	2.2
57.07082	15.1
59.61119	1.0
60.04520	1.3
60.05991	1.1
65.03937	3.1
67.05508	92.7
69.03419	4.0
69.07072	18.9
69.43884	2.0
69.44277	5.7
71.04981	3.0
71.08287	1.9
71.08640	20.9
72.04472	1.2
79.05495	25.9
81.03410	1.9
81.07060	100.0
82.06573	3.7
82.07378	1.2
83.04995	7.0
83.08633	10.9
85.06547	3.1
85.10191	16.6
86.80634	1.1
91.05480	16.2
93.07042	19.2
94.06550	1.8
95.04971	2.1
95.08611	72.6
96.08961	1.4
97.06547	5.1
97.10171	4.2
98.97622	6.1
99.04341	1.3
99.08083	16.5
100.07602	1.8
105.07033	11.8
107.08601	13.8
109.06478	2.3
109.10157	21.7
110.97557	1.6
111.08064	2.8
111.11703	1.3
113.09653	22.1
116.98617	3.7
117.07008	1.6
119.08595	5.9
121.02854	1.4
121.10166	9.1
123.08064	2.0
123.11728	12.4
125.09651	1.8
128.98654	1.5
129.05495	3.7
131.08563	4.6
133.06552	1.6
133.10141	13.4
134.99701	1.3
135.08087	2.2
135.11722	7.6
137.13278	10.0
145.10104	3.0
146.99623	1.3
147.11679	11.3
149.02344	34.1
149.09642	3.2
149.13222	7.2
151.11194	2.3
151.14833	3.1
153.12737	3.6
159.11646	2.8
161.13173	1.9
163.11194	3.9
163.14809	3.9
165.12752	5.3
167.14294	2.1
173.13277	5.0
177.00731	2.0
177.12715	1.6
181.12224	2.3
181.15895	3.2
182.37738	1.1
187.14793	2.7
189.00914	1.5
191.14325	1.9
195.13824	3.8
207.01781	1.4
209.15382	2.9
219.05693	6.5
223.16913	2.3
243.21182	4.6
250.25314	2.8
261.22144	7.5
262.25284	1.4
279.09351	9.7
279.12207	1.8
279.23199	60.2
280.23553	2.8
280.26358	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0817
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
52.29675	0.8
55.01854	0.8
56.05030	0.8
56.56675	0.8
65.59568	0.6
69.38362	2.9
69.38778	1.4
70.06567	2.6
72.08153	5.1
74.06079	1.1
78.76926	0.7
79.65059	0.7
84.08125	2.8
86.09687	2.0
91.05486	1.9
97.25863	0.6
105.07020	1.0
107.52256	0.8
115.05460	1.7
117.05758	1.5
117.06999	2.7
119.04935	1.0
120.08102	6.2
129.10223	1.4
131.04967	0.8
132.08086	4.0
134.08112	1.2
136.07565	1.3
142.06500	1.4
144.08110	1.1
145.05280	1.2
145.06471	7.9
147.09166	1.6
149.02350	1.4
150.02667	2.0
160.07574	51.2
161.07919	1.6
163.03859	0.9
170.05936	1.5
173.04755	1.4
174.05492	3.1
175.06232	0.9
179.08524	0.7
188.07062	99.1
189.07256	4.0
190.08636	2.7
198.05498	2.0
206.08269	4.9
216.06552	62.2
217.06824	2.8
234.07611	100.0
235.07671	9.0
244.06052	31.0
245.06332	1.4
256.02185	0.9
262.07104	63.8
263.07108	10.0
274.03140	1.0
280.08231	14.7
280.18875	1.2
281.08011	5.3
281.14886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1293
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
51.95175	1.2
53.03941	1.3
55.05490	1.5
55.91392	1.2
56.05036	8.3
56.96559	1.5
60.04529	1.4
60.05627	1.1
61.01149	7.3
65.39914	1.3
69.03427	1.5
70.02952	15.8
70.06600	10.1
71.06919	1.2
72.08160	8.1
77.22920	1.4
79.05504	5.1
81.03442	1.8
84.04531	1.6
84.08148	11.8
85.87717	1.2
86.09719	5.7
87.05592	58.4
87.10038	1.4
88.04001	2.4
91.05480	97.7
92.05807	2.0
93.07043	1.9
97.02894	18.5
98.02409	4.5
98.97594	7.0
99.97956	1.2
103.05466	36.8
103.06136	2.3
104.05347	8.6
107.04954	11.5
109.02876	2.6
110.07220	1.2
110.97571	1.5
115.05489	1.8
115.08572	1.3
116.07088	2.7
116.98602	2.0
117.05739	1.4
117.07045	3.8
119.04943	2.7
120.08106	98.1
120.33800	1.0
121.08447	2.2
123.07935	6.3
129.07018	6.2
129.10258	4.4
130.06535	14.2
131.04930	15.5
132.08099	3.8
136.03897	1.7
136.06178	2.3
136.07581	7.7
137.07878	1.2
142.06514	1.4
144.08084	7.1
145.06496	12.2
147.09180	6.4
149.02319	4.0
149.05986	6.5
150.02715	4.0
150.05855	1.7
154.06540	5.9
157.06511	14.9
157.61850	1.2
158.05896	1.7
160.07582	41.0
166.08632	28.9
167.29179	1.3
170.05974	2.7
171.04581	1.6
172.07570	25.0
173.08026	1.4
174.05540	2.7
175.08676	64.7
176.07141	2.4
176.08897	1.2
177.00684	1.8
182.06036	24.3
183.06415	1.3
188.07074	75.5
189.07455	1.9
189.10205	2.3
190.08592	2.6
198.05565	2.1
200.07062	100.0
201.07454	3.3
203.08134	5.0
206.08122	3.1
216.06560	43.5
217.06934	1.6
217.09732	6.5
221.09203	44.6
228.06631	3.8
234.07614	71.9
234.12401	12.7
235.07932	2.5
244.06087	21.4
245.06882	1.8
245.09186	10.3
246.07614	65.2
247.07944	3.3
254.03404	1.2
261.03131	1.2
262.07117	42.3
262.11880	2.0
263.07578	2.2
263.10245	20.3
264.10678	1.5
280.08182	11.3
280.12927	2.1
280.16046	1.8
281.10693	2.5
281.14987	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1497
Annotation	3061-91-4
Peak:m/z	Relative Intensity
51.49907	0.3
51.54841	0.3
51.58251	0.3
53.03959	0.3
55.05514	13.6
56.05030	0.7
56.96564	0.7
57.05820	1.3
70.06572	0.8
70.80107	0.9
72.08159	100.0
73.07911	0.3
73.08493	1.3
73.19617	0.3
74.06075	0.3
75.21226	0.3
76.92607	0.4
84.08164	1.2
86.09716	0.4
89.03956	0.3
91.05484	10.1
93.07081	0.8
98.97578	1.6
103.05459	1.6
103.07581	0.3
107.04929	0.4
116.98660	0.5
118.06545	0.5
118.08675	0.3
119.04946	8.0
120.08110	32.2
121.06535	0.9
121.08443	1.4
121.79055	0.3
122.75489	0.3
123.04426	2.5
128.98636	0.4
129.10197	0.3
136.07581	42.8
137.07899	0.9
147.04381	0.9
150.07768	4.6
163.03949	0.5
165.04085	0.6
165.05472	5.0
182.08134	11.3
198.58607	0.3
215.13815	0.4
235.14403	1.5
264.12332	0.5
281.11761	0.6
281.15018	3.7
282.14374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1496
Annotation	L-tyrosyl-L-valine
Peak:m/z	Relative Intensity
55.05510	2.1
56.05022	0.9
56.96558	0.6
65.03944	0.4
70.06578	0.4
71.20475	0.6
72.08156	16.3
74.06083	0.6
84.04512	0.6
84.08138	0.6
85.02879	0.3
86.09710	0.3
88.03970	0.5
91.05479	25.2
92.05806	0.4
93.07063	0.3
98.06047	0.5
98.97574	1.6
103.05460	0.5
107.04964	0.8
109.06519	0.5
110.07142	0.3
116.07085	0.9
116.98628	0.7
118.06535	1.0
118.08667	1.6
119.04943	17.9
120.05248	0.4
120.08113	3.5
121.06506	2.8
121.08462	0.4
123.04437	0.3
129.10243	0.3
134.99562	0.2
135.04454	0.4
136.07574	100.0
137.07922	2.5
141.10202	0.7
147.04449	0.5
150.07765	3.4
158.99646	0.5
163.03893	0.9
165.05545	0.7
182.06580	0.4
182.08145	1.5
189.07263	0.3
215.13927	0.8
218.11760	0.3
235.07715	0.3
235.14433	2.0
236.12756	0.9
264.12357	1.2
277.10690	0.5
278.08362	0.3
281.08109	0.4
281.15005	4.0
282.11658	0.4
282.14310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1901
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
53.03926	0.9
55.01867	0.6
55.05518	6.2
56.05040	0.9
56.05846	0.8
57.03416	1.1
57.07065	2.7
65.03925	1.0
67.05503	9.1
67.99091	0.5
68.05029	0.7
68.05824	1.0
69.03433	1.0
69.07074	7.0
69.09247	2.7
69.09678	2.4
71.04988	1.2
71.08636	0.8
79.05493	5.8
80.05843	0.6
81.07060	9.6
82.07389	1.0
83.04991	1.3
83.08608	3.4
84.08933	0.6
85.33275	0.6
91.05482	8.9
93.07058	5.1
94.07404	0.8
95.04971	46.6
95.08602	6.9
96.05322	0.6
96.08918	0.8
97.10176	2.5
98.22551	1.0
99.71648	0.5
103.05476	0.9
105.07030	15.4
107.08601	4.9
108.05787	1.4
109.06514	4.4
109.10169	3.5
111.11706	1.1
112.11089	0.6
115.05437	3.1
116.06232	1.0
117.06995	4.2
119.04934	0.8
119.08578	11.8
121.06509	11.2
121.10142	2.2
122.10463	0.7
123.08090	0.9
128.06207	2.1
129.07010	3.8
130.07811	1.0
131.08568	23.2
133.06525	5.0
133.10117	9.0
135.08051	31.9
135.11684	0.8
136.08409	1.2
136.27036	0.6
137.09633	0.8
141.06976	1.4
142.07782	2.6
143.08549	8.3
144.09311	1.4
145.10115	6.3
146.07208	0.9
147.08087	1.5
147.11679	3.4
149.09673	0.9
153.06952	0.9
155.08537	2.7
156.09340	2.5
157.10120	5.6
158.10886	5.1
159.08096	3.6
159.11681	1.6
161.09607	4.7
161.13281	1.2
165.07007	1.5
165.30591	0.7
166.07756	0.8
167.08542	2.2
168.09317	0.9
169.10155	3.2
170.10913	0.7
171.11691	3.6
173.09543	1.8
173.13266	19.3
174.13640	1.4
175.11212	1.4
179.08572	2.1
180.09319	1.5
181.10127	4.1
182.10883	2.0
183.11697	4.3
185.09552	1.3
185.13263	1.0
187.11104	0.8
192.09314	2.0
193.10158	4.2
194.10899	1.2
195.08046	1.5
195.11790	3.2
196.12425	1.6
197.09708	2.8
197.13312	3.4
199.11127	1.5
199.14775	1.3
205.10059	0.9
206.10912	2.2
207.11736	5.3
208.12465	2.0
209.09683	1.2
209.13257	2.0
210.10378	2.0
211.11243	1.9
211.14796	1.2
212.11981	0.8
213.12755	2.0
219.11694	1.9
219.21117	0.5
220.12564	1.5
221.13242	3.5
222.14030	1.5
223.11143	2.3
223.14825	4.8
224.11992	1.1
225.12759	9.1
233.13310	2.4
234.14084	0.9
235.14938	1.0
237.12746	1.9
237.16393	1.9
238.13567	1.0
238.17090	1.0
239.14262	2.6
239.17867	1.1
240.15137	0.7
245.22696	1.7
248.15630	2.3
249.16397	2.0
251.14322	8.1
251.25642	1.3
253.19531	1.2
263.17975	5.7
263.23566	0.7
266.16681	2.8
267.17392	2.6
281.19000	100.0
281.26688	13.3
282.19498	7.2
282.27823	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	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56588	0.7
56.96564	13.2
70.06597	2.5
70.65512	0.8
70.65832	0.9
70.98132	0.8
71.95272	3.6
72.08164	2.7
74.06078	1.2
77.27793	1.0
84.04518	1.0
84.08172	4.3
85.02917	1.5
86.09728	2.2
86.19382	0.8
91.05499	0.8
95.04942	0.8
95.06113	3.3
97.02910	1.1
98.97586	100.0
102.05582	0.8
105.52570	0.7
110.07178	2.0
112.00719	0.8
112.08750	1.8
116.98622	44.9
119.01926	1.1
119.04952	1.0
120.08115	2.3
121.08488	1.1
133.41193	0.8
134.99652	9.9
136.07608	2.3
137.07906	1.0
150.07755	51.5
153.00720	1.6
164.58127	0.8
170.09224	1.0
177.25383	0.7
178.00995	0.9
182.08208	0.8
193.03165	4.5
201.00789	1.0
213.07257	1.0
215.02362	1.0
216.98712	1.3
219.01801	0.8
233.03471	1.0
234.99850	1.1
240.98769	3.5
241.08586	1.1
253.07318	1.3
258.96960	1.9
258.99744	40.1
259.09741	2.1
260.00015	1.9
277.00806	67.2
277.10730	6.1
278.00873	4.1
282.11905	2.7
282.17874	0.8
282.99991	1.3
295.11908	1.3
300.02576	1.1
301.00922	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	282.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
57.03442	4.4
58.99873	2.6
61.02923	3.0
68.54606	2.0
69.03431	6.3
70.06576	2.3
70.65839	2.7
70.97796	2.1
72.08155	19.0
73.02915	19.7
73.08495	5.8
73.53291	2.2
85.02893	12.3
95.06085	44.5
97.02879	10.9
100.02718	2.5
101.00874	5.6
109.03094	2.0
112.08733	22.7
113.00830	3.1
119.01961	3.7
123.02954	2.8
125.02345	7.9
127.03929	6.3
131.01912	8.3
136.06201	2.1
136.07555	13.7
138.03458	3.4
138.05507	8.3
138.53525	2.7
143.01909	13.6
145.04948	2.4
147.03943	3.2
150.07756	100.0
153.03947	7.9
153.54144	2.1
155.01906	8.4
159.05064	3.5
161.03003	11.5
162.04576	5.3
165.30832	2.3
167.01888	5.4
173.02956	14.9
174.03169	2.4
174.04517	9.9
182.08218	2.8
183.05035	29.4
183.55154	5.8
185.03021	11.0
186.73163	2.3
192.05565	33.1
192.55649	4.6
203.04008	12.3
218.09244	22.2
221.05115	3.2
240.07030	2.4
245.04926	3.3
264.09833	6.4
282.04907	34.9
282.08182	3.6
282.11096	8.2
282.14285	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	282.12
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01876	1.1
57.03428	1.5
61.29580	0.7
69.07088	1.0
70.06609	1.1
70.63185	0.9
70.63510	1.4
73.02908	1.1
74.57151	0.8
78.10494	0.8
83.49801	0.7
84.04481	0.9
85.02906	1.5
86.42683	0.8
88.04008	1.2
93.12847	0.7
94.04073	0.9
95.08530	1.0
96.22356	0.8
98.97586	3.1
105.07175	0.7
116.98624	2.0
120.08124	3.7
121.08466	3.9
123.06661	1.0
126.04653	0.7
128.12347	0.7
129.88422	0.8
132.94775	0.7
134.99677	1.2
136.06184	12.5
137.06602	0.8
139.53421	0.8
150.07755	100.0
151.08034	1.2
157.77299	0.8
167.09050	1.2
188.58026	0.8
191.43819	0.8
201.07469	1.0
236.11089	1.2
258.99750	1.3
264.12482	0.9
277.00714	2.4
282.11948	12.7
282.16888	1.4
282.22067	1.5
300.05951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47130	2.3
53.03963	2.4
55.05507	4.3
56.96560	7.7
57.03440	5.1
61.02929	8.9
69.03430	17.4
70.06612	2.7
70.11261	2.2
71.05011	2.5
71.20874	2.3
72.08156	20.4
73.02927	5.8
73.08473	6.6
77.25867	2.1
81.03404	3.4
84.08150	5.3
85.02904	85.6
85.06538	10.0
86.09732	2.5
87.04488	2.9
91.03948	6.2
95.06122	2.7
97.02899	21.1
98.97588	54.0
99.04468	4.7
100.98055	2.2
109.02911	8.6
110.41146	2.4
112.08801	2.2
116.98629	26.0
120.04457	4.3
120.08112	6.2
121.08453	11.1
127.03917	24.4
129.10242	2.3
134.99660	9.4
135.96819	1.9
136.07565	4.8
145.04951	48.5
150.07756	100.0
163.03960	2.8
163.05997	14.0
163.21469	2.1
183.08481	2.6
193.03206	6.6
229.10844	2.5
258.99759	21.5
277.00821	30.0
278.01068	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	282.2064
Annotation	scalusamide A
Peak:m/z	Relative Intensity
50.39057	0.2
51.02357	0.3
53.03947	0.3
55.01862	0.4
55.05519	1.7
55.52992	0.2
56.05025	0.5
56.96546	0.2
57.03417	0.3
57.07085	0.2
58.06601	0.6
61.49157	0.2
65.03940	0.3
66.63301	0.2
67.05506	3.6
68.05023	0.7
69.07070	2.5
69.81600	0.9
70.06593	5.3
71.04996	0.5
76.94115	0.2
79.05496	3.3
80.05005	1.1
81.05783	0.4
81.07053	3.1
82.06579	1.3
83.05013	0.3
84.08141	0.7
85.01112	0.5
85.06519	0.4
86.03917	0.2
89.69401	0.2
91.05482	3.4
93.05772	0.3
93.07041	3.5
94.06569	4.1
95.07347	0.6
95.08619	2.3
96.08136	4.1
97.01086	0.4
97.02917	0.3
97.06516	0.4
98.09698	0.9
98.97577	1.0
105.07027	3.3
106.06533	0.3
107.07345	0.8
107.08584	1.4
108.08118	3.8
109.08930	2.6
109.10165	0.4
110.09692	1.6
112.07609	0.3
115.05428	0.4
116.98608	0.9
117.07005	0.9
119.08583	1.7
120.08118	1.0
121.06499	0.2
121.08870	0.4
121.10126	0.6
122.09671	5.9
123.10472	0.4
124.11246	1.1
126.79142	0.2
127.09921	0.8
129.06935	0.4
131.08554	0.8
132.08101	0.5
133.06386	0.2
133.10165	1.3
134.09662	1.1
134.99628	0.4
135.08067	0.4
136.11206	1.2
140.10706	1.2
143.08508	0.4
145.10110	1.6
146.09683	0.4
147.02620	0.4
147.11650	0.9
148.11185	1.2
150.12764	0.6
152.01677	0.3
156.10170	0.3
159.11705	0.3
160.11212	0.6
161.09550	0.3
162.12820	1.9
171.11743	0.3
178.08588	0.3
178.12341	0.6
180.13745	0.3
190.15904	0.4
218.06332	0.7
224.16446	0.4
228.17589	0.3
244.17059	0.7
246.18538	2.9
258.99792	0.8
262.18054	0.3
264.19598	13.0
265.20038	0.5
277.00882	1.1
282.08237	2.2
282.20633	100.0
283.08246	0.3
283.21002	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	282.2794
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.08320	2.2
55.05516	13.3
56.05040	21.9
56.96574	2.6
57.07068	6.9
67.05508	17.3
69.07072	12.9
71.08601	4.2
79.05486	7.8
79.16312	2.7
80.94849	3.0
81.07053	11.1
82.06586	4.4
83.04963	3.1
83.08620	8.2
85.55456	2.0
89.06029	2.6
93.07011	3.9
95.08610	10.1
96.08103	2.5
98.97610	12.9
100.07625	2.4
100.87548	2.2
102.73698	2.1
107.08582	4.0
109.10139	3.0
109.67431	2.5
116.98613	8.4
121.10102	3.1
134.99652	4.5
164.92061	2.7
190.08644	2.7
202.85088	2.5
233.00537	2.2
252.26851	14.3
258.99762	4.0
264.26855	9.7
268.13693	2.7
277.00812	7.6
282.13425	4.4
282.27911	100.0
283.28268	4.2
284.03650	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.279
Annotation	Dodemorph
Peak:m/z	Relative Intensity
53.10243	0.5
53.61278	0.4
55.05513	14.0
56.05029	0.6
57.03423	1.0
58.06605	3.3
65.03895	0.5
67.05505	9.2
68.26136	0.6
69.06744	0.7
69.07070	8.6
69.87764	1.3
70.06595	23.5
79.05474	1.1
81.06602	0.7
81.07055	10.8
82.06567	0.7
83.08623	5.9
84.08116	1.1
93.07039	1.3
95.08607	10.5
96.08136	0.7
97.10143	1.9
98.09695	2.4
98.97596	1.0
109.10149	4.2
147.20924	0.5
178.72691	0.5
182.19081	1.4
193.43407	0.4
222.22252	0.5
236.23685	0.7
264.26862	74.3
265.27203	2.2
270.41577	0.5
282.27911	100.0
283.28235	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69304	3.5
55.05505	13.5
57.03428	10.7
60.23485	3.7
61.25727	4.0
62.82944	3.7
67.05492	24.9
69.07063	10.8
69.75217	17.8
71.04993	4.1
75.94225	3.5
78.03552	3.9
79.05087	5.2
79.05484	26.2
81.07055	24.4
83.04987	5.0
83.08604	12.1
91.05471	11.3
93.07047	42.3
95.04968	8.4
95.08601	39.6
97.06552	7.6
98.97557	8.2
99.04485	4.7
99.43393	4.1
105.07007	6.9
107.04942	8.3
107.08596	28.5
109.10120	5.8
116.98645	9.1
117.07034	12.1
119.08566	14.5
121.06506	5.3
121.10138	15.0
125.05995	5.2
133.10202	5.9
135.11694	54.2
145.10133	31.1
153.52316	4.0
163.11191	67.6
181.12213	16.9
183.28474	3.7
221.42035	4.4
227.12787	100.0
283.15506	20.9
284.22092	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90122	1.1
53.03947	2.9
55.01867	4.9
55.05509	11.3
57.03438	12.7
59.41302	1.1
67.05185	1.4
67.05508	19.0
69.03434	1.8
69.07070	11.7
70.06599	1.6
71.04990	3.6
73.02913	2.6
79.05489	30.4
81.03411	3.7
81.07056	26.1
83.04954	5.8
83.08624	8.9
91.05463	13.3
91.05949	1.5
93.07040	43.5
93.77040	1.4
95.04980	9.6
95.08605	41.8
97.02902	5.9
97.06513	6.4
99.04472	5.6
105.07025	10.7
107.04967	12.4
107.08592	30.0
109.06532	2.6
109.10172	4.1
110.07197	1.4
111.04461	2.5
111.08073	1.6
113.06028	1.8
117.07030	10.7
119.08586	12.8
121.06486	7.1
121.10133	17.8
125.05998	3.6
129.06888	1.9
130.07808	2.4
131.08609	1.9
133.06392	1.6
133.10139	3.1
135.08125	2.4
135.11693	53.7
139.07558	3.0
143.08556	2.3
145.06465	1.5
145.10123	35.6
155.08595	1.8
161.09601	1.3
163.11174	71.6
164.11531	3.9
165.09117	1.1
173.09607	1.8
179.07031	1.7
181.12201	13.9
223.08702	1.1
227.12775	100.0
228.13179	3.4
228.22066	1.2
229.06978	1.3
239.09175	2.2
255.11032	1.5
283.15326	22.5
283.20084	1.7
284.22003	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.23231	0.2
56.96571	1.5
57.03427	0.3
59.05008	0.2
69.07081	0.2
69.72485	0.4
69.72875	0.5
70.06588	1.8
72.08154	0.8
73.02939	0.2
82.04041	0.2
84.08145	0.7
86.09702	3.6
94.95943	0.2
98.97582	3.1
101.00874	0.8
109.05121	0.7
110.03520	2.9
110.07143	1.0
116.98634	1.4
119.01936	1.7
128.04564	0.9
134.04620	0.4
134.99713	0.7
135.03015	6.0
136.06194	0.3
136.07539	0.3
137.02917	0.2
141.10210	0.3
142.07144	0.4
152.05673	100.0
153.04092	6.7
153.06076	1.4
156.07695	0.3
158.99904	0.8
160.08203	0.4
160.69470	0.2
166.54865	0.2
172.08229	1.1
173.06697	0.2
177.00954	3.8
178.01051	0.4
189.04330	0.3
201.00949	0.5
206.07030	0.3
213.12318	0.3
215.49554	0.2
217.04010	0.7
218.99971	0.4
219.02003	5.6
220.02138	0.6
224.08040	0.3
225.00883	0.6
243.01970	2.4
244.01886	0.2
261.03052	29.3
262.03180	3.5
275.18237	0.4
278.01120	0.2
279.00739	1.0
284.00021	0.5
284.04581	0.5
284.99896	0.5
285.16470	0.9
292.98920	0.2
302.01257	1.1
303.00613	0.3
303.17581	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	284.1856
Annotation	Amabiline
Peak:m/z	Relative Intensity
56.05035	1.2
58.06598	100.0
59.06930	1.1
68.55948	0.2
69.07075	0.3
69.07983	0.5
69.08395	1.5
70.06600	1.5
72.08150	1.9
73.05295	0.9
86.09715	1.1
88.07628	1.8
94.06597	0.3
95.04958	0.7
96.08135	0.3
98.22621	0.4
105.06987	0.3
110.07175	0.6
110.09669	0.8
114.09161	0.2
118.08646	2.4
119.08566	0.3
120.08096	0.3
122.09669	4.9
123.10467	0.8
140.10686	2.5
161.49194	0.2
221.49786	0.2
235.00281	0.3
235.13356	0.4
246.76712	0.2
266.17471	0.6
279.54538	0.3
284.18542	25.2
285.18784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1856
Annotation	Amabiline
Peak:m/z	Relative Intensity
56.05039	1.3
58.06599	100.0
59.06944	0.9
59.61251	0.3
67.91584	0.3
69.34012	0.3
69.63927	1.4
70.06599	0.9
72.08152	0.6
73.05312	0.9
79.05468	0.5
84.08140	0.3
88.07632	2.2
96.08150	1.1
96.25580	0.3
98.97582	0.5
98.98473	0.3
100.11336	0.4
110.07172	1.1
112.07555	0.3
114.09171	2.9
118.08662	2.5
120.08163	0.6
131.08540	0.3
136.06168	0.4
138.05333	0.4
151.07657	0.3
188.06885	0.8
207.63318	0.3
222.14940	1.0
248.16393	0.4
252.67064	0.3
266.17499	0.6
284.18558	25.7
284.29526	0.5
285.12173	0.9
285.18735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2221
Annotation	epi-Tumonoic Acid D
Peak:m/z	Relative Intensity
52.92821	0.5
53.03933	0.8
55.01867	0.9
55.05513	2.8
56.05035	1.0
57.03425	1.3
58.06598	3.1
59.62824	0.4
64.65660	0.5
67.05508	7.0
68.05017	0.6
69.07070	2.9
69.48614	1.0
69.49026	1.2
70.06592	14.1
72.08160	2.7
79.05069	0.5
79.05496	6.7
80.05024	0.4
81.03395	1.0
81.07053	10.4
82.06570	1.8
83.04940	0.7
83.08616	1.3
84.08134	1.5
85.02910	0.6
85.06537	1.2
86.09709	7.8
89.06018	1.1
91.05488	4.9
91.76654	0.5
93.07040	6.7
94.06535	1.0
95.04948	1.4
95.07326	0.7
95.08610	5.2
96.08123	3.1
97.06515	1.3
97.08898	0.5
98.06052	0.4
98.09676	0.9
103.05482	0.4
105.07023	3.4
107.04957	0.8
107.08588	4.3
108.08114	1.7
108.08793	0.5
109.06518	1.2
109.10150	1.7
110.07161	1.5
110.09687	1.7
111.08064	0.5
116.07027	0.5
117.07033	1.0
119.08585	2.6
120.08099	1.4
121.06490	2.0
121.10117	2.7
122.05997	0.4
122.09615	1.0
123.08073	0.8
123.11674	0.5
124.11263	0.5
125.02305	0.9
128.06198	0.6
129.06998	1.1
130.06519	1.5
131.07289	0.4
131.08551	1.3
132.08105	0.5
133.10121	1.7
134.06093	0.4
135.11714	0.9
138.12784	0.6
143.11787	1.4
145.10114	1.1
147.11670	2.6
149.09676	0.7
155.08392	0.5
157.10081	0.9
164.10782	0.5
165.12741	1.0
173.13272	0.6
175.11264	0.5
192.10188	6.1
193.12273	0.7
195.09146	0.5
217.19098	0.5
220.09744	4.9
220.20566	1.0
224.12737	0.8
229.14418	1.5
238.09244	0.6
239.03374	0.5
246.18544	0.6
248.17491	0.6
248.20096	11.6
249.20436	0.6
252.12288	1.0
257.11792	0.7
266.21146	40.5
267.21442	1.7
284.22195	100.0
285.12036	1.2
285.22528	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	284.2221
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03942	0.4
55.01877	0.5
55.05513	1.7
56.05029	1.1
56.65432	0.4
57.03442	1.8
58.06603	5.1
65.03944	0.5
66.80759	0.3
67.05243	0.3
67.05513	4.2
69.03412	0.6
69.07076	1.8
69.36934	2.3
70.06596	2.9
72.08151	2.4
79.05486	3.6
80.07346	0.3
81.07056	6.7
82.06592	0.9
83.04977	0.5
83.08610	1.1
84.08144	5.0
85.02874	0.4
85.06554	0.9
86.09704	1.8
88.07623	0.6
91.05483	1.6
93.07050	6.0
95.04965	0.5
95.08604	5.7
96.08139	2.6
97.06525	1.3
97.94540	0.4
98.09683	2.2
99.08118	0.4
100.11295	0.4
105.07018	2.0
107.04997	0.3
107.08578	3.2
108.08115	0.4
109.06491	0.4
109.10162	1.6
110.07147	1.0
110.09682	2.9
111.08086	0.6
111.10476	2.1
112.11250	0.8
113.05978	0.4
116.98578	0.4
117.07035	0.6
119.08582	2.4
121.06503	0.8
121.10142	3.3
123.08059	0.4
124.11231	2.2
124.16634	0.4
127.07548	0.4
128.10719	5.9
131.08554	0.5
132.78557	0.4
133.10094	1.7
135.11693	2.4
137.09641	1.0
143.08542	0.6
143.11784	0.4
145.10109	2.1
147.08026	0.4
147.11635	0.6
149.09621	0.6
149.13293	0.5
154.99632	0.3
156.07741	0.7
157.10211	0.5
163.11197	1.2
175.11143	0.5
177.12851	0.4
179.14252	0.6
187.93648	0.3
199.14761	0.4
217.15907	0.4
235.16914	0.4
240.15814	0.4
248.20107	0.7
256.07080	0.4
266.21146	15.1
278.01379	0.4
284.06647	1.3
284.22198	100.0
285.13080	0.5
285.22467	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	284.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
56.05041	2.1
57.03446	1.7
58.06314	0.9
58.06602	15.0
65.03948	0.6
65.28784	0.4
67.05507	15.9
69.03551	3.4
69.07067	2.0
70.06259	0.4
70.06585	2.0
72.08147	3.1
79.05489	4.4
81.07059	19.0
82.06577	0.8
83.04967	1.0
83.08611	1.4
84.08146	3.1
85.06541	1.4
88.07639	0.6
91.05479	2.5
93.07044	9.7
95.07352	0.4
95.08609	7.9
96.08113	1.3
97.06515	0.8
97.08914	1.0
98.09692	0.7
98.23374	0.8
105.07036	1.4
107.08582	3.9
109.06525	1.1
109.10159	1.2
110.07170	1.1
110.09697	0.9
111.08082	0.6
114.09174	0.4
117.07005	1.1
119.08577	1.5
121.06526	0.6
121.10158	1.6
123.08082	0.4
128.10753	0.6
130.06543	0.4
131.08574	1.1
133.10135	1.3
134.95203	0.4
135.08044	0.8
135.11694	5.5
145.10165	0.8
149.13245	1.9
154.15889	0.7
156.17477	0.4
159.11662	1.9
163.11246	0.7
177.12775	0.9
248.20006	0.4
266.18234	0.7
266.21152	14.7
267.21478	1.0
284.22198	100.0
285.22528	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	284.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05570	0.2
53.03938	0.3
55.05517	2.1
56.05035	0.5
57.07078	0.2
58.06600	0.6
65.53471	0.2
67.05505	2.7
68.05020	0.9
69.03434	0.4
69.07072	3.6
70.06593	2.3
71.29804	0.4
72.08163	0.5
79.05508	2.1
80.05014	0.5
81.05830	0.3
81.07064	2.9
82.06583	1.7
82.10767	0.2
83.04977	0.3
83.08631	0.5
84.08132	0.8
85.06620	0.2
86.09710	4.6
91.05469	0.9
93.07047	2.6
94.06566	2.3
95.04967	0.3
95.07355	0.5
95.08611	1.6
96.08123	5.1
97.06531	0.3
98.06049	0.3
98.09718	0.5
105.07025	0.8
106.06581	0.4
107.07329	1.0
107.08608	1.0
108.08114	2.7
108.96796	0.2
109.08892	0.9
109.10143	0.8
110.07125	0.3
110.09673	1.9
117.07012	0.3
119.08632	0.6
120.08095	0.6
121.10136	0.5
122.09660	0.9
123.08011	0.3
124.11237	0.2
133.10124	0.4
135.11664	0.3
136.11148	0.4
143.11778	1.2
152.14323	0.6
155.71385	0.2
171.11414	0.4
173.13318	0.3
174.40675	0.2
180.17490	0.2
208.16925	0.4
218.19058	0.4
220.20679	0.7
226.18004	0.6
246.18477	1.1
248.20096	14.9
249.20493	0.7
264.19556	0.5
266.21155	21.6
267.21469	1.2
284.22195	100.0
285.12408	0.9
285.22531	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	284.2948
Annotation	Octadecanamide
Peak:m/z	Relative Intensity
53.03923	0.9
55.05513	15.2
57.03397	2.9
57.07073	5.2
58.06601	4.9
67.05505	14.6
69.07070	14.9
69.07428	0.7
70.01534	3.0
70.06595	14.3
71.08586	1.6
71.23543	0.9
79.05440	1.2
81.07062	16.3
83.08617	9.6
84.08099	1.4
85.10159	0.7
88.07632	0.7
91.05464	1.0
93.07006	1.2
95.08067	0.9
95.08601	13.6
97.10170	6.5
98.09663	1.0
98.97575	0.7
102.09103	1.3
105.07000	0.7
109.09483	0.7
109.10149	7.9
111.11695	2.2
123.11676	2.8
165.16417	0.8
169.67950	0.7
184.20538	0.9
221.30159	0.8
266.28415	100.0
267.28717	5.7
284.29468	36.7
284.31982	0.5
285.29803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05303	0.8
55.05513	8.2
56.05030	2.2
57.03429	1.6
57.07071	4.1
57.53220	0.7
58.06591	2.4
61.55147	0.7
62.90671	0.9
67.05502	10.0
69.07066	9.7
69.59168	4.9
70.06588	10.2
71.08639	1.3
74.06087	1.3
79.05473	2.2
81.07053	12.9
83.08618	5.8
84.08128	1.6
87.93443	0.8
91.72881	0.8
95.08604	12.0
97.10168	4.5
98.09707	4.3
98.23318	1.9
109.10146	5.6
123.11752	1.6
129.55209	0.8
167.05931	0.9
180.78564	0.9
193.42097	1.0
198.21939	0.9
198.48996	0.9
215.01947	0.8
238.25340	1.8
266.25302	1.9
266.28406	28.8
284.29465	100.0
285.18488	1.3
285.21915	1.2
285.29749	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	284.2948
Annotation	(2r,6s)-4-dodecyl-2,6-dimethylmorpholine
Peak:m/z	Relative Intensity
50.94112	0.3
55.05513	8.5
56.05011	0.9
57.03411	0.9
57.07077	2.9
58.06605	3.8
65.28748	0.3
67.05505	6.2
68.76573	0.4
69.07071	8.1
70.06594	19.9
74.57894	0.3
78.61725	0.3
79.05492	0.4
81.06593	0.4
81.07053	5.6
82.06537	0.3
83.08620	5.9
84.08110	0.6
85.10143	0.4
92.33336	0.3
92.46732	0.3
93.07043	0.3
95.08608	7.0
97.10168	2.5
98.09714	2.2
98.23326	0.8
109.10153	2.5
111.30174	0.3
123.11736	0.5
166.77992	0.4
184.20618	1.7
231.82471	0.4
238.25285	0.7
266.28427	68.0
267.28772	4.4
283.38751	0.3
284.29474	100.0
285.29800	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	285.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
56.05018	0.8
56.96566	5.0
58.99862	0.8
67.05485	0.5
69.07053	1.5
69.25584	1.1
69.25993	2.2
70.06590	12.3
71.95268	0.6
72.08157	3.2
74.06065	0.5
80.04987	0.5
80.94956	1.3
81.03410	1.4
82.99868	0.5
83.06087	1.2
84.04483	1.4
84.08138	4.6
84.96011	0.5
85.52058	0.4
86.09705	48.5
91.02409	0.5
91.05461	0.7
93.04506	0.4
93.39896	0.5
97.02877	0.5
98.22636	1.0
98.97585	11.0
99.97916	0.7
101.00889	5.4
102.00947	1.1
102.96830	1.2
103.76842	0.4
107.04896	0.6
109.02859	0.8
110.03529	1.0
110.07162	4.3
112.07568	1.1
116.07076	1.1
116.98633	6.4
117.98972	0.5
119.01920	15.5
119.05025	0.6
119.37142	0.4
120.02003	3.1
120.97946	0.6
121.01659	0.8
124.03957	8.4
124.07593	0.5
129.10249	1.6
131.01913	0.9
134.99695	2.2
135.03029	1.6
136.03375	0.9
136.06287	0.5
136.07581	1.9
137.02954	4.0
140.07037	1.3
141.03947	1.4
144.05035	3.6
144.52574	0.5
145.03424	0.8
152.05673	23.6
153.00771	0.5
153.03905	1.0
153.06133	19.9
154.04492	0.8
157.03467	1.7
158.99869	1.3
159.05026	1.3
159.99965	1.2
160.99695	0.7
169.03421	0.9
171.04968	1.5
172.04532	4.4
173.06483	0.9
174.97678	0.9
175.02850	0.6
175.04462	1.1
177.00970	10.6
178.01044	12.1
179.00708	5.7
182.04251	0.7
185.02931	1.6
186.09753	0.7
190.05588	9.7
192.98703	0.7
199.04520	2.8
201.00888	2.4
202.01126	1.7
203.02477	1.7
205.00407	0.7
209.03003	0.5
214.09290	1.0
215.02443	0.8
216.98839	0.9
217.05592	3.9
218.04170	2.4
218.98743	0.7
219.02017	11.9
219.03902	1.0
220.02112	16.7
221.01773	6.6
222.16071	0.5
223.12755	0.8
225.02628	0.8
226.00890	2.3
227.03947	1.7
232.10326	1.5
232.96516	1.4
234.99811	1.6
236.99908	1.2
239.12469	1.3
241.05525	1.2
243.01889	7.5
244.02089	8.9
245.01888	1.5
245.05078	1.8
250.49069	0.6
250.97435	0.5
257.13464	2.3
259.06628	0.6
260.96091	0.5
260.96976	0.6
260.99997	2.9
261.03021	26.8
262.03186	100.0
263.02847	29.1
264.60437	0.6
267.03351	0.6
273.03137	0.5
279.00433	2.3
280.00912	1.0
281.00067	0.8
284.96326	1.0
284.99841	6.2
285.04611	3.9
285.12906	6.0
286.04407	1.2
286.09106	1.1
302.93988	0.8
302.97229	2.2
303.00928	10.3
303.04904	0.7
303.13992	11.4
304.00955	1.3
304.14288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73017	2.0
55.01867	7.9
55.05510	16.7
57.03436	18.9
57.07070	5.7
59.30836	1.9
67.05180	2.8
67.05508	34.4
69.07064	19.7
69.94148	7.4
71.04994	4.9
71.08603	2.5
72.04512	3.4
72.67874	2.0
79.05508	18.1
81.07056	100.0
83.04961	8.8
83.08595	9.5
85.06543	4.9
91.05482	24.3
93.07043	11.1
95.04976	2.7
95.08607	24.5
97.06509	6.6
99.08083	2.9
105.07037	34.3
107.08617	13.1
109.06529	4.7
109.10120	2.9
117.53185	2.1
119.08580	26.7
121.10151	20.2
123.08052	4.1
123.11716	25.6
125.08330	2.1
127.07553	2.5
136.86870	2.0
137.13268	3.1
147.11690	70.9
157.10126	4.5
165.12762	43.7
183.13779	2.8
206.58406	1.9
224.85123	2.0
229.14272	5.5
267.15939	6.4
284.29480	7.9
284.32880	3.6
285.16959	34.4
285.29865	48.6
285.33072	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.5
55.05515	15.7
57.03437	28.2
57.07075	3.7
61.10208	2.4
65.03956	2.4
67.05505	35.3
69.07079	20.1
71.04977	4.4
73.44479	2.4
79.05493	16.7
81.07057	100.0
83.04971	10.8
83.08617	8.5
85.06551	6.8
91.05482	25.4
93.07042	15.2
95.04999	2.9
95.08606	30.8
97.06513	6.2
99.08070	3.1
105.07024	42.0
107.08627	11.2
109.06523	6.0
109.10168	2.5
119.08592	28.9
121.10149	23.0
123.08067	4.1
123.11708	25.5
125.94052	2.2
127.07564	3.7
129.07066	3.3
137.13254	2.9
144.95265	2.6
145.12978	2.1
147.11685	67.8
152.61389	2.3
165.12752	39.3
183.13687	4.8
229.14334	6.5
230.58252	2.6
267.15918	5.0
285.16910	28.7
285.29895	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	8.4
55.05275	1.3
55.05513	13.8
57.03437	19.4
57.07062	2.1
59.05018	1.2
64.83408	0.9
65.03934	1.4
67.05505	35.8
69.06734	1.5
69.07072	18.4
69.07432	0.9
69.39078	5.4
71.04983	3.7
73.06558	1.3
79.05070	1.2
79.05499	18.2
81.03396	1.1
81.07058	100.0
82.07363	1.4
83.04989	6.1
83.08618	10.3
85.06544	5.3
91.05482	23.1
93.07042	13.0
95.04972	2.4
95.07701	1.0
95.08608	26.2
96.08944	1.2
96.99852	0.9
97.06525	6.3
97.10173	1.5
98.23360	1.0
99.04404	1.5
99.08094	3.9
100.11264	1.5
105.07029	34.2
106.07349	1.1
107.08596	12.4
109.06529	5.6
109.10123	1.2
113.05965	1.7
119.08580	24.4
119.09427	1.2
120.08875	1.3
121.10133	19.0
122.51247	1.1
123.08072	3.6
123.10798	1.8
123.11703	31.4
127.07551	3.4
133.10101	2.0
137.13220	3.3
141.09155	1.0
147.11684	76.8
148.12012	2.0
157.10101	2.2
165.12759	45.6
183.13803	4.3
229.14394	7.2
267.15991	8.4
268.22604	1.2
285.16965	33.2
285.21732	6.6
286.17258	1.0
286.23721	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98460	2.4
55.01893	2.2
55.05519	16.1
57.03438	19.3
65.03959	2.0
67.05506	33.2
69.07072	19.8
70.03107	3.9
70.03439	3.8
70.06618	3.2
71.04999	6.4
79.05508	19.3
81.07061	100.0
83.04994	7.8
83.08634	8.8
85.06551	9.0
85.07048	2.1
91.05492	27.5
93.07046	12.3
95.04958	3.9
95.08600	19.4
97.06513	11.7
99.08138	4.1
100.11257	2.9
101.06024	3.1
105.07034	38.1
107.08595	13.4
109.06523	6.1
109.10197	2.4
113.06003	3.4
117.07050	2.1
119.08597	28.0
121.10133	23.3
123.08109	3.4
123.11707	25.1
127.07575	3.9
131.08585	3.2
131.86855	2.2
133.10123	3.6
137.13264	3.1
144.50812	2.1
147.11684	76.3
157.10133	6.2
164.92213	3.0
165.12759	41.0
175.11221	8.6
193.12230	2.4
203.81635	2.2
222.89380	2.2
229.14316	14.2
272.60562	2.1
284.14850	2.2
285.16986	36.4
285.22253	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.21781	1.7
55.01875	12.9
55.05510	17.7
57.03440	21.4
57.07072	3.5
65.03947	2.1
67.05505	32.2
69.03430	1.9
69.07069	19.3
69.12962	12.0
71.04981	4.9
71.08636	2.2
79.05489	19.4
81.07056	100.0
83.04969	7.3
83.08612	8.4
85.06549	6.3
89.71661	1.3
90.25658	1.5
91.04965	2.5
91.05487	29.5
93.07068	12.5
95.04969	2.2
95.08599	27.2
97.06526	8.2
98.22658	3.6
99.08074	3.4
100.11268	2.3
101.06059	1.7
105.07037	36.3
107.08593	16.2
109.06515	5.4
111.08089	2.6
112.06109	1.5
117.71336	1.6
119.08582	27.6
121.10143	20.4
123.08080	3.0
123.11706	32.2
127.07561	5.5
131.32053	1.4
133.10194	1.8
137.13240	4.0
145.10127	2.0
147.11682	93.7
148.12057	2.9
165.12753	47.8
166.13005	1.5
183.13832	6.6
229.14357	8.9
267.15762	9.3
285.16949	36.9
285.21918	2.6
286.23767	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01863	4.5
55.05510	17.9
57.03437	17.3
57.07039	1.3
59.04992	2.2
59.45353	1.3
65.03930	2.4
67.05505	39.5
68.48344	1.7
69.01944	6.0
69.02370	7.9
69.03407	2.3
69.07064	23.1
70.06577	5.7
71.04997	6.9
72.08160	3.2
79.05497	24.3
81.03416	17.3
81.07054	100.0
82.07397	1.7
82.37489	1.3
83.04983	11.0
83.08181	2.5
83.08621	14.7
84.08111	2.6
84.81131	1.2
85.02895	6.1
85.06528	6.2
86.09695	2.9
91.05476	33.7
93.07046	15.6
95.04954	9.0
95.08607	27.4
97.06516	9.0
97.10166	2.4
99.04457	2.0
99.08092	4.4
100.11218	1.5
101.06009	1.4
105.07026	45.4
106.07358	1.5
107.04977	2.9
107.08592	15.7
109.06508	6.5
109.10142	5.7
111.08082	4.9
113.05972	2.0
116.07082	1.9
117.07035	4.1
118.22828	1.4
119.08577	32.1
121.06511	2.0
121.10136	20.1
121.92117	1.4
123.08057	5.9
123.11700	32.7
127.07536	2.7
129.06995	5.8
131.08597	7.4
133.10120	6.5
135.11725	1.6
137.13245	2.9
141.06934	2.4
141.09114	2.4
142.07747	2.0
143.08537	5.2
145.10100	4.5
147.11682	68.3
148.11992	2.3
149.09584	3.1
155.08539	3.7
157.10114	9.7
159.11664	5.1
161.13228	2.6
165.12747	34.0
169.10127	3.4
171.11708	2.0
173.09537	1.8
173.13277	2.7
175.11171	7.9
183.11626	2.9
183.13770	2.8
187.11070	1.5
193.06165	1.6
193.12218	9.3
197.13232	4.3
199.14827	3.0
211.13116	2.2
211.14841	3.8
227.17995	2.0
229.14336	4.6
239.17989	6.2
253.08641	1.9
257.11606	1.7
257.19254	1.7
267.11270	3.7
267.15829	3.0
267.21146	3.2
268.22662	7.9
285.07999	2.0
285.12070	8.9
285.16690	28.9
285.22156	8.5
286.17697	1.6
286.23749	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01878	2.7
55.05509	15.8
57.03438	19.3
57.07076	1.1
59.04993	1.0
65.03944	1.7
67.05504	35.8
69.03429	1.6
69.07067	18.9
69.62202	1.8
69.62606	1.2
70.06586	1.1
71.04990	6.4
72.08128	0.6
73.06556	1.1
76.04024	0.5
79.05492	20.9
79.13113	0.5
81.07055	100.0
82.07386	2.0
83.04979	7.2
83.08617	10.8
84.08165	0.6
85.02888	1.2
85.06547	7.0
91.05482	25.4
93.07045	14.8
95.04979	3.0
95.08606	21.7
95.09236	0.7
97.06528	7.9
97.10196	0.7
99.04486	0.7
99.08096	5.2
100.11201	0.6
101.06013	2.4
103.05508	0.7
105.07030	39.3
106.07349	0.8
107.05006	0.8
107.08598	14.0
109.06503	5.7
109.10158	2.2
111.08060	1.4
113.06004	2.4
115.07588	0.9
117.07014	1.1
118.47180	0.6
119.08577	27.8
120.08905	1.0
121.10142	21.4
121.11022	1.3
122.10536	0.7
123.08070	5.1
123.11707	32.1
124.12040	0.7
125.09572	0.7
127.07533	3.6
129.06966	3.4
131.08563	2.5
133.10130	3.6
135.09282	0.5
137.09579	1.4
137.13254	1.8
139.11191	0.7
141.09103	1.6
142.96307	0.6
145.10144	1.9
147.11681	74.8
148.12027	2.5
149.09610	1.3
149.13220	0.7
157.10127	4.5
159.11633	0.7
165.12756	38.2
166.13101	1.6
169.10115	0.7
175.11192	4.0
183.12383	0.7
183.13771	4.4
193.12344	2.9
201.20897	0.7
211.13141	0.8
229.12708	0.6
229.14409	6.1
253.08568	0.7
267.15891	3.7
276.18054	0.6
285.11981	2.0
285.16940	40.5
285.22101	3.6
286.17181	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92753	0.9
51.96259	0.8
53.03953	1.5
55.01867	2.0
55.05512	18.8
57.03439	21.7
57.07064	1.6
65.03935	2.0
67.05508	35.8
68.05865	1.1
69.06733	1.5
69.07067	20.4
69.47060	5.4
70.06560	1.3
71.04996	6.8
72.08136	2.4
73.06535	1.7
76.03983	2.6
79.05076	1.7
79.05491	24.3
81.03382	1.0
81.07057	100.0
82.07386	1.9
83.04982	7.9
83.08629	11.7
85.06538	8.0
87.04449	1.0
91.05481	31.2
93.07045	16.3
95.04935	4.5
95.08607	24.3
97.06538	7.9
97.10139	1.0
98.22688	1.9
99.04428	1.2
99.08087	7.2
101.05978	1.8
103.05476	1.1
105.07031	41.5
106.07291	1.2
107.08598	14.9
109.06505	6.6
109.10105	4.0
111.08048	2.6
113.06010	1.5
116.36828	0.9
117.07012	2.1
119.08580	33.2
119.09441	1.7
121.10138	22.8
123.08038	3.7
123.11707	33.3
125.09583	1.4
127.07513	4.5
129.06969	2.8
131.08575	2.1
133.10143	5.3
135.11674	1.5
137.09521	1.2
137.13216	2.5
143.08482	1.5
145.10066	3.5
147.11684	78.9
148.11974	2.0
149.09621	1.5
151.07469	1.2
152.14317	5.5
154.29723	1.0
157.10110	5.2
159.11647	1.9
161.13275	1.4
163.10992	1.3
165.12753	37.6
166.12999	1.1
166.23909	1.0
166.40405	0.9
171.90405	1.0
175.11247	5.2
183.13741	3.7
185.13222	1.3
193.12250	4.6
198.09056	1.2
211.13179	1.1
225.10156	3.0
229.14328	9.0
243.11179	1.8
267.15775	4.1
267.20874	1.2
285.12390	8.2
285.16870	41.8
285.22104	5.4
286.17178	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01871	8.3
55.05512	14.1
57.03440	21.8
57.07069	2.2
59.04980	1.2
65.03943	1.3
67.05504	37.4
69.07068	21.2
69.08483	6.3
71.04996	4.8
73.06555	1.1
74.39604	0.7
79.05494	22.5
81.03423	1.7
81.07056	100.0
82.07401	1.6
83.04978	8.3
83.08624	9.8
85.02935	1.2
85.06544	7.6
87.04427	1.1
91.05482	28.3
93.07049	16.2
95.04956	2.5
95.08607	28.8
97.06524	7.7
99.08112	3.9
101.05992	2.1
105.07030	35.7
106.72337	0.9
107.08591	11.8
109.06532	5.6
109.10162	1.6
111.08067	1.7
113.05978	1.6
115.07570	1.1
119.08586	27.0
121.09309	1.2
121.10146	19.4
123.08084	4.8
123.11713	31.6
124.12011	1.0
127.07547	3.5
127.54240	0.7
129.06999	2.0
131.08611	1.2
133.10117	2.1
137.09622	1.8
137.13261	3.6
141.09096	1.7
145.10077	1.3
147.11687	84.1
148.12103	2.0
157.10126	2.3
163.89243	0.9
164.92067	1.2
165.12752	50.1
166.13132	2.0
175.11258	1.2
183.13809	7.6
193.12305	1.1
202.92284	1.3
205.07164	1.1
229.14389	8.5
230.91498	0.9
267.15842	8.7
285.16974	36.9
286.17368	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05503	25.3
57.07086	9.3
57.33876	8.1
59.73677	6.3
67.05493	28.4
69.07071	76.2
70.81448	8.7
70.81807	11.2
71.05003	10.4
79.05487	19.7
80.85515	6.2
81.07064	62.7
83.04984	6.1
83.08606	9.4
91.05484	30.0
93.07047	35.2
95.04987	10.0
95.08618	54.5
97.06511	15.3
105.07040	77.3
107.08587	52.2
109.06523	22.5
109.10150	25.5
119.08575	96.7
120.94518	5.9
121.06490	16.5
121.10132	47.7
123.11715	44.1
126.12173	7.1
129.10818	6.2
131.08575	11.3
133.10126	59.5
135.08060	11.1
135.11720	22.4
137.09631	7.7
142.07732	10.1
143.08554	16.5
145.10130	37.2
146.07260	12.8
147.03334	7.4
147.11682	23.2
157.10149	15.5
159.11710	29.9
161.09641	100.0
161.13261	13.6
162.42746	6.7
169.10141	13.1
171.11584	6.9
173.13329	22.3
175.14853	86.9
177.16473	10.2
183.11661	9.4
185.13208	15.3
189.12904	7.5
189.16386	9.5
193.15877	10.6
197.13293	22.5
201.16589	7.0
211.14795	17.8
218.65208	7.7
225.16246	9.5
267.21170	27.7
285.22147	77.5
285.29926	12.4
285.33456	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	286.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16808	0.9
53.03948	1.2
54.57363	0.8
55.01876	1.4
55.05510	8.4
56.05036	6.9
58.99586	21.0
60.41864	1.0
61.01148	2.3
62.51565	0.9
64.09682	0.8
67.05498	5.1
68.05031	1.8
69.07058	1.8
70.06583	6.0
71.30437	1.4
72.08159	2.1
73.01153	0.9
74.00671	1.2
75.01424	1.2
76.04002	3.8
79.05493	3.2
80.05035	0.9
81.07063	8.0
82.06613	1.3
83.08607	1.6
84.04507	3.9
84.08141	2.3
85.01137	3.8
86.00652	14.9
86.09712	1.3
86.99067	1.2
87.02680	4.5
88.02216	2.6
89.04256	8.7
91.05485	2.6
92.05796	1.4
93.07041	4.1
94.06569	1.6
95.06087	7.9
95.08609	2.7
96.08132	2.2
97.01131	1.2
98.09691	13.4
100.43655	0.9
101.04226	9.0
102.05533	6.4
105.07040	3.4
107.08601	2.3
108.08162	1.1
110.09675	3.5
112.03968	4.6
113.01733	3.0
113.04233	7.5
114.03790	1.3
115.05766	1.4
116.01700	3.6
119.08598	1.3
122.09676	1.6
127.05817	2.2
128.10736	1.7
129.07350	26.7
130.05003	3.2
130.06828	4.8
130.08560	1.2
131.08536	1.3
133.10092	1.3
135.11841	1.2
137.05989	2.3
139.05714	1.0
140.66292	0.9
143.02750	2.1
143.08499	1.7
145.10097	1.4
153.01935	1.2
156.08434	34.5
156.10202	11.3
157.10143	1.1
162.02213	2.4
174.06232	1.0
183.09520	99.8
184.09753	2.6
189.03340	2.2
190.05820	1.2
212.18538	1.0
215.14075	1.1
216.06963	7.9
240.11125	3.9
242.19614	0.9
258.12103	3.3
259.11124	100.0
260.11447	3.7
268.10638	1.0
285.22174	1.4
286.11664	14.7
286.20126	1.9
286.23495	3.6
287.05511	4.2
287.12784	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2013
Annotation	(2E)-octenoylcarnitine
Peak:m/z	Relative Intensity
51.03738	0.2
52.63154	0.2
56.05032	0.9
58.06599	0.3
64.42429	0.2
68.05022	0.3
69.07069	1.5
70.06593	2.5
70.83390	0.2
71.04989	0.3
79.05496	0.7
81.07062	0.5
82.06576	1.8
84.08138	0.6
86.09694	0.4
92.86582	0.2
93.07042	1.1
95.07349	0.8
95.08640	0.2
97.06529	3.4
107.12510	0.2
108.08107	1.5
110.09679	17.9
111.09987	0.5
116.07068	0.6
122.35287	0.2
125.06044	0.3
127.08724	0.4
128.10713	100.0
129.11052	1.9
143.07089	0.2
155.08093	0.2
165.94460	0.2
222.99860	0.2
268.18997	0.6
286.20117	36.4
287.20438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2013
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
51.82634	0.2
55.01880	0.3
55.05513	1.0
56.05044	2.1
57.03442	0.7
58.06600	100.0
59.06938	1.1
67.05515	1.1
68.05037	0.3
69.03439	0.3
69.07059	2.6
69.56591	0.8
69.57011	0.4
70.06592	3.4
71.04996	0.3
72.08154	2.7
79.05493	1.4
81.03428	0.7
81.05815	0.2
81.07052	1.9
82.06565	1.2
83.08625	1.6
84.08162	0.7
85.02893	0.4
86.06070	0.5
86.09705	4.1
88.07623	0.4
91.05480	1.4
93.07043	1.5
95.04969	0.4
95.07351	0.9
95.08617	1.3
96.08144	0.2
97.02905	0.3
97.06528	2.0
98.09668	0.4
99.04453	0.7
105.07040	0.6
107.08601	0.7
108.08123	1.2
109.02908	0.3
109.06571	0.3
110.09678	10.2
111.08098	0.2
111.10124	0.2
114.09164	0.4
115.03934	0.5
117.07029	0.5
119.08566	1.1
121.06534	0.3
121.10170	0.4
124.11231	0.2
125.06009	0.5
126.12814	0.4
127.03900	1.1
128.10739	0.6
129.10229	0.2
133.10117	1.3
135.11717	0.6
143.07027	1.9
145.10188	0.4
159.11693	0.3
161.08154	0.4
163.11203	0.6
173.13298	0.6
191.14333	0.3
192.25441	0.3
201.12546	0.2
219.13799	0.4
240.16016	0.3
250.18092	0.6
268.16183	0.5
268.19064	5.6
268.22198	0.3
286.20123	48.7
287.05392	0.5
287.14044	0.3
287.20416	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	286.2014
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
55.05513	0.5
55.96444	0.2
56.05033	0.6
57.03442	0.6
57.05816	0.5
58.06592	1.0
65.40747	0.2
67.05515	0.4
68.69489	0.2
69.07069	0.3
69.99586	0.6
70.06593	2.0
71.07367	0.2
72.08156	100.0
73.08484	1.1
79.05502	0.6
81.07064	0.9
83.04990	0.8
84.08157	0.9
89.81438	0.2
91.05470	0.5
93.07056	0.8
95.04994	0.2
95.08614	0.9
96.08136	1.3
97.06534	0.5
100.07599	0.3
101.06013	0.5
105.07028	0.6
107.08580	0.3
108.08100	0.2
109.06564	0.2
109.08881	0.3
109.39108	0.1
110.09678	0.5
111.04460	0.8
111.08054	0.2
114.09167	2.3
117.07050	0.3
119.08571	1.0
121.06516	0.2
121.10172	0.4
122.09686	0.2
124.11237	2.3
128.10690	0.4
129.05473	0.4
131.08565	0.6
133.10146	0.2
147.08133	0.2
149.09677	0.2
159.11742	0.5
161.13229	0.3
177.12747	0.3
187.11250	0.2
205.12221	0.3
224.20311	0.2
268.19092	2.7
286.20123	59.3
287.05609	0.2
287.20456	3.2
302.43805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2013
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
55.05494	0.8
56.05038	0.5
58.06600	21.0
62.67624	0.3
66.76064	0.3
68.05015	0.6
69.07052	0.5
69.57389	1.1
70.06586	0.7
72.08144	0.3
75.11990	0.3
79.05486	3.5
81.05798	1.3
83.76830	0.3
88.07630	0.6
93.07065	0.3
94.06551	2.0
96.08130	34.9
97.06533	0.6
97.08447	0.5
114.09166	100.0
115.09523	2.1
118.08659	1.1
128.10695	1.2
137.33611	0.3
174.36263	0.3
268.19131	1.2
286.20123	52.2
287.05682	0.4
287.20392	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	286.2375
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
49.99990	0.2
51.24726	0.2
52.26110	0.2
55.01866	0.5
55.05511	5.3
56.05033	1.3
57.03418	0.7
57.07064	0.2
58.06600	3.8
65.03935	0.3
67.05502	6.7
69.07067	4.7
69.25180	0.3
70.06592	17.0
71.04968	1.0
71.30057	0.2
72.08136	0.5
73.98283	0.2
74.49112	0.2
79.05492	1.6
81.06598	0.5
81.07056	8.2
82.06555	0.7
83.08618	2.1
84.04499	0.5
84.08157	1.6
85.06528	0.6
86.09712	0.3
87.04449	0.3
91.05455	1.0
93.07040	2.0
95.08608	7.8
96.08169	0.3
97.06532	2.7
97.08918	0.3
97.10152	1.2
98.09685	1.9
105.07003	0.9
107.08566	1.4
109.10160	3.6
111.08043	0.3
119.08564	0.6
121.10127	0.9
123.08061	0.4
123.11671	1.0
123.90263	0.2
128.10706	2.6
131.08551	0.4
133.10098	0.7
135.11690	0.4
145.10071	0.3
147.11678	0.3
149.63724	0.2
159.11516	0.3
168.13803	1.1
182.15457	0.3
186.14873	0.3
195.13812	0.6
222.22208	0.3
241.04971	0.2
250.21658	14.1
251.21983	0.8
268.22702	51.3
269.21054	0.2
269.23096	2.4
286.23752	100.0
287.05472	1.5
287.18820	0.4
287.24094	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	286.2376
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
52.43020	0.1
53.03894	0.1
55.01862	0.2
55.05513	2.0
56.05039	1.6
57.03439	1.8
58.06600	3.7
67.05502	2.7
69.07069	2.2
70.06273	0.1
70.06590	1.6
70.66431	0.2
71.04955	0.5
71.07343	0.5
72.08154	2.0
76.89999	0.1
79.05486	0.8
81.07058	4.6
82.06551	0.2
83.04915	0.1
83.08624	1.5
84.08142	8.9
85.06522	0.5
88.07622	0.6
91.05466	0.3
93.07038	1.1
95.08603	4.4
96.08120	0.5
97.06496	0.4
97.10172	0.7
98.09684	1.1
99.08080	0.2
105.06985	0.4
107.08578	0.7
109.06475	0.2
109.10152	1.4
110.09635	0.3
111.08064	0.3
111.10461	0.2
112.10593	0.1
112.11249	1.2
112.83801	0.1
115.83664	0.1
119.08534	0.6
121.10121	0.5
123.08015	0.1
123.11689	0.3
125.09613	0.3
128.10846	0.1
131.08548	0.2
133.10088	0.2
135.11670	0.3
144.02193	0.2
145.10147	0.1
147.11662	1.0
153.01776	0.2
158.16026	0.1
166.14322	0.1
168.13821	0.2
182.15392	0.1
196.16919	0.5
201.16422	0.2
210.02560	0.1
214.17891	0.2
219.17114	0.2
237.18597	0.2
250.19191	0.3
250.21651	2.9
268.22699	30.6
269.23077	1.2
286.23752	100.0
287.05496	1.8
287.24100	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	286.2379
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.05511	1.6
56.05032	0.4
57.03437	3.3
58.06593	1.5
67.05511	2.4
69.07070	1.7
69.23464	2.5
70.06590	2.4
71.04991	0.7
72.08157	37.9
73.08478	0.6
79.05479	1.5
81.07054	4.6
83.04958	0.5
83.08611	1.0
84.08121	2.5
85.06535	0.8
85.08908	1.7
86.09699	1.0
91.05475	1.4
93.07037	1.6
95.08624	2.5
96.08132	0.9
96.57732	0.3
97.06550	0.7
97.10143	0.5
98.09699	1.7
100.11246	0.4
102.09171	1.6
105.07045	1.0
107.08590	0.8
109.10154	1.3
110.09657	0.6
111.04443	0.4
111.08086	0.6
112.19319	0.3
114.09141	0.5
119.08566	1.0
121.10117	1.1
123.08062	0.6
123.11713	0.4
124.11231	0.7
127.08653	0.4
128.10730	0.9
131.08553	0.6
133.10103	2.0
135.08119	0.4
149.41705	0.4
151.11165	0.4
155.01656	0.3
156.23683	0.3
160.40173	0.3
163.07545	1.0
164.08264	0.5
167.14336	0.6
197.06360	1.8
214.17998	1.0
223.16898	0.4
235.29503	0.3
268.19263	0.7
268.22665	5.0
286.20132	18.9
286.23706	100.0
287.05389	2.4
287.20395	1.1
287.24026	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	286.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05518	3.0
56.05045	1.9
57.03432	1.5
58.06604	4.5
67.05505	3.4
69.07074	3.0
69.21482	2.0
70.06599	4.3
71.04982	0.5
71.07380	0.6
72.08154	3.4
79.05495	1.1
80.91095	0.4
81.07063	5.9
82.07384	0.3
83.08616	1.4
84.08144	7.6
85.06557	0.5
88.07628	0.8
91.05485	0.8
93.07037	1.2
95.08054	0.4
95.08614	5.6
96.08878	0.3
96.32690	0.3
97.06509	0.5
97.10181	0.5
98.09707	1.7
105.07037	0.6
107.08578	1.0
109.10133	1.8
110.09634	0.5
111.08061	0.5
112.11219	1.2
121.10166	0.3
123.11667	0.4
128.10724	0.6
132.31767	0.3
133.10115	0.5
147.11702	0.7
157.35675	0.3
174.44603	0.4
196.17014	0.7
196.47778	0.4
214.18086	0.4
250.21707	4.7
268.22726	28.2
269.23102	1.0
271.70203	0.4
286.23767	100.0
287.05496	1.9
287.24121	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	286.3104
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05513	10.9
57.07075	7.5
58.06609	3.7
59.05008	0.5
69.07072	13.2
69.32875	1.2
69.33285	3.2
70.07353	0.5
71.08621	3.3
72.05124	0.6
83.08624	7.7
85.10162	2.0
97.10172	5.9
98.22651	1.3
111.11701	2.6
125.13267	0.7
175.94798	0.6
268.29993	100.0
269.30469	4.6
286.27887	1.4
286.31046	20.6
287.31326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
56.96564	100.0
60.05635	4.6
69.21914	0.7
70.06592	26.0
70.22585	1.8
70.22980	1.4
71.06924	1.6
71.95269	3.7
72.08150	18.7
72.08541	1.1
72.96054	3.3
84.08138	4.1
84.96037	3.8
86.09695	7.7
95.04955	1.3
96.16801	0.7
97.44894	0.6
97.96808	1.4
97.99184	1.0
98.97577	2.4
105.07059	0.7
110.07185	2.9
110.09733	0.7
112.07609	2.6
112.08741	2.1
113.07912	1.7
114.09155	0.9
116.07098	5.2
116.98589	1.7
124.03938	2.0
125.04313	1.3
128.10715	0.9
129.10236	1.5
130.08672	2.0
130.09721	1.3
136.99077	0.8
139.00638	7.3
140.07008	1.0
141.07411	0.9
155.00140	8.0
156.11382	1.6
157.01709	11.9
158.09262	1.6
164.98586	4.8
171.14995	1.6
172.10818	1.4
173.01221	11.1
175.02783	44.5
175.11890	6.9
176.03110	0.7
182.99646	35.6
187.10809	0.7
191.02318	3.3
193.03839	23.2
201.00699	63.5
202.01028	1.8
219.01762	41.1
220.02251	0.7
224.02357	1.0
226.98680	1.0
237.02779	1.9
244.99704	10.5
263.00684	4.5
263.09219	0.7
269.67432	0.6
270.16959	0.7
271.17731	1.7
287.05948	1.5
287.11014	23.0
288.17511	1.4
288.20233	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
53.03938	0.4
55.01852	0.5
55.05514	3.4
56.05038	3.0
56.05843	0.2
57.03192	0.2
57.03440	2.0
57.05375	0.2
57.05812	0.2
57.07056	0.2
58.06602	5.6
58.39110	0.2
59.06925	0.3
65.03941	0.4
67.01856	0.4
67.05505	4.0
68.05813	0.3
68.99790	2.4
69.03409	0.5
69.07069	3.2
70.06593	2.7
71.01324	0.2
71.04973	0.5
71.06980	0.2
71.07353	1.0
72.08158	3.3
79.05490	2.1
80.05811	0.3
81.03397	0.3
81.07060	6.3
82.06560	0.3
82.07375	0.6
83.04945	0.2
83.08627	1.6
83.10225	0.2
84.08144	13.9
84.08928	0.4
84.67445	0.2
85.06541	1.0
85.08464	1.0
86.09691	0.3
88.07632	0.8
91.05476	0.9
93.07049	1.6
94.07355	0.3
95.04968	0.4
95.08608	6.6
96.08106	0.7
96.08944	0.8
97.06518	0.4
97.08934	0.2
97.10170	0.8
98.09708	1.1
99.08070	0.2
101.21552	0.2
103.05476	0.2
105.03419	1.0
105.07029	0.6
107.04959	1.3
107.08576	0.6
108.08934	0.2
109.02860	0.6
109.06532	0.3
109.10152	1.8
110.09674	0.6
110.10385	0.2
111.00801	1.5
111.04461	0.4
111.08063	0.4
111.10474	0.2
112.11241	1.4
113.11632	0.2
117.06991	0.2
119.04893	0.2
119.08588	0.8
121.02870	6.9
121.03821	0.4
121.10127	0.8
123.07996	0.3
123.11675	0.3
127.03879	0.2
128.10727	0.2
129.06966	0.3
131.08559	0.5
133.02852	0.9
133.10144	0.3
135.04388	0.2
135.11684	0.7
137.02333	2.3
141.06976	0.4
145.06465	0.5
145.10110	0.4
147.04425	1.8
147.11674	0.8
153.01828	12.0
157.06494	1.3
161.05939	0.4
161.13304	0.3
165.01849	3.5
166.02263	0.2
167.04912	0.2
169.08855	0.2
171.04370	0.8
175.03915	0.2
183.02928	1.8
185.05954	1.3
189.05482	0.4
196.16928	0.4
197.06010	0.3
203.06982	0.2
209.91524	0.2
213.05461	3.4
214.18013	0.3
216.04182	0.3
221.04834	0.2
229.04890	0.5
231.06493	1.1
241.04933	1.8
243.06531	0.2
250.21637	2.9
251.22034	1.4
258.05292	2.2
259.06012	0.7
263.05585	0.2
268.22714	29.0
269.04404	0.4
269.23053	13.3
283.43176	0.2
286.23764	94.0
287.05490	100.0
287.24084	42.3
288.05823	4.2
288.24423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89501	0.3
55.01894	0.4
55.05501	1.3
56.05034	0.7
56.58287	0.4
56.96568	17.4
58.06599	0.6
60.05649	4.8
60.08155	0.7
67.05510	0.5
69.07062	1.2
70.06596	22.1
71.04988	0.9
71.06927	0.9
71.28751	0.6
71.95263	0.8
72.07757	0.8
72.08157	15.3
72.96045	0.9
73.08472	0.4
81.03423	0.8
84.04506	0.6
84.08152	4.5
84.96054	0.6
85.06480	0.4
85.07659	0.5
86.09711	12.9
87.05608	0.8
88.03996	0.6
89.81393	0.5
95.04971	3.0
97.96800	0.4
98.06060	0.6
98.97588	0.9
99.09220	0.4
109.02821	0.4
110.07146	1.8
111.04476	0.5
112.07611	0.7
112.08723	2.4
114.09191	0.9
115.08694	1.1
116.07108	3.7
116.98650	0.4
120.08105	1.6
124.03970	0.9
125.05846	0.4
126.05533	0.5
128.10733	0.8
129.10245	1.1
130.08641	1.7
130.09756	1.5
130.93300	0.4
139.00694	0.9
141.10193	1.0
143.11803	1.0
144.10190	0.4
155.00162	1.2
156.07663	0.7
156.11313	1.3
157.01738	2.1
157.09709	0.8
158.09268	2.1
163.03990	0.4
164.98578	0.7
169.09741	0.7
172.10832	0.6
172.94388	0.4
173.01309	2.0
175.02785	8.0
175.11928	9.5
182.99661	5.7
185.16562	0.6
186.12387	1.1
189.16060	0.7
193.03868	3.5
201.00713	10.5
204.03450	0.5
213.03882	0.6
219.01756	7.2
222.04448	1.3
228.17207	0.5
234.66209	0.6
235.10426	0.4
237.02831	0.5
244.99663	1.7
253.16699	0.6
263.00763	0.9
263.09225	0.5
270.16895	2.2
271.17691	1.7
272.93015	0.4
287.11008	100.0
287.19910	1.8
288.11459	3.6
288.20309	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.74218	0.4
55.01864	0.5
55.05511	1.7
56.05043	2.3
57.03437	0.8
58.06599	5.8
60.04537	0.5
60.05649	13.5
67.05517	2.4
68.05020	0.9
69.07061	2.5
70.06593	44.2
71.04996	1.6
71.28677	0.6
72.08156	100.0
73.08498	1.1
75.98477	0.5
79.05502	1.9
81.07069	4.0
82.06591	0.8
84.04486	0.5
84.08147	6.3
85.02896	1.1
86.09707	28.3
87.10013	0.5
88.07637	1.1
91.05489	1.6
93.07068	1.3
94.06564	0.6
95.04963	1.2
95.08631	2.0
96.08134	2.0
97.06544	1.0
97.07670	0.9
98.06059	1.1
98.09669	0.6
99.04441	0.8
100.07611	0.6
105.07037	1.0
107.08592	1.2
108.08110	1.2
109.65428	0.5
110.07162	0.7
110.09702	2.1
111.08087	0.8
112.07620	0.9
112.07978	0.5
112.08738	5.2
112.11258	2.3
113.02373	1.2
113.07148	1.6
114.09153	3.2
114.10314	0.8
115.08723	2.7
115.09417	0.6
116.07098	8.2
119.08579	1.2
121.10183	1.1
122.09734	0.5
124.08739	0.5
124.11252	2.2
128.10719	10.0
128.82463	0.5
129.10245	0.8
129.51404	0.5
130.08647	3.9
130.09769	3.0
133.09760	0.5
137.09590	0.7
137.10571	0.5
139.07671	0.5
145.10138	0.6
156.11275	3.8
157.10851	1.4
158.09247	6.2
158.10489	0.5
161.07411	0.5
161.13254	0.4
167.94072	0.4
172.10832	0.5
175.11919	25.6
182.15440	2.0
183.14795	0.5
185.10251	0.7
194.61459	0.5
200.16460	3.8
208.20673	1.4
208.98090	0.5
210.18498	6.8
211.14319	0.5
226.18073	0.9
226.21797	0.9
228.17415	0.8
228.19444	2.8
229.15570	2.1
252.19547	2.8
253.16664	1.3
270.17017	2.6
270.20660	9.8
271.17630	6.9
271.20438	0.6
288.18021	48.7
288.21371	59.6
289.18402	1.3
289.21552	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	288.1918
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
50.64208	0.5
50.68037	0.5
53.03935	0.6
55.05275	0.8
55.05513	11.3
56.05013	1.0
56.97887	0.5
57.03441	1.2
57.05804	1.3
58.06596	3.3
60.05629	2.0
61.30320	0.6
67.05499	1.7
69.07064	0.9
69.26208	3.2
70.06590	9.8
71.04996	0.7
72.08153	100.0
72.56322	0.5
73.08471	0.9
77.86576	0.5
79.05489	1.8
81.07056	5.9
83.04986	1.3
84.08118	2.8
85.08925	1.0
86.09704	57.9
87.10041	1.3
91.05463	1.0
93.07043	1.6
95.08599	3.3
96.08158	0.9
101.06046	1.7
104.07107	0.7
105.07053	1.2
107.08586	1.1
107.95776	0.5
108.88919	0.5
110.09752	0.7
111.04485	1.5
112.08714	1.2
116.07113	1.5
118.08643	2.7
119.08603	1.5
125.02374	0.9
125.13995	0.5
129.10233	17.5
132.10207	12.3
132.11142	1.0
133.10231	0.6
143.11784	25.4
156.11369	0.7
157.09721	10.2
157.10851	0.7
157.13379	5.3
161.13309	2.3
171.11287	5.4
175.11888	4.2
185.12892	1.4
189.12331	12.0
207.14001	0.7
208.20415	0.5
224.09370	0.6
252.19772	2.3
270.20636	16.7
271.17798	1.1
271.21146	1.3
288.21854	38.2
289.22131	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	288.1993
Annotation	CAY10444
Peak:m/z	Relative Intensity
55.01863	4.9
55.05516	33.3
56.06617	1.3
57.07082	13.4
57.98793	3.2
58.99589	40.2
60.21775	1.4
61.01144	4.9
62.00648	2.2
67.05503	25.1
69.07069	36.1
69.58430	6.1
70.06591	6.0
71.08641	6.6
72.08167	1.9
73.01137	2.2
73.87572	1.4
74.00669	2.2
76.02230	18.7
79.05507	1.5
81.07058	28.9
83.08621	24.5
85.01102	1.9
85.10181	2.9
86.99059	19.3
87.02169	2.2
87.02693	35.4
88.02214	8.6
88.03977	4.6
88.07624	5.7
90.03806	3.4
91.05492	3.1
93.07034	4.6
95.08615	31.1
97.10172	11.2
99.02689	4.1
101.04245	12.0
105.00092	8.2
106.08667	15.4
107.08589	1.5
109.10160	17.0
111.08021	1.6
111.11719	2.8
115.05772	1.7
116.05315	9.9
120.01157	1.8
123.11684	4.1
125.56996	1.6
165.16402	1.5
184.20613	56.4
185.20995	2.0
199.15147	6.4
208.20535	1.6
224.01022	1.5
225.16719	3.3
226.21657	35.9
227.02193	1.4
242.19408	26.2
252.83649	1.4
271.17282	48.1
276.93076	1.4
283.28372	1.3
288.19916	100.0
288.28955	21.1
288.31799	4.5
289.20157	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	288.2031
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
51.66198	0.4
55.05504	0.6
56.05058	0.4
56.96568	3.8
60.04527	0.4
60.05650	25.6
61.64318	0.4
63.23172	0.4
69.07085	1.6
69.84536	0.4
70.06593	99.2
70.60995	1.0
71.04988	1.9
71.06924	1.1
72.08154	9.9
73.02907	0.7
74.01464	0.5
82.99827	0.5
84.08163	2.6
86.09708	44.4
87.10056	1.0
88.07610	0.7
95.06084	0.8
97.07674	2.6
97.99254	0.4
98.06042	2.3
98.97595	2.9
101.00887	5.6
103.02454	0.5
112.08734	11.8
112.09464	0.8
113.00895	0.7
113.07143	0.6
114.10292	1.4
115.02450	2.3
115.08699	4.8
116.07093	16.0
116.98637	1.4
119.01932	8.5
124.95502	0.8
126.05538	1.2
128.11880	0.5
129.04070	0.6
129.10274	1.4
130.08746	0.9
130.09741	5.7
131.01935	2.0
132.10274	0.6
133.03452	3.3
133.04999	0.9
133.09712	1.1
136.04684	0.5
137.02989	1.2
140.08173	1.3
142.09784	0.7
143.01932	1.6
143.08139	0.5
143.31612	0.5
145.03557	0.7
147.04959	0.6
149.02998	0.5
156.11314	6.5
157.10846	2.9
158.09262	10.5
158.10515	0.9
161.02963	4.1
166.12317	0.8
168.99748	0.6
171.01376	0.7
172.10751	1.2
173.02957	1.7
175.11913	50.8
176.12221	0.9
178.04932	0.8
182.16580	0.8
183.14896	0.7
185.10382	1.2
187.00912	1.8
189.02483	1.5
191.04015	1.3
193.00165	0.9
195.39265	0.5
199.00896	0.9
205.01947	1.1
206.07080	1.0
208.14441	1.0
210.16034	0.5
211.14449	0.6
212.12793	0.7
215.00397	1.9
217.01982	1.9
219.03510	0.8
224.08037	1.7
225.17165	1.1
228.17038	3.0
229.01874	0.8
229.15482	4.7
235.05290	0.5
247.02972	2.1
248.08092	0.9
253.16565	2.7
254.15007	0.9
270.19250	1.6
271.17648	11.5
272.17957	0.7
272.64841	0.7
288.20297	100.0
289.20648	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	288.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.65966	0.8
54.39307	1.0
55.05516	3.8
56.05038	9.2
57.03430	2.1
58.06602	25.9
59.03601	1.1
60.05658	2.0
62.01862	1.0
67.05511	8.0
69.07064	22.5
69.26044	6.3
69.74728	1.1
70.06599	8.8
71.05003	1.2
72.08157	4.6
73.06560	3.4
79.05488	12.3
81.07056	32.9
82.71617	0.9
83.04971	1.3
84.08160	2.8
85.06529	1.1
86.09704	5.6
91.05459	5.2
93.07037	9.8
95.08600	15.6
95.09159	1.2
96.08150	1.0
97.06519	7.4
97.10202	1.1
99.08118	1.3
105.07054	4.4
107.08604	5.0
109.06508	1.3
109.10159	1.7
110.09696	3.3
112.08704	1.1
115.07561	1.1
117.06997	1.0
119.08624	4.1
120.08973	1.0
121.10158	4.2
123.08089	1.6
125.05969	5.8
127.03943	1.3
130.06430	1.0
133.10181	4.6
137.09662	1.0
143.07024	12.1
143.08141	1.1
143.08540	1.0
145.10225	1.2
146.11845	1.4
147.11682	1.9
159.11758	1.3
161.08202	1.5
161.13310	1.5
175.11934	4.1
175.14822	5.7
185.13356	3.7
203.14326	9.5
207.87396	0.9
208.20651	2.8
221.15401	7.1
225.27748	0.9
234.18694	1.1
239.16554	2.3
252.19572	9.8
270.20633	80.1
271.21054	5.4
288.21753	100.0
289.22107	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	288.217
Annotation	L-Octanoylcarnitine
Peak:m/z	Relative Intensity
55.05505	1.2
56.05040	1.6
57.03434	1.1
58.02941	0.4
58.06604	3.2
58.49420	0.2
64.06267	0.3
67.05510	3.0
69.07054	0.9
69.70729	1.2
70.06592	2.5
71.05004	0.5
71.48412	0.3
72.08154	1.5
79.05502	2.4
81.07057	6.8
82.06573	1.3
83.04982	0.8
83.08613	0.3
84.08141	5.1
85.06519	0.4
88.07614	0.8
91.05491	0.8
93.07061	2.4
95.08609	1.3
96.08155	1.4
97.06528	1.7
105.03104	0.3
105.07012	0.3
107.08588	1.1
107.46815	0.2
108.08112	1.2
109.06507	0.3
110.08894	0.4
110.09679	6.9
111.10506	0.5
112.11237	7.6
114.09177	0.6
119.08581	0.6
121.10143	1.4
123.08067	0.3
124.11253	0.3
126.12826	0.4
127.07541	0.5
128.10719	24.7
129.11044	0.6
130.08740	0.3
135.11707	0.5
143.52975	0.3
145.10159	0.3
196.23187	0.3
208.20544	0.5
210.18530	1.9
224.16287	0.3
228.19571	0.5
234.18620	0.4
251.30775	0.3
252.19572	5.4
270.20630	13.2
271.21051	0.4
288.21686	100.0
289.21994	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	288.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.05513	4.1
56.05020	0.4
57.03439	3.2
58.06601	7.2
58.07195	0.4
59.04981	0.6
60.15656	0.3
65.88829	0.3
67.05506	4.5
67.47858	0.3
69.07024	1.4
69.74706	0.4
69.88832	1.7
70.06602	2.7
71.04960	0.5
71.07346	0.8
72.08154	20.9
73.08468	0.4
75.72833	0.4
79.05083	0.6
79.05492	8.4
81.07056	18.8
83.04570	0.4
83.04977	5.1
84.08137	5.4
85.06524	1.1
85.08521	0.4
85.08918	3.5
86.09688	1.8
91.05476	2.9
93.07040	5.0
95.04967	0.8
95.08603	7.6
96.08125	2.0
97.06519	0.6
98.09672	1.2
99.08046	0.4
101.06023	4.0
105.07025	3.7
107.08595	4.2
108.08126	0.5
109.06485	0.5
111.03809	0.4
111.04443	4.8
114.09176	0.6
115.22305	0.4
119.07928	0.4
119.08587	4.5
121.10149	2.1
122.09638	0.5
123.08032	1.3
124.11172	1.2
127.07510	1.4
129.05504	1.8
129.06970	0.6
129.10228	0.9
131.08521	0.7
133.06400	0.6
133.10123	2.4
135.07947	0.7
143.08476	0.5
145.10097	1.0
147.11646	0.8
151.11186	0.9
161.13255	8.8
162.13615	0.6
171.11807	0.8
189.12740	2.7
207.13805	2.0
225.14865	1.4
234.18565	0.6
252.19620	4.2
264.93829	0.4
270.20630	56.7
271.20963	2.4
288.21683	100.0
289.22034	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	288.2169
Annotation	(plusmn)-Octanoylcarnitine
Peak:m/z	Relative Intensity
55.05512	0.4
55.19434	0.2
56.05036	1.3
56.05499	0.2
57.03443	1.0
57.05817	0.2
57.07064	0.2
57.47849	0.2
58.06602	21.8
59.04994	0.4
59.06937	0.3
65.03951	0.2
67.05502	1.8
67.60847	0.2
69.07062	0.8
70.06592	1.8
70.55756	0.2
70.56081	0.3
71.05001	0.4
72.08156	4.2
79.05494	1.1
81.07050	2.0
82.06584	0.2
82.44441	0.2
83.04983	0.3
83.08618	0.4
84.08135	0.8
85.06543	0.3
86.06062	0.2
88.07616	0.7
91.05473	0.6
93.07041	1.6
95.08611	1.3
96.08133	0.6
97.06519	0.3
100.07613	0.5
105.07034	0.4
107.08601	0.9
108.08148	0.5
109.06519	0.3
109.10156	0.6
110.09688	0.6
119.08578	0.7
121.10141	0.6
123.08072	0.2
124.11216	0.3
133.10089	0.4
135.11708	0.7
137.09628	0.3
145.10095	0.3
149.13295	0.2
151.11311	0.2
161.13248	0.2
168.13853	0.7
184.13292	0.2
186.14934	1.1
226.18016	2.1
226.52983	0.2
234.18547	0.2
237.65765	0.2
249.52878	0.2
252.19601	7.4
270.20648	6.8
271.20776	0.3
288.21686	100.0
289.22021	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
56.96551	1.3
58.99860	0.9
60.05650	11.7
60.08141	0.6
68.98280	0.9
69.07059	1.1
69.69466	2.9
70.06591	33.1
70.99857	1.7
71.04981	0.6
71.06933	1.8
72.08149	7.5
73.02901	1.3
77.00909	1.2
82.99809	4.1
84.08144	10.1
85.02886	0.9
86.09219	1.3
86.09710	19.8
86.99317	0.8
87.10033	1.6
89.00902	1.5
94.93018	0.8
95.04977	0.9
96.92742	0.7
97.01379	2.1
98.23281	0.8
98.97558	0.7
101.00878	43.6
102.00976	1.8
102.09177	0.8
105.00362	0.8
107.02861	0.7
110.07128	1.5
112.08743	3.2
113.00828	3.3
115.01633	0.9
115.02431	15.9
115.08676	4.1
116.07102	6.5
117.04009	1.7
118.03446	0.6
119.01917	100.0
120.01991	3.6
121.01587	0.8
126.41528	0.7
126.98811	1.0
127.03903	1.3
129.03984	4.7
129.10229	6.5
130.08659	1.8
130.09755	3.5
130.10634	0.7
131.01913	10.1
132.08000	0.7
133.03462	30.0
133.04984	1.1
134.03629	1.2
135.05020	2.2
137.02946	22.0
138.02965	0.8
142.03523	1.8
143.01888	17.8
144.01965	0.7
144.99811	2.1
145.03459	3.3
147.01407	2.3
147.05034	6.2
147.11279	2.2
149.02957	1.6
151.04539	6.0
155.01888	1.3
156.11324	2.1
156.99837	0.8
157.03459	2.5
157.10818	0.9
158.09241	5.0
159.01402	2.0
161.02951	59.5
162.03123	2.3
168.99832	7.7
171.01376	8.5
173.02971	9.7
175.00897	2.3
175.04512	1.8
175.11906	19.4
176.12242	2.1
177.02383	1.0
179.04031	2.4
183.05127	0.7
184.04576	1.3
185.02930	1.5
187.00888	22.2
189.02451	18.1
190.02663	1.5
191.03993	11.9
196.99352	4.3
199.00865	9.0
201.02467	3.0
203.00471	1.3
203.04037	2.3
205.01923	8.7
205.10239	0.7
206.02191	0.9
207.03477	5.6
209.05135	0.9
215.00372	24.7
216.00510	1.3
217.01942	20.0
218.02065	1.0
219.03514	6.3
229.01883	6.9
229.15355	1.0
231.03473	3.0
233.01372	2.5
235.02982	1.4
247.03017	22.1
248.03123	1.1
253.16531	0.8
259.03033	1.2
265.04071	6.8
270.04660	1.0
271.17581	3.0
272.13568	2.4
272.18179	1.4
275.02386	0.7
277.03922	1.2
288.20209	25.1
289.04077	5.7
289.16153	4.1
289.20801	9.3
290.03970	0.7
290.19672	1.7
307.05170	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	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03948	10.1
53.92047	0.8
55.05511	1.3
56.05027	2.3
57.03436	3.5
58.06597	6.0
60.05634	1.2
61.02931	2.4
64.48738	0.9
65.92743	0.9
67.05486	2.7
69.03430	32.0
69.07065	4.8
70.06605	9.2
70.07411	1.1
70.76395	0.9
70.76740	2.0
71.01349	1.1
71.05000	8.6
71.06903	2.0
72.08153	3.5
73.02921	4.8
79.05488	3.2
81.03417	36.8
81.07057	6.3
81.88664	1.1
83.04988	1.4
84.08136	6.4
85.02904	56.3
86.03254	1.5
86.09715	10.9
87.04470	1.3
91.05457	2.6
93.07038	2.6
95.08611	3.8
97.02280	1.9
97.02892	33.0
97.06528	1.2
99.04455	69.4
101.02382	1.0
103.03944	31.1
105.07010	1.8
107.08533	1.2
109.02876	33.9
109.06503	1.0
111.04439	1.0
119.08609	1.7
120.08096	3.0
121.06499	1.4
121.10137	1.2
125.97816	0.9
127.03914	100.0
128.04257	2.9
128.10718	2.9
129.10229	4.9
133.10187	1.3
136.71138	1.2
143.06958	1.7
145.04964	12.5
147.11559	1.1
153.01793	1.5
163.03831	1.5
169.04994	1.8
171.88300	0.9
172.10822	1.2
175.11890	1.1
176.12206	1.5
187.06021	15.0
204.14667	1.8
221.15401	0.9
229.13147	1.4
252.19540	1.2
253.09470	0.9
253.19954	3.6
257.98975	1.2
270.20609	7.6
270.68454	1.1
271.08035	2.8
271.10785	4.0
271.20996	12.5
272.17691	1.0
288.21875	10.2
289.22278	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03950	11.9
55.01869	3.0
55.05500	1.3
57.03449	4.4
60.05645	1.8
61.02918	2.1
62.61466	1.2
62.65912	1.5
67.05502	2.6
69.03431	36.2
70.06577	7.0
71.04982	10.8
71.29562	2.0
72.08139	2.0
73.02921	3.6
75.87126	1.2
79.05492	3.1
79.65302	1.2
81.03419	38.1
81.07067	4.0
84.08170	1.5
85.02908	56.0
86.09730	2.6
91.05506	5.3
91.52010	1.4
93.07063	4.9
95.04941	1.3
95.08618	2.8
97.02894	27.1
97.06507	2.6
99.04458	71.1
99.62360	1.3
101.02347	1.7
103.03937	23.2
105.07036	3.2
107.08621	2.5
109.02882	33.5
109.06522	3.2
110.03213	1.7
111.08096	1.6
120.08149	1.7
121.06528	5.4
123.04430	1.4
127.03917	100.0
128.04213	1.9
133.10153	5.2
143.08621	1.5
144.11359	1.3
145.04961	18.1
147.08095	1.9
147.11742	2.3
153.01874	5.1
161.09642	1.6
163.03943	3.3
187.06032	16.9
193.12268	2.2
199.11227	1.7
217.12309	4.2
235.13203	1.7
253.14380	1.7
271.08154	3.1
288.20230	2.0
289.06891	2.8
289.15558	1.3
289.20792	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	289.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.1
55.01868	2.6
55.05497	1.2
57.03439	2.3
58.06581	1.4
59.13448	1.1
60.05649	2.2
61.02930	3.0
67.05502	3.1
69.03427	32.5
69.07074	3.9
69.54912	5.8
70.06581	10.4
71.04999	9.5
71.06908	3.6
72.08149	4.8
73.02909	3.4
79.05492	3.6
81.03416	38.3
81.07046	5.2
83.01378	1.4
84.08131	4.3
85.02907	60.5
85.06533	1.4
86.09700	7.5
87.04494	1.5
87.10019	2.0
91.05477	3.3
93.07054	2.1
95.04951	1.4
95.08587	2.0
95.60207	1.1
96.87144	1.1
97.02280	2.2
97.02889	35.6
98.22761	2.0
99.04455	67.0
103.03946	31.2
103.04628	1.7
105.07040	2.0
107.04951	1.6
107.08598	1.9
108.08121	1.4
109.02873	33.2
109.06499	2.3
109.10149	2.2
116.07117	2.0
119.04914	1.4
119.08567	1.9
120.08113	2.8
123.04394	1.4
127.03918	100.0
128.04280	1.6
129.10228	1.4
133.10121	2.0
136.07570	2.0
145.04936	12.3
152.07007	1.4
153.01712	1.5
163.03935	2.5
166.08665	1.7
169.04996	1.9
175.11876	2.8
176.12212	2.5
183.08075	1.5
187.06027	14.5
211.07620	1.3
211.13367	1.6
212.10797	1.5
229.13385	4.5
271.08127	2.3
271.14383	1.3
271.21021	6.0
280.99557	1.3
288.20764	1.4
289.11551	1.5
289.15359	5.9
289.20828	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
51.50490	0.6
51.74831	0.6
53.03951	1.0
55.01874	0.9
55.05508	3.1
57.03425	0.9
57.07077	0.8
60.05642	0.7
67.05505	3.2
69.03439	3.8
69.07049	3.3
69.93300	0.7
70.06597	3.1
71.05000	1.8
71.06923	1.1
72.08158	1.0
79.05480	4.1
81.03437	3.5
81.07056	7.6
83.04987	1.2
83.08624	1.2
83.19477	0.6
84.08167	0.8
85.02916	6.0
86.09705	1.1
91.05485	7.6
91.77956	0.6
93.07046	5.9
94.06570	1.1
95.04958	1.8
95.08603	5.5
96.08119	1.7
97.02895	2.0
97.06509	0.9
97.10129	0.8
99.04468	5.8
102.21819	0.6
105.07018	4.2
106.05001	0.7
106.06557	2.2
107.04976	1.0
107.08611	3.6
108.08125	1.3
109.02895	1.8
109.06512	1.3
109.10159	2.4
111.04471	0.8
116.05010	1.1
117.05756	1.5
117.07018	1.6
118.06554	6.7
119.08570	3.2
120.07243	0.9
120.08105	14.2
121.02825	1.0
121.06520	1.0
121.10153	2.4
122.06036	0.7
122.09658	1.2
123.08063	1.3
124.07574	12.4
127.03913	10.7
129.06996	1.0
131.08577	2.3
133.10155	2.1
134.06032	6.5
135.08061	1.8
135.11707	1.2
136.07600	6.3
137.51006	0.6
138.05519	2.9
143.08514	0.8
145.04956	0.7
145.10129	1.6
146.05981	5.1
147.06770	2.4
147.07948	1.0
147.11687	1.4
148.07568	11.4
149.09627	0.7
149.13254	1.1
150.09149	0.9
151.07526	0.7
152.07095	1.5
155.08563	0.8
157.10143	1.2
159.08029	1.9
159.09219	0.9
159.11702	1.6
161.09665	1.6
161.13280	1.0
163.11119	0.7
164.07069	100.0
165.07523	2.6
166.08644	3.5
169.10202	0.8
171.11746	1.2
180.06361	0.6
183.11670	0.7
187.06029	0.9
193.08670	0.6
200.10927	0.7
215.15508	1.0
216.10252	2.5
229.13539	0.7
229.15901	0.8
236.74571	0.7
243.15041	4.7
245.16531	1.9
247.16953	0.8
253.13422	1.0
253.15785	1.3
254.11600	0.9
271.14417	21.1
271.16965	2.1
271.20685	0.7
272.14819	1.3
289.15448	68.5
289.17822	4.3
289.20880	2.3
289.25223	2.4
290.15912	3.7
295.15512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16216	8.6
67.05514	14.1
69.03437	10.2
69.07084	21.3
69.15289	24.8
69.15709	38.1
70.06584	11.5
71.04964	11.2
79.05496	25.3
81.03403	21.8
81.07076	52.9
83.04986	20.8
91.05478	16.9
93.07045	57.3
95.04980	25.0
95.08624	43.5
97.02981	9.3
97.06547	29.2
99.04459	22.6
105.07049	32.7
107.08585	24.8
109.02900	25.4
109.06529	29.9
109.10160	10.4
111.08090	29.5
117.26549	8.3
119.08606	25.6
121.06516	79.9
121.10143	11.4
122.81692	8.3
123.08051	10.4
125.06002	10.5
127.03926	44.9
127.07519	12.0
133.10117	19.9
135.08051	12.2
139.07526	28.3
143.07066	10.4
147.11702	45.9
157.08656	11.5
157.10117	9.6
159.06564	13.9
161.13243	18.2
165.12750	15.9
169.12241	20.4
171.11751	16.4
175.11223	38.3
189.12784	22.4
190.63583	8.9
193.12262	31.0
199.11215	21.8
207.13884	16.1
211.13292	34.1
217.12244	100.0
234.06253	9.2
235.13245	72.8
241.36954	8.7
253.14377	38.8
289.06161	51.8
289.21954	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01869	8.0
55.05511	13.2
63.44256	5.7
67.05491	18.6
69.07066	23.5
69.42268	16.5
69.42677	14.9
70.06576	11.3
71.05000	13.6
79.05493	22.6
81.03415	10.6
81.07052	49.1
83.04969	13.4
83.08631	6.1
85.06519	10.6
91.05520	12.9
93.07047	73.8
95.04973	16.8
95.08607	30.6
97.02872	6.2
97.06538	39.3
99.04468	26.2
105.07031	40.6
106.16577	5.2
107.08591	31.9
109.02893	13.6
109.06525	36.4
109.10138	6.5
111.08080	23.5
113.06025	9.4
119.08606	26.0
121.06510	89.3
121.10123	9.9
123.11699	11.1
125.06013	14.6
127.03900	21.5
127.07529	17.0
131.08537	5.6
133.06464	5.8
133.10127	17.2
135.08038	9.5
137.05933	10.3
139.07556	32.9
143.06999	7.5
143.08578	9.4
147.08078	7.9
147.11676	63.6
149.09659	5.8
151.11214	12.8
155.90230	5.7
157.08574	10.0
157.10136	12.8
159.06497	12.1
161.13242	10.7
165.12717	15.2
169.12247	27.2
171.11671	16.4
175.11118	27.6
179.00333	5.6
189.12762	25.7
193.12199	39.2
199.11198	23.2
204.59718	5.7
207.13776	20.9
210.14334	5.3
211.13315	50.6
217.12247	100.0
229.14333	16.6
235.13283	99.7
253.14366	49.3
289.21884	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	289.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.07076	100.0
58.07407	1.4
58.36937	1.0
59.99126	0.9
64.84751	0.8
67.05497	1.7
69.07040	1.2
71.04966	1.2
71.30090	1.6
72.04517	21.0
79.05479	2.9
81.07050	3.6
84.08170	1.0
87.28705	1.1
88.02168	1.0
91.05507	4.7
93.07051	2.4
95.08601	4.1
99.04450	2.7
100.07620	53.4
105.07049	3.2
107.08583	3.1
109.10149	2.9
110.10526	0.9
116.05325	2.4
116.09956	0.9
119.08577	4.2
121.10144	1.4
127.03897	1.3
131.08578	1.4
133.10104	2.4
136.65906	1.0
145.10048	1.4
147.11682	1.6
156.13837	66.3
157.14217	1.2
161.13324	1.2
170.58496	0.9
172.11592	2.8
281.57956	1.1
289.21552	7.1
289.25092	2.1
290.28528	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	290.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05500	1.5
56.05031	1.7
56.32627	0.5
57.03447	3.3
58.06601	3.8
60.04521	6.5
67.05490	2.8
69.03445	0.6
69.07065	0.9
69.88264	1.5
70.02938	0.7
70.06593	3.7
70.24241	0.6
71.01350	1.2
71.04990	0.9
71.47785	0.7
72.04514	1.0
72.08156	76.2
72.32787	0.6
72.37585	0.5
73.08485	1.4
74.06085	3.8
79.05482	3.8
81.07052	9.5
83.04977	0.8
84.04536	0.7
84.08144	3.7
85.02895	1.7
85.08917	1.5
86.06057	1.0
86.09708	32.0
87.04445	2.0
87.05604	3.2
87.06843	3.0
87.10040	0.7
91.05484	1.3
93.07055	3.6
95.01298	0.7
95.04957	1.5
95.08608	19.5
96.08094	0.9
97.06519	3.5
98.09662	0.7
99.08052	0.8
101.07128	0.8
102.09186	6.5
105.07034	1.5
107.08588	1.7
109.06538	1.0
110.09666	1.0
111.08072	1.0
112.07577	0.8
113.02349	2.8
113.06017	1.3
115.03886	1.3
117.06955	0.7
120.06583	1.0
121.10126	1.9
123.04403	0.6
123.08065	4.5
124.11226	2.4
125.05963	3.1
128.10733	3.4
131.08171	1.3
132.10202	1.1
135.08052	1.9
139.11168	1.4
143.11780	5.1
145.10088	1.4
149.09581	1.9
153.09103	1.7
154.62473	0.6
159.07635	0.8
163.11197	0.8
167.10760	1.1
171.11290	1.2
173.12860	29.8
184.16968	25.3
185.17369	0.8
187.14447	0.9
188.49896	0.6
191.10658	1.7
201.12363	5.7
202.18063	3.3
203.13898	0.7
209.11742	3.4
210.18484	0.7
212.16403	2.3
215.13959	0.9
254.17424	5.8
272.16269	1.3
272.18567	32.5
273.18820	1.7
290.19608	100.0
290.94681	0.7
291.19888	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	290.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96210	0.4
55.01880	0.9
55.05518	0.5
56.05045	0.7
56.77347	0.5
57.03442	2.2
58.06609	1.0
60.01091	0.5
67.05503	1.8
70.06594	2.9
70.54123	1.1
71.01352	0.4
71.05006	0.6
71.07369	0.6
72.08155	100.0
73.08486	1.5
74.06100	0.9
79.05487	2.1
81.07067	3.2
82.06571	0.5
83.05016	0.8
84.08155	1.5
85.06564	1.1
86.09721	3.4
87.04469	3.2
89.14545	0.5
91.05479	1.1
93.07052	1.5
95.04985	1.7
95.08607	6.7
97.06536	6.8
98.97569	0.5
102.09208	0.9
105.07029	2.2
107.08591	1.0
109.06520	0.8
110.09715	1.1
111.08081	0.5
113.02363	0.6
113.06011	1.9
115.03934	2.0
116.98660	0.6
119.08578	0.5
121.10134	0.7
122.09600	0.4
123.08065	7.6
124.11224	2.9
125.05988	6.1
131.08493	0.5
133.06514	0.6
135.08066	0.6
137.09627	0.9
139.07536	1.1
143.00148	0.6
143.11800	0.7
149.09608	0.8
149.28387	0.5
151.07552	2.0
153.09105	2.3
163.11212	1.2
167.10657	1.0
168.73259	0.4
169.08562	2.4
184.16977	3.3
191.10609	0.7
194.08186	0.6
202.18033	0.6
202.71906	0.5
209.11775	2.6
212.16621	0.5
254.17554	4.1
272.18561	26.0
273.18857	1.0
286.47659	0.7
290.19611	91.3
291.19876	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	290.2325
Annotation	N-Nonyldeoxynojirimycin
Peak:m/z	Relative Intensity
55.05521	5.4
56.05043	5.2
57.03441	5.5
58.06603	35.4
59.49096	0.8
65.03933	1.5
67.05502	12.0
69.03381	1.1
69.07076	5.7
70.06587	6.4
71.04993	2.0
71.07373	1.9
71.29448	1.2
71.32428	0.8
72.08163	4.1
79.05505	7.2
81.07060	22.4
82.06578	1.0
83.04966	1.0
83.06118	1.2
83.08627	2.7
84.08148	20.1
85.06554	1.2
86.09675	0.9
88.07635	1.5
91.05469	4.9
93.07045	6.6
95.08607	13.8
96.08144	0.8
97.06521	0.8
97.10140	1.4
98.06077	1.4
98.09700	3.3
105.07045	2.4
107.08600	3.4
107.18777	0.8
109.10158	6.5
111.08072	1.9
117.07008	0.7
119.08574	1.3
120.08121	1.7
121.06572	0.9
121.10153	3.7
123.08099	0.9
123.11707	1.4
125.09665	1.1
131.08543	1.6
133.03821	0.7
133.10127	3.5
135.11691	1.3
138.09187	0.8
145.10104	1.4
147.11702	1.2
149.13255	1.4
154.05003	1.5
178.18182	0.9
186.50241	0.9
187.14848	2.3
191.03421	1.3
205.06602	0.9
205.15959	1.0
211.97276	0.7
213.10381	1.2
223.16916	2.3
228.10158	2.7
230.08260	0.9
236.20090	7.4
241.09688	1.1
242.10454	1.3
243.11302	1.4
245.12868	1.8
246.11438	0.9
254.21164	41.8
255.21506	2.3
255.62202	0.8
272.22214	54.5
273.12430	2.2
273.22491	2.1
290.23267	100.0
291.06467	3.5
291.13403	8.8
291.23553	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	290.2326
Annotation	N-Nonyldeoxynojirimycin
Peak:m/z	Relative Intensity
53.86494	0.5
55.00384	0.5
55.05510	2.1
56.05038	0.7
57.03442	4.7
58.06601	4.4
59.77657	0.4
65.02658	0.4
67.05505	4.1
69.07064	1.9
69.64663	1.5
70.06588	1.4
71.04980	0.5
71.07368	0.4
72.08157	19.6
79.05487	2.6
81.07059	6.3
83.08604	0.8
83.82644	0.5
84.08144	3.7
85.06531	1.3
85.08924	3.0
86.09695	1.5
91.05482	2.3
93.07047	3.5
95.08608	6.0
96.08131	0.6
97.05340	0.4
97.06573	0.6
98.09697	6.2
107.08611	3.4
109.10155	2.1
110.09679	1.0
111.08082	1.3
112.11240	1.2
119.08562	2.8
125.09665	0.6
131.08557	0.8
133.10109	1.2
135.11691	1.1
137.09579	1.5
149.13274	0.9
154.50871	0.4
158.51689	0.5
163.14832	0.9
173.13310	0.6
181.59334	0.4
191.14381	0.6
209.15417	0.7
254.21164	11.8
272.22211	35.2
273.22583	1.3
286.41263	0.6
290.23254	100.0
291.23599	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	290.2478
Annotation	17a-Aza-D-homoandrost-5-en-3beta-ol
Peak:m/z	Relative Intensity
52.98838	0.5
55.05505	5.3
56.05038	0.8
57.03435	1.1
57.07076	8.8
58.06597	6.2
62.34452	0.5
65.03928	1.3
67.05505	7.5
69.07067	3.9
69.47052	2.5
70.06593	49.3
71.04983	0.9
71.06918	0.6
71.08612	2.0
72.08138	1.1
79.05482	1.9
81.06651	0.7
81.07056	8.7
83.08603	2.8
84.08133	1.8
85.10168	1.3
86.09687	0.6
88.07083	1.2
88.07630	25.7
91.05480	56.2
92.05790	1.3
93.07043	2.0
95.08603	11.1
97.10155	0.6
98.09684	2.3
99.04456	0.5
102.08554	1.0
102.09184	15.4
105.07025	6.5
107.08577	1.0
109.06513	0.8
109.10150	3.6
111.08078	2.9
117.07015	5.8
119.08568	1.8
120.61272	0.6
121.10130	0.9
123.08085	5.2
129.06993	1.0
131.08572	8.4
132.10173	0.6
133.06456	0.6
133.10118	1.6
135.08057	1.4
143.08531	1.0
145.10112	2.4
146.11734	1.2
147.08061	0.8
147.11623	0.6
149.09592	0.7
151.07536	11.5
152.44966	0.5
153.14111	0.6
157.10178	0.8
171.11691	0.9
173.13196	1.0
177.12749	0.6
177.16653	0.5
179.10675	0.8
184.20599	1.6
189.12724	3.5
190.15877	1.6
197.11688	1.7
202.21696	0.6
207.13788	7.4
217.12102	0.5
228.23218	45.9
229.23538	1.8
233.15208	0.9
237.16753	0.6
243.18164	0.6
243.63641	0.6
244.20636	1.4
255.17250	0.7
272.23691	86.5
273.18369	1.0
273.23984	5.2
290.24686	100.0
290.27026	60.9
291.19696	5.3
291.24628	6.8
291.27618	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	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.8
55.05494	5.1
57.03426	3.7
67.05503	10.5
69.03436	2.7
69.07064	7.8
69.97839	7.9
70.06589	7.0
70.64551	1.9
71.04998	4.7
72.08146	4.7
79.05491	8.8
81.03423	3.5
81.07052	12.9
83.08617	3.6
85.06541	2.8
91.05470	10.1
93.07033	12.8
93.20932	1.8
95.04971	6.5
95.08606	14.1
97.10169	2.6
98.30323	1.8
105.07017	9.6
107.04917	2.0
107.08588	10.5
109.06524	7.1
109.10148	4.5
111.04456	3.0
111.08100	2.0
117.07053	3.7
119.04948	2.8
119.08592	7.9
121.06510	6.2
121.10134	6.5
123.08060	7.7
123.11698	2.7
129.07001	2.6
131.08601	4.6
131.79610	2.4
133.10156	7.2
135.08058	9.2
135.11728	3.3
137.09631	2.3
143.08575	4.9
143.54944	1.9
145.10104	5.2
147.04385	6.9
147.08049	4.3
147.11673	2.6
149.09642	4.8
149.13280	2.3
151.07571	2.1
157.10110	3.6
159.08041	3.9
159.11642	3.0
161.09645	3.4
165.09111	3.7
165.10373	2.2
178.89442	1.9
188.79399	1.8
189.09149	2.1
200.74007	2.2
215.14456	2.4
232.10068	2.0
243.99330	1.8
247.09732	3.6
264.14029	2.6
265.15240	6.7
273.07373	7.5
273.18503	7.5
291.08389	100.0
291.15659	6.4
291.19690	21.7
291.83685	1.8
292.08612	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	23.3
66.99777	9.3
70.06578	17.9
71.19746	17.0
72.08150	25.2
74.18406	9.6
81.13198	10.4
84.08152	25.1
86.09705	20.5
98.97598	40.7
105.98650	9.0
116.98543	12.1
147.04382	16.3
161.35791	9.3
181.21529	9.6
193.03690	10.8
204.10260	12.3
218.07265	13.0
230.14897	9.8
291.08350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Epicatechin
Peak:m/z	Relative Intensity
51.02389	0.8
53.03947	0.8
55.01888	1.3
55.05521	0.6
56.96552	0.9
58.06586	0.9
65.03941	0.7
67.05492	1.7
68.99030	2.8
68.99435	1.0
68.99799	2.2
70.06606	0.7
72.08175	0.9
77.03915	0.6
81.07050	0.5
83.04976	1.1
84.08192	0.5
91.05486	2.2
93.03404	1.1
95.04976	2.9
97.02904	0.6
98.23298	1.1
98.97594	0.5
105.03394	0.7
105.07045	0.7
107.08540	0.6
111.03766	0.6
111.04444	3.4
115.05462	1.7
116.98665	0.9
119.04949	7.6
123.04431	65.1
124.04772	1.3
127.03923	1.3
133.06525	1.0
135.04393	0.7
137.02324	1.2
137.05986	0.8
139.03902	100.0
140.04195	2.2
143.04944	2.3
147.04408	23.9
148.04807	0.5
149.05952	0.6
151.03923	2.2
151.07538	1.2
153.05464	0.9
161.05983	9.3
163.03899	1.8
165.05482	12.0
169.04958	0.9
177.05498	1.1
179.07013	3.3
181.04935	0.5
189.05484	2.6
207.06537	7.1
210.85324	0.5
249.07526	1.1
272.21933	0.6
273.07617	1.1
273.22467	0.6
290.22324	5.1
291.08377	9.6
291.22870	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	291.1226
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
51.33336	4.4
53.03952	6.6
55.01867	12.7
55.05514	21.8
57.03444	8.6
59.05017	6.2
65.03936	10.5
67.01879	19.5
67.05501	28.0
69.03419	13.0
69.07073	16.8
71.05008	8.1
71.29974	3.8
72.08165	8.9
79.05486	40.2
81.03405	4.1
81.07060	37.9
83.05000	4.6
83.08599	6.0
85.02929	5.3
91.05483	50.3
93.07045	40.5
95.04977	12.3
95.08605	21.3
97.06488	4.5
101.06020	9.0
103.05463	6.0
105.07026	52.4
106.47872	3.6
107.04942	13.1
107.08580	28.4
108.20953	4.0
109.06477	23.6
109.10163	12.3
111.04418	5.6
114.10299	6.9
115.05451	27.5
116.06215	6.8
117.07032	28.4
119.04966	14.3
119.08577	43.1
121.06510	16.9
121.10161	15.6
123.04436	8.4
123.08061	6.2
123.11690	5.1
128.06226	16.3
129.06999	41.9
131.04865	5.3
131.08553	38.3
133.06482	33.9
133.10156	16.8
135.04422	8.2
135.08049	29.2
137.05972	5.2
137.09657	7.2
141.07011	21.5
142.07780	46.1
143.04890	5.9
143.08534	19.6
144.05627	3.9
145.06480	15.4
145.10124	14.6
147.04373	45.3
147.05316	4.0
147.08058	21.0
147.11696	26.0
149.06012	6.2
149.09634	12.2
149.13187	5.5
151.07507	5.1
152.06192	4.0
155.08516	7.2
157.06525	8.8
157.10141	49.2
159.08051	32.3
159.11755	7.7
160.08810	8.7
161.05988	21.1
161.09639	15.6
163.03960	5.6
163.11166	7.5
166.07738	6.3
167.08600	14.2
171.11713	17.6
173.05991	9.4
173.09650	6.3
175.11174	65.1
177.05434	6.7
177.12833	4.8
181.10098	7.9
184.08855	5.7
185.06032	12.5
185.09608	49.5
187.07532	20.5
189.05505	15.9
189.12683	9.7
199.11157	40.9
203.07094	14.8
203.10641	98.6
204.10907	3.8
213.09082	27.5
215.07118	9.9
217.12230	7.1
217.15855	5.2
227.07155	6.0
227.10637	75.9
227.17816	4.1
231.06516	4.6
231.10155	100.0
232.09937	4.5
245.11714	71.0
245.18988	4.7
246.11717	5.9
247.13011	4.8
255.10124	14.3
255.17241	4.1
263.11734	4.8
273.11188	73.1
273.18399	22.5
291.12097	68.7
291.15881	8.4
291.19403	72.4
291.26801	8.5
292.19983	6.3
306.61615	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.05499	2.7
58.06588	0.9
61.02908	0.7
62.56614	0.6
65.03930	7.2
67.01854	0.7
67.05496	3.0
68.05038	1.3
69.03432	1.6
69.07069	1.9
69.70045	3.0
69.70458	1.1
70.06591	11.6
72.08147	2.2
79.05489	1.8
80.05010	2.5
81.03408	0.8
81.07037	1.7
83.04979	2.5
84.04489	1.1
85.97744	0.8
86.09680	0.8
91.05476	1.4
92.04986	0.7
93.03423	4.5
93.05783	0.7
93.07053	2.3
94.06551	3.7
95.04961	2.8
95.07379	1.1
96.04496	1.5
96.08122	2.8
97.02876	0.9
98.06017	1.2
99.04402	0.7
105.04510	0.7
105.06985	1.7
106.06596	1.3
108.04493	3.5
108.08087	1.4
109.02892	2.2
110.06045	1.5
110.09709	0.7
111.04433	1.6
112.03975	0.9
115.05431	0.9
118.69402	0.7
120.08116	1.4
121.06534	1.9
122.06034	4.5
123.06799	1.9
124.07595	8.7
126.05486	1.2
130.06561	1.6
131.08566	0.9
134.06039	1.6
136.03932	7.0
136.07555	1.5
137.02342	6.7
138.09128	19.7
140.07050	4.6
143.07286	0.7
143.08476	0.9
144.08028	1.4
145.08911	1.3
145.10085	1.1
146.06055	1.6
146.09579	0.8
147.04399	2.7
147.09172	1.3
148.07600	1.1
148.11235	0.8
148.16675	0.8
150.05545	1.0
152.07004	1.7
154.04987	21.0
154.06299	1.4
155.08519	1.0
157.08856	2.5
157.10033	0.9
158.06052	1.2
158.09624	0.9
159.10408	1.0
160.07545	2.0
160.09981	1.3
160.11263	1.9
161.07025	0.8
162.05524	0.9
162.09103	0.9
164.07019	3.2
167.07288	1.4
168.06592	1.4
168.07913	0.9
169.07596	0.8
170.06006	0.9
170.09656	1.4
171.06789	1.3
172.07610	1.8
172.09872	0.9
172.11211	2.1
173.07101	0.7
173.08281	1.3
173.10756	1.2
174.07881	0.9
174.09167	3.6
174.11531	2.0
175.08612	1.4
175.12373	4.3
176.07025	0.9
176.10684	1.9
181.07578	0.9
182.08215	1.1
182.09688	1.4
183.09222	1.0
184.07500	1.3
184.09956	2.1
185.06912	0.9
185.08351	4.5
186.09152	1.7
187.08601	1.5
187.27603	0.8
188.09273	1.4
188.10861	4.7
189.06540	1.1
189.10208	1.7
189.13884	1.3
190.08717	1.6
190.12279	1.9
196.06058	0.9
197.07132	0.9
198.07840	1.9
199.06859	0.8
199.08618	4.2
199.12256	2.1
200.07018	2.5
200.09375	0.9
200.10786	8.6
201.10197	2.3
202.08768	1.1
202.10907	1.6
203.08107	2.5
203.11807	6.2
204.08693	0.8
210.09114	1.4
210.12263	0.8
211.08650	1.2
212.09380	5.5
213.06229	0.8
213.07921	2.4
213.10226	8.9
214.08882	1.2
215.08099	2.5
215.11646	3.7
216.10184	6.9
216.12555	2.3
217.09781	2.7
217.13333	7.3
218.11748	2.5
226.07326	1.8
227.08145	11.7
227.11699	7.3
228.10234	31.5
228.12448	1.7
229.11217	5.5
230.10455	2.1
231.11214	4.2
232.12051	2.4
233.12932	1.3
234.11263	0.9
237.10262	1.0
240.08926	2.2
241.07213	1.1
241.09673	14.6
242.10495	17.4
243.11267	16.5
244.09805	1.0
244.12042	7.1
245.12849	24.9
246.11174	10.0
247.10849	1.4
255.11285	8.0
256.09592	4.6
260.11597	4.1
261.09979	1.7
261.12372	2.4
262.10770	2.4
263.13965	2.4
273.12326	31.6
274.10587	9.0
291.13367	100.0
292.11728	5.1
292.14090	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	291.1339
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
53.03941	2.3
55.05499	2.7
56.05022	0.9
64.94160	0.9
65.03934	5.2
67.01878	1.0
67.05508	3.8
67.89005	0.7
68.81944	0.8
69.03428	5.5
69.07072	1.9
70.06585	3.2
70.84915	1.5
72.08144	4.9
79.05495	2.5
80.05001	1.8
81.03424	1.6
81.07063	2.2
83.04976	1.7
84.04503	1.0
84.08146	2.1
84.95145	0.8
86.09709	2.5
91.05463	4.0
93.03398	3.4
93.07033	2.5
94.06569	3.8
95.04966	2.1
95.08601	1.3
96.04501	2.0
96.08126	2.2
97.02872	1.2
98.06081	0.9
98.97574	1.0
104.15804	0.9
105.04509	1.0
105.07018	1.7
106.06526	1.2
107.04894	0.8
107.08579	0.8
108.04502	4.0
108.62499	0.8
109.02886	2.9
110.06044	2.0
111.04405	0.9
112.03984	1.0
119.04944	7.4
120.08107	2.6
121.06455	1.5
122.06023	4.3
123.06805	1.3
124.07587	10.4
126.05476	1.1
127.03906	1.5
129.06996	1.8
129.10187	0.9
130.06546	1.5
131.07332	1.0
132.08212	1.0
133.07625	0.8
134.06018	2.4
136.03931	7.4
136.07567	2.0
137.02342	4.8
138.09132	17.6
140.07065	3.4
141.05481	1.1
142.07758	1.0
144.08116	1.5
145.10120	2.1
146.05986	1.3
147.04405	32.1
147.12126	0.8
150.05511	2.6
150.09105	0.8
152.07080	2.1
154.04985	14.8
157.08856	2.6
157.10110	1.0
158.09653	1.2
159.09187	1.0
159.10417	1.0
160.07570	2.7
160.10005	1.2
160.11241	1.9
161.07104	1.4
161.08377	1.4
162.05396	0.9
162.09190	1.1
164.07037	1.9
168.06560	2.5
172.07581	2.0
172.09926	1.1
172.11240	2.5
173.10837	1.2
174.09166	2.3
175.08675	1.9
175.09961	1.3
175.12323	2.8
176.10629	1.4
178.04999	1.8
178.08640	1.1
182.09633	1.1
184.07591	1.7
184.09938	2.2
185.08430	4.2
186.09149	2.1
187.08627	2.6
188.07037	1.5
188.09322	1.1
188.10764	4.6
189.06601	1.3
189.10199	2.2
189.13930	2.0
190.07285	1.7
190.08757	1.2
190.12286	2.4
196.06050	6.1
198.07886	2.3
199.08687	5.4
199.12303	1.6
200.07150	1.6
200.09390	4.7
200.11002	8.3
201.06580	1.4
201.10258	2.3
202.08826	1.5
202.10980	2.6
203.08145	2.8
203.11800	6.4
204.10167	3.1
205.13364	1.1
209.07092	1.7
211.08699	1.9
212.09380	4.9
213.07999	1.7
213.10175	8.4
215.08185	3.3
215.11769	8.3
216.10187	4.0
216.12558	2.9
217.09763	2.5
217.13272	7.1
217.15198	1.2
218.11693	4.8
221.07216	0.8
221.09309	2.5
226.07187	1.9
227.08168	10.2
227.11693	8.7
228.10347	26.0
229.10925	3.4
230.10272	4.3
231.07668	2.2
231.11317	5.9
232.12100	3.8
233.12723	1.6
240.08983	2.4
241.09732	13.3
242.10464	18.1
243.11275	44.3
244.09592	1.1
244.12050	13.7
245.09288	1.6
245.12849	26.9
246.11238	13.7
246.13519	1.0
248.12860	2.6
255.11348	7.3
256.09671	3.0
256.40668	0.8
257.08011	1.0
259.10901	1.0
260.11581	5.7
261.12363	6.0
263.09116	0.8
263.14099	2.3
273.12323	34.9
273.22421	2.4
274.10654	17.3
291.13385	100.0
291.23444	3.7
292.11520	2.5
292.13855	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	291.1339
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
53.03941	3.7
56.05035	2.8
58.06607	21.0
59.06927	5.2
65.03926	4.3
67.05490	12.2
69.07748	10.6
69.08178	11.0
70.06575	10.6
71.04981	3.3
72.08137	10.5
79.05485	5.5
81.07047	10.5
82.07398	6.7
83.04980	4.5
83.08640	3.7
84.08118	9.1
85.08482	5.8
88.07612	2.6
91.05482	4.7
93.03397	3.2
93.07027	5.9
95.04923	4.4
95.08591	6.2
95.40710	2.9
96.08122	3.6
96.08932	2.8
98.22586	5.6
98.97586	5.3
104.53988	2.7
109.02905	3.4
109.07684	2.7
122.06051	6.1
124.07546	8.5
130.06474	3.8
136.03922	8.6
137.02327	7.9
138.09117	17.5
147.04359	9.5
154.05048	16.8
157.08862	2.9
164.06992	3.8
172.11185	3.3
174.09222	3.6
175.12357	4.8
176.10680	4.2
182.48512	2.6
186.09134	3.5
199.08591	5.4
200.10683	6.5
203.08363	5.9
203.11713	7.5
212.09395	4.4
213.10214	6.4
215.07704	3.0
215.11714	3.6
216.10141	7.4
217.13368	6.0
221.12825	3.0
227.08098	8.2
227.11722	8.3
228.10263	26.7
229.10986	3.0
231.07999	4.3
231.11259	3.6
232.11908	3.3
237.20393	6.5
241.09680	13.2
242.10448	13.1
243.11267	15.8
244.09666	3.6
244.12004	6.0
245.12888	20.9
246.11122	9.0
248.08304	6.8
255.11241	7.2
255.21460	28.9
261.10117	4.4
263.13815	3.4
273.12314	27.2
273.22574	27.3
274.10721	7.3
290.23206	3.8
291.10098	12.0
291.13318	100.0
291.16599	6.0
291.23584	68.0
292.11478	6.6
292.23535	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	2.1
55.05520	5.8
57.03442	2.0
57.07074	3.7
58.07399	1.3
58.40612	1.0
58.85567	1.0
59.05006	1.5
67.05502	9.4
69.03432	2.0
69.07063	4.8
69.50347	5.7
70.06593	7.4
71.04999	2.4
71.06921	2.0
72.08182	1.7
77.03910	1.3
79.05497	8.8
81.07050	10.2
83.04984	3.7
83.08627	4.6
85.06541	3.0
87.23470	1.1
88.07630	6.1
89.07955	1.5
91.05476	9.9
93.07040	10.9
95.04973	4.7
95.08604	12.8
95.89067	1.1
97.06541	3.9
98.23285	1.6
99.04446	1.7
102.09190	3.3
103.05451	1.3
103.09510	2.3
105.07037	10.0
107.04935	5.8
107.08605	6.7
108.05753	1.3
109.06510	10.5
109.10167	5.1
111.04446	1.2
111.07352	2.0
111.08087	22.1
113.06008	1.6
113.09684	1.1
113.19352	1.0
117.07027	4.0
119.08567	7.9
121.06518	2.9
121.10126	6.8
122.07306	1.5
123.08073	27.2
123.11698	2.1
124.08391	1.2
125.06071	1.1
125.09658	1.2
129.07028	2.7
130.07797	1.1
131.08571	7.1
133.06494	2.6
133.10103	6.0
135.08063	9.8
135.11676	3.6
137.09636	3.2
143.08572	3.7
145.10155	11.1
147.08025	3.3
147.11662	5.5
149.09660	5.5
151.07544	100.0
152.07915	2.5
154.43848	1.2
157.10135	4.7
159.08040	1.7
159.11681	3.5
161.09596	5.1
161.13284	1.8
163.11180	4.8
171.11699	3.0
173.13225	4.6
174.10458	1.4
175.11221	4.6
177.09157	1.9
177.12810	1.4
179.10699	6.5
183.11789	1.4
185.13277	2.3
187.11203	3.0
189.11168	1.1
189.12755	29.5
191.14357	3.3
192.11497	3.2
197.11716	18.2
197.13231	1.9
197.38654	1.1
203.14386	1.4
207.13808	70.5
208.14200	3.0
213.16493	1.6
215.14272	3.2
217.12172	2.6
228.23157	1.7
229.23582	16.2
231.17557	1.7
233.15388	12.8
235.13344	2.9
255.17419	3.2
273.18488	12.6
273.24051	3.6
291.16440	1.9
291.19568	56.5
291.27319	34.7
291.29950	0.8
292.20023	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.11448	1.5
50.72937	1.5
53.03962	1.5
54.32701	1.5
55.05518	12.5
57.07061	2.7
59.05002	3.0
61.87792	1.6
63.29998	1.7
66.16557	1.6
67.05507	8.7
69.03419	3.1
69.07053	2.1
69.41629	10.1
69.42022	3.6
71.04993	4.5
75.36735	1.8
79.05497	12.2
81.07043	11.1
83.04970	3.2
83.08619	10.8
85.06544	2.9
91.05476	8.4
93.07039	12.4
95.04970	7.6
95.08596	20.9
97.06553	3.0
105.07042	10.4
107.04954	15.9
107.08602	10.3
109.06507	9.6
109.10158	2.6
111.04462	1.7
111.08081	42.7
117.07044	2.2
119.08599	11.6
121.06520	3.0
121.10132	5.4
122.07279	2.9
123.08062	36.6
123.08935	2.6
125.09637	3.0
130.07799	1.7
131.08568	6.1
133.06493	4.0
133.10144	10.6
135.08044	6.0
135.11743	3.2
137.09602	4.5
143.08598	3.3
145.10115	5.6
147.08049	4.4
147.11734	5.0
149.09637	8.8
151.07535	100.0
152.07906	2.1
153.15581	1.5
153.26520	1.7
155.10690	5.4
157.10074	2.7
161.09663	2.7
162.75896	1.7
163.11179	2.3
171.11719	3.0
173.13269	6.8
175.11217	6.9
179.10666	5.3
189.12723	25.9
191.14333	15.1
192.11449	4.2
197.11722	12.0
197.13289	3.2
207.13799	66.0
208.14059	2.3
215.14334	4.8
217.12303	2.4
233.15347	32.2
249.18507	2.8
255.17519	2.2
273.18539	4.4
274.74728	1.8
290.41803	1.8
291.19540	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03953	4.1
55.01862	6.9
55.05508	16.7
55.97004	2.2
57.03440	3.4
57.07069	3.3
67.05511	13.9
69.03425	11.0
69.07069	19.7
70.06596	2.9
71.04977	6.7
72.08154	2.5
76.38466	2.1
79.05485	27.5
81.03428	3.3
81.07056	30.9
83.04971	9.4
83.08601	12.3
85.06528	4.0
91.05470	29.1
93.07041	44.6
95.04966	9.7
95.08601	24.2
97.06519	5.6
97.10172	5.2
99.08075	3.6
103.05463	2.3
105.07014	35.9
107.04958	7.9
107.08594	33.9
109.06514	41.8
109.10146	14.6
109.51461	2.3
111.08083	8.9
115.05400	3.3
116.98601	2.7
117.07005	7.8
119.08578	21.1
121.06531	5.3
121.10140	51.1
123.08057	16.9
123.11704	7.4
125.09639	15.6
129.06992	5.9
131.08577	15.3
133.06467	5.5
133.10107	12.2
135.08058	20.1
135.11688	7.3
137.09630	7.0
139.11130	4.5
142.07742	4.3
143.08543	7.1
145.10184	12.3
147.04420	8.8
147.08041	8.8
147.11688	10.9
149.09607	21.8
149.13283	4.0
151.07559	17.7
155.08553	2.5
157.10150	7.6
159.08052	3.9
159.11668	8.4
161.09590	3.9
161.13258	3.5
163.11238	4.0
167.10672	100.0
171.11685	7.5
173.09599	3.5
173.13216	12.5
175.11157	12.3
182.10953	3.0
185.09521	2.5
187.14835	3.8
189.12741	5.4
191.10719	14.2
191.14301	9.2
197.13277	6.0
207.13788	7.4
213.16383	2.6
215.14299	7.6
217.12230	3.6
233.15378	21.8
245.18993	3.6
249.18677	3.5
255.17451	6.4
273.18451	25.3
274.18613	3.2
291.08258	2.8
291.11346	6.7
291.16101	3.3
291.19492	63.2
291.26767	3.0
292.19745	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03949	5.4
55.05515	19.0
55.41514	1.7
57.07050	2.2
67.05508	36.1
69.03408	2.1
69.07073	19.1
69.28525	11.8
79.05497	66.3
81.07057	55.0
83.08615	11.8
84.84394	1.6
85.06545	2.3
91.05487	24.7
93.07045	100.0
94.07376	1.7
95.04987	7.1
95.08614	32.3
97.06551	3.5
97.10171	4.9
99.08058	1.7
105.04536	2.3
105.07033	18.1
107.08597	62.1
109.06502	1.7
109.10172	15.0
111.08092	3.0
117.07050	2.8
117.33255	1.6
119.08576	18.2
121.06458	2.5
121.10144	44.0
122.10497	2.3
123.11714	4.5
125.09678	3.2
129.06998	3.2
131.08575	7.0
133.10135	14.1
135.08136	3.2
135.11694	54.7
137.09660	2.7
143.08565	2.5
145.10164	6.2
147.11661	11.1
149.09634	3.5
149.13245	29.8
149.14336	2.4
151.11165	2.5
157.10118	3.4
159.11769	4.1
161.13289	7.4
163.11241	5.9
163.14822	10.7
171.11688	5.1
173.13264	2.5
175.14851	5.2
177.12830	2.2
185.13295	3.5
189.12697	3.9
199.14760	3.3
206.10916	1.7
207.11687	3.1
214.52037	1.7
217.19479	3.2
219.11699	2.1
221.13329	3.6
233.13249	2.2
241.19641	4.7
249.18480	2.8
259.20590	9.6
273.16214	2.9
291.17615	3.5
291.23270	67.9
292.23486	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	292.1292
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
50.48330	1.0
50.88829	1.1
52.81729	0.9
54.21828	1.0
58.06602	5.6
58.06847	1.0
60.04227	1.7
60.04526	31.0
65.24504	0.9
70.02962	2.6
70.06581	3.4
70.74591	1.1
70.74911	2.0
72.08162	9.2
79.05490	2.1
81.07047	1.2
84.04479	1.0
84.08144	1.9
85.04020	6.2
86.09693	1.3
91.05487	1.6
93.07049	1.0
98.97588	1.3
110.07166	2.1
112.11314	1.0
115.05037	11.7
116.98654	1.9
118.06555	11.4
119.04936	1.9
130.06543	11.6
131.06947	1.1
132.08093	13.6
134.81038	1.1
142.06519	3.7
144.08073	14.6
146.06015	52.4
147.04405	11.7
147.06297	1.6
158.08405	2.3
159.09193	13.5
170.06004	7.4
183.09195	1.7
187.08655	3.5
188.07071	100.0
189.07451	2.9
204.10228	6.7
204.30563	1.0
205.09727	48.1
206.09978	1.8
245.09312	3.1
246.12379	10.7
254.91872	1.1
269.05371	1.1
274.11932	4.2
274.20190	3.8
275.17548	2.8
292.12900	14.4
292.20993	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	292.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05513	1.5
56.05036	0.4
57.03440	2.4
57.05803	0.5
58.06603	1.4
59.05005	0.4
67.05490	2.0
69.03416	0.6
69.07091	0.6
70.06588	1.5
70.42929	1.1
71.04990	0.9
71.07381	1.0
72.08154	64.7
73.08486	0.7
79.05493	6.7
81.07051	4.4
83.04966	0.9
83.08627	0.6
84.08132	1.1
85.06554	0.7
86.09704	3.9
91.05492	3.0
91.28143	0.4
93.07043	5.6
95.08595	1.3
97.06532	0.6
97.10187	0.8
98.09699	1.0
100.07629	0.7
101.08387	0.6
102.09193	1.3
105.07022	1.4
107.08566	4.3
109.06506	1.7
109.10151	0.5
111.08070	1.8
117.07037	1.1
119.04923	0.5
119.08594	0.9
121.06487	0.5
123.08099	0.5
123.69543	0.4
125.09628	2.7
131.08594	0.5
133.10150	0.7
135.08031	3.4
137.09644	0.9
147.04393	1.4
147.11652	1.4
153.09125	2.7
161.75523	0.4
170.15417	1.3
171.66313	0.4
175.11134	0.5
187.11803	0.4
193.12222	0.8
196.16908	0.5
204.10249	0.8
214.17967	0.9
238.18025	1.3
256.19113	4.6
274.20126	14.1
275.20303	0.8
284.51749	0.6
292.21173	100.0
293.21515	4.2
300.21942	0.4
312.36682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2635
Annotation	17beta-Amino-5alpha-androstan-11beta-ol
Peak:m/z	Relative Intensity
51.02393	0.4
53.03949	0.7
55.01865	0.8
55.05513	3.0
56.05035	2.3
57.03442	1.9
57.07063	0.4
58.06348	0.5
58.06601	5.1
67.05507	9.5
69.03437	0.4
69.07069	2.1
70.06586	3.4
71.04964	0.4
71.07375	3.3
72.08147	2.0
79.05497	7.3
80.05823	0.6
81.07055	6.4
82.06567	0.5
83.04955	0.5
83.08622	1.4
84.07634	0.5
84.08142	10.8
85.06576	0.6
88.07597	0.7
91.04960	0.7
91.05482	6.5
92.05776	0.4
93.07044	6.8
95.04938	1.2
95.08618	4.0
96.08134	1.9
96.08961	0.4
97.06531	0.7
97.08929	0.8
97.10218	0.4
98.09704	0.8
103.05441	0.4
105.04464	0.5
105.07035	3.3
107.04958	0.6
107.08609	3.8
108.08112	0.8
109.06529	1.5
109.10158	0.9
110.09680	2.4
111.10441	0.4
112.11242	7.0
117.07021	1.0
119.08576	2.1
120.08064	0.5
121.06516	0.4
121.10158	1.4
124.11230	1.2
125.09627	0.6
128.10703	2.3
131.08560	1.1
133.10126	1.2
134.30855	0.4
135.08115	0.4
135.11707	0.5
145.10068	1.1
147.04407	1.3
147.11598	0.9
148.19411	0.4
149.09573	0.4
159.11804	0.5
166.15868	0.4
171.11705	0.5
184.94235	0.4
204.10181	0.5
272.15948	0.4
274.25275	16.3
275.19974	0.9
275.25705	1.0
292.26331	100.0
293.12708	0.4
293.21149	0.6
293.26675	6.0
302.42654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2632
Annotation	17beta-Amino-5alpha-androstan-11beta-ol
Peak:m/z	Relative Intensity
55.05512	6.9
55.72066	0.4
56.05048	0.5
57.03454	1.0
57.07077	1.6
58.06603	4.3
65.03939	0.7
67.05505	2.4
69.07069	6.3
70.06585	1.1
71.04992	0.4
71.08630	0.8
71.30748	0.4
72.08177	0.8
74.06092	0.6
79.05507	1.8
81.03460	0.5
81.07059	2.5
83.08611	3.7
88.07630	1.7
89.07944	1.0
91.05480	46.0
92.05822	1.0
93.07053	1.4
95.04984	0.6
95.08604	2.1
97.10168	3.2
105.07025	6.1
107.05029	0.5
107.08554	0.8
109.10187	1.0
111.11742	1.1
117.07032	4.7
119.08601	1.9
131.08565	8.5
133.10124	1.4
137.06055	0.5
145.10126	1.3
147.04398	0.7
147.11761	0.5
151.11165	0.5
159.11615	0.5
173.25676	0.4
177.05469	1.1
178.06371	0.9
219.17595	0.5
233.11781	1.3
238.88814	1.0
244.25470	1.6
248.61247	0.4
251.09866	0.4
273.85806	0.5
274.25284	100.0
275.20044	1.8
275.22852	0.7
275.25800	4.5
285.35718	0.4
292.19861	1.4
292.26291	25.5
293.21136	1.0
293.26767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	4.2
60.05643	7.7
63.96761	3.4
70.06594	12.0
70.90046	8.2
72.98782	3.8
83.29875	3.4
88.03152	3.3
109.93517	3.9
110.07154	9.4
116.07114	4.0
118.08662	98.0
119.01928	5.5
119.09035	19.8
139.74944	3.7
143.01898	16.2
150.91937	3.8
155.01939	5.5
161.02910	17.3
161.99522	27.7
173.02991	12.1
175.11890	27.2
176.12440	7.2
188.91515	19.1
191.03995	4.2
192.62216	3.2
293.06317	100.0
309.00714	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	293.1166
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
55.01870	4.2
60.92556	2.1
61.01146	17.8
62.71011	2.2
67.05495	1.7
69.27980	9.6
70.02947	2.6
70.06585	5.0
72.04520	16.7
72.08150	3.1
73.02908	4.1
78.03365	2.0
78.03791	34.2
79.65665	1.6
81.03400	1.9
83.05000	2.9
84.08143	3.5
85.02905	22.8
86.06049	5.0
99.04453	16.6
102.03767	52.1
103.02152	5.4
103.03947	37.2
104.50257	1.9
108.78490	1.7
109.02871	7.5
110.07169	3.1
114.03739	2.4
114.05524	4.3
115.02157	2.0
116.85664	1.8
118.03268	2.8
120.04812	9.6
120.08062	2.9
126.05518	41.0
127.03910	13.0
131.06380	22.3
132.04800	19.5
147.04436	2.0
148.66658	1.6
149.07445	100.0
152.07077	4.6
154.08600	4.5
156.06512	2.6
160.84970	1.6
168.25958	1.7
175.05400	6.2
180.06567	32.5
198.07632	7.2
216.08652	5.0
222.08078	2.3
231.11609	8.9
233.09630	2.0
257.09412	2.3
264.09290	1.7
275.10611	3.2
280.58090	1.6
293.11636	76.3
293.14981	4.3
294.11832	2.3
294.16788	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
53.36934	0.3
62.84401	0.2
67.05491	0.4
69.07074	1.1
69.55377	0.3
70.06596	0.3
72.08171	0.6
79.05483	0.5
81.07041	0.5
84.08133	0.9
86.09702	100.0
87.10043	1.0
91.05484	1.0
93.07039	1.1
95.08606	0.5
98.22626	0.5
103.05455	2.5
105.07040	0.9
106.07359	1.1
107.08590	0.3
112.04111	0.3
114.52545	0.3
119.08582	0.4
120.08099	99.2
121.06501	4.5
121.08425	1.8
129.10286	0.4
131.04927	1.8
135.08089	0.3
146.09622	0.4
163.07550	2.6
180.10184	74.7
181.10519	2.2
233.16455	2.3
239.63835	0.3
258.36490	0.3
275.20197	0.3
293.09778	0.5
293.13168	0.4
293.18460	3.2
293.21176	0.4
309.26022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.03599	1.0
53.03946	7.7
55.01871	9.6
55.05512	22.8
57.03434	2.9
57.07086	2.0
65.03941	3.1
67.05505	38.3
69.03425	2.6
69.07067	21.3
69.19418	2.1
69.19823	4.8
71.04997	3.8
71.08659	1.1
76.65945	1.1
79.05494	42.3
79.88917	1.0
81.03413	10.1
81.07056	100.0
82.06572	1.4
82.07387	2.3
83.04990	6.6
83.08620	17.2
84.08144	2.3
85.02934	1.3
85.06551	3.9
87.55206	1.2
91.05480	30.7
93.07044	24.3
95.04967	19.3
95.05551	1.3
95.08040	2.3
95.08602	21.3
95.09162	1.6
96.05766	1.0
97.06529	9.6
97.10179	4.1
98.22589	1.9
99.08111	2.4
99.50970	1.1
105.07027	25.7
106.07397	1.1
107.04959	10.3
107.08594	18.3
107.09274	1.7
109.05778	2.4
109.06521	38.7
109.10150	8.5
111.04481	1.3
111.08098	4.8
111.11711	1.5
117.07005	6.4
119.08590	18.8
120.08110	3.4
121.06506	5.1
121.10138	12.1
123.04375	1.3
123.08062	12.6
123.11730	2.9
123.63120	1.2
124.83559	1.2
125.09636	3.1
129.06999	2.0
129.10260	1.1
131.08549	10.3
133.06477	1.4
133.10135	16.2
135.08076	3.7
135.11707	6.9
137.09627	6.5
143.08545	2.2
145.10101	12.4
147.08057	1.8
147.11673	14.4
149.09645	11.8
149.13295	4.6
151.11214	4.3
155.08661	1.3
157.10159	3.9
159.11667	7.1
161.09669	2.1
161.13293	4.2
163.11179	8.9
163.14880	2.3
165.12753	4.2
166.21378	1.1
171.11761	1.3
173.09627	2.9
173.13316	4.5
175.11165	2.9
177.12749	3.7
179.14194	1.1
185.13364	1.3
187.11255	1.7
191.14297	1.6
193.12274	3.2
197.13307	2.4
198.17725	1.0
199.14865	1.3
207.13866	1.9
215.14391	1.8
219.13956	1.7
219.17548	1.7
223.13336	2.1
229.19449	1.9
233.15334	1.2
239.17975	2.3
247.20631	3.0
257.18979	7.2
275.20056	47.2
275.23001	2.3
276.20398	2.2
293.13235	1.1
293.21140	37.4
293.26709	4.3
294.21429	2.0
294.24380	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.84595	0.8
53.03947	2.4
55.01868	4.7
55.05242	1.0
55.05511	14.8
56.24497	0.8
57.03441	2.4
57.07079	1.9
57.87880	0.8
65.03938	1.9
67.05505	30.5
69.03429	1.8
69.07069	25.2
71.05003	2.0
71.08642	1.5
71.30415	1.0
71.82722	0.9
79.05495	20.2
81.03421	1.2
81.07056	36.6
83.04980	7.3
83.08608	5.4
84.08161	1.2
85.06551	1.4
85.85308	0.8
91.05479	21.0
92.12617	0.8
93.07049	28.9
95.04977	8.9
95.07987	1.0
95.08604	20.1
96.08968	1.0
97.06522	4.9
97.10181	2.7
99.08093	1.1
105.07036	27.4
106.07421	1.1
107.04961	8.2
107.08600	16.2
109.06515	10.5
109.10149	10.6
111.08096	2.4
115.05435	1.2
117.07024	7.4
119.08592	14.4
120.08033	0.9
121.06504	10.0
121.10144	8.6
123.08062	5.6
123.11708	3.8
125.09660	1.5
129.07007	1.7
131.08562	13.1
133.06456	2.4
133.10127	18.9
135.08047	4.6
135.11679	6.8
137.09612	3.4
137.13283	1.3
141.07050	0.9
143.08569	3.0
145.06500	1.7
145.10114	11.4
147.08038	1.9
147.11693	10.1
149.09656	5.7
149.13275	2.8
151.11159	7.9
152.07027	0.8
157.10143	3.3
159.08018	1.8
159.11664	6.8
161.09633	3.8
161.13289	3.8
163.11230	5.3
167.10593	0.9
169.10103	1.3
171.11739	1.5
173.09615	3.2
173.13272	4.1
175.11180	2.7
177.12820	2.7
183.11736	2.6
185.13292	1.2
187.14859	1.0
191.14348	3.0
197.13283	1.0
199.14871	1.8
201.12729	2.2
206.33107	0.7
207.13824	2.9
215.17824	1.4
219.13823	6.2
228.04721	0.9
229.19554	2.0
239.18022	3.2
247.20567	3.5
257.18979	14.2
258.19449	1.1
275.20056	100.0
276.20337	4.6
293.21097	24.9
293.26260	1.2
294.21625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02374	1.1
53.03936	4.0
55.01871	7.9
55.05508	13.7
57.03433	1.9
57.07064	1.4
65.03925	1.9
67.05501	25.6
69.03418	1.6
69.07071	11.5
69.07426	1.6
70.06580	1.7
71.04994	2.8
72.08153	2.8
72.49186	0.9
79.05491	22.3
79.05917	2.0
81.03412	5.1
81.07052	37.8
83.04961	3.5
83.08620	8.2
84.08141	8.6
85.06532	2.8
86.09702	59.5
91.05476	19.1
91.06011	1.6
93.07034	21.3
93.09013	0.9
95.04964	8.7
95.08600	20.2
97.06512	9.9
97.10149	4.4
99.08078	1.9
103.05486	5.5
105.04490	1.2
105.07017	17.3
107.04947	5.2
107.08599	16.8
109.06502	8.5
109.10143	9.4
111.08044	3.6
113.09660	1.1
115.98110	0.9
117.07018	6.6
119.08584	14.2
120.08099	100.0
121.06515	5.9
121.08442	3.1
121.10134	8.8
123.08060	5.5
123.11674	4.7
125.09647	2.7
129.07002	1.6
129.10213	1.5
130.08644	1.5
131.04924	1.3
131.08572	7.5
133.10121	14.5
135.08058	3.7
135.11684	4.8
137.09550	7.0
137.13203	1.4
141.07034	1.5
143.08549	1.7
145.10091	7.3
146.11752	9.5
147.11681	8.2
148.04759	1.2
149.09615	10.0
149.13197	3.2
151.11153	5.2
155.08640	1.1
157.10109	1.7
159.11639	5.2
161.13254	3.8
163.03911	1.3
163.07564	2.4
163.11185	7.9
165.09102	1.9
167.10828	1.1
171.11691	1.7
172.73709	1.0
173.09639	1.7
173.13239	2.9
177.12750	1.2
180.10181	32.9
183.11627	2.2
187.14793	1.5
189.12772	1.2
191.14310	1.5
193.12216	1.3
229.19475	2.4
233.16447	1.6
235.17213	0.9
239.17944	3.6
247.20523	4.7
257.19028	8.0
275.20038	51.2
276.20477	2.7
293.10110	1.1
293.13437	3.3
293.18387	1.4
293.21094	18.5
293.24054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03748	1.4
53.04023	4.7
55.01664	1.8
55.01951	10.8
55.05290	4.0
55.05589	22.0
57.03229	1.6
57.03524	3.2
57.07159	3.6
65.04029	2.7
67.05194	5.9
67.05595	46.4
69.03521	2.6
69.06741	2.8
69.07161	23.7
69.42346	4.1
70.06647	1.0
70.07503	0.9
71.05091	3.9
71.08690	0.9
72.08230	1.0
77.03979	0.7
77.18483	0.8
79.05080	3.8
79.05594	41.8
81.02984	1.6
81.03521	9.6
81.06393	2.7
81.07155	82.7
82.07459	1.5
83.05083	7.0
83.08186	1.2
83.08720	16.2
84.08247	4.4
85.02973	1.0
85.06650	3.8
86.09821	2.8
89.15456	0.8
91.04979	2.3
91.05589	30.5
93.06501	3.0
93.07152	36.9
95.04440	0.9
95.04971	16.7
95.08063	2.9
95.08716	37.4
96.08987	1.0
97.06530	14.0
97.10178	7.3
99.04556	0.8
99.08199	3.1
103.05559	1.7
105.04641	2.2
105.06389	2.6
105.07024	39.5
106.07411	1.3
107.04947	11.5
107.07929	1.1
107.08594	32.4
108.09013	1.0
109.06515	24.5
109.10150	17.9
111.04555	0.7
111.08086	5.0
113.06095	1.0
113.09718	1.2
115.05534	1.5
117.07014	12.9
119.07787	1.6
119.08578	30.1
120.08110	7.6
120.36906	0.8
121.06498	7.2
121.10141	20.5
122.10581	1.1
123.04552	1.0
123.08064	10.3
123.11711	9.8
125.06072	0.8
125.09638	8.8
127.07631	1.5
129.07018	3.7
129.10347	1.1
130.08714	0.9
131.04991	0.9
131.08565	14.4
133.06625	2.7
133.09178	1.1
133.10123	27.2
135.08055	8.3
135.11682	10.6
137.06039	0.9
137.09608	9.0
137.13359	2.7
139.07648	0.8
139.11279	2.7
141.07045	1.7
143.08673	2.8
145.06563	2.0
145.10127	17.4
147.08104	4.1
147.11684	20.9
148.04758	0.8
149.09615	20.5
149.13246	5.3
151.11198	9.7
153.09186	1.8
153.12762	0.9
155.08684	2.4
157.10065	4.5
159.08147	1.6
159.11682	12.2
161.09718	3.3
161.13272	5.9
163.03983	2.0
163.11172	13.6
163.14880	1.7
165.09088	5.6
165.12747	4.9
167.10745	1.0
167.14465	1.1
169.10266	3.0
171.11708	3.7
173.09740	3.5
173.13274	7.7
175.11203	4.0
175.14929	1.0
177.12714	3.9
179.10770	1.3
179.14374	1.9
180.10249	1.6
181.12341	1.1
183.11757	3.2
185.13376	1.0
187.11308	3.1
187.14925	2.2
189.11325	3.0
189.12834	1.1
191.10782	1.3
191.14381	2.6
193.12358	2.6
195.13985	1.0
197.13341	2.2
201.12889	1.8
201.16530	1.6
203.14384	0.9
205.15887	0.9
213.16368	1.3
215.14368	1.4
215.17990	2.1
219.13841	1.2
219.17537	1.3
221.15306	0.9
223.13283	1.0
229.19490	6.0
233.15327	1.0
233.19035	2.6
237.14966	1.0
239.17944	6.1
247.20567	8.0
249.10277	0.8
257.19000	11.8
265.21735	0.9
275.20047	100.0
276.17801	0.8
276.20374	5.0
288.83640	0.9
293.09683	1.5
293.13028	2.4
293.17563	2.9
293.21054	41.7
293.28317	2.1
294.18143	1.1
294.21338	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	8.2
53.88568	1.5
55.01870	14.8
55.05241	1.4
55.05509	27.3
57.03419	4.8
57.07066	2.8
59.04987	2.0
65.03909	3.2
67.05502	56.2
69.03407	4.9
69.06730	1.9
69.07066	23.5
69.10062	10.5
70.06575	3.1
71.04993	6.8
72.08148	1.9
73.83805	1.3
79.05492	45.5
81.03423	10.0
81.07056	98.8
82.07389	2.4
83.04980	10.2
83.08617	17.3
84.08127	7.1
85.02879	4.9
85.06520	5.0
86.09679	3.1
91.05480	39.4
93.06473	2.7
93.07040	42.7
93.07624	2.4
95.04964	20.2
95.08609	39.7
97.06542	18.2
97.10139	6.2
98.22643	2.5
99.08049	3.7
100.11252	3.6
101.06020	18.4
103.05486	2.6
105.07027	38.4
107.04962	11.8
107.08591	33.7
109.06514	30.8
109.10152	19.4
110.36299	1.4
111.04445	3.4
111.08094	8.7
111.11642	1.4
117.07007	12.1
119.08583	24.6
120.08100	10.5
120.08870	2.1
121.06521	8.9
121.10135	25.8
123.04408	2.1
123.08068	13.9
123.11705	8.7
125.09576	5.2
127.03938	2.0
129.06973	4.1
129.10204	3.3
131.08545	19.4
133.06464	1.6
133.09213	2.3
133.10129	28.9
135.08076	8.1
135.11688	10.3
137.09610	11.2
141.07004	2.8
142.07657	1.8
143.08528	3.2
145.06497	2.0
145.10120	18.9
147.08014	4.1
147.11693	21.9
149.09610	21.0
149.13211	5.8
151.11159	12.6
155.08528	5.1
157.10085	5.2
158.38824	1.5
159.08057	2.0
159.11655	14.8
161.09648	3.3
161.13239	5.6
163.11185	13.3
163.14764	2.3
165.09067	6.2
165.12730	6.3
167.10616	1.6
169.10126	2.6
171.11661	6.6
173.09566	3.1
173.13234	8.7
175.11165	5.4
175.14801	2.0
177.12711	3.9
179.14339	3.2
183.11630	2.6
185.13406	1.5
187.11166	2.3
187.14792	5.2
189.11189	3.1
189.12721	3.2
191.14264	2.6
193.12273	2.1
197.13191	6.2
199.14827	2.3
201.12720	2.6
205.12215	1.6
215.14363	7.9
219.17509	1.5
223.13214	1.5
229.15919	3.9
229.19560	6.9
233.15268	3.2
233.19040	2.3
239.17915	7.4
243.13721	2.2
247.16811	2.2
247.20576	8.9
257.19012	16.6
275.20044	100.0
276.20428	5.6
293.12827	5.9
293.17346	4.7
293.21039	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	6.7
55.01870	12.9
55.05510	27.1
57.03431	4.5
57.07077	2.2
65.03937	3.5
67.05136	2.2
67.05502	45.7
69.07070	22.8
69.38113	12.5
71.04989	6.3
73.48206	1.8
79.05492	49.7
81.03418	9.3
81.07056	69.8
83.04974	8.9
83.08628	13.9
85.06532	2.2
91.05478	37.8
93.07038	36.5
95.04974	17.8
95.08605	29.3
96.08948	2.0
96.48642	2.4
97.06535	18.1
97.10175	7.4
105.07034	33.7
107.04951	11.0
107.08591	46.2
109.06522	19.6
109.10139	14.3
111.08076	4.0
117.07023	10.4
119.08578	27.0
121.06512	7.6
121.10149	17.0
123.08064	8.6
123.11704	7.1
125.09635	12.3
129.06952	3.2
131.08578	15.6
133.10133	26.3
135.08061	5.4
135.11717	9.7
137.09598	8.3
143.08607	4.1
145.06458	3.2
145.10101	18.0
147.08026	2.6
147.11708	17.8
149.09618	19.7
149.13243	4.2
151.11165	13.2
157.10146	4.1
159.11691	9.9
161.13258	7.8
163.11128	10.6
165.09111	7.0
165.12720	2.5
169.10121	4.2
171.11705	5.8
173.13281	6.1
175.11140	2.6
177.12744	4.7
187.11194	3.7
189.11244	4.8
197.13240	3.1
215.17960	2.3
229.19553	4.2
233.19078	1.9
239.17917	6.4
245.13208	1.8
247.20520	11.6
249.48907	2.1
250.58202	2.1
257.18918	10.8
275.20053	100.0
276.20364	4.1
293.21045	30.5
293.24069	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.85010	2.3
53.03944	4.2
55.01867	3.7
55.05501	6.2
57.07070	12.9
64.76492	1.9
67.05503	20.3
69.07066	7.8
69.60323	10.2
71.05003	2.9
79.05494	31.4
81.03416	4.1
81.07058	100.0
82.07372	3.5
83.04994	4.9
83.08613	3.9
91.05471	13.5
93.07036	15.0
95.04964	5.7
95.08607	9.8
97.06541	5.9
97.10155	2.2
105.07038	11.7
107.04959	3.4
107.08597	8.8
109.06516	49.9
109.10149	3.8
111.04432	8.5
117.06994	4.4
119.08578	9.7
121.06419	2.2
121.10129	5.6
121.38758	1.9
123.08065	5.1
131.08539	4.8
133.10127	10.5
135.11714	3.5
137.09639	4.7
145.10147	4.9
147.11665	8.2
147.89301	2.3
149.09657	4.0
149.13216	5.3
151.11185	3.7
153.05490	8.4
159.11685	4.5
163.11214	2.4
163.14850	2.0
165.12819	2.5
177.05534	3.3
177.12836	2.3
181.04961	8.1
181.12218	2.4
191.10660	5.5
193.12297	3.0
195.10135	2.5
209.11745	18.0
211.73830	2.1
219.17424	4.5
237.11203	22.5
238.88840	4.5
247.20750	4.1
275.19965	21.5
293.21176	15.9
294.21567	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	7.9
54.89028	2.6
55.01865	10.3
55.05511	57.6
57.03431	6.3
57.07080	6.3
67.05505	46.2
69.03400	4.3
69.07063	12.4
69.38006	16.2
71.04984	4.1
77.03503	2.5
79.05493	79.2
81.07056	42.3
83.04963	9.5
83.08626	18.0
85.58532	2.5
88.13746	2.4
91.05485	28.8
93.07045	38.4
95.05017	5.5
95.08614	14.0
97.06538	17.7
97.10177	23.5
98.23346	5.0
105.07015	29.4
107.04965	37.8
107.08595	58.9
109.06496	6.5
109.10172	18.1
111.04452	4.4
111.08051	6.1
117.07001	11.0
119.08578	19.9
121.06528	3.5
121.10161	19.7
121.99642	2.7
123.11703	10.6
125.09648	32.1
131.08571	11.9
133.10130	19.3
135.08060	12.0
135.11687	4.5
145.10121	8.4
147.11671	14.7
149.09624	88.6
149.13132	3.4
153.09097	3.4
157.10118	4.2
161.13246	7.6
163.11122	6.5
169.12169	4.6
171.10143	3.1
171.11600	2.8
173.11722	4.4
173.13235	6.9
177.12799	4.0
187.13295	4.3
189.11240	24.8
198.96371	3.0
209.11720	4.4
215.14212	3.3
229.19469	7.7
237.11208	9.6
239.17987	4.7
247.20514	2.7
257.18997	19.7
275.20053	100.0
276.20493	5.8
293.21158	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
53.03950	4.4
54.57280	1.1
55.01872	1.6
55.05510	5.0
56.05347	1.1
57.03427	1.4
57.07071	1.8
58.06600	2.5
65.03934	1.5
67.05506	16.8
69.07071	4.4
71.05006	1.7
71.30637	1.4
77.18800	1.0
79.05492	32.4
81.03419	2.4
81.07056	100.0
83.04984	2.1
83.08629	3.4
84.08157	2.1
85.06529	1.7
91.05479	13.9
93.07048	8.8
95.04986	3.4
95.08615	7.3
97.06551	3.3
97.10192	1.3
99.08143	1.5
105.07033	12.2
107.04942	1.6
107.08619	8.6
109.06518	57.5
109.10163	3.2
111.04472	1.2
115.05447	1.5
117.07027	2.8
119.08570	8.1
120.08128	1.9
121.10137	5.4
123.08072	3.7
123.11701	1.7
125.09647	2.0
129.06995	1.3
131.08588	3.4
133.06442	1.4
133.10132	10.4
135.08034	2.8
135.11720	1.4
144.06210	1.3
145.10158	3.7
147.11690	10.8
149.09622	6.1
149.13300	2.5
151.11191	3.5
152.83902	1.2
157.10133	2.1
159.11684	4.3
163.11217	1.7
165.12772	3.8
167.10686	1.2
171.11728	2.4
175.11201	4.4
177.12682	1.4
193.12251	4.0
201.78770	1.2
205.15900	1.2
208.11604	1.1
215.14268	1.4
223.13174	1.2
229.15965	1.6
233.15424	2.0
238.88864	2.3
247.20616	1.7
257.15234	1.7
257.18988	2.0
275.20056	25.2
276.26755	1.4
293.17914	2.3
293.21072	17.7
293.27866	2.6
294.27924	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.71459	4.4
53.03959	5.1
55.01875	5.0
55.05512	28.3
57.03434	12.6
57.07077	6.4
62.21994	3.7
62.97183	3.5
65.08910	3.9
66.93794	3.5
67.05505	25.8
69.03409	3.7
69.07076	21.0
69.74097	18.4
79.05496	36.5
80.94800	4.8
81.03414	6.0
81.07060	62.8
83.04987	10.8
83.08614	12.0
84.08157	6.8
85.06554	5.7
91.05485	55.3
92.05816	14.5
93.07056	37.7
95.04973	14.1
95.08611	27.5
95.80090	3.7
97.06570	6.4
97.10213	5.9
99.08105	4.4
105.07020	32.3
106.07390	4.3
107.04970	4.3
107.08586	31.0
109.06533	21.2
109.10151	13.5
117.06979	5.6
119.08573	22.3
121.06524	5.2
121.10153	13.2
123.08083	11.0
123.48594	4.1
125.09708	5.2
131.08560	23.1
132.08879	3.8
133.10121	17.2
135.08087	8.3
135.11671	6.6
137.05980	4.3
137.09572	7.1
145.10159	15.1
147.11682	13.4
149.09596	8.1
151.11201	9.5
159.11716	12.5
160.47836	4.1
161.13165	4.9
163.03867	5.5
163.11087	4.7
175.11159	4.0
177.05492	29.6
177.12798	4.6
178.06241	30.9
187.11197	4.6
191.07100	8.0
201.16495	4.9
219.17477	27.2
221.15442	6.4
233.11745	34.2
238.88881	9.6
239.17831	5.9
239.60751	4.0
257.18958	5.6
275.20074	58.7
275.25610	100.0
293.17236	16.5
293.21088	28.2
293.26566	21.3
294.27582	5.4
307.03375	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03954	35.0
55.01881	30.9
55.05522	36.5
57.07076	21.4
66.55618	5.7
67.05518	58.8
69.07078	61.7
76.87581	5.9
79.05498	49.0
81.03423	60.8
81.07070	100.0
83.04977	16.5
83.08636	19.0
91.05492	67.9
93.07042	51.5
95.01307	7.7
95.04971	30.1
95.08618	40.2
97.06515	38.8
97.10167	6.8
105.07048	80.4
107.04953	28.1
107.08594	25.4
109.06508	9.7
109.10169	10.1
111.04469	10.3
117.07041	14.8
119.08607	40.1
121.10175	15.7
123.08122	11.9
125.09671	8.1
126.74172	6.0
131.08575	31.8
133.10147	52.6
135.11696	12.1
139.07578	7.3
141.06985	7.3
145.06464	12.7
145.10129	20.6
147.11674	23.6
149.09613	16.9
151.11247	9.6
153.05504	8.0
157.06454	6.0
159.11719	21.3
163.11200	9.0
177.98538	6.4
179.14417	22.9
181.05017	9.5
191.10748	9.9
209.11763	18.1
230.65262	5.8
237.11253	29.3
257.19186	8.3
270.17957	5.8
275.20071	63.6
293.21078	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	4.5
55.01870	9.5
55.05511	19.6
57.03431	3.0
57.07063	3.6
65.03938	1.8
67.05506	35.5
68.05836	1.1
69.03410	1.5
69.07064	18.6
69.88763	2.2
69.89158	2.3
71.04986	3.8
71.08626	1.4
79.05019	1.3
79.05495	40.8
81.03419	8.7
81.07056	100.0
83.04984	6.4
83.08617	18.8
85.06535	2.7
91.05482	27.9
93.07047	20.0
93.59978	1.0
95.04971	17.7
95.08602	20.3
97.06527	10.3
97.10159	2.5
98.22638	1.0
99.08096	3.1
105.07030	23.4
107.04961	9.6
107.07961	1.4
107.08598	15.8
109.06519	37.7
109.10143	9.8
111.08092	5.1
117.07002	8.4
118.31171	1.0
119.08578	20.5
121.06525	4.6
121.10154	13.1
122.10517	1.2
123.08070	13.0
123.11674	5.1
125.09628	3.6
127.07531	1.3
129.06985	3.7
131.08585	10.2
133.06465	1.4
133.10126	17.9
135.08054	4.5
135.11697	6.2
137.09660	4.9
143.08542	2.3
145.06505	2.1
145.10126	11.6
146.63307	0.9
147.08003	1.8
147.11685	17.2
149.09602	9.6
149.13280	6.6
151.11163	4.9
155.08519	1.8
157.10085	4.1
159.11711	7.9
161.09637	2.5
161.13223	3.2
163.11160	9.5
165.12733	5.6
171.11603	1.4
173.09622	2.8
173.13249	3.5
175.11176	3.8
175.14839	1.2
177.12753	2.5
183.11664	1.5
187.14809	1.7
191.10837	1.3
191.14357	1.2
193.12309	4.0
197.13284	1.4
201.12607	1.5
201.16516	1.3
207.13634	1.3
209.11761	1.3
215.18056	1.1
219.13853	1.2
219.17223	1.1
223.13400	1.6
229.19598	1.5
233.19069	1.2
237.14844	1.2
239.17917	2.5
247.20633	4.4
257.19009	6.3
275.20038	49.3
276.20459	2.3
293.21094	36.8
294.27722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.79927	2.4
53.03931	2.2
55.01871	5.2
55.05516	15.9
57.03414	2.8
57.07081	8.2
62.98244	3.1
67.05502	38.5
69.03432	3.2
69.07069	29.7
71.04994	4.2
71.08639	2.9
79.05490	22.0
81.03421	3.4
81.07059	39.5
83.04980	10.9
83.08620	5.8
86.52586	3.2
91.05481	21.1
93.07042	32.7
95.04949	12.2
95.08604	25.8
97.06545	5.9
97.10179	4.3
105.07030	24.8
107.04952	6.9
107.08601	22.7
109.06528	11.8
109.10167	16.2
111.08045	2.9
114.45774	2.6
117.07016	6.8
119.08571	15.1
121.06515	9.4
121.10144	14.0
122.40073	2.5
123.08076	8.7
131.08554	12.8
133.10129	21.9
135.08073	11.1
135.11659	4.5
137.09644	3.2
145.10136	9.6
147.08032	2.5
147.11690	12.1
149.09549	6.2
149.13298	2.8
151.11197	13.1
157.10065	4.5
159.11700	7.4
161.09598	3.5
163.11189	5.0
165.09128	2.8
165.12706	2.4
171.11728	2.9
173.09560	2.9
173.13229	5.1
177.05461	3.3
178.06219	3.3
181.05040	2.9
183.11690	4.1
191.10747	2.6
191.14381	3.0
201.12767	3.6
207.13712	3.2
209.11823	3.9
219.13846	5.8
237.11118	4.8
239.17822	3.8
247.20493	6.6
257.18958	13.9
275.20041	100.0
276.20340	5.3
293.21100	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05507	31.8
58.24261	8.3
67.01161	8.7
67.05518	59.0
68.07910	8.9
68.70324	9.9
69.04990	79.5
69.07054	24.8
79.05494	48.1
80.94831	13.4
81.07059	100.0
83.04994	13.8
83.08619	22.7
91.05447	27.5
93.07046	33.8
95.04977	23.8
95.08624	27.6
97.06501	13.3
98.23383	21.4
105.07027	33.9
107.04919	11.4
107.08609	31.2
109.06529	33.6
109.10182	15.8
117.07045	16.6
119.08564	27.4
121.10161	24.9
123.08084	18.4
131.08595	14.6
133.10135	30.5
135.11670	14.1
145.10144	16.2
147.11702	34.4
148.89926	11.1
149.09657	25.1
163.11176	17.9
190.92648	10.8
203.21092	9.6
238.88913	57.7
257.19064	11.5
275.20090	76.8
293.20963	50.2
293.27753	35.6
294.14963	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03943	2.6
55.01886	8.3
55.05271	2.5
55.05514	29.0
57.03434	3.6
57.07082	18.0
57.21041	1.2
59.05009	1.6
61.83412	1.4
65.25690	1.2
67.05509	48.7
69.03423	5.4
69.07072	51.7
70.06583	3.5
71.04993	5.8
71.08633	8.9
72.08151	2.1
73.29888	1.5
79.05495	28.9
81.03413	3.3
81.07060	100.0
82.07389	3.7
83.04974	5.2
83.08624	36.5
84.08139	12.4
85.06543	14.9
85.10189	2.7
86.09697	7.5
91.05482	21.1
93.07047	36.9
95.04967	9.9
95.08608	97.0
96.08917	1.9
97.06530	11.3
97.10172	18.9
99.08081	10.0
103.05470	1.6
105.07037	17.1
107.04971	3.9
107.08595	44.8
109.06522	7.4
109.10157	52.2
110.15387	1.5
111.08096	11.4
111.11707	9.0
113.09666	1.8
117.07046	5.0
119.08582	9.6
120.08105	22.1
120.08922	2.1
121.06501	3.7
121.10132	22.1
123.08086	6.0
123.11712	36.7
125.09659	8.9
125.10405	1.5
125.13270	3.5
127.11182	1.3
129.10252	5.4
131.08575	7.2
133.10135	6.5
135.08058	3.5
135.11697	14.8
137.09644	4.7
137.13260	30.1
138.29962	1.4
139.11185	3.1
141.07001	1.7
141.12592	1.3
143.08549	2.6
145.10110	8.5
146.11732	1.8
147.11717	7.7
149.02322	3.1
149.09644	7.0
149.13261	21.0
151.11168	3.8
151.14845	6.2
153.12744	3.8
155.08600	1.6
157.10088	2.1
159.11723	6.1
161.09631	2.7
161.13258	3.2
163.11160	6.3
163.14806	7.0
165.16388	2.7
167.14339	7.8
173.09578	1.8
173.13255	5.2
177.12733	2.5
177.16476	1.4
179.17926	2.3
180.10233	1.6
185.07254	1.5
189.11192	2.5
191.14365	2.1
194.43221	1.7
201.12718	1.7
219.13855	1.5
223.13390	2.1
237.22122	1.7
247.20694	2.3
257.19073	3.6
257.73160	1.4
265.08994	1.4
265.13330	2.6
275.16946	2.5
275.20087	24.8
275.27335	4.0
276.20575	1.8
281.76712	1.7
293.09827	7.2
293.12994	11.6
293.17535	3.3
293.21072	23.5
293.28351	33.7
294.13126	1.9
294.18393	1.6
294.24295	5.1
294.28720	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	294.1448
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
56.05035	1.4
56.96566	0.5
57.69942	0.2
58.27933	0.2
59.72579	0.2
61.12553	0.2
67.05506	0.4
70.06591	1.1
70.69854	0.3
70.70182	0.5
72.08167	0.6
83.06129	0.3
84.04506	21.8
84.08144	27.4
85.08492	0.5
86.09715	2.7
91.05485	0.9
93.07066	2.4
98.97603	0.4
101.07139	2.2
101.10796	1.1
101.18065	0.3
102.05563	1.2
103.05471	8.2
112.07605	0.4
118.06519	0.4
120.08107	100.0
121.08451	2.6
129.10246	6.5
130.05006	32.0
130.08641	3.9
130.10559	0.3
131.04871	1.9
136.07597	0.3
147.07649	35.0
147.11287	3.9
148.06076	0.3
148.07919	0.6
157.38586	0.3
163.03944	0.5
165.10254	2.6
166.08580	0.4
186.04417	0.3
186.09142	0.4
194.98358	0.3
242.08073	0.4
249.12395	0.5
259.10779	0.6
260.09180	0.9
276.13391	0.6
276.16989	0.3
277.11835	4.4
277.15341	1.0
294.14468	6.5
294.18103	3.9
312.07761	0.8
316.71906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1446
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
69.46191	0.9
69.46592	1.7
76.31582	0.4
76.68486	0.4
84.04507	0.8
84.08143	6.1
86.02415	0.6
86.09701	2.9
91.05479	2.9
93.07043	1.1
101.01688	1.1
101.07134	8.4
103.05463	2.9
103.83510	0.4
107.04971	0.9
119.04924	1.4
120.08103	100.0
121.08465	3.1
129.06607	9.0
129.10236	1.3
130.08643	0.5
131.04929	1.8
132.10323	0.4
136.07568	14.6
147.11301	0.9
149.05962	1.2
166.08632	53.2
167.08977	2.0
177.10225	11.0
205.09648	0.8
223.10768	23.0
224.11176	0.8
249.05519	0.5
249.12300	0.8
249.16016	0.7
294.14557	0.7
294.18045	0.9
295.05991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1815
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
54.99959	0.2
55.05511	0.4
56.05037	3.5
56.96569	0.7
58.06583	0.2
59.74307	0.2
60.04522	0.3
67.05516	1.0
69.03447	0.2
69.07062	0.6
69.52856	1.1
69.76643	0.2
70.06602	2.4
72.08161	1.7
77.80154	0.2
82.06568	0.4
83.06106	0.4
84.04515	1.0
84.08147	100.0
85.06551	0.6
85.08473	1.8
86.09706	4.3
87.26888	0.2
88.04008	0.4
91.05482	0.6
93.07043	0.4
95.04983	0.3
97.02885	0.2
98.22588	0.3
98.97562	1.4
101.10786	3.8
102.09195	0.3
103.05484	1.4
107.27547	0.2
110.07154	0.6
112.07604	0.9
116.98653	0.6
119.01925	0.3
120.08109	24.0
121.08460	0.3
129.10245	21.4
130.05023	0.3
130.08644	9.6
130.10667	0.3
132.10197	0.3
134.99774	0.2
136.07587	0.6
145.70937	0.2
147.07617	0.3
147.11288	11.8
158.06656	0.4
163.03896	0.6
166.08585	0.6
175.11801	0.2
177.00945	0.3
186.12653	0.2
192.26880	0.2
202.03612	0.2
213.12151	0.2
219.02020	0.2
230.13918	0.3
231.15033	0.6
234.99727	0.3
259.14423	0.9
260.12741	0.4
270.92001	0.3
276.14304	0.8
276.17130	1.4
277.15451	5.7
278.15625	0.3
288.53775	0.2
294.06033	0.2
294.15179	0.5
294.18115	15.0
295.18372	0.8
312.07681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05037	3.0
56.96567	0.9
58.06600	0.2
60.04551	0.3
60.05645	0.5
61.02910	0.2
64.20727	0.2
67.05515	1.1
69.03439	0.2
69.07063	0.5
69.90472	0.9
70.06593	2.9
72.08157	1.1
74.06054	0.2
80.60937	0.2
82.06593	0.4
83.06117	0.3
84.04508	1.1
84.08145	100.0
85.02897	0.3
85.06554	0.5
85.07957	0.3
85.08472	1.8
86.09706	4.2
88.03986	0.3
88.25829	0.2
90.18245	0.2
90.64057	0.2
91.05482	0.8
93.07069	0.5
95.04963	0.2
97.02929	0.3
98.09735	0.2
98.97580	1.8
101.07177	0.2
101.10780	3.4
102.09187	0.3
103.05472	1.7
105.07072	0.2
107.04990	0.2
110.07156	0.7
110.97543	0.3
112.07617	0.5
112.08724	0.5
115.08679	0.3
116.98621	0.8
120.08107	28.2
121.08433	0.6
128.10748	0.2
129.10240	19.1
130.04993	0.5
130.08641	10.5
131.96190	0.2
132.10237	0.4
134.99690	0.3
136.07550	0.3
147.07648	0.3
147.11287	11.6
163.03920	0.4
166.08643	0.6
177.00923	0.4
177.75220	0.2
186.09100	0.2
216.98773	0.3
219.01968	0.4
230.13843	0.6
231.14891	0.7
234.99739	0.3
258.13382	0.5
259.14456	0.5
260.12839	0.4
276.14224	0.9
276.17126	1.7
277.00977	0.2
277.12234	0.3
277.15411	4.3
278.15891	0.3
294.18115	12.2
295.18362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.2
55.05490	0.6
56.05027	0.3
56.53520	0.2
57.07069	1.6
58.06598	0.3
59.88013	0.3
61.95456	0.2
65.03938	0.3
66.04701	0.4
67.05505	1.2
69.07052	0.3
71.05022	0.3
71.08642	1.2
71.30624	0.3
72.90981	0.2
76.44489	0.2
79.05488	1.9
81.07066	2.0
84.08164	0.4
87.04428	0.2
88.07624	0.3
91.05467	1.2
93.07035	1.0
94.04187	2.9
94.60831	0.2
95.08597	0.6
107.08600	0.4
107.56326	0.2
109.06497	0.6
109.10159	0.4
121.10197	0.4
122.03651	7.3
125.09572	0.3
137.05977	100.0
138.06313	2.0
141.12743	2.9
158.15369	1.1
169.06895	0.2
170.15382	0.4
171.88989	0.2
212.68622	0.2
218.22720	0.2
276.20267	0.3
276.26624	0.7
277.21655	0.4
294.20880	0.6
294.27917	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
54.55024	0.2
55.01882	0.4
55.05498	0.5
56.35801	0.2
57.07069	0.8
58.02951	0.4
58.06589	0.7
66.04689	0.3
66.94724	0.2
67.05513	1.6
69.07056	0.7
69.50463	1.1
70.06562	0.3
71.08633	0.4
79.05499	1.7
81.07049	3.3
81.43371	0.2
83.08611	0.4
84.08153	0.4
88.07598	0.4
91.05485	1.3
93.07040	0.9
94.04198	2.4
95.08612	0.6
104.13227	0.2
104.82678	0.3
107.04962	0.4
107.08599	0.7
109.06519	0.7
109.10140	0.5
121.10126	0.5
122.03636	7.5
123.11700	2.2
129.52557	0.2
135.11659	0.2
137.05977	100.0
138.06302	2.0
141.12772	0.3
145.65587	0.3
152.42957	0.3
155.24039	0.3
158.15408	1.3
170.15408	2.2
214.85747	0.3
238.11508	0.5
259.20325	0.3
276.26773	0.6
277.21619	0.5
294.21130	0.7
294.24854	0.5
294.27936	4.1
294.31186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03948	2.5
55.01867	2.8
55.05509	1.6
56.05037	3.3
57.03432	25.1
59.05002	3.7
61.01160	0.9
61.02919	3.1
67.05500	1.7
69.03426	100.0
69.71210	2.9
69.84718	0.7
70.03770	1.6
71.01347	2.0
71.04993	1.8
71.27364	0.8
72.08157	2.2
73.02934	4.0
73.03281	0.8
75.04484	1.7
79.05493	1.9
81.03416	17.6
81.07053	1.3
83.04993	2.7
84.08157	2.5
85.02902	55.1
86.03284	0.8
86.09698	5.2
87.04464	41.5
91.03947	0.8
91.05487	7.6
93.07070	1.1
95.04986	2.3
97.02888	57.4
99.04443	11.6
101.02387	1.2
103.03938	6.6
104.05327	2.6
107.04951	0.9
109.02892	8.2
111.04440	2.2
113.02383	1.2
115.03925	50.2
117.05503	1.4
119.04931	6.6
120.08102	4.1
121.02871	3.1
121.06488	0.9
121.08416	0.9
123.04444	3.9
125.02353	1.4
127.03903	11.2
129.10315	0.9
133.04958	45.4
134.05322	1.3
135.04442	1.8
136.07567	16.5
137.05960	1.4
139.03905	0.9
143.03400	0.9
145.04948	17.7
147.04443	1.9
151.03902	2.1
157.04993	1.3
161.04500	2.8
163.63803	0.7
164.07416	1.5
165.05434	1.0
169.04947	5.6
177.01837	4.7
187.06099	1.9
195.02879	11.0
195.06586	1.1
199.05952	0.9
205.06918	1.0
211.05939	1.0
229.07123	1.5
241.07124	3.2
259.08118	3.3
277.09076	5.2
295.05994	34.9
296.06302	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03940	3.7
55.01873	6.0
55.05515	6.0
56.82296	1.5
57.03440	20.7
58.99582	2.9
59.05005	5.6
61.02930	2.3
67.05513	10.5
68.05034	1.3
69.03431	100.0
69.07067	4.8
69.31675	1.4
70.06590	1.8
70.65101	3.6
71.01371	3.4
71.04979	4.2
71.08624	2.5
72.08162	1.7
73.02921	6.5
79.05495	5.5
81.03421	17.5
81.07060	11.8
83.04984	6.9
83.08626	4.6
84.08157	6.1
85.01138	19.7
85.02906	56.8
85.06558	2.9
86.09713	2.8
87.04472	40.2
87.82095	1.7
91.05481	6.5
93.07042	7.5
95.04982	3.9
95.08607	6.8
97.02893	52.9
97.06532	2.3
97.10193	1.6
99.04447	14.9
102.03770	20.3
103.03944	9.9
103.05478	3.1
103.49924	1.6
104.90955	1.4
105.07057	5.2
107.04988	2.3
107.08595	7.9
109.02910	5.0
109.06570	2.9
109.10171	3.3
111.04454	4.7
111.08083	4.1
113.02412	2.6
115.03928	47.8
117.05522	2.8
119.04962	1.7
119.08580	3.3
120.08115	27.1
121.06541	1.8
121.10143	3.2
123.04436	5.4
123.08104	2.1
123.11673	1.7
125.02386	2.1
125.09602	2.5
127.03911	13.3
129.07036	2.5
131.75494	1.6
133.04967	47.5
133.10091	3.5
136.07562	3.0
145.04968	23.5
145.10144	2.1
146.09663	3.8
147.11732	2.3
149.13242	2.6
151.03928	2.8
151.11324	2.7
159.11716	1.4
161.04504	3.3
161.13280	2.1
165.01836	1.6
165.12726	1.6
166.08681	11.5
169.04985	7.4
181.05066	2.2
187.06076	2.5
192.10181	5.5
199.05940	2.0
206.06415	4.5
229.07054	2.1
241.07101	4.7
249.10674	2.7
259.08252	3.3
277.09198	4.8
277.21664	5.4
295.06174	2.3
295.10797	7.2
295.15070	4.2
295.22845	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.31762	0.2
56.05030	0.3
56.96563	0.4
69.07059	0.4
69.59487	0.2
70.06612	0.2
70.09854	0.8
72.08141	0.3
77.03897	0.2
77.98565	0.2
84.04037	0.4
84.04504	4.0
84.04964	0.3
84.08144	1.8
85.02910	0.2
85.08504	0.4
86.09708	3.5
91.05458	1.0
93.07056	2.1
98.23321	0.3
102.05548	2.2
103.05470	6.7
104.05818	0.3
104.29794	0.2
120.08108	100.0
121.08453	3.1
123.14275	0.2
129.10236	0.6
130.05014	2.1
131.04939	0.3
136.07588	0.6
139.98640	0.2
147.04427	0.4
148.06047	7.2
157.10899	0.3
163.03917	0.4
182.08145	0.2
183.11743	0.2
197.12669	0.2
249.12424	0.4
260.09335	0.3
277.11880	0.6
295.12881	4.0
295.18121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
54.48301	0.7
56.05035	1.3
69.03448	1.2
69.07093	1.1
70.06583	0.7
70.23370	2.4
76.98968	0.7
84.04508	32.8
84.08175	1.5
85.02901	4.7
86.09734	1.8
87.08098	1.1
91.05481	2.2
93.07058	1.6
102.68453	0.8
103.05457	8.2
107.04990	2.4
120.08109	100.0
121.08478	2.5
127.03946	1.0
130.05014	5.3
131.04947	5.8
136.07556	6.6
145.05017	0.8
149.05994	2.0
150.07758	9.3
166.08644	34.3
186.09152	7.0
232.09686	4.6
274.46356	0.8
278.10349	4.1
295.13049	2.1
295.16971	2.4
296.18439	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	295.1652
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
54.97144	0.2
65.03933	0.5
70.28433	0.6
70.67071	0.2
74.02425	0.5
74.92722	0.2
86.09210	0.4
86.09702	4.6
88.32770	0.3
91.05478	24.7
92.05804	0.4
101.60909	0.2
104.70128	0.2
107.04936	1.1
108.08158	0.4
109.06477	0.3
115.25455	0.3
118.06528	1.1
119.04938	16.3
120.05258	0.4
120.08040	0.4
121.06519	2.1
130.08612	0.9
132.10219	2.0
136.07570	100.0
137.07961	1.9
145.16748	0.2
147.04449	0.7
211.94827	0.2
214.12236	0.3
216.38878	0.3
227.63661	0.3
249.15944	0.9
250.14418	0.9
278.13879	0.7
295.16507	3.4
301.84158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.33028	2.1
55.01876	8.8
55.05509	11.1
57.07076	1.9
58.63026	1.8
60.78385	1.7
67.05502	14.3
69.07063	8.7
69.50732	6.4
69.51134	4.9
71.08629	2.6
79.05486	11.7
81.07053	43.0
83.04976	4.0
83.08614	4.6
85.68452	1.8
86.41509	2.2
91.05483	7.2
93.07032	10.7
95.04975	4.4
95.08591	11.5
97.06542	3.2
105.07044	7.5
107.08607	6.4
109.06510	18.1
109.10163	6.5
111.04440	13.1
111.08083	4.9
119.08584	6.8
119.28770	2.0
121.10122	8.0
123.08070	3.3
123.11777	2.7
125.05985	4.6
129.06956	2.5
131.08580	3.9
133.10104	6.4
135.11697	5.3
137.05974	100.0
138.06322	4.6
143.08591	2.5
145.10164	3.4
147.11682	6.3
149.09613	2.7
149.13210	2.4
151.07527	3.4
157.10101	2.8
159.08148	2.3
159.11809	2.1
161.09610	5.3
161.13254	3.1
163.11209	3.0
165.09138	1.9
165.12691	2.6
170.94145	1.9
171.11665	2.1
173.13277	2.7
175.11153	3.0
181.12289	2.0
203.17961	5.3
209.09587	2.5
211.11247	2.2
213.16473	3.0
221.18910	2.1
223.11049	2.1
223.14714	2.0
231.17474	8.1
237.12773	2.8
241.15825	2.8
249.18469	12.7
259.20471	1.9
277.17990	33.5
277.21548	7.1
295.16962	8.3
295.22739	5.6
295.28152	9.2
296.25644	29.1
299.25162	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	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03958	1.6
53.88174	1.5
55.01871	6.1
55.05510	4.4
57.07067	2.7
67.05522	8.2
69.07066	4.4
69.52420	5.9
69.52842	2.6
71.08643	2.1
79.05507	5.8
81.07062	29.2
83.04990	1.9
83.08637	1.9
85.14721	1.9
91.05466	3.3
93.07043	4.5
95.08616	8.0
97.06564	2.0
105.07018	3.6
107.08607	4.3
108.75930	1.6
109.06519	12.8
109.10165	1.8
111.04465	11.1
111.08124	1.7
117.61320	1.9
119.08562	4.3
121.10162	4.2
123.08048	2.0
125.06031	3.3
133.06514	2.8
133.10165	2.4
135.08055	2.6
135.11668	3.2
137.05984	100.0
147.11676	3.9
149.09656	2.5
151.07568	3.5
161.09584	3.9
161.13293	2.3
163.11270	2.2
165.09061	2.3
175.11227	4.6
183.76062	2.1
203.17982	3.7
213.30466	1.7
221.19098	2.7
231.17438	8.0
249.18552	9.0
277.18039	30.3
277.21164	3.1
295.19031	2.6
296.29514	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03953	3.4
55.01880	100.0
55.05513	25.7
55.67443	2.6
57.03435	2.6
57.07082	7.9
67.05511	36.9
69.07076	35.7
71.05006	3.9
71.08639	3.0
79.05511	24.8
81.07069	49.0
83.04989	10.8
83.08631	21.2
85.06556	4.3
85.37394	2.0
91.05492	26.9
93.07066	28.9
95.04980	3.5
95.08608	27.8
97.06544	97.3
97.10187	4.7
98.06805	2.5
99.08112	2.7
105.07035	25.1
107.08598	20.8
109.06542	5.2
109.10184	10.5
111.08108	11.1
114.06382	2.3
117.06979	2.7
119.08623	15.6
121.10162	20.0
123.08125	3.9
123.11708	8.3
125.09660	8.9
131.08615	3.7
133.10136	11.0
135.11702	14.0
137.09669	3.4
138.12569	2.1
139.11212	3.1
141.09064	2.9
141.12651	3.7
145.10152	4.5
147.11700	31.7
149.09599	3.1
149.13316	10.2
151.11215	10.0
153.12794	4.4
157.10210	3.9
159.11687	3.5
161.13304	9.4
163.11171	10.9
163.14867	4.8
165.12781	18.9
167.14349	2.5
171.11681	4.5
173.13275	3.9
189.12825	3.4
207.13974	3.6
231.21138	2.6
241.19565	4.4
249.22212	9.0
259.20532	15.1
261.22336	3.0
277.21671	70.8
279.23166	6.9
295.22830	22.2
295.31274	3.5
296.29507	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	295.2268
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02373	1.3
53.03937	4.8
55.01873	48.6
55.05511	52.9
57.03429	5.0
57.07077	11.1
58.90104	0.9
64.84546	1.0
65.03935	2.4
67.05504	84.0
69.03424	6.1
69.07071	36.7
69.45798	2.5
69.46205	5.2
71.04997	7.3
71.08630	34.1
73.02922	1.2
79.05493	52.2
81.03419	17.7
81.07056	72.7
82.07394	2.0
83.04981	21.2
83.08141	2.4
83.08616	36.9
84.08154	2.0
85.06548	6.5
85.10188	7.0
91.05479	41.6
93.07043	57.4
95.04967	20.2
95.08607	49.0
96.95211	1.1
97.06527	22.7
97.10169	16.1
99.04455	1.3
99.08088	27.7
105.04511	2.2
105.07030	35.8
107.04953	4.0
107.08592	34.4
109.06523	9.2
109.10152	23.8
111.08081	51.5
111.11710	1.5
112.08423	1.6
113.05993	1.5
113.09637	10.4
117.07034	9.0
119.08573	25.6
120.08098	2.2
121.06524	2.8
121.08354	1.4
121.10133	23.0
123.08070	8.9
123.11705	7.8
125.09617	14.1
127.11145	1.4
129.06981	6.6
129.09105	1.5
131.08551	9.7
133.06485	2.2
133.10130	24.4
134.07265	1.7
135.08061	7.0
135.11699	18.5
136.07576	1.8
137.09619	8.8
137.13295	1.7
139.07544	1.1
139.11172	7.3
143.08585	4.5
143.10574	1.2
145.10138	8.2
147.08063	1.4
147.11685	25.6
149.09633	9.3
149.13246	16.2
151.07620	1.8
151.11179	29.5
153.09053	1.6
153.12819	2.4
155.10805	1.2
155.12556	1.1
157.10081	5.8
159.11665	5.3
161.09711	1.3
161.13240	15.1
163.11195	13.0
163.14803	4.0
165.03690	1.5
165.12759	20.4
167.14328	1.9
171.11671	5.2
173.11894	1.2
173.13277	4.1
175.11208	4.2
175.14853	6.2
177.12695	3.4
179.14301	13.2
181.12231	2.9
185.13226	6.3
189.11200	5.9
189.12724	3.4
189.16373	1.1
193.12260	2.5
193.15872	2.7
199.14856	2.3
203.14304	2.5
207.13759	3.1
217.19547	1.3
221.15341	5.3
231.21031	4.8
235.16914	3.6
241.19579	8.8
249.22192	7.1
259.20593	16.4
260.93930	1.0
277.21625	100.0
278.21945	3.4
295.22665	48.3
296.23022	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	295.2272
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	4.7
55.01881	5.5
55.05271	1.8
55.05518	20.3
57.03433	2.9
57.07084	11.6
65.03930	1.3
67.05511	31.6
69.03425	1.6
69.07076	18.9
71.05000	2.8
71.08631	4.3
71.29437	1.7
79.05503	21.0
81.03424	24.0
81.07065	29.5
83.04991	10.6
83.08627	7.6
85.06561	2.0
85.10197	15.5
85.44038	1.1
87.54100	1.0
91.05489	13.0
93.07050	18.7
95.04980	19.2
95.08614	15.4
97.06545	4.5
97.10172	6.5
99.08084	2.1
105.07037	11.4
106.07279	1.0
107.04961	2.9
107.08608	11.9
109.06540	6.2
109.10163	10.4
111.08083	3.2
113.09654	15.6
117.07013	2.1
119.08614	5.7
119.47764	1.0
121.10163	6.4
123.08089	2.2
123.11732	3.0
124.19000	1.0
125.09640	3.7
131.08562	2.9
133.06506	3.0
133.10172	5.4
135.08092	2.5
135.09138	0.9
135.11723	3.1
136.12038	1.2
137.09616	1.6
143.08621	1.2
145.10110	1.8
147.11694	4.8
147.12868	0.9
149.09630	3.2
149.13263	4.1
151.11182	8.2
152.77180	0.9
153.12772	1.6
161.13300	3.0
163.11224	1.6
165.12772	26.9
165.14105	2.1
167.14336	1.7
171.11899	2.8
175.11253	1.3
179.14293	2.7
207.13817	2.8
231.21114	1.2
241.19504	1.3
249.22252	1.5
259.20602	2.3
274.51624	1.0
277.21643	52.4
278.22037	4.9
295.22699	100.0
296.23047	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	8.1
55.01872	71.6
55.05511	63.6
57.03439	8.3
57.07071	10.3
59.05006	3.0
65.03956	2.7
67.05502	83.2
69.03430	19.0
69.07069	57.1
69.07446	1.8
69.42597	16.1
71.04987	12.7
71.08627	24.7
77.30591	2.8
77.96729	2.7
79.05492	56.3
81.03416	18.3
81.07056	100.0
83.04967	21.2
83.08617	41.4
84.08134	5.3
85.02930	5.7
85.06536	8.6
85.08501	2.7
85.10196	12.7
87.04435	4.5
91.05481	51.3
93.07043	63.2
95.04973	22.7
95.08604	53.3
95.09161	4.6
97.02891	7.3
97.06526	30.6
97.10174	13.8
98.23380	5.5
99.04513	3.0
99.08077	23.5
105.07036	35.2
107.04948	9.2
107.08593	35.0
109.06536	13.4
109.10149	21.8
111.08076	76.7
111.11733	6.7
113.09644	15.8
115.03960	3.9
117.07022	8.5
119.08593	30.3
120.08128	5.6
121.10133	27.6
123.08084	8.9
123.11696	11.5
125.09634	12.6
129.07039	7.9
131.08609	13.5
133.04967	4.0
133.10135	36.6
135.08049	4.6
135.11684	18.3
136.07590	4.0
137.09676	4.7
137.13211	3.5
139.11162	16.3
143.08546	6.0
145.04959	4.1
145.10132	10.0
147.08067	3.0
147.11703	32.0
149.02339	20.8
149.09621	11.3
149.13269	14.3
151.11172	27.6
153.12712	3.6
157.10172	8.5
159.11620	4.5
161.09607	4.1
161.13278	19.8
163.11171	14.1
163.14845	4.2
165.12750	40.8
171.11693	8.1
175.11127	5.6
175.14738	6.1
179.14291	14.3
185.13248	6.7
189.11198	2.9
189.12769	3.4
189.49713	2.8
193.12262	4.4
199.14758	3.0
207.13852	4.0
221.15495	3.7
235.16893	2.8
241.19507	8.1
247.01071	3.6
249.22139	3.8
259.20520	13.9
277.21631	95.6
278.22006	7.3
295.06027	3.2
295.11121	3.7
295.14661	6.2
295.22720	60.6
296.22574	2.9
309.23401	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	6.8
55.01876	93.6
55.05515	52.4
57.03440	2.3
57.07069	9.1
58.18865	2.2
67.05504	45.8
69.03445	4.7
69.07069	20.2
71.04977	3.4
71.08635	13.3
77.14806	2.2
79.05497	26.7
81.03416	8.8
81.07063	44.7
83.04995	15.1
83.08617	27.8
85.10188	10.9
91.05484	33.3
93.07040	32.9
95.04969	16.3
95.08607	32.1
97.06540	24.7
97.10181	5.1
98.23347	6.8
99.08099	9.1
105.07040	26.0
107.04980	3.0
107.08616	18.8
109.06484	5.2
109.10168	12.1
111.08081	100.0
112.31908	2.4
113.09631	15.2
117.07043	5.1
119.08579	14.4
121.10154	14.8
123.08043	2.9
123.11726	3.9
125.09634	4.3
129.07022	5.1
130.62415	2.4
131.08548	8.1
133.10130	27.8
134.04932	2.3
135.11711	10.8
139.11160	9.1
143.08624	2.7
145.10152	4.7
147.11662	19.3
149.09685	12.0
149.13266	11.5
151.11180	24.7
157.10172	3.5
159.11743	2.8
161.13272	9.9
163.11186	6.7
165.12782	24.8
171.11711	2.6
175.14796	5.6
177.12880	3.3
179.14268	13.4
185.13248	4.5
188.25151	2.5
189.12698	3.1
221.15338	2.8
228.65703	2.6
229.92386	2.7
241.19518	7.7
242.85593	2.3
249.22098	4.8
259.20590	16.7
277.21631	88.5
278.21945	5.3
295.22696	52.3
295.41046	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.79491	1.9
53.03957	5.1
55.01874	7.4
55.05523	18.2
57.07081	12.3
58.54039	2.0
58.99609	2.6
66.04779	2.1
67.05513	35.9
68.30760	2.2
69.07079	22.7
69.30628	9.1
71.04974	2.9
71.08643	22.5
79.05502	45.2
81.03420	5.3
81.07070	33.9
81.67181	2.1
83.04992	6.6
83.08634	9.5
85.06600	2.8
86.50942	2.0
87.02702	6.8
89.08643	2.4
91.05486	22.9
93.07041	38.2
95.04974	7.3
95.08615	24.7
97.06551	6.6
97.10194	3.7
99.08099	16.8
103.05495	12.1
105.07039	82.9
106.07831	9.7
107.08592	25.4
109.10165	9.0
111.08135	3.6
119.08620	7.6
121.09281	3.4
121.10130	20.4
124.79040	2.3
127.11216	2.8
132.48827	2.4
132.84947	3.1
133.06497	44.7
133.10156	7.7
134.07317	23.6
135.08067	100.0
135.11708	23.4
136.08368	3.4
137.04216	5.1
137.09633	2.5
143.08849	3.7
147.11755	3.5
149.13266	5.5
149.15271	2.4
151.07562	21.9
151.11232	6.4
161.13286	5.3
163.11235	5.1
165.03732	45.4
167.05307	14.4
173.13214	2.6
175.14963	2.3
179.05255	11.0
179.14333	39.4
189.12852	3.7
204.74065	2.3
233.22684	9.2
259.20645	3.9
277.16348	22.4
277.21579	16.9
279.23276	3.8
295.17096	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.87467	3.0
53.03949	30.2
55.01878	14.0
55.05511	50.0
57.03432	3.8
57.07077	25.6
66.07901	3.4
67.05507	81.9
69.07074	77.1
69.07360	2.0
71.04987	5.8
71.08638	13.6
79.05498	62.3
81.03420	95.5
81.07056	79.6
82.07393	3.4
83.04964	26.6
83.08624	14.6
85.06570	4.4
85.10180	5.0
88.77018	3.5
89.07852	3.4
91.05486	49.7
93.07049	62.2
95.04971	62.3
95.08609	37.3
95.49875	3.3
97.06554	6.4
97.10152	7.3
99.08100	8.5
103.05440	4.8
105.07034	74.4
106.07836	5.4
107.04918	3.3
107.08601	42.3
109.06529	9.4
109.10152	28.3
111.08090	8.9
113.09619	3.2
117.07005	3.5
119.08596	23.4
121.10111	15.5
123.11715	14.7
125.09664	8.0
129.07016	6.5
131.08606	6.5
133.06483	32.0
133.10138	24.8
134.07324	16.6
135.08051	68.8
135.11729	13.0
137.13243	5.5
143.08582	4.2
147.11699	20.3
149.13298	10.4
151.07542	10.7
151.11185	74.5
153.09126	9.7
161.09546	3.3
161.13300	17.5
163.14827	7.0
165.03690	23.3
165.12759	18.3
167.05322	5.2
171.10255	3.8
171.11691	7.5
175.14876	6.6
179.05241	9.6
179.14323	6.1
185.13284	5.3
189.12756	3.6
190.37862	3.2
199.14798	5.7
207.13849	3.9
217.19368	3.3
221.15308	3.9
229.31503	4.7
231.21140	15.0
241.19585	10.2
249.22278	9.6
259.20584	10.7
277.16251	12.2
277.21655	100.0
278.21786	4.6
283.95770	3.4
295.17209	6.7
295.23126	5.9
295.31561	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03949	20.8
55.01876	18.1
55.05513	44.8
57.07080	30.2
67.05508	70.1
69.07072	67.9
71.04989	7.1
71.08646	13.7
71.30438	6.1
79.05486	67.0
81.03415	71.8
81.07055	84.2
83.04977	32.7
83.08134	5.7
83.08611	27.1
85.10188	7.6
88.00192	6.3
91.05500	37.6
93.07036	64.6
95.04956	49.1
95.08595	50.3
97.06552	9.8
97.10178	19.6
103.05502	7.3
105.07030	66.0
107.08599	42.1
109.05244	5.3
109.06544	15.8
109.10168	18.6
111.08091	5.9
117.06998	11.5
118.55330	5.3
119.08593	19.1
121.10160	27.7
123.11739	14.8
125.09637	14.2
130.19188	4.9
133.06459	27.2
133.10123	26.3
134.07291	11.2
134.52615	5.7
135.08049	63.7
135.11700	21.9
137.06000	7.3
143.08569	9.3
145.10150	9.1
147.11731	17.1
149.13248	17.4
150.77718	5.5
151.07578	12.3
151.11177	45.0
153.09155	7.3
157.10139	7.3
161.13286	25.5
163.14862	6.3
165.03709	15.1
165.12814	8.8
168.84521	5.7
171.11670	9.4
185.13412	7.7
189.09090	14.1
207.13690	5.1
231.21017	8.4
233.22623	6.8
236.08838	5.4
241.19482	9.7
249.22180	6.1
249.79842	5.5
253.21785	8.9
277.16406	7.5
277.21628	100.0
283.69946	5.9
295.17252	9.9
295.22864	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	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03954	5.1
55.01874	15.7
55.05514	87.7
57.03449	3.4
67.05505	46.4
69.07064	24.2
69.61282	3.0
69.61695	8.3
69.71431	2.4
71.04992	3.5
79.05496	25.0
81.03417	13.0
81.07060	51.3
83.04953	10.5
83.08621	100.0
85.06524	4.1
91.05485	39.0
93.07050	28.1
95.04969	8.8
95.08607	22.6
97.06519	13.1
97.10165	3.4
99.08141	3.0
105.07033	34.1
107.08594	19.6
109.06528	11.4
109.10162	11.4
111.08083	27.9
117.07037	3.7
119.08591	19.1
121.10176	13.9
123.11702	2.8
129.07016	9.9
129.09140	2.3
131.08559	7.2
133.10123	35.1
135.11678	9.1
139.11182	15.1
145.10123	7.4
147.11681	21.8
149.09602	7.4
149.13254	24.7
151.11168	10.1
157.10126	11.5
159.11719	4.8
161.13269	4.0
163.11075	2.7
165.12752	13.8
167.14278	5.7
171.11737	2.8
173.13290	4.8
175.11212	8.7
175.14865	2.8
177.12711	3.2
179.14296	4.1
185.13141	2.5
193.12141	3.2
241.19521	5.6
259.20581	9.9
277.21680	30.5
295.22839	3.4
296.29483	9.3
299.25244	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03956	8.3
55.01878	46.9
55.05516	72.9
57.03439	10.5
57.07076	10.8
64.00854	2.8
64.27924	2.1
65.03953	3.6
67.05510	100.0
67.47979	2.4
69.03436	8.4
69.07078	44.6
69.33014	16.0
71.01353	2.6
71.04996	10.7
71.08642	14.4
79.05498	56.6
81.03427	10.1
81.07061	96.1
83.04996	23.1
83.08625	40.7
85.06548	7.7
85.10195	5.8
90.92278	2.2
91.05486	49.2
93.07050	69.2
94.92358	2.6
95.04959	20.7
95.08613	54.7
97.06524	23.5
97.10176	16.0
98.23348	4.9
99.08093	15.9
105.07040	39.9
105.07687	3.9
107.04960	4.6
107.08605	34.9
109.06509	13.2
109.10158	27.2
111.08089	55.6
111.08859	3.3
113.09639	5.2
117.07029	6.6
119.08572	30.1
121.06489	3.2
121.10143	20.9
123.08066	8.5
123.11739	11.3
125.09657	10.3
129.07013	7.3
131.08569	9.3
132.34810	2.4
133.06563	6.0
133.10138	27.1
135.08041	3.9
135.11716	14.9
137.09616	5.7
139.11177	10.0
143.08612	4.4
145.10118	4.8
147.11699	18.8
149.09621	9.7
149.13261	15.2
151.11194	18.6
153.12798	6.5
155.10716	3.8
157.10156	3.3
161.09555	3.9
161.13272	15.5
163.11198	5.6
163.14839	5.5
165.12811	18.5
171.11694	5.4
175.11220	5.7
175.14780	5.0
179.14284	8.2
185.13263	5.2
189.12782	2.8
193.12251	3.5
207.13860	3.4
221.15520	2.9
231.21117	5.9
241.19551	4.9
249.22194	4.3
259.20648	8.9
277.21643	72.9
278.22150	3.7
295.22678	49.3
296.22952	3.2
296.29462	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03935	4.0
55.01881	1.5
55.05272	1.5
55.05511	16.5
56.05019	5.5
57.03166	1.4
57.03436	24.3
57.07063	4.2
65.03934	2.9
67.05505	66.7
69.06730	1.8
69.07068	24.8
70.06585	2.0
70.71746	2.3
71.04989	3.9
71.08613	2.5
72.04517	9.1
73.06535	1.6
73.16431	1.2
79.05492	48.8
81.03444	2.8
81.07056	100.0
82.07367	2.2
83.04971	5.7
83.08232	1.2
83.08631	16.2
84.04495	9.4
84.08137	1.6
85.06535	5.4
91.05479	25.2
91.24150	1.2
93.07043	69.9
95.04967	5.4
95.08604	21.5
97.06525	12.0
97.10135	2.9
98.23335	1.4
99.08091	3.3
102.05548	19.3
105.04470	1.8
105.07027	10.0
107.08591	43.5
109.06499	1.9
109.10143	4.4
111.08071	6.3
117.07013	12.1
119.08577	3.5
120.08059	3.0
121.06518	3.3
121.10128	16.5
123.11711	19.3
125.09621	1.7
131.08585	11.0
133.10118	23.0
135.08017	2.5
135.11696	11.7
136.06175	1.3
145.10114	1.8
147.11684	2.0
149.13252	43.7
151.11179	2.8
157.10107	1.6
158.09573	1.3
159.11707	20.4
167.14301	1.8
169.10074	2.1
177.12737	10.5
186.12718	2.7
194.15387	2.2
195.13803	41.3
196.14146	1.4
204.13820	5.4
213.14830	4.2
222.14862	4.5
240.15959	12.9
296.11462	2.1
296.18536	63.8
296.25748	3.1
296.60971	1.4
297.16449	8.0
297.22003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2221
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
53.03945	0.5
55.01865	0.4
55.05497	0.8
56.05039	2.0
57.03444	1.7
57.05808	0.3
58.06606	3.9
67.05503	2.0
69.07061	0.8
69.80295	0.6
69.80685	0.7
70.06590	2.1
71.04980	1.1
71.07385	2.7
72.08160	1.4
79.05494	5.4
81.07050	2.9
82.06570	0.5
83.04969	0.7
83.08631	0.4
84.08145	9.7
84.44284	0.3
87.04458	0.3
88.07622	0.6
91.04966	0.4
91.05481	3.9
93.07038	5.6
95.04964	0.7
95.08618	1.7
96.08134	2.1
97.06512	0.5
97.08900	0.6
98.09686	0.7
105.07036	3.1
107.04973	0.4
107.08604	1.6
108.08092	0.6
109.06496	0.4
109.10192	0.3
110.09692	2.0
111.10466	0.5
112.11239	6.1
113.35353	0.3
117.07032	0.7
119.08571	2.0
121.06516	0.4
121.10130	0.3
122.09586	0.4
124.11262	0.7
128.10684	1.5
129.06993	0.8
131.08551	1.3
133.06436	0.3
133.10152	1.2
135.08035	0.5
143.08455	0.3
145.10110	0.6
147.11612	0.7
157.10161	0.5
191.09050	0.3
225.74699	0.3
234.22292	0.6
260.20251	0.7
264.36969	0.3
278.21155	22.5
279.21469	1.2
296.22202	100.0
297.22549	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	296.2568
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
55.05511	3.0
55.95140	1.0
58.02956	1.0
67.05518	4.5
68.66857	1.0
69.07075	1.5
70.98562	1.7
71.08616	1.2
79.05509	4.1
80.05039	1.5
80.94872	1.3
81.03455	1.2
81.07063	4.2
82.06595	4.3
83.07055	0.9
83.08623	1.1
91.05497	4.6
93.07073	5.5
95.04956	1.7
95.08615	2.1
105.07039	2.8
107.08624	2.4
110.06007	0.9
113.48405	0.9
119.21824	1.0
121.10132	1.4
131.08617	1.4
133.10152	1.2
171.56459	1.1
238.54932	0.9
244.85902	1.0
248.23729	3.0
278.22003	1.1
278.24814	20.4
296.25641	100.0
297.25873	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	296.2584
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03926	6.0
55.01873	7.0
55.05510	25.8
56.05024	8.9
56.63982	3.8
57.03413	9.2
57.07081	8.8
60.04526	76.7
67.05506	69.6
68.05023	10.6
69.07065	28.9
70.06570	10.1
71.08626	6.4
71.29735	6.8
72.08145	10.8
75.25591	4.2
79.05487	42.1
79.05917	6.1
80.05008	13.9
81.07057	50.9
82.06591	6.9
82.07377	6.7
83.04979	7.2
83.08610	17.7
86.06065	10.6
86.09657	4.2
91.05494	27.1
93.07034	38.0
94.06555	19.8
95.08600	42.6
96.08131	29.8
97.06588	7.5
97.10187	6.3
98.06032	6.0
98.65335	4.0
100.07604	4.5
105.07034	19.6
106.96620	4.3
107.08604	21.5
109.10124	14.3
110.06023	24.1
111.06850	6.9
114.09153	75.2
117.06987	9.6
119.08582	12.8
120.08118	7.4
121.10118	15.5
123.08012	5.1
131.08565	9.1
133.10115	9.8
135.11613	5.4
145.10123	10.5
147.02660	4.5
149.13272	12.5
159.11674	6.3
217.56775	4.4
248.23808	8.3
260.23798	11.1
261.21906	5.5
278.21841	10.7
278.24789	100.0
296.11676	5.6
296.25870	69.5
297.18512	10.9
297.26208	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	296.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18747	0.3
55.05280	0.5
55.05519	5.8
56.05029	1.8
56.71416	0.3
57.03457	1.7
57.07075	0.6
58.06608	4.6
67.05239	0.3
67.05512	3.6
69.06736	0.4
69.07079	3.8
69.76807	0.8
69.77166	0.7
70.06595	2.2
71.07387	0.4
72.08168	1.9
79.05495	1.0
80.94863	0.7
81.07071	4.8
82.06603	0.4
83.08626	2.5
84.08157	9.8
85.06551	0.6
91.05491	1.5
93.07072	0.6
95.08613	4.3
96.08120	0.8
96.56320	0.3
97.10169	1.2
98.09689	1.2
105.07034	0.4
109.10168	1.6
110.09691	0.6
112.11263	1.2
133.06445	0.4
155.66464	0.3
226.97586	0.3
241.74335	0.3
250.24832	0.3
277.13992	0.3
278.28458	27.8
279.28714	1.2
296.25687	13.5
296.29468	100.0
297.26312	0.7
297.29840	4.6
305.12933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1268
Annotation	H-Met-Phe-OH
Peak:m/z	Relative Intensity
55.01864	0.9
55.05508	0.7
56.05037	70.7
57.03445	0.5
61.01151	49.0
67.05506	0.7
69.03418	1.6
69.07039	1.0
69.45319	3.9
70.06594	2.0
72.08153	9.2
74.06077	4.1
81.03419	1.2
84.04526	1.3
84.08138	1.0
85.02924	1.3
85.25375	0.5
86.09713	3.4
91.05483	3.2
93.07071	0.7
96.08130	1.2
97.02908	1.0
100.39479	0.5
100.44469	0.6
103.05475	2.0
104.05328	100.0
105.05665	1.3
114.09180	1.4
115.09531	0.8
120.08104	31.2
121.08444	1.1
129.10248	0.7
130.06522	0.7
131.04945	0.6
136.06223	1.9
136.07579	2.0
137.02367	0.6
166.08640	13.4
175.08652	1.7
179.03435	1.2
181.06686	0.6
186.09033	0.8
189.05521	0.6
195.08119	0.8
203.11745	1.3
205.06529	2.5
206.10056	0.9
207.08043	1.3
223.07591	1.9
232.09698	2.1
233.05968	1.4
235.07458	1.0
249.12346	4.7
251.06992	1.8
251.12137	1.4
253.08398	0.7
261.05609	0.6
269.08078	1.5
279.06549	3.3
280.09888	0.8
297.04156	1.0
297.07523	8.0
297.12738	2.4
297.18661	0.6
298.07996	1.2
298.20071	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	297.1269
Annotation	H-Phe-Met-OH
Peak:m/z	Relative Intensity
53.03944	0.2
55.01864	0.2
55.05493	0.1
56.05032	1.4
56.96560	0.3
61.01146	1.0
62.37435	0.2
67.05497	0.2
69.03414	0.3
70.06583	0.7
71.28952	0.3
72.08157	0.6
72.34387	0.1
74.06084	0.2
77.03883	0.2
84.04498	0.6
84.08138	0.6
85.02910	0.2
86.09695	1.0
91.05463	1.3
92.05814	0.2
93.07047	2.6
95.04971	0.3
97.02861	0.2
98.97578	0.4
102.05549	0.5
103.05471	7.3
104.05328	3.0
105.07033	0.2
105.92963	0.2
109.02852	0.2
110.07197	0.3
114.09182	0.2
116.98669	0.2
119.07352	0.2
120.08107	100.0
121.07655	0.3
121.08444	2.7
123.04419	0.3
129.10197	0.2
130.05020	0.4
131.04909	0.2
133.03188	2.2
136.05261	0.1
136.06190	3.1
136.07588	0.5
137.02347	0.6
137.07901	0.5
138.08194	0.3
150.05840	6.2
152.06133	0.2
154.70786	0.1
158.09647	0.7
164.09334	1.0
165.09737	1.2
177.06999	0.5
178.07590	0.2
181.06522	0.3
187.03911	0.4
189.07018	0.2
195.08147	0.2
203.11812	1.8
205.06487	1.3
207.08098	0.6
223.07524	1.3
233.06000	1.0
233.62743	0.1
234.06590	0.2
235.07448	0.4
237.05377	0.2
249.12354	0.6
251.07043	1.8
251.12190	0.8
253.08667	0.2
255.01794	0.5
255.06439	0.9
261.05493	0.4
269.08066	0.8
273.02725	0.8
279.03586	0.1
279.06482	3.0
280.07074	0.3
280.19083	0.4
297.07584	2.9
297.12610	2.0
298.20126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2423
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01876	56.8
55.05509	60.7
57.07066	46.0
62.06084	78.5
67.05505	66.9
69.07063	100.0
69.42687	65.9
71.08617	22.2
73.25164	9.8
79.05502	54.6
81.07053	91.5
83.04996	19.2
83.08605	62.2
85.69865	9.2
91.05476	30.0
93.07043	63.8
95.08588	73.8
97.06519	18.6
97.10152	20.4
105.07031	27.4
107.08559	31.6
109.10152	26.4
111.08089	9.6
119.08600	18.9
121.10148	41.0
125.93027	10.4
135.08026	10.6
135.11685	31.6
136.06190	35.9
143.08604	11.8
145.10059	15.0
153.12749	51.9
207.58559	10.5
209.13242	10.6
214.63696	9.3
233.22797	16.8
240.96059	8.9
243.20992	13.0
251.03032	10.4
261.22107	24.8
279.23120	58.7
297.07565	19.2
297.18451	56.2
297.21964	23.7
298.27393	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2424
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.01871	45.0
55.05505	54.6
56.03029	8.2
57.07067	21.5
62.96828	10.2
67.05505	71.0
69.07063	55.9
71.08610	18.8
71.31165	8.0
79.05488	31.0
81.07049	100.0
83.04956	14.0
83.08616	22.8
84.79324	8.5
91.05482	33.5
93.07041	48.6
95.08601	72.9
97.10188	18.2
105.07071	9.9
107.08588	37.4
109.10136	27.1
117.07045	10.6
117.64867	9.0
119.08607	9.6
121.10150	34.5
123.11702	14.3
125.09634	15.4
131.08533	16.4
133.10135	12.2
135.11658	19.3
136.06175	47.2
147.11626	10.2
167.03384	11.3
195.11604	9.0
233.22751	10.5
261.22272	11.5
279.23138	33.6
283.03040	11.1
297.07693	15.7
297.18802	11.5
297.22000	21.5
297.33383	39.0
299.06323	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.78432	4.8
52.25587	4.3
55.01870	9.3
55.05514	71.7
57.07071	14.4
67.05508	100.0
69.07071	58.6
71.05002	6.4
71.08640	4.9
71.29503	4.8
72.77926	4.1
79.05490	45.4
81.07063	74.0
83.04966	6.3
83.08619	38.3
84.79169	5.0
85.06532	6.8
91.05464	11.2
93.07039	43.6
95.08604	75.7
97.06542	12.7
97.10175	42.7
105.07042	12.9
105.53572	4.0
107.08604	42.1
109.10162	35.2
111.08075	4.4
119.08627	6.6
121.10141	15.2
123.11726	18.8
125.09646	28.9
131.08549	8.9
133.10133	5.8
135.08057	7.0
135.11720	26.9
136.06195	15.2
137.09566	5.0
137.13268	9.4
147.11662	6.0
149.13239	6.4
150.41261	3.8
153.12735	12.6
161.13235	4.6
173.11848	5.2
173.13242	6.7
175.14827	5.5
189.11275	6.5
223.16699	4.6
243.21187	10.3
261.22089	22.8
279.23166	50.1
297.24283	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	297.2427
Annotation	(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
Peak:m/z	Relative Intensity
55.05513	8.9
57.03442	4.1
57.07081	29.4
62.37388	1.9
67.05512	37.3
69.07076	10.0
69.24640	13.1
71.04995	2.5
71.08620	1.9
79.05488	10.8
81.07064	26.5
83.04983	4.8
83.08625	7.3
85.10190	76.2
91.05481	18.3
93.07045	14.0
95.08607	24.5
97.06548	3.0
97.10152	4.5
105.07064	9.5
105.18502	2.2
107.08600	10.1
109.10159	5.3
111.08127	3.2
113.09653	100.0
114.09978	2.5
117.06979	3.0
121.10172	8.3
123.11681	2.3
131.08597	7.4
131.10674	4.6
133.10146	44.8
135.11717	5.5
141.12817	2.9
149.09660	8.2
149.13277	31.4
151.11162	10.2
159.11684	2.5
165.12776	3.6
167.14331	18.3
173.13260	2.5
181.15909	7.6
192.72942	1.8
233.22827	2.4
243.21164	10.0
261.22159	19.2
279.23203	48.1
297.24234	4.5
298.31143	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.79366	0.1
56.05038	0.1
57.03432	0.2
61.01153	6.0
69.03419	0.4
69.72001	0.4
69.72409	0.2
70.06591	0.7
72.08158	1.1
75.02708	2.9
79.05479	0.3
82.06587	0.1
83.06075	0.1
84.04518	0.2
84.08137	0.3
86.09698	0.7
91.05483	0.2
93.07050	0.2
94.04066	0.6
95.08612	0.2
96.08133	1.1
97.02901	1.4
103.02179	0.5
107.04901	0.1
110.07105	0.2
114.09175	2.7
119.03552	0.9
120.08102	0.3
126.09141	0.2
129.10242	0.1
136.06187	100.0
137.04692	0.6
137.06647	1.3
145.03169	1.5
148.31625	0.1
163.04234	1.4
165.30127	0.1
186.32692	0.1
186.93782	0.1
193.10950	0.2
194.61644	0.1
206.06674	0.2
208.08359	0.1
222.83714	0.1
224.08049	0.2
236.07957	0.1
239.11417	0.3
270.08084	0.1
280.06778	0.2
280.19073	0.8
298.09763	3.2
298.20132	3.7
299.05597	0.3
299.20541	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	298.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.0
56.05046	1.8
56.96561	12.2
61.01165	2.3
67.01323	1.3
69.03401	1.6
69.70667	5.1
70.06602	9.7
72.08160	6.8
81.04536	3.9
83.06100	14.0
84.04512	4.2
84.08149	4.3
85.02911	2.6
86.09710	4.8
94.05355	2.3
95.06091	1.9
97.99178	2.7
98.97585	8.2
109.99158	2.8
110.07155	16.7
116.98618	4.8
120.08107	4.4
121.07656	3.4
121.08416	3.2
122.07113	1.7
122.08413	2.8
128.00223	4.4
131.01314	5.4
133.07646	4.4
136.03935	3.3
136.06180	18.3
136.07262	1.7
136.07602	1.6
137.02370	1.6
139.01770	1.8
140.00203	2.4
146.01245	4.3
148.08728	6.2
149.04555	9.0
152.05670	4.6
156.07732	2.1
157.02861	4.3
158.01251	3.4
165.08972	5.6
166.07253	100.0
166.09770	10.4
167.04391	1.5
167.05672	9.9
175.03995	2.0
177.09178	2.3
178.09756	6.6
184.03941	3.7
184.06569	2.1
185.05360	3.4
190.07497	1.8
193.10875	28.0
194.09300	4.1
194.11171	1.4
196.14482	6.3
202.04903	2.4
202.07478	4.0
209.10342	1.9
235.82118	1.7
239.08939	2.6
239.11383	49.2
254.11789	6.5
272.12869	5.0
274.97543	4.8
292.98651	2.8
298.07956	2.0
298.11142	20.8
298.13907	6.5
298.18787	6.6
299.17194	5.4
316.11838	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2013
Annotation	Heleurine
Peak:m/z	Relative Intensity
53.75105	0.4
54.04600	0.4
55.05512	0.4
56.05032	0.7
57.03446	0.4
58.06601	8.9
67.05518	0.9
69.07073	0.6
69.80229	0.7
69.80624	1.0
70.01859	0.3
70.06603	2.3
71.04984	0.9
72.08154	100.0
73.08492	1.0
79.05499	1.8
81.03405	0.4
81.05782	0.6
81.07085	0.7
84.08154	1.1
91.05468	0.5
93.07076	0.5
94.06555	1.0
95.04988	0.4
95.08625	0.4
96.08131	13.1
97.06552	0.7
98.97592	1.1
100.07630	0.4
114.09167	36.6
115.09504	0.9
116.98598	0.5
117.07044	0.8
124.11234	1.9
133.10144	0.5
136.06177	1.1
141.05388	0.4
156.40790	0.4
174.22523	0.3
178.63843	0.3
193.10913	0.7
206.02888	0.4
239.11510	0.6
274.97412	0.9
278.93353	0.7
280.19138	2.3
280.22150	0.4
280.95163	0.4
292.98529	0.9
298.20129	59.5
299.20410	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	298.2013
Annotation	CHEBI:56080
Peak:m/z	Relative Intensity
53.03955	0.4
54.56958	0.3
55.05513	0.7
58.06318	0.5
58.06604	8.9
67.12686	0.3
68.05007	0.4
69.07060	0.6
70.06593	0.3
70.54067	0.6
70.54432	0.6
74.44029	0.3
75.27389	0.2
79.05133	0.3
79.05505	4.1
81.05802	1.5
81.07097	0.4
94.06570	2.0
94.92700	0.3
96.08133	35.5
97.06522	0.6
97.08473	0.5
101.02251	0.3
104.45770	0.3
105.16574	0.3
114.09167	100.0
115.09512	1.9
136.06166	0.4
158.56496	0.3
166.68579	0.3
280.19183	0.5
298.20135	27.6
299.20456	1.5
308.94916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03178	0.3
52.34387	0.3
55.05511	1.9
56.05048	1.7
57.03428	1.3
58.06320	0.6
58.06604	11.6
59.97372	0.4
59.97687	0.3
62.50347	0.3
65.03940	1.0
67.05508	13.4
68.05852	0.3
69.07067	1.3
69.25119	1.1
69.25530	1.0
70.06594	1.9
71.04992	1.0
72.08158	1.8
72.89455	0.3
79.05495	3.6
81.07056	16.0
82.06550	0.6
83.04988	0.4
83.08620	0.9
83.51959	0.3
84.08134	4.0
85.06540	1.2
88.07622	0.8
91.05490	1.8
93.07049	5.2
95.08608	10.9
96.08128	1.6
96.08929	0.3
97.06557	0.5
97.08913	0.5
97.10150	0.4
98.97591	0.6
99.08186	0.3
101.85756	0.3
105.07016	1.6
107.08592	3.9
108.08115	0.6
109.06493	0.9
109.10159	3.0
110.09648	0.7
112.11244	0.6
114.09194	0.5
117.07066	0.6
119.08583	1.1
121.06502	0.4
121.10126	1.5
124.11223	0.6
127.07578	0.4
131.08568	1.3
133.10106	1.0
135.08034	0.6
135.11691	0.5
137.09599	0.4
145.10089	0.5
147.11667	0.7
148.34593	0.3
149.09712	0.4
149.13248	1.6
159.11696	0.4
173.13266	1.4
236.23758	0.6
236.60207	0.3
262.21686	0.9
274.97620	0.4
280.22720	15.5
281.23123	1.0
294.34866	0.3
298.23764	100.0
299.24081	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	298.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
56.04789	0.3
56.05038	2.5
57.03433	1.6
58.06321	0.3
58.06604	4.1
65.03921	0.2
67.05507	5.0
69.07066	0.9
69.46245	1.0
70.06599	2.3
71.04987	0.6
71.07372	1.2
71.63099	0.2
72.08154	1.7
77.16159	0.2
79.05503	3.0
81.07058	6.3
82.06614	0.3
83.08611	0.3
84.08148	10.0
85.06544	1.1
88.07616	0.7
91.05481	1.6
93.07044	3.7
95.08051	0.3
95.08608	3.5
96.08112	1.4
97.06512	0.3
97.08910	0.6
98.09707	1.3
99.08105	0.3
105.07046	1.1
107.08600	2.7
109.06522	0.4
109.10155	0.8
110.09681	1.7
111.10457	0.4
112.11266	1.4
117.07034	0.4
119.08557	0.7
121.10138	1.0
124.11224	0.5
124.93372	0.2
131.08571	0.8
133.10126	0.7
135.11668	0.4
138.12769	0.3
145.10107	0.3
147.11690	0.8
149.13242	0.3
152.14337	0.3
159.11703	0.6
177.12732	0.2
239.11401	0.2
244.23088	0.2
262.21680	1.0
263.57367	0.2
280.22720	25.7
281.23044	1.7
298.23770	100.0
299.24088	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	298.2745
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
51.52214	1.2
53.03970	1.2
54.11542	1.2
55.05514	14.9
56.05042	8.0
57.03444	1.4
57.07076	3.0
58.02967	2.9
60.04532	2.0
62.98254	1.4
63.61550	1.1
65.03956	1.2
67.05515	22.5
68.05032	1.9
68.05840	1.3
69.07071	15.0
70.43812	2.5
70.44169	1.9
71.08652	2.6
72.97185	1.3
79.05496	11.9
80.05051	2.6
81.03407	2.4
81.07067	20.0
82.06577	9.8
83.08626	9.8
86.06073	4.1
88.64740	1.2
91.05482	9.6
92.19304	1.2
93.07058	8.1
94.06572	3.7
95.04964	3.0
95.07323	1.3
95.08607	14.6
96.08190	1.9
97.06525	1.4
97.10181	4.2
98.06099	2.0
98.97606	4.4
99.08115	1.7
100.07635	2.5
105.07040	5.9
106.07342	1.3
107.08605	4.8
109.10188	5.6
111.11749	1.4
114.09209	1.3
116.98627	3.2
119.08586	3.5
121.10150	4.3
122.09704	1.3
123.11697	2.5
131.08568	2.0
133.10188	2.7
134.06863	1.4
135.11720	1.8
136.06195	4.0
162.06340	1.5
245.22731	1.5
250.25296	8.5
262.25281	4.7
265.15726	1.6
274.97446	4.6
280.26379	100.0
281.26630	5.9
292.98523	3.0
298.18936	4.7
298.27243	1.3
298.31146	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	298.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75184	1.3
53.03952	2.0
55.05513	14.9
56.05042	7.7
57.07074	3.4
58.02957	3.7
60.04514	2.0
62.98254	2.0
65.03948	1.2
67.05505	21.2
68.05027	4.0
68.43745	1.0
68.83652	1.0
69.03423	1.0
69.07071	13.3
69.56651	1.2
69.56926	5.1
71.08661	1.1
72.04489	1.4
79.05486	13.6
80.05013	3.0
81.03382	1.5
81.07050	20.9
82.06576	10.4
82.94545	1.8
83.05007	1.8
83.08630	6.1
84.08150	1.4
85.10148	1.2
86.06069	2.4
91.05471	8.9
91.86098	1.1
93.07047	8.5
94.06590	4.7
95.04980	2.1
95.08602	16.1
96.08139	1.4
97.06499	1.4
97.10172	2.6
98.06028	1.2
98.97601	4.4
100.07637	2.9
105.07034	3.7
107.08598	3.5
108.08147	1.8
109.10169	5.0
111.11711	1.3
112.07645	1.2
116.98640	2.3
119.08599	1.7
121.10156	2.6
122.09701	2.1
123.11744	1.9
133.10188	2.5
135.11716	1.7
136.06195	3.5
147.11568	1.3
161.13284	1.5
174.79240	1.2
186.48820	1.0
191.18024	1.2
202.76871	1.1
250.25291	9.1
262.25250	5.7
274.97650	2.1
280.26331	100.0
281.26730	6.9
292.98856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03930	0.6
55.05508	3.0
56.05023	0.8
57.03435	5.6
57.07072	5.4
57.66364	0.5
58.06591	0.7
61.38703	0.5
65.63544	0.4
67.05510	4.6
68.05019	1.2
69.07070	3.0
70.06562	0.6
71.08632	3.3
72.08146	1.9
74.06094	0.7
75.04478	1.3
79.05488	7.7
81.05798	1.5
81.07051	7.1
82.07391	0.5
83.08607	1.5
85.10206	2.9
87.76427	0.5
91.05478	3.4
93.07056	1.5
94.06573	2.4
95.08603	14.9
96.08125	43.9
97.06534	1.3
97.08439	0.8
97.10146	0.7
98.97572	1.8
105.07021	0.6
107.08567	1.1
108.97220	0.7
109.10159	2.9
112.11226	0.6
114.09164	100.0
115.09504	2.1
117.07059	2.5
121.10159	1.1
123.11639	0.7
124.48840	0.5
129.07062	0.6
136.06190	1.6
143.08556	0.7
169.15871	4.7
170.16354	0.6
186.18486	0.6
187.16946	0.8
196.23386	0.6
207.21072	0.8
225.22072	0.6
227.58812	0.6
262.25244	1.8
263.23761	3.0
274.97421	1.0
280.26331	6.4
292.98563	1.2
298.27399	30.3
299.27798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Cassine
Peak:m/z	Relative Intensity
51.34686	0.2
53.03934	0.5
55.05510	7.9
56.05035	1.9
57.03421	0.5
57.07058	0.4
58.06586	0.5
61.37714	0.3
62.90734	0.2
65.03938	0.4
67.05502	10.3
68.05009	0.5
69.06738	0.3
69.07066	3.4
69.67608	0.9
70.06591	6.3
72.08143	0.4
74.06066	0.3
79.05064	0.3
79.05491	4.3
80.05007	0.3
81.05765	0.8
81.06590	0.4
81.07053	8.3
82.06198	0.2
82.06580	2.4
83.08605	1.4
84.08126	0.9
85.06521	0.2
91.05454	0.9
93.07037	3.9
94.06560	1.4
95.04947	0.3
95.08603	5.2
96.08125	20.0
96.35719	0.2
97.06509	0.8
97.08363	0.3
97.08936	1.3
97.10166	0.5
98.06015	0.4
98.09687	3.0
98.97557	0.8
100.07578	0.3
104.04984	0.2
105.07010	0.6
107.08580	1.4
108.08086	0.3
109.08890	0.3
109.10148	1.6
110.09709	1.4
110.10342	0.4
114.09163	18.5
116.98598	0.7
119.08540	0.5
121.10131	0.9
122.09664	0.6
123.11703	0.3
124.11223	0.5
133.10052	0.2
135.11655	0.5
136.06178	1.3
136.11168	0.3
138.12746	1.1
147.11658	0.3
148.94513	0.2
152.14301	0.3
180.17406	0.5
187.11172	0.3
193.10938	0.4
222.22220	0.3
234.22150	0.3
239.11465	0.6
260.23807	0.4
262.25284	36.2
263.25665	1.8
274.97479	0.8
280.26337	18.7
281.26697	1.1
281.83963	0.3
292.98605	0.4
298.27380	100.0
299.20010	0.3
299.27722	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	298.2744
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
50.98529	1.7
53.03943	2.0
55.05518	25.7
55.35196	2.0
56.05048	10.4
56.96577	3.6
57.03448	2.3
57.07084	18.1
58.02985	2.6
60.04515	1.9
65.03925	2.7
67.05177	3.5
67.05513	42.2
68.05029	3.8
69.07082	26.4
69.84464	6.8
71.08648	17.9
74.42995	2.0
79.05497	19.6
80.05042	3.3
80.94851	2.2
81.03414	2.2
81.07068	36.6
82.06589	11.9
83.04989	2.7
83.08634	19.3
85.10179	5.3
86.06083	4.1
91.05482	10.3
93.07047	10.7
94.06596	6.2
95.08624	30.0
97.10179	15.1
98.97607	8.2
100.07619	2.3
105.07036	7.5
107.08614	8.4
109.10184	15.2
111.11723	5.9
116.98639	7.9
119.08616	6.0
121.10161	6.0
123.11729	6.8
125.09614	1.9
125.13322	2.1
133.10136	5.6
134.99681	4.1
135.11775	3.9
136.06174	7.8
137.13289	3.7
141.12744	3.1
147.11725	3.7
149.13280	2.0
152.13972	1.7
155.14345	7.0
158.53650	1.8
161.13322	2.2
164.92070	2.0
167.03465	2.0
232.25218	1.7
245.22696	7.9
250.25362	11.3
262.25284	2.3
263.23758	4.5
274.45679	1.8
274.97510	12.8
280.26389	100.0
281.26901	3.5
292.98563	4.6
298.13934	2.1
298.27579	3.8
298.30963	12.8
299.25854	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	298.3109
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
55.05405	2.8
55.05703	1.2
56.04925	1.3
56.05222	0.5
57.03330	1.7
57.03648	0.7
57.06973	1.2
57.07272	0.4
58.06490	3.2
58.06815	1.2
67.05382	2.5
67.05782	0.6
69.06944	3.5
69.07359	0.8
70.06471	1.8
70.06895	0.5
71.07270	0.5
71.07604	0.2
71.08504	0.8
72.08024	1.6
72.08459	0.3
79.05371	0.7
80.94748	0.3
81.06922	3.0
81.07454	0.5
82.06479	0.4
83.08488	2.1
84.08012	7.8
84.08579	1.2
85.06437	0.4
85.06876	0.2
85.10104	0.3
87.04359	0.3
88.07497	0.7
91.05364	0.2
93.06950	0.4
95.08465	3.7
96.08018	0.4
96.08796	0.2
97.10039	1.6
98.09554	0.7
98.97449	0.7
109.10007	1.4
110.09598	0.3
111.11577	0.3
112.11095	1.0
116.98537	0.5
121.06329	0.2
121.10009	0.2
123.11591	0.3
134.99553	0.3
136.06042	0.8
146.85063	0.2
164.91916	0.2
198.22162	0.2
212.23663	0.3
226.25252	0.3
230.24698	0.3
245.21251	0.2
250.25272	0.3
262.25266	0.3
274.97498	0.7
280.26440	3.8
280.29971	25.7
281.26569	0.2
281.30353	1.3
292.98587	0.7
298.31049	100.0
299.31390	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	299.2006
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
55.01861	0.9
55.05497	3.1
57.07065	1.3
67.05487	2.8
69.01722	7.8
69.07055	2.3
70.06585	1.3
79.05502	5.2
80.22845	0.8
81.07066	4.8
83.04978	2.7
83.08601	2.9
91.05480	32.6
92.45806	0.8
93.07043	7.2
95.04955	1.7
95.08611	6.7
98.22633	1.8
103.05432	1.4
105.07034	21.2
107.08592	9.2
109.06512	1.6
109.10189	1.5
109.14711	0.7
110.07111	1.0
111.54432	0.7
115.05441	1.8
116.06243	7.5
117.07020	2.7
119.04933	10.8
119.07787	1.2
119.08585	17.9
120.08852	0.9
121.06507	1.7
121.10145	6.8
123.08042	3.1
123.11645	1.1
125.09615	3.1
128.06136	1.5
129.06989	9.7
131.08565	49.0
133.06537	1.0
133.10123	3.7
135.08029	2.5
135.11632	1.4
142.07790	3.1
143.08543	5.1
145.10124	3.7
147.08006	1.3
149.09612	4.6
155.08543	2.7
156.09312	2.4
157.10136	5.9
159.08051	100.0
159.11641	2.5
160.08398	3.1
161.09566	3.1
161.13258	1.4
163.11212	1.2
167.08578	1.2
169.10103	2.9
171.11658	5.9
173.09671	1.4
175.11215	1.6
181.10049	1.6
182.10858	2.1
183.08147	0.9
183.11636	3.5
185.09608	1.8
187.11165	1.4
189.12708	3.5
192.09312	1.5
193.10132	1.8
195.11702	1.7
197.09633	1.2
197.13252	5.2
199.11197	5.6
199.14778	2.0
201.12714	1.7
206.10846	1.7
207.11682	3.0
209.13196	1.0
210.10396	1.2
211.11179	2.2
211.14821	1.0
213.12717	1.7
215.14346	1.4
221.13274	2.6
223.14821	1.9
225.12721	3.5
226.13486	1.0
227.47267	0.8
233.13255	1.6
235.14819	0.9
237.16431	1.2
239.14320	1.8
241.15924	1.1
243.13760	1.5
248.15492	0.8
252.15027	0.9
253.19562	1.3
255.17461	1.4
257.19049	2.2
263.17972	4.4
281.18988	19.2
282.19400	1.0
299.09158	1.2
299.14117	1.8
299.20010	40.5
300.20325	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	299.2004
Annotation	Dictyterpenoid A
Peak:m/z	Relative Intensity
53.19859	1.6
53.94902	1.5
54.07800	1.4
55.05508	6.2
55.78909	1.8
57.03438	2.3
58.15675	1.5
67.05510	9.9
67.30869	1.6
69.03434	2.7
69.07066	5.0
69.54230	8.9
71.08608	3.1
79.05500	8.0
81.07060	15.8
82.07379	2.3
83.04989	4.9
83.08617	4.6
91.05490	36.5
93.07051	9.6
95.04966	3.4
95.08598	11.7
96.08144	3.6
97.06567	2.5
97.08430	3.0
105.07036	26.1
107.08598	11.6
109.06516	2.8
109.10130	2.9
111.04436	2.4
114.09178	6.1
115.05476	2.2
115.09522	4.0
116.06293	8.2
116.06977	1.9
117.07043	3.2
119.04960	9.5
119.08586	16.6
121.10151	8.8
123.08058	4.2
123.11693	3.5
125.09612	3.9
129.05525	1.8
129.06984	10.5
131.08574	47.8
131.09505	3.2
133.10112	3.9
135.08034	3.1
142.07811	3.3
143.08617	4.6
145.10193	4.3
147.11678	10.1
149.09666	6.3
155.08551	3.1
156.09283	1.9
157.10149	7.6
159.08064	100.0
160.08434	3.9
161.09612	2.2
161.13316	2.4
165.12787	4.6
169.10144	1.9
171.11726	6.2
173.13333	1.7
175.11240	2.4
182.10944	1.9
183.11734	3.3
185.13036	2.1
189.12811	3.5
192.09377	1.7
195.11813	1.6
197.13220	3.6
199.11154	7.2
206.10985	1.8
223.14825	2.5
225.12761	5.5
239.11952	2.3
239.17958	1.7
243.13687	2.3
250.57092	1.8
255.17432	2.4
263.17932	2.9
263.25732	7.2
281.19028	17.9
282.19812	1.8
282.27893	1.9
299.14206	3.5
299.20175	41.0
299.23669	2.9
299.27740	17.0
300.20541	2.9
300.29095	2.0
313.28683	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	300.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50324	1.0
55.05495	3.4
56.05034	2.7
56.96569	19.6
58.06585	1.5
69.07066	1.2
69.23047	7.2
69.23458	2.0
70.06594	35.4
70.98103	1.3
71.95267	2.2
72.08150	19.5
73.08514	1.9
74.01118	1.1
83.06107	1.2
84.04494	4.3
84.08144	19.7
84.96012	1.9
85.02866	1.3
86.09705	13.4
88.08740	1.3
92.69191	1.2
97.02881	1.4
98.97584	100.0
110.07173	4.2
110.97558	1.4
112.00701	2.4
112.08718	2.2
115.08669	1.2
116.07086	4.3
116.98626	50.3
119.01918	2.8
120.08110	3.9
129.10246	5.5
130.01714	2.0
132.96701	1.2
132.97981	1.1
134.99658	17.2
138.05461	2.0
138.09154	5.3
139.03903	1.4
140.00191	1.2
144.10196	2.0
149.00513	1.8
153.00745	1.8
157.09746	3.1
158.04886	2.0
158.99934	1.5
168.05199	3.8
174.97638	6.6
175.97754	5.5
176.97418	2.7
177.00961	8.5
178.01009	10.9
179.00691	5.3
182.99832	1.3
185.09277	1.4
187.10736	2.7
192.98674	2.7
193.03226	11.5
193.98877	4.1
194.98415	1.8
201.00925	1.3
203.02475	3.7
204.02611	11.5
205.00542	1.5
205.02325	4.2
213.12363	1.4
214.14026	1.9
216.98672	6.9
219.02011	13.3
220.02122	3.9
221.01714	2.5
229.56636	1.3
232.00383	4.1
232.96469	1.4
233.03592	6.0
234.99733	4.0
240.98557	6.1
246.03775	5.0
248.01604	4.4
249.01369	2.6
250.01456	5.1
250.04120	1.3
251.01352	2.6
251.97905	1.4
257.98383	2.2
258.99689	55.4
259.09619	3.6
259.99860	1.4
262.03171	1.4
263.02908	3.6
270.99503	1.4
274.99371	2.0
275.99493	14.3
276.97656	2.1
277.00775	65.3
277.10684	9.5
278.01038	4.4
294.00589	1.3
294.97861	1.3
295.11658	1.2
299.97928	5.5
300.09976	3.4
300.14368	3.7
300.17957	4.0
300.97632	2.6
301.02872	6.4
317.98914	10.7
318.02127	2.5
318.08923	2.6
318.98407	2.2
319.03461	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13371	3.2
70.06593	100.0
71.06932	1.2
72.08157	1.2
82.14877	0.4
84.04518	1.8
84.08149	1.4
86.09707	4.0
94.06563	2.1
96.04503	0.4
108.21353	0.4
110.06021	0.4
112.07606	85.0
113.07951	1.5
116.07103	2.0
120.08142	0.5
128.15050	0.4
129.10265	0.4
132.10208	0.5
138.05574	0.7
138.09169	1.0
140.07063	46.7
141.07385	1.2
141.10240	0.7
142.08653	0.4
143.08167	1.2
144.06578	0.9
144.10228	0.8
150.25626	0.4
156.10185	0.9
157.09709	4.0
161.09219	1.1
169.09692	0.5
187.10802	0.6
229.15451	1.2
229.84042	0.4
239.56302	0.4
240.13437	0.8
268.13028	0.9
300.15433	1.1
300.18149	2.4
300.21704	1.0
301.12582	6.5
311.69632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1916
Annotation	Ala Pro Leu
Peak:m/z	Relative Intensity
50.88263	0.3
51.11388	0.3
58.06591	0.3
68.46056	0.3
69.07074	0.7
70.06589	100.0
70.63481	0.5
70.63802	0.6
70.69949	0.3
71.06927	1.3
72.08172	1.8
76.76587	0.3
84.08140	0.6
86.09700	9.2
98.06059	0.9
116.07087	8.6
116.07909	0.4
117.40083	0.3
126.61327	0.3
129.48166	0.3
132.10159	1.6
138.09108	0.5
141.10220	16.2
156.10265	0.4
157.13335	2.7
169.09718	14.4
170.10020	0.3
183.14981	1.3
185.12827	0.5
187.10838	0.4
201.12340	0.5
203.13898	0.5
229.15456	28.7
230.15869	0.8
300.18832	4.0
300.21768	1.1
310.48572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33018	0.1
53.03937	0.1
55.05515	1.0
56.05032	0.3
58.06602	2.4
64.06927	0.1
67.05470	0.1
67.95043	0.1
68.05021	0.8
69.07071	0.8
69.23486	0.7
69.23895	0.2
70.06586	0.6
72.08162	0.2
79.05496	4.8
80.05044	0.2
81.05795	1.9
86.09716	1.0
94.06573	2.1
94.07117	0.2
95.04972	0.2
96.08131	39.7
97.06542	0.6
97.07920	0.2
97.08464	0.9
98.22618	0.2
101.02003	0.1
112.03947	0.3
114.09167	100.0
115.09499	1.9
135.66490	0.1
144.08105	0.1
176.28484	0.1
264.19641	0.2
282.20584	0.8
300.21695	30.0
301.22089	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	300.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05510	4.0
56.05050	0.5
57.03424	0.8
58.06607	3.2
59.06926	0.7
67.05502	2.3
68.98437	3.3
68.98833	0.7
69.07070	5.6
70.06593	7.0
71.05008	0.5
72.08150	2.1
73.06562	0.9
77.48807	0.4
79.05074	0.5
79.05499	5.7
81.05769	0.6
81.07062	3.4
82.06583	2.0
84.08146	0.7
85.06550	0.7
85.71521	0.4
91.05496	3.0
93.07052	4.0
94.06570	1.1
95.05001	0.5
95.08624	1.3
96.08128	13.6
97.06541	3.1
97.08923	1.2
98.09684	6.6
98.22551	0.8
105.07017	3.2
107.08588	0.9
108.08105	0.6
110.09686	1.8
114.09172	11.7
115.07544	0.5
117.07053	0.7
119.08598	2.0
121.10121	0.5
122.09703	1.3
124.11224	0.5
125.05980	2.0
128.10725	4.9
131.08516	0.9
133.10126	1.6
136.11234	0.8
137.11977	3.1
142.12268	3.2
143.07037	4.3
145.10126	1.2
147.11647	1.4
161.08076	0.6
161.09602	0.7
162.12772	0.5
205.67429	0.4
220.20596	1.0
236.16522	0.5
246.18538	1.3
264.19586	18.9
265.20084	0.9
282.20624	15.3
283.20953	1.0
291.88458	0.5
300.21692	100.0
301.22040	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75776	0.1
55.05514	0.4
56.05032	0.6
57.03432	0.5
57.05823	0.4
58.06610	0.4
58.55915	0.1
67.05515	0.6
69.07063	1.4
70.06591	2.1
71.05003	0.1
71.05971	0.3
72.08157	100.0
73.06556	0.2
73.08489	1.1
79.05501	1.0
81.03445	0.1
81.05798	0.2
81.07073	0.9
82.06607	0.2
83.04980	0.2
84.08161	0.8
86.09721	0.2
91.05470	0.9
93.07059	0.8
94.06571	0.2
95.07349	0.1
95.08613	0.8
96.08134	4.3
96.41578	0.1
97.06524	1.3
100.07623	0.3
100.11261	0.2
101.08401	0.2
105.07033	0.3
107.08632	0.4
108.86359	0.1
109.08915	0.2
110.09659	0.4
111.08088	0.2
114.09172	9.5
117.07060	0.2
119.08605	0.6
121.06511	0.1
121.10172	0.2
122.09714	0.2
123.08071	0.1
124.11243	2.3
125.05997	0.4
131.08592	0.2
133.10109	0.4
135.11699	0.3
137.77486	0.1
143.07050	0.7
145.10147	0.3
161.08099	0.2
163.11179	0.3
173.13290	0.3
191.14258	0.3
217.19391	0.1
219.13806	0.3
219.16408	0.2
282.20673	2.7
300.21692	48.4
301.22018	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	300.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15700	0.1
55.05512	3.0
56.05037	1.8
57.03434	1.9
57.07062	0.2
58.06600	4.0
64.99241	0.2
67.05502	2.9
69.07063	2.3
69.43645	0.9
70.06588	2.0
71.04998	0.3
71.07372	0.6
72.08148	1.9
72.34795	0.1
77.00714	0.2
79.05477	0.9
81.07050	4.2
82.06577	0.2
83.04987	0.3
83.08624	1.6
84.08138	8.9
85.06547	0.6
86.09706	0.4
88.07626	0.6
91.05497	0.5
93.07035	1.2
95.08603	4.0
96.08144	0.4
97.06527	0.3
97.08890	0.2
97.10170	0.7
98.09656	0.9
98.19855	0.2
98.23323	0.3
99.04479	0.2
105.07044	0.5
107.08578	0.8
109.10149	1.8
110.09679	0.3
111.04469	0.2
112.11243	1.2
116.32802	0.2
119.08579	0.3
121.10143	0.4
123.11723	0.3
124.11236	0.2
125.09602	0.2
133.10147	0.3
135.11655	0.5
145.10089	0.2
147.11507	0.2
149.13245	0.3
161.13251	0.6
179.96523	0.2
191.10742	0.2
196.16879	0.2
200.16431	0.2
206.59732	0.2
210.18526	0.3
247.87808	0.2
264.23227	2.7
282.24258	29.0
283.24570	1.7
297.25879	0.2
300.25305	100.0
301.25650	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	300.2894
Annotation	Sphingosine
Peak:m/z	Relative Intensity
52.63760	0.4
55.05507	1.9
56.05047	0.6
57.03440	4.5
57.07077	15.5
58.06603	4.3
60.08164	0.5
67.05505	5.1
69.07062	2.0
69.51403	0.9
69.51809	1.9
70.06589	2.1
71.07383	0.7
71.08632	15.6
72.08157	23.5
72.76743	0.6
73.06539	0.5
79.05493	4.4
81.07056	24.6
83.08626	1.0
84.08155	4.2
85.06515	0.9
85.08916	2.7
86.09241	0.5
86.09713	1.6
88.09042	0.4
91.05473	0.8
93.07037	1.4
95.08610	2.7
96.08107	0.6
97.10207	0.6
98.09718	1.4
101.14328	0.4
107.08590	0.5
109.10165	0.5
121.10152	0.8
123.11718	2.8
124.11200	1.0
135.11664	0.7
141.12733	11.5
144.02792	0.4
156.08395	0.6
197.19119	0.5
237.22163	5.9
252.90694	0.5
282.27917	57.6
283.28238	3.0
300.28964	100.0
301.15726	0.5
301.29260	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05511	27.0
56.05035	16.1
57.03433	6.9
57.07081	5.8
58.06605	7.8
60.04526	1.8
60.05972	1.0
65.03928	1.4
67.05177	1.8
67.05508	21.6
69.06689	1.5
69.07066	24.6
69.40740	4.9
70.06593	28.6
71.05004	1.7
71.08633	1.8
72.08156	2.2
74.06079	75.3
75.58035	0.9
79.05496	6.7
81.07057	34.7
82.06589	2.4
83.08617	14.1
84.08143	3.4
85.06525	1.4
88.07606	1.1
91.05470	8.8
93.07053	5.3
95.08602	30.6
96.08141	3.0
97.10152	5.6
98.09657	1.5
98.23351	1.2
100.07591	1.5
107.08587	3.0
109.10157	12.4
110.09666	1.1
111.75016	0.9
114.09168	3.2
115.09555	1.5
117.07033	1.3
121.10148	3.7
123.11734	3.1
132.10263	1.6
135.11696	1.9
149.13280	1.7
149.64232	0.9
204.08975	0.9
205.46976	1.1
264.26852	100.0
265.24945	1.8
265.27307	4.2
282.27921	71.4
283.28290	3.9
300.14426	1.2
300.29214	50.1
301.29352	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	300.2899
Annotation	2-Aminooctadec-4-ene-1,3-diol
Peak:m/z	Relative Intensity
53.03937	1.9
55.05513	21.9
56.05032	5.2
57.03446	5.5
57.07067	5.3
58.06606	20.9
59.04999	2.0
65.03914	1.0
67.05138	1.4
67.05505	28.4
69.06723	2.0
69.07069	21.0
69.42274	1.9
69.42681	4.3
70.06600	18.3
71.04985	1.2
71.08633	3.4
74.06085	6.2
79.05486	6.4
81.07057	32.9
82.06589	1.5
83.08620	16.0
84.08140	1.7
85.06577	2.3
91.05489	3.4
93.07040	5.6
95.08608	35.5
97.10176	7.3
98.09686	1.3
104.64201	1.1
106.37365	1.0
107.08597	4.0
109.10148	10.9
117.06995	1.5
118.55421	1.1
121.10182	3.4
122.10397	1.3
123.11729	3.1
127.71480	1.0
135.11699	3.1
135.72859	1.2
149.13387	2.1
191.90237	1.1
194.28552	1.0
205.07834	1.1
219.63217	1.4
247.24226	2.2
256.26410	2.0
264.26859	39.9
265.27429	1.7
266.93890	1.4
282.27948	30.2
283.28534	1.5
300.29047	100.0
301.29337	5.3
310.66772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.2
56.96562	5.7
60.05639	1.4
70.06596	23.8
70.06960	2.4
71.06946	1.8
71.15630	1.9
71.95274	1.4
72.08154	4.8
73.34212	1.2
84.04488	2.2
84.08141	5.6
85.55978	1.1
86.09709	3.0
88.08773	3.8
95.04893	1.3
95.14309	1.3
98.97585	13.0
102.54837	1.2
112.08721	1.8
116.07090	3.4
116.98620	7.2
119.01923	3.0
121.01715	1.4
129.10265	2.0
131.01862	1.7
134.99716	4.5
135.56635	1.2
137.02965	1.6
140.98859	2.3
143.01949	1.5
144.10248	3.0
145.03465	2.2
153.00952	1.9
156.97501	2.6
158.99854	6.1
173.07635	1.6
174.97644	1.3
176.97499	9.3
177.00955	79.2
178.01057	8.1
179.00708	6.6
194.98491	4.3
197.01396	1.8
198.98680	9.0
201.00912	5.1
205.02258	8.9
208.95959	2.4
215.02434	6.4
215.09802	2.0
215.12331	2.6
216.99280	2.6
219.02007	100.0
220.02147	7.9
221.01775	2.3
231.02063	6.7
233.00082	2.2
233.03586	56.1
234.03656	6.9
234.96756	1.4
237.01057	1.9
243.02129	1.8
247.03676	1.7
249.01253	2.2
251.01167	8.1
255.02084	4.0
255.14476	1.8
259.01572	55.6
260.01688	3.7
260.09811	2.1
260.99341	1.2
261.00269	2.2
261.03064	21.9
263.03012	1.5
273.03067	34.3
274.03308	2.7
275.03143	1.2
276.99139	14.1
277.02585	64.6
278.00616	2.8
278.03104	2.4
283.01419	2.3
295.00290	3.9
300.20325	5.6
300.98068	2.9
301.02560	76.8
301.12048	2.7
301.20657	2.0
302.02878	7.6
302.05591	2.2
302.19608	2.1
318.98694	3.2
319.03662	36.4
319.09283	2.2
319.19382	1.3
320.03812	3.5
324.04178	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.14520	0.3
55.05503	0.9
58.06564	0.5
67.05495	0.9
69.07042	0.4
70.06567	1.1
71.04975	0.6
71.29895	0.4
71.30319	0.4
72.08150	0.8
73.35198	0.7
79.05470	1.1
81.07051	2.1
84.08112	0.5
86.09676	1.2
91.05473	1.6
93.07021	1.5
95.04970	0.7
95.08592	2.5
97.02868	0.5
97.06516	0.3
99.00790	0.4
100.69806	0.4
100.86105	0.4
105.07034	1.7
107.08574	1.0
109.10142	0.7
112.01592	0.4
117.06992	0.4
119.04942	1.7
119.08562	1.0
120.05712	1.2
121.02859	1.6
121.10114	0.8
121.87885	0.3
127.00215	0.7
129.10168	0.4
131.08551	1.2
133.10146	0.8
135.11710	0.7
139.00308	0.5
143.08528	0.6
145.06465	0.4
145.10106	1.2
147.04372	0.7
147.08067	0.5
147.11641	0.5
157.10118	0.6
159.11716	0.9
160.05167	1.4
161.05994	0.4
161.09654	0.4
161.13309	0.4
168.00551	4.2
168.05812	0.5
171.04391	0.4
171.11629	0.5
173.13284	0.4
181.10117	0.4
184.05165	1.1
184.31001	0.3
186.01636	2.7
187.03932	0.4
187.11128	0.5
188.23669	0.4
195.04388	5.8
202.06277	0.7
212.04642	0.5
213.05417	0.4
215.03310	0.4
227.14102	0.4
229.98000	0.5
234.05186	0.8
240.04086	1.6
255.11188	0.4
257.04498	1.6
258.05237	1.8
259.10886	0.4
268.03604	0.4
283.16971	0.5
283.20151	0.5
283.24597	0.4
285.03909	2.9
286.04703	100.0
287.05032	4.4
300.02704	1.3
300.25421	0.7
301.07050	90.9
301.18030	1.5
301.25476	0.7
302.07327	4.4
302.21951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1194
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
52.87509	0.6
58.06591	2.2
63.00721	0.7
64.25297	0.6
67.05500	1.1
67.22694	0.6
70.06595	6.9
70.98330	1.0
72.08156	11.9
76.74635	0.6
79.05489	0.8
81.07060	1.9
82.29948	0.7
84.08144	3.8
86.09710	3.3
89.06023	0.9
96.23620	0.6
96.98184	0.6
97.02875	0.7
98.06036	0.8
98.97620	0.8
116.07088	1.1
117.07386	0.7
127.99435	0.7
136.06186	8.7
137.06667	5.5
149.05959	0.7
159.09172	0.7
171.05634	2.8
174.99207	0.8
227.04602	0.9
283.10800	3.5
283.20831	2.0
284.22235	1.5
301.11890	100.0
301.21899	6.3
302.12054	4.3
302.16156	0.8
302.19577	9.0
302.23230	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	301.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44033	0.4
53.04984	0.5
56.96566	100.0
69.07090	0.8
70.06594	3.3
71.27890	0.6
71.28284	0.5
71.95268	2.5
72.08167	1.4
72.96047	8.3
74.97590	2.9
83.97637	4.3
84.08155	3.8
84.96040	5.5
85.08447	0.6
86.09706	11.5
87.10012	0.7
92.98669	0.7
97.99185	1.3
98.26992	0.5
98.97586	3.7
106.81194	0.4
110.97601	1.1
113.98628	0.6
115.00709	1.2
116.98647	2.6
119.01934	0.8
122.59557	0.6
124.00714	2.8
126.02277	6.8
128.00195	0.6
128.97369	0.9
128.98596	1.7
129.02299	0.7
130.03537	0.6
134.99673	0.8
140.03833	10.2
142.01810	1.3
142.03540	1.4
142.05399	7.4
143.03812	0.7
144.03333	4.5
144.10193	0.9
146.99634	1.2
147.03334	0.6
153.02258	0.8
158.04892	15.4
160.04488	1.1
160.06467	22.2
161.04868	2.2
170.04877	9.2
171.03278	4.1
172.08243	1.6
176.05934	5.2
177.00932	3.3
178.07491	5.4
179.00687	0.6
188.05933	15.6
188.09477	0.8
189.04350	19.7
190.04837	0.8
198.98544	1.3
205.02333	1.2
206.00565	0.9
206.06999	37.5
207.05424	12.2
207.07254	1.0
208.95998	0.6
215.09924	0.6
219.02034	5.0
220.02170	0.7
223.09720	1.0
224.08058	43.9
225.08379	0.7
229.08507	0.8
233.03644	2.2
237.10756	0.9
242.09135	1.1
255.11943	2.0
259.01758	2.7
259.99896	0.5
261.03134	3.1
273.03067	1.0
273.13013	2.0
274.13260	1.0
277.02805	2.7
278.00925	0.8
284.11725	2.5
300.98099	0.5
301.02551	3.2
301.14673	16.4
301.17899	2.6
302.12601	5.3
302.15701	0.9
319.03461	1.4
319.15396	97.6
320.15945	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	301.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38977	2.0
53.84503	2.1
55.01874	3.6
55.05514	14.0
56.05033	7.4
57.03417	2.6
57.07069	6.6
58.99578	7.3
61.01141	3.7
67.05509	6.8
68.05027	4.7
69.07082	3.6
71.04976	2.0
71.08636	7.1
71.30341	2.5
72.04530	2.7
72.08155	80.4
74.00674	4.4
79.05486	29.1
80.05029	7.5
80.05836	2.1
81.07059	39.3
82.06586	13.2
82.07359	2.6
83.04985	2.7
84.08138	9.5
85.01126	53.2
86.00650	39.3
86.09705	2.6
87.02688	2.8
91.05478	6.0
93.07042	8.1
94.06568	7.7
95.04990	4.7
95.08616	10.9
96.08122	11.7
97.01119	3.0
97.08900	6.4
98.09696	21.9
98.97590	4.1
100.02219	3.7
105.07025	10.4
107.08597	4.1
109.08915	2.8
110.09682	12.9
113.04239	55.3
118.08667	9.7
119.08555	6.3
122.09672	15.1
123.10448	4.2
126.09145	45.5
127.08681	5.8
131.08612	2.7
133.10201	2.0
139.05772	7.6
141.12694	5.0
145.10124	4.5
154.08670	11.1
156.08421	100.0
158.06374	22.9
172.09644	23.5
185.07462	6.8
198.14899	9.7
202.05441	2.2
204.06985	2.8
208.32890	2.5
219.08072	10.5
231.07961	4.6
255.15254	10.8
282.27905	14.2
283.28259	16.8
284.13129	5.8
300.29071	21.8
300.32446	3.5
301.15622	66.2
301.21674	6.1
301.29272	27.2
302.16187	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.3
55.01880	25.2
55.02116	5.3
55.05507	30.1
56.05067	4.5
57.03439	53.4
65.03961	4.3
67.05506	100.0
69.03450	5.0
69.07078	25.8
69.27351	23.5
70.06606	8.1
71.05009	9.4
72.08159	59.1
73.08500	13.6
79.05496	92.9
79.05956	4.7
81.03429	18.0
81.07061	70.7
82.35985	4.9
83.04991	49.8
83.08611	5.7
84.04533	11.5
84.08148	9.2
85.06538	8.6
91.05490	51.9
93.07056	96.1
95.04974	30.2
95.08620	40.5
97.06551	27.9
98.23343	9.8
98.97618	9.2
99.04496	13.0
103.05499	6.6
105.07027	26.3
107.04960	72.2
107.08601	43.1
109.06509	11.9
109.10169	6.7
111.04455	54.4
111.08090	15.9
113.18558	4.4
114.09152	8.6
117.07039	22.4
119.08598	30.6
120.16433	4.6
120.35409	5.0
121.06562	7.2
121.10149	70.0
125.05997	8.7
129.07047	7.8
130.07863	5.8
131.08618	16.1
135.08060	5.0
135.11694	73.5
135.12561	7.2
136.11989	5.0
145.06494	21.2
145.10123	70.9
147.08096	6.7
149.09660	14.3
153.12764	32.7
155.08629	21.7
163.11179	92.4
163.12459	5.5
173.09634	50.8
181.12254	41.3
191.10670	62.0
209.11700	34.3
227.12810	45.0
283.15500	18.0
301.07178	8.8
301.13983	13.8
301.16718	83.8
301.22064	38.3
301.25690	12.1
302.16794	6.1
302.23294	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	301.1797
Annotation	6alpha-Hydroxyandrosta-1,4-diene-3,17-dione
Peak:m/z	Relative Intensity
50.14066	0.8
53.03939	1.2
53.28489	0.8
55.01872	4.6
55.05519	5.0
56.45984	0.7
57.03436	5.1
65.03973	1.0
67.05505	15.7
69.03425	3.6
69.07069	5.0
69.35051	3.6
70.06603	1.9
71.04999	1.7
72.08158	1.3
79.05493	17.5
81.07058	16.6
83.04977	10.7
83.08613	2.5
85.02916	1.6
85.06557	1.4
86.09729	1.1
91.05482	20.9
93.07044	21.5
95.04964	4.6
95.08609	23.1
97.06543	7.6
98.23453	0.7
98.44720	0.7
99.04445	1.4
103.05422	0.8
105.03408	2.5
105.07031	15.4
107.04972	2.9
107.08592	14.8
109.06529	4.5
109.10144	6.8
111.04449	15.7
111.08060	5.9
115.05496	2.4
117.07005	9.9
118.44447	0.7
119.04959	2.1
119.08585	16.2
121.06537	5.6
121.10120	5.9
123.08088	2.3
125.06023	1.6
128.06232	2.4
129.06996	7.1
130.07845	1.2
131.04842	0.9
131.08574	7.7
133.06523	1.5
133.10123	4.6
135.04500	1.7
135.08060	9.8
135.11703	7.5
137.06038	1.9
137.09636	4.7
139.07584	0.9
141.06966	4.4
142.07784	2.8
143.08575	9.8
144.08096	0.8
145.06522	3.4
145.10123	12.0
145.11119	1.1
146.07205	1.2
146.10538	0.9
147.08049	8.7
147.11671	5.3
149.05952	0.7
149.09602	4.0
151.07613	0.8
153.07024	1.4
153.12714	6.3
154.07742	1.0
155.08537	8.2
156.09311	1.1
157.06526	2.8
157.10118	9.6
158.07390	0.9
159.08073	3.3
159.11717	5.2
161.06003	1.5
161.09601	10.1
161.10689	0.9
161.13297	1.0
163.07607	3.2
163.11174	14.1
165.07030	2.8
165.09166	2.1
166.07814	1.9
167.08604	3.2
169.06514	1.1
169.10149	6.0
171.08017	4.5
171.11661	3.8
173.05995	2.2
173.09619	6.7
173.13275	2.3
175.07567	3.7
175.11180	5.6
175.12442	0.7
177.09161	1.6
177.12779	1.0
178.07907	1.3
179.08530	4.3
180.09370	2.0
181.06554	0.9
181.10155	7.4
181.12282	13.6
182.10976	1.5
183.08122	3.0
183.11639	3.7
185.09622	6.9
185.13274	2.7
186.10381	1.0
187.07555	1.7
187.11183	5.3
189.09158	2.5
191.10675	12.1
192.09349	2.1
192.10992	1.3
193.10190	3.2
194.10910	1.9
195.08122	2.8
195.11670	7.6
196.08896	1.4
196.12538	1.2
197.09671	3.8
197.13266	6.3
198.10400	1.6
199.11147	6.5
199.14882	2.9
201.09126	1.2
203.08890	1.3
203.10597	6.1
205.10222	0.9
205.12341	0.9
207.11748	4.5
208.12476	0.8
209.09694	3.7
209.11688	3.0
209.13365	5.7
210.10463	3.1
211.11238	3.6
211.14836	1.1
212.12038	1.2
213.09084	1.5
213.12724	5.0
213.16588	1.2
215.14368	1.6
217.10184	0.9
217.12270	1.3
217.15897	1.0
219.11819	0.9
221.09679	1.0
222.10455	1.1
223.11125	4.1
223.14865	2.1
224.12025	3.1
225.12746	19.2
225.14850	1.2
226.13353	2.0
227.10756	1.0
227.12737	8.7
227.14723	9.6
227.17746	4.7
228.14749	1.1
232.12486	0.9
235.11275	1.6
235.14771	1.0
236.11845	1.5
237.12770	7.0
237.16357	9.9
239.14325	2.1
241.12288	1.6
241.15976	2.9
243.13898	2.6
245.11812	1.1
245.15459	1.3
247.14886	2.0
250.13647	2.9
253.15959	2.0
255.11336	5.0
255.13892	5.3
255.17455	19.7
259.17062	4.0
265.15842	16.9
266.16525	0.9
273.15192	2.0
273.18463	23.3
274.18735	1.8
283.16937	43.2
284.17361	2.8
286.04791	0.9
301.11273	2.3
301.18045	100.0
302.18320	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	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
50.15142	0.2
55.01877	0.2
55.05513	4.0
57.07066	0.6
58.06590	0.3
64.57557	0.2
67.05491	0.6
69.07068	3.7
69.97965	0.7
70.06592	0.3
71.05005	0.2
71.77306	0.2
79.05495	0.4
80.40966	0.2
81.07059	2.2
83.08620	3.5
88.07619	0.3
91.05482	0.6
92.04537	0.2
93.07040	0.3
95.04971	0.2
95.08612	1.4
97.10191	0.3
105.07026	0.8
106.08698	0.2
107.04942	0.7
107.08589	0.3
108.09326	0.2
109.10136	0.3
113.09614	0.2
115.05481	0.2
117.07018	0.3
119.08559	0.5
121.02860	0.7
121.06495	0.5
121.10127	0.4
121.27399	0.2
123.10801	0.3
123.11704	5.2
129.07019	0.3
131.08559	0.6
133.06465	0.9
133.10141	0.2
143.08594	0.3
144.05753	0.3
145.06470	2.0
145.10103	0.4
147.08047	2.6
147.11710	0.2
149.09648	0.9
155.08696	0.3
157.06477	1.5
157.10132	0.3
159.08073	1.5
159.11707	0.3
161.05995	0.4
161.09619	1.3
163.07542	10.1
163.11177	0.7
167.08502	0.4
170.07190	0.3
171.06598	0.4
171.08061	7.0
172.08479	0.3
173.09610	1.5
175.07510	0.8
175.11220	0.5
177.09038	0.4
177.12654	0.2
181.10123	0.2
184.08789	0.2
185.09619	3.1
185.11177	0.2
187.11124	1.0
189.09103	0.7
189.12677	1.0
191.10680	0.6
197.09662	0.4
198.10367	0.7
199.11177	3.0
200.11494	0.2
201.12761	0.8
203.10696	0.8
203.14421	0.3
204.11346	0.3
205.12242	4.9
213.12744	7.9
214.13182	0.5
215.10799	0.3
215.14284	1.3
217.12251	0.7
219.13823	0.2
223.14790	0.3
225.12730	0.3
227.14371	1.4
231.13782	0.2
240.15253	0.3
241.15894	1.7
259.16946	10.2
260.17307	0.5
266.28400	0.5
283.20547	0.5
284.29300	0.3
301.21619	100.0
302.21964	7.0
302.30719	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	302.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05521	2.4
56.05034	1.7
57.03431	1.4
57.56541	0.4
58.06602	16.8
59.05014	0.4
61.02922	2.3
67.05513	3.4
69.03432	2.8
69.07063	2.9
70.06594	3.8
70.75956	0.9
72.08158	4.8
73.02920	0.5
75.05608	0.9
79.05492	1.9
81.03424	1.5
81.07054	5.2
82.06589	0.6
83.04997	0.6
83.08642	0.9
84.08131	1.9
85.02909	19.8
85.06517	0.6
86.09708	64.5
87.04459	0.6
87.10052	1.4
88.07634	0.6
89.75454	0.3
91.03953	1.1
91.05477	1.6
93.07047	2.9
95.04982	0.4
95.08611	3.0
96.08139	2.7
97.02900	4.5
97.06517	0.6
98.09692	0.4
98.97559	0.4
99.04433	0.8
100.07593	0.8
100.18150	0.3
105.07031	2.8
107.08601	1.5
108.08102	0.5
109.02911	1.6
109.06519	0.5
109.10173	0.7
110.07164	1.1
110.09679	0.8
114.09165	2.4
119.08595	1.0
120.08116	0.4
121.10124	0.9
123.08075	0.3
125.02346	1.2
127.03908	3.7
130.06564	0.5
130.08659	0.4
131.08542	0.4
132.08150	0.5
132.10193	6.6
133.10165	1.1
135.08090	0.3
135.11708	0.6
143.11801	42.1
144.12126	0.7
145.04964	9.7
147.11705	0.4
152.03415	0.6
153.01819	0.6
159.09192	0.5
163.06052	2.3
163.07172	0.4
165.01865	0.4
169.07632	0.4
170.04562	0.7
170.05934	0.5
171.11302	9.5
173.92679	0.3
182.15433	1.1
196.68556	0.4
200.16541	0.5
222.22171	1.0
224.20155	0.7
238.10753	1.2
240.19673	1.3
248.20197	1.5
257.04538	0.5
266.21130	8.7
284.19135	0.8
284.22189	13.1
285.22614	0.5
302.23257	100.0
303.04980	2.9
303.23517	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	302.1963
Annotation	Floridimine
Peak:m/z	Relative Intensity
53.23931	0.5
55.05503	1.5
56.05029	0.6
57.05802	0.4
58.06600	16.4
59.06928	0.4
67.05489	0.6
69.07067	1.8
69.21588	1.7
69.21992	0.7
70.06592	4.4
71.04990	0.8
72.08156	21.6
73.06549	0.7
81.03428	0.4
81.07046	0.8
83.07360	5.0
84.04500	0.5
84.08144	6.4
86.09706	35.2
87.10026	0.7
91.05410	0.4
93.07016	0.6
95.04932	0.4
95.08586	0.5
95.87312	0.3
96.08126	0.6
96.94381	0.3
97.08899	1.1
98.31403	0.3
100.07613	0.7
110.07169	1.0
110.09669	4.5
118.08649	1.6
122.09686	2.3
124.11227	11.6
129.10234	0.4
132.10216	0.7
140.10692	6.0
141.11493	8.8
142.12230	0.5
143.11815	5.7
144.06573	0.5
157.13374	4.4
158.11765	100.0
159.12132	2.3
171.11310	2.4
185.12862	4.3
185.16438	2.0
189.12314	3.0
199.18103	3.7
203.13887	0.5
213.16045	0.9
227.17555	0.9
240.19589	0.8
257.89484	0.4
258.17044	1.4
275.01865	0.3
284.18622	1.9
284.22162	0.9
302.19623	92.1
302.23032	6.7
303.20001	4.6
303.23209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1963
Annotation	3-hydroxy-cis-5-octenoylcarnitine
Peak:m/z	Relative Intensity
56.05032	0.8
58.06601	1.5
66.11613	0.2
67.05511	0.3
68.05014	0.4
69.03428	0.3
69.07055	1.6
69.48227	1.1
69.49266	0.2
69.53156	0.2
70.06587	1.4
72.08157	2.5
82.06572	0.7
84.04480	0.3
84.08146	4.4
86.06072	1.1
86.09705	13.0
95.04969	0.8
96.08125	1.1
98.06094	0.3
98.09689	1.9
108.08113	9.8
110.07155	1.0
110.09687	0.3
112.08664	0.3
122.09593	0.2
124.07539	0.2
126.09150	17.2
127.09486	0.4
128.10715	2.0
129.10228	0.3
130.08644	0.4
144.10191	100.0
145.10539	2.3
158.11714	0.4
185.16443	1.6
189.12279	0.7
199.18073	2.4
227.17479	0.4
284.18671	0.3
292.66174	0.2
299.65933	0.2
302.19586	44.8
303.19925	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	302.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17055	0.4
55.01883	0.6
55.05510	1.1
56.05035	2.2
57.03448	0.7
58.06600	100.0
58.49754	0.3
59.06943	1.0
67.05511	1.8
67.90334	0.3
69.07059	1.2
69.50458	2.0
70.06593	4.0
71.04987	2.2
72.07757	0.8
72.08157	15.4
79.05508	1.7
81.03444	0.5
81.07056	2.0
82.06593	0.9
84.04489	0.4
84.08154	1.6
86.09718	4.0
88.07647	0.9
91.05476	1.7
93.07034	2.3
93.24363	0.4
95.05003	1.1
95.07354	0.5
95.08615	2.8
96.08130	0.7
97.06554	0.7
98.22647	0.4
99.04470	0.9
99.46364	0.3
100.89870	0.4
102.50813	0.3
105.07026	0.9
107.04981	0.4
107.08616	0.8
108.08136	1.6
109.06562	0.5
110.07166	1.1
110.09682	8.8
111.08079	0.5
112.11234	0.5
113.05998	1.6
113.07202	0.4
114.65774	0.4
117.07087	0.5
119.08613	0.8
120.01700	0.3
120.08072	0.6
123.04482	0.7
123.08068	0.4
124.11263	0.7
126.12848	0.5
128.10718	2.2
131.08534	0.7
133.10152	0.6
141.05460	0.6
143.11812	1.3
147.11707	0.6
149.09653	0.4
151.07426	0.3
158.11792	1.6
159.06554	0.9
161.09547	0.4
170.06082	0.6
171.11481	0.7
184.07146	0.8
189.12842	0.4
222.18599	1.2
224.16527	0.8
235.13364	0.9
240.19543	3.5
258.20676	2.3
266.17618	0.8
266.21231	0.8
284.18619	3.6
284.22156	1.7
302.19675	72.5
302.23209	15.5
303.20038	3.4
303.23593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
56.05041	1.2
57.03441	1.2
57.07068	0.6
58.06601	25.1
62.92283	0.6
67.05503	5.8
69.07066	15.5
69.07421	1.2
69.78401	1.2
69.78790	1.5
70.06590	9.3
71.04984	1.7
72.08155	9.7
73.06576	0.9
75.05598	2.0
79.05499	3.4
81.07056	10.5
82.06580	0.6
83.08610	0.7
84.08148	2.8
85.08918	1.2
86.09702	100.0
87.10035	2.1
91.05488	2.0
93.07035	3.5
95.04990	1.0
95.08599	8.6
97.06528	1.9
98.09697	1.5
98.23296	0.7
105.07027	1.5
107.08610	1.9
109.10136	1.1
110.09643	3.2
119.08584	2.1
121.10123	1.7
123.08055	0.6
125.06038	0.6
130.46252	0.6
132.10201	8.9
133.10132	1.3
135.11647	1.0
143.07051	1.6
143.11777	12.7
147.11714	1.0
171.11290	8.6
175.14822	1.2
189.12354	8.7
221.15428	1.1
222.22166	14.0
224.16632	0.8
224.20100	13.8
240.19611	1.1
240.23227	1.7
242.21127	0.9
248.20102	1.2
266.21094	2.3
277.71524	0.6
284.19186	1.2
284.22177	31.5
285.22571	1.7
302.19577	18.0
302.23157	84.6
303.04898	0.9
303.20074	1.2
303.23416	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	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.03949	0.6
53.72007	0.5
55.01866	0.6
55.05514	3.8
56.05034	1.0
57.03428	0.7
58.06600	4.7
58.36348	0.4
62.18501	0.4
65.46626	0.4
67.05505	5.6
68.05002	0.6
69.07073	8.0
69.61334	1.5
69.61755	0.8
70.06597	7.6
72.08163	4.8
74.06090	1.0
74.29043	0.4
75.05608	7.9
78.50747	0.4
79.05487	4.4
80.04998	0.4
81.07063	7.7
82.06589	2.0
84.08155	1.6
85.06509	0.5
85.08955	0.5
85.54540	0.4
86.09708	97.5
87.10040	1.5
91.05470	1.7
93.07051	4.0
94.06599	1.1
95.08608	6.1
96.08134	12.4
96.46222	0.4
97.06494	1.0
97.08935	0.7
98.09701	1.9
105.07032	1.0
107.08595	2.1
109.06554	0.5
109.10138	1.4
110.07172	1.3
110.09676	0.7
114.09174	13.6
116.21743	0.4
119.08586	1.1
121.10147	1.0
123.08031	0.8
124.11253	0.6
129.10233	0.5
130.06590	0.5
131.08565	0.7
132.10202	10.3
133.10188	0.6
135.11736	0.7
138.12733	0.8
143.11798	60.0
144.12164	1.2
147.11742	0.5
159.09195	0.6
171.11290	14.8
175.14697	0.6
180.98148	0.4
189.12300	2.8
192.82515	0.4
201.97704	0.4
203.14325	0.6
221.15309	0.9
222.22134	3.6
224.20142	3.8
240.23294	0.7
242.21046	0.6
245.18539	0.7
248.20126	5.8
266.21155	21.3
267.21442	1.0
284.22208	24.6
285.22543	1.3
302.23254	100.0
303.23627	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.01115	0.3
55.05508	1.0
58.06594	0.9
59.34929	0.3
65.03963	0.3
67.05518	1.8
68.38907	0.3
69.07065	1.6
70.06602	2.6
70.13712	0.7
72.08145	1.2
72.23843	0.3
75.05593	1.0
76.40867	0.3
79.05482	1.2
79.58959	0.4
81.07053	2.7
84.08144	0.7
86.09704	100.0
87.10007	1.8
91.05469	0.7
93.07050	1.2
95.08591	1.9
96.08129	2.1
98.09703	0.7
98.22560	0.3
107.08580	0.9
110.07169	0.6
114.09155	2.3
115.09504	0.7
119.08540	0.4
119.87584	0.4
121.10143	0.9
130.06506	0.3
130.08586	0.4
131.06888	0.7
132.10207	9.5
143.11795	69.2
144.08101	1.1
144.12086	1.8
145.08426	1.2
171.11290	16.9
220.20638	0.4
222.22189	1.5
224.20032	0.8
245.18649	0.5
248.20032	0.5
249.18456	0.4
258.39120	0.4
266.21167	3.2
284.22177	6.7
302.23267	19.7
303.23615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05511	6.6
56.05048	1.3
58.06600	7.4
67.05520	1.0
69.07018	1.3
69.89632	2.8
70.06587	5.0
72.08157	100.0
73.08470	0.8
74.06071	2.1
83.07349	0.9
84.08138	4.1
86.09708	74.3
87.10048	2.0
90.74128	0.8
93.07082	1.3
100.07696	0.9
118.08646	2.3
124.11269	1.4
132.10233	8.3
137.55753	0.8
140.10675	0.9
141.11493	2.0
141.57704	1.0
143.11801	36.6
157.13373	34.1
158.10567	1.7
158.11765	14.0
166.25691	0.9
171.11290	20.3
173.03868	0.7
176.37025	0.9
185.12856	12.9
185.16460	1.2
186.51079	0.9
189.12317	1.4
203.13977	7.1
215.98573	0.9
222.22139	0.9
224.20102	3.2
231.17079	2.9
240.23361	1.2
266.20892	1.4
284.19153	1.0
284.22208	3.8
302.19571	14.4
302.23221	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
56.05037	3.5
56.96569	1.5
58.06603	15.1
60.04528	4.1
60.05648	6.2
67.05498	1.6
68.05048	1.0
69.07084	3.6
70.04949	1.2
70.05318	1.7
70.06593	67.1
71.04999	1.1
71.06926	1.2
72.08154	20.3
74.06052	0.9
79.05522	1.1
81.07057	0.8
82.06563	1.9
83.06107	2.2
84.04501	2.6
84.08142	36.9
85.02890	0.8
85.08482	1.6
86.06086	1.5
86.09706	100.0
87.05582	1.8
87.10033	2.3
88.04008	0.8
93.04527	1.4
94.06590	0.9
95.04967	3.2
95.06091	1.7
96.08123	3.2
96.49445	0.7
97.06536	1.3
97.07658	1.0
98.06057	2.8
98.09693	2.0
100.07600	1.1
102.05546	0.9
102.09187	1.0
108.08107	8.2
110.07159	16.7
110.09651	6.0
112.08720	8.1
113.06036	1.2
115.08689	4.1
115.12396	1.0
116.07074	4.5
122.06039	3.3
126.09156	13.7
127.08691	1.2
128.07068	1.6
128.10718	37.0
129.10249	10.6
129.11078	1.0
130.05031	1.2
130.07668	1.5
130.08647	28.8
138.06630	1.5
140.08214	1.3
141.10240	2.2
143.11832	0.8
144.10199	72.0
145.10529	2.2
147.11282	5.4
154.94176	0.8
155.08154	1.5
156.07751	1.5
156.11330	15.6
157.09703	5.1
158.08174	1.4
159.11295	1.8
165.13884	0.9
170.06139	1.7
171.05896	1.1
172.10812	39.4
172.95271	1.8
173.09293	1.5
173.11171	0.8
175.11884	0.8
183.11334	0.8
183.14977	2.2
185.09221	2.3
186.12370	2.1
187.10895	0.9
189.13547	4.8
200.13963	1.7
201.12193	0.9
204.29221	0.8
215.13950	7.3
231.33244	0.8
242.18625	1.3
243.17033	2.3
246.18170	1.3
247.18382	0.8
253.16687	3.0
266.17670	0.9
268.21844	0.8
270.19211	1.0
284.18646	2.8
285.13257	0.9
285.19211	8.1
302.00821	1.3
302.19406	37.8
302.21945	93.9
303.10806	1.0
303.14468	1.9
303.19656	1.4
303.22156	3.6
303.31552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05512	5.6
56.05031	1.3
56.05281	0.7
57.03016	0.8
57.03428	1.3
58.06594	3.1
65.03928	0.8
67.05505	15.6
69.07072	8.4
69.90488	0.7
69.90827	2.4
70.06593	13.6
72.08170	3.6
75.05615	3.3
79.05495	7.9
81.03416	1.2
81.07059	17.0
82.06568	1.3
82.07354	0.8
83.04984	1.2
83.08625	2.4
84.08139	1.9
85.06544	1.4
86.09707	34.2
87.10037	1.2
91.05489	4.3
93.07045	9.5
95.08609	12.9
96.08131	6.7
96.38277	0.7
96.87395	0.6
97.02877	0.9
97.06498	1.3
98.09658	1.6
100.53521	0.6
100.75166	0.6
101.06049	0.9
105.07022	4.8
107.08585	6.8
108.08163	0.7
109.10191	4.0
110.07172	1.5
110.83739	0.6
111.04425	1.0
111.08063	1.0
114.09162	4.6
119.08597	3.8
121.10149	5.8
123.11705	2.4
124.03990	0.9
125.02368	3.1
130.08611	0.8
131.08601	1.6
132.10226	4.1
133.10110	4.0
135.11693	2.9
137.09608	0.8
137.13208	0.8
138.12749	0.7
143.11798	17.1
145.10045	1.1
147.11690	3.8
147.12718	0.8
149.13254	1.8
151.11224	1.8
152.03468	1.4
153.01761	1.0
161.13202	1.1
163.11119	1.0
165.12782	1.6
167.10712	0.7
170.04492	0.8
171.11304	4.5
175.14819	0.9
182.15425	2.6
189.12494	1.0
203.18031	1.9
213.16426	1.5
220.20619	3.2
222.22147	10.9
223.22702	0.7
224.20079	3.0
231.17442	1.4
238.10757	2.1
238.18056	0.7
238.21700	1.1
240.23366	0.9
248.20032	3.0
249.18471	3.4
256.09671	1.3
266.21152	14.5
267.11404	1.0
284.22205	52.3
285.12354	1.9
285.22519	2.3
302.23257	100.0
303.23584	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	302.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20841	0.6
55.05503	1.7
56.12394	0.5
57.03430	2.2
58.06601	8.7
67.05500	5.6
69.07068	13.6
70.06593	7.9
70.46777	1.2
72.07753	1.0
72.08154	19.0
73.06550	1.1
75.05634	0.6
79.05487	6.7
80.63106	0.6
81.07057	14.6
82.06549	0.6
84.08147	4.2
85.08911	2.5
86.09704	43.6
87.72665	0.6
91.05482	2.5
93.07043	5.7
95.08608	13.2
96.08120	0.9
97.06538	2.6
98.09704	1.9
100.04008	0.6
105.07026	1.9
107.08614	3.1
107.09183	0.5
109.10172	0.6
110.07170	1.5
110.09653	0.7
119.08592	2.9
120.08105	0.7
121.10146	2.0
124.11230	0.9
125.05978	1.9
132.08052	1.0
132.10233	3.6
133.10127	2.2
143.07043	2.4
143.11786	5.2
147.11728	1.2
149.09570	0.7
159.09250	1.0
159.79724	0.7
161.13234	0.7
171.11299	3.9
175.14806	4.0
185.13237	1.1
189.12294	4.1
196.09981	0.8
203.14305	3.4
221.15334	2.5
222.22150	7.7
224.09433	1.2
224.20135	8.4
239.11858	1.7
239.16351	1.1
240.23230	1.4
248.20178	0.8
266.21063	2.0
267.11267	6.4
272.04404	0.8
284.22189	48.3
285.12384	5.7
285.22455	2.1
291.50122	0.6
302.23239	100.0
303.13577	0.6
303.23703	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	302.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.5
56.05042	1.1
56.95613	0.5
57.03423	0.5
58.06591	2.2
58.64754	0.5
61.10390	0.5
63.32153	0.5
67.05504	4.8
69.07069	5.0
69.13947	3.9
70.06587	6.9
72.08152	2.1
74.06063	0.6
75.05599	4.9
79.05494	4.5
81.07050	6.5
82.06579	1.4
84.08134	1.0
85.06544	0.8
86.09701	47.9
87.10034	1.2
91.05478	1.0
93.07041	3.0
94.06545	1.1
95.08587	4.7
96.08126	15.4
97.08900	1.8
98.09704	3.5
98.23378	1.0
105.07046	0.7
107.08586	1.6
109.08952	0.7
109.10140	1.4
110.07172	0.9
110.09638	0.8
114.09161	13.6
119.08575	0.9
121.10168	0.7
124.11255	0.5
124.99474	0.6
132.10202	4.6
133.10123	0.9
143.11792	36.3
144.12120	1.0
171.11298	7.7
189.12347	1.2
222.22160	1.9
224.20093	2.5
248.20056	6.2
249.20476	0.7
250.37021	0.5
255.92906	0.6
266.21133	26.3
267.21454	1.7
284.22195	19.3
285.22668	1.1
288.75223	0.5
302.23239	100.0
303.23529	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	302.2326
Annotation	CHEBI:84843
Peak:m/z	Relative Intensity
51.46322	0.4
52.74744	0.4
55.05519	2.1
57.03435	0.8
58.06596	2.1
67.05505	7.1
69.01674	0.4
69.07067	2.3
69.85384	0.8
69.85775	0.8
70.06594	15.5
73.25330	0.6
79.05486	3.2
81.07057	8.7
82.06562	1.0
83.08607	0.9
84.08143	0.9
85.06530	0.6
86.09692	2.2
91.05481	1.4
93.07040	3.9
95.08612	5.9
96.08130	1.3
97.08926	0.5
97.10148	0.4
98.09682	1.5
105.07059	0.6
107.08575	2.3
109.10152	1.6
110.09842	0.5
110.80316	0.4
119.08533	0.6
121.10117	1.0
183.53191	0.4
222.18967	0.5
222.22180	24.0
223.22498	1.6
224.20099	28.0
225.20496	0.9
240.23230	2.8
242.21198	2.0
248.20053	2.9
249.49863	0.5
250.43178	0.4
266.21194	3.2
284.22202	27.0
285.22513	1.7
302.23254	100.0
303.23544	5.2
308.17279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21946	0.4
53.03948	0.8
55.05511	2.3
56.05030	1.9
57.03433	1.4
57.05836	0.5
58.06600	19.1
60.05658	0.4
61.02924	0.6
65.71858	0.5
67.05506	4.3
69.03432	2.6
69.07068	3.8
69.68204	1.2
70.06602	4.7
70.91920	0.5
72.08155	4.5
73.02913	0.4
75.05630	0.7
75.23840	0.5
79.05483	2.5
81.03421	1.8
81.07055	6.3
82.06598	0.9
83.08607	0.7
84.08130	1.4
85.02905	9.6
85.06552	0.7
86.09706	71.8
87.10047	1.3
88.07608	0.6
91.03962	0.6
91.05479	1.3
93.07029	2.9
95.08610	3.1
96.08141	3.4
96.79912	0.4
97.02889	3.3
97.03988	0.4
97.06514	1.0
98.09711	1.0
99.04498	0.6
100.07594	0.6
105.07008	2.0
107.08599	1.6
109.02867	0.9
109.10134	0.9
110.07185	2.3
110.09682	0.8
114.09180	2.5
119.08582	1.1
121.10143	1.5
124.03962	0.5
125.02354	4.8
127.03104	0.5
127.03844	2.5
129.07059	0.5
130.06535	0.8
131.08582	0.9
132.10205	7.6
132.11147	0.7
133.10162	1.3
135.11754	0.7
137.02292	0.6
140.10736	0.5
143.11792	40.5
144.08043	0.6
144.12120	1.2
145.04951	3.4
147.11734	0.6
152.03462	1.6
153.01808	2.4
159.09120	0.6
163.06108	0.8
169.07628	0.6
170.04498	0.8
170.05998	0.6
171.11281	9.4
182.15428	1.5
187.08769	0.6
192.10312	0.5
200.16539	1.0
220.09686	0.5
220.20625	0.6
222.22223	1.7
224.20140	1.0
229.05002	0.8
238.10696	3.3
240.19630	1.8
241.01315	0.5
245.18668	0.6
248.20088	1.6
256.11844	0.6
257.04294	0.5
266.21158	12.1
267.21613	0.6
284.22198	14.8
285.22519	1.0
302.23248	100.0
303.04984	7.3
303.23578	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3054
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.07053	1.8
53.59427	1.9
55.05514	36.1
56.05033	7.3
57.03439	23.4
57.07076	26.9
57.44199	1.6
58.06601	6.2
60.08712	1.6
67.05505	47.5
69.07068	45.4
69.07423	3.4
69.68620	8.3
70.06590	38.0
70.06961	2.6
71.04991	1.7
71.08634	15.8
72.08162	2.8
74.06076	14.1
79.05486	6.1
81.07056	92.8
83.08620	38.2
84.08142	6.7
85.06556	5.3
85.10182	9.0
86.09716	6.7
87.02702	2.9
88.07636	15.5
91.05473	2.4
93.07067	5.2
93.43715	2.0
95.08606	87.7
97.10169	35.2
97.17853	1.7
98.22661	2.5
99.08080	2.1
106.08701	9.8
109.10153	56.3
110.07172	2.8
111.11728	12.2
116.01665	1.7
116.05300	2.8
121.10133	1.9
123.11707	19.3
128.81537	1.7
130.05058	2.3
137.13272	5.4
142.15891	2.2
145.10069	2.3
151.14674	1.8
156.11342	2.0
165.16368	2.1
172.10872	2.8
184.13966	1.9
184.20650	2.7
193.19603	2.7
197.19087	2.3
198.22174	2.1
200.14650	5.6
200.16502	4.7
242.24802	2.7
249.25769	11.5
262.48502	2.0
266.28418	93.9
267.26611	16.9
267.29227	2.5
284.29471	100.0
285.29831	5.1
286.14584	2.4
302.21902	8.1
302.26932	13.0
302.30527	50.5
303.04965	3.4
303.17300	4.8
303.30811	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	302.907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.6
55.37630	2.6
56.05025	5.9
56.96566	5.9
57.03414	3.3
58.06602	22.2
60.05639	10.3
60.99623	3.1
64.81671	3.4
67.01685	2.3
67.05496	3.4
69.96460	10.8
70.06592	59.4
71.04972	5.4
72.08156	47.0
74.02434	2.7
74.68849	2.4
80.56085	2.6
81.04536	8.8
81.07044	3.4
84.04504	10.1
84.07639	4.8
84.08145	100.0
84.40719	2.8
85.02892	6.0
86.09708	21.7
94.93015	52.9
98.09696	3.2
98.97591	5.3
99.50338	2.5
101.00896	5.5
102.05553	3.7
102.09214	6.7
103.02441	7.0
108.08105	8.5
109.91709	3.6
110.07162	10.5
112.08747	7.6
113.00936	4.0
115.02444	3.2
115.08704	4.6
116.07070	12.4
119.01894	10.9
121.01640	4.7
122.07144	6.6
124.11195	3.6
126.09157	15.7
127.08631	3.4
128.10712	11.8
129.06589	3.4
129.10239	49.6
130.04980	5.2
130.08633	6.2
131.01874	8.4
133.03432	24.5
138.12796	2.9
140.07132	4.4
140.08170	24.6
141.03952	3.6
141.06639	3.4
144.09090	5.6
144.10194	70.0
145.03481	3.9
145.10539	6.4
147.11263	7.3
151.04527	8.4
157.03465	4.6
158.09209	5.2
159.05048	6.3
163.03922	3.7
175.02869	2.8
175.11945	13.8
175.96350	4.4
183.11411	4.0
183.14967	6.2
185.02956	4.6
185.04681	4.6
185.09230	7.9
185.16484	4.6
191.03940	5.0
200.14003	6.2
201.02472	6.7
201.04268	4.2
203.10114	4.0
213.06050	9.5
215.03926	3.0
217.05473	6.8
219.01530	5.8
219.03577	5.4
228.17203	4.1
229.03757	5.3
232.93776	53.5
240.13380	4.7
241.05544	9.5
243.01799	3.6
258.91730	61.1
259.06613	23.3
284.89539	8.0
302.13480	10.7
302.19669	61.2
302.22894	4.2
302.90662	10.8
303.05386	5.8
303.08304	10.7
303.10806	9.4
303.17023	22.0
303.20566	29.2
304.17532	3.9
304.21112	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	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	44.7
58.06598	2.3
67.45750	1.0
70.06589	4.1
70.69150	1.2
71.95246	1.4
72.08154	1.4
72.96044	0.7
76.74242	0.7
83.97620	1.6
84.04510	0.8
84.08138	2.7
86.09700	1.6
97.99181	1.3
98.97583	14.8
108.08103	1.9
109.85694	0.6
110.07178	4.8
116.07079	1.0
116.98609	10.0
123.90405	0.7
126.09145	1.8
127.09475	0.7
129.10286	0.9
132.08073	4.5
134.99628	3.6
144.10185	9.7
144.96788	0.8
145.10542	1.9
149.02621	1.1
167.03787	2.3
174.02269	28.8
174.31017	0.7
175.02666	0.7
175.11946	2.3
188.03795	5.1
192.03316	47.5
193.03604	1.8
202.01738	1.8
204.03351	3.0
206.04903	10.8
207.02057	1.9
208.02731	1.5
210.04402	6.9
210.16692	0.7
211.02028	0.8
215.04935	16.5
216.03282	1.1
217.04843	0.7
217.06554	6.5
218.01250	1.0
220.02776	4.8
222.04395	5.0
224.05983	1.4
225.03056	0.7
229.02835	3.6
231.04370	2.9
233.05981	12.5
235.07549	7.9
236.02330	1.8
238.03868	2.3
240.05345	1.0
243.04404	5.6
247.03931	4.6
249.05386	1.6
258.04416	3.7
261.05469	100.0
262.05756	2.2
265.04956	0.9
276.05426	2.3
279.06531	67.6
280.06863	2.7
284.07056	2.5
302.19638	5.0
302.22604	1.0
303.06403	2.6
303.20172	2.5
304.21140	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31469	3.4
56.96566	4.4
58.02707	3.6
60.05669	7.0
63.36263	3.3
69.30179	4.2
69.31821	26.0
70.06586	32.1
72.08172	24.1
84.04498	7.3
84.08145	41.0
86.09692	4.5
94.29150	3.4
94.93013	100.0
99.04477	3.5
103.02480	6.2
109.91721	4.7
110.07177	5.0
112.08661	4.6
116.07121	7.3
129.10239	29.3
130.08636	3.4
133.03494	14.8
141.03972	3.9
142.30643	3.6
147.11255	3.9
151.04497	5.4
163.41840	4.0
175.11932	10.7
175.96387	7.5
185.02916	4.5
187.02914	4.1
199.44756	3.6
213.06213	5.9
232.93776	95.8
232.96112	6.1
240.90709	4.7
241.05608	5.6
258.91742	95.3
259.06686	15.0
259.92053	4.7
261.02737	3.5
277.07730	4.9
284.89694	14.6
286.15097	4.5
294.69873	3.7
302.90720	14.3
303.08295	29.2
303.17383	23.8
303.20560	10.5
304.08527	3.4
304.16321	4.3
304.17892	5.2
304.20892	17.8
307.87140	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.7
56.96562	0.9
57.03473	0.4
58.06586	0.5
58.63180	0.4
60.05651	0.7
69.03439	0.4
69.86679	1.8
70.06595	5.0
72.08158	3.0
74.06086	0.4
80.80728	0.4
81.04528	1.3
83.06106	12.3
84.04516	1.3
84.08144	10.4
86.09717	2.5
87.05570	0.6
89.60370	0.4
93.04533	9.9
95.06120	0.7
98.97578	3.0
110.07167	100.0
111.07521	1.6
112.08739	0.9
113.07111	0.4
115.08725	0.6
116.07081	0.7
116.98618	1.3
118.08604	0.4
120.08131	2.6
129.10242	5.6
130.06480	0.5
130.08614	0.6
133.06097	0.7
138.06639	2.9
143.11777	0.6
144.10225	2.0
145.10545	0.7
147.07602	0.4
147.11334	0.5
156.07709	4.4
158.99608	0.6
166.08453	0.5
175.11905	1.1
177.00903	0.5
210.06094	0.6
212.11790	1.8
254.57919	0.5
257.13965	3.9
268.11047	0.5
285.13504	6.2
303.08170	2.2
303.14600	6.9
303.17648	1.2
303.20334	2.3
304.14706	0.6
304.17960	0.6
304.21060	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73898	1.6
56.05041	4.6
56.96571	3.6
58.06606	5.3
58.30805	1.9
69.07082	3.2
69.25314	14.3
70.06601	21.8
72.08154	15.7
74.06078	5.0
81.03478	1.6
83.06107	9.5
84.04517	6.7
84.08150	32.8
86.09715	35.8
86.10242	2.4
93.04544	8.7
98.02417	2.6
98.97595	4.8
101.07157	2.2
110.07171	100.0
110.87173	1.8
111.22522	2.0
111.63112	1.9
115.08654	2.5
116.07131	4.8
118.27755	2.0
120.08133	3.2
124.07590	4.2
126.09181	3.7
127.05064	3.4
128.10710	4.1
129.10252	21.5
129.11107	3.6
130.08681	2.2
138.09192	3.8
141.10237	4.3
143.11818	2.4
144.06572	4.3
144.10245	14.7
145.10576	7.9
147.11299	2.1
155.11797	4.4
156.07726	6.9
158.80495	2.2
161.09296	2.9
166.08670	3.1
175.11914	4.8
183.11349	5.6
200.14006	16.6
212.11732	3.3
228.13441	3.9
230.36328	2.4
240.13484	3.6
257.14139	4.1
257.29297	1.9
268.19049	1.9
285.13565	6.6
285.19089	2.5
286.20206	4.6
303.08215	29.0
303.14380	7.5
303.17538	5.3
303.20331	15.2
304.21231	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1361
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
53.03936	1.1
54.63781	0.6
55.01870	1.4
55.05509	4.0
56.05034	7.7
57.03432	1.3
57.07035	0.6
58.52129	0.7
58.99571	1.9
60.05654	0.7
61.01135	1.5
65.03954	3.9
65.04227	0.8
67.05508	4.6
68.05029	1.5
69.02347	5.3
69.03427	1.4
69.07076	4.4
70.06580	3.4
70.99545	0.7
71.04984	1.8
72.08143	0.8
74.00655	0.9
74.06078	8.6
74.41315	0.6
79.05059	1.1
79.05490	13.8
80.05014	2.6
81.03423	1.2
81.07056	20.9
82.06573	3.1
82.07376	0.9
83.04971	1.7
83.06091	0.8
83.08610	0.8
83.29860	0.7
84.04502	2.2
84.08144	3.6
85.01126	18.2
85.01642	0.9
85.49020	0.7
86.00130	1.1
86.00653	15.3
86.09703	7.0
86.99058	0.9
87.42164	0.7
88.02195	1.7
91.05489	5.1
92.04991	3.3
93.04519	0.8
93.07048	7.5
94.06560	4.6
95.04968	2.0
95.07319	0.8
95.08608	8.0
96.08126	5.7
97.01093	2.0
97.06536	4.2
97.08903	2.0
98.09693	6.1
100.02227	0.8
102.05550	5.6
103.05444	1.9
105.07032	7.4
107.07314	1.7
107.08573	4.4
108.08134	2.2
109.06525	1.7
109.08898	1.8
109.10161	4.9
110.06052	3.2
110.07168	8.9
110.09666	4.6
111.02665	0.8
111.05521	1.3
113.04227	17.5
114.03717	1.4
114.04561	0.9
115.05473	0.7
117.07024	1.7
119.08570	5.1
120.04478	1.1
120.06591	8.2
120.08101	9.6
121.06477	1.9
121.10107	3.3
122.09662	7.3
123.08049	1.1
123.11700	1.3
125.09587	1.0
128.07069	3.1
129.07109	0.9
129.10233	0.7
130.05017	5.1
131.08574	3.3
133.10150	3.5
135.08040	1.3
135.11676	2.3
137.09558	1.4
138.05498	23.7
138.09138	10.8
139.05742	3.9
139.07564	1.0
139.11128	1.1
142.03276	1.4
143.08551	1.5
144.08084	0.7
145.10114	2.7
147.11635	4.8
148.03928	1.4
149.13216	1.1
150.09152	1.3
151.88924	0.8
156.06615	4.0
156.08438	37.0
157.08759	1.1
157.10089	2.3
159.08060	0.9
159.11665	2.9
160.04243	1.6
161.13268	1.4
162.05396	0.7
163.05032	0.8
163.11159	1.1
165.08992	1.0
166.04991	35.3
169.10139	1.0
171.07712	1.1
171.11702	1.0
173.13200	1.0
174.07635	7.0
174.09047	1.3
175.11224	1.9
175.14876	1.3
177.05521	1.3
177.12793	0.9
178.04904	0.7
184.11191	1.9
187.11118	1.0
187.14885	1.0
188.03714	1.1
189.12730	1.2
189.16467	0.8
193.12253	1.2
196.09915	0.8
199.14769	1.0
200.09424	0.8
200.12779	3.6
200.16420	1.5
201.10222	0.9
202.08940	1.7
204.03218	1.6
206.04814	3.2
207.13835	1.2
211.12212	1.4
211.14893	0.9
212.10657	4.2
214.12367	3.7
215.04913	1.3
217.12184	1.5
221.05861	1.6
228.08868	1.0
229.09789	1.6
229.13371	2.1
229.15633	1.1
230.11807	1.6
232.13293	2.2
239.11740	1.6
239.17966	0.7
240.10225	1.4
242.11760	2.8
243.11301	2.1
257.09149	1.8
257.12857	11.3
257.18918	1.1
259.14633	0.9
260.12656	3.3
267.11325	1.7
272.11526	11.6
274.09442	6.3
275.10263	1.3
275.13870	6.1
285.12350	18.2
285.18698	1.4
285.22107	2.2
286.10736	3.3
303.13440	100.0
303.23044	6.9
304.13733	5.3
322.48526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	19-Hydroxyandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
55.01856	2.9
55.05489	2.7
67.05495	9.3
69.07059	3.1
69.99697	2.0
70.06595	3.1
79.05487	12.5
81.07050	15.3
91.05485	11.3
93.07038	18.3
95.08598	19.8
97.06535	4.7
98.97600	3.3
105.06375	1.8
105.07024	11.0
107.04970	1.8
107.08607	10.7
109.06512	6.0
109.10135	6.6
117.07004	6.5
119.04942	4.8
119.08585	12.0
121.06496	5.1
121.10139	6.6
131.08565	6.4
133.10101	8.3
133.67624	2.0
135.08018	7.6
137.09642	2.3
143.08559	6.5
145.10101	11.1
147.11662	4.4
149.09589	4.0
155.08531	7.2
157.10085	7.5
159.11671	7.4
161.09583	7.4
163.11215	2.5
167.08516	2.5
169.10100	6.2
171.11726	2.2
173.09592	5.3
175.11121	3.7
181.10144	2.2
183.11703	5.4
185.13272	2.3
187.11177	6.7
187.14772	1.9
189.12695	2.5
197.09526	3.5
197.13196	4.7
200.79221	2.4
201.12766	3.1
208.22017	2.2
211.11153	5.8
211.14771	5.1
225.12749	4.6
227.14284	5.5
229.12279	3.7
229.19324	3.5
239.14249	8.0
239.17909	13.3
249.16515	3.2
257.19006	24.0
267.17462	22.8
275.20038	9.5
285.18500	41.7
286.18542	2.2
303.04691	2.1
303.12180	3.4
303.19501	100.0
304.20023	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	304.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30632	3.2
55.01879	6.7
55.05510	10.8
55.26449	3.0
56.05042	5.4
57.03423	4.5
58.06594	10.7
58.99577	9.0
67.05511	21.4
69.03411	3.7
69.07059	4.3
70.06593	15.5
71.04984	18.0
72.08157	33.5
74.00669	6.4
74.06068	22.7
76.02225	6.0
79.05501	9.7
80.93784	3.0
81.03399	7.7
81.07047	13.5
83.04993	6.1
85.02911	5.0
86.06107	3.9
86.09694	4.2
86.99045	4.7
91.05469	15.2
93.07047	8.5
95.04967	11.6
95.08602	18.6
105.07046	13.8
107.04993	3.6
109.10147	7.0
110.09676	3.6
111.04422	21.6
113.03706	2.8
113.06044	7.9
119.08573	8.6
120.01177	19.2
120.08115	6.6
122.02680	5.4
122.09649	3.7
123.08071	100.0
129.05493	8.8
132.08072	4.7
133.10161	4.1
137.04211	9.2
137.05969	3.4
137.09598	18.1
139.03935	3.3
142.06917	4.2
144.08046	4.9
146.06013	7.6
147.08032	6.3
154.06871	5.6
155.05240	6.2
155.10675	46.1
159.09154	5.5
164.10782	3.8
165.09129	14.2
180.08455	6.3
183.10217	6.9
186.14926	5.6
188.07301	25.1
197.06282	7.2
205.09735	13.2
222.09521	9.8
225.26933	3.4
226.08971	6.9
240.10548	4.5
242.17488	3.7
250.17934	4.4
268.10104	4.3
268.19125	5.7
285.22781	4.4
286.11053	13.6
286.20114	18.3
286.23120	6.5
287.09470	11.2
303.23529	7.0
304.12000	13.5
304.15906	4.5
304.21130	95.6
304.24185	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	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05040	14.1
57.03437	1.1
57.05376	0.7
58.06606	16.5
59.23812	0.5
60.05652	4.1
67.05502	2.5
68.05029	4.6
69.03445	0.8
69.07057	1.4
69.96366	1.9
70.06596	32.6
71.04987	2.2
71.06921	0.7
72.08157	19.9
74.02448	1.2
74.06077	1.7
79.05495	2.3
81.03410	0.7
81.07063	5.6
82.06573	1.8
83.04939	0.7
84.04510	6.0
84.08144	7.2
85.02906	1.6
85.07681	5.1
86.05582	1.1
86.06070	17.5
86.09711	2.1
88.04003	1.4
91.05489	2.4
93.07052	2.5
94.06557	0.7
95.04974	2.2
95.06042	0.7
95.08620	3.1
96.08132	1.5
97.06532	0.9
97.07647	1.0
98.06020	0.7
98.09667	1.7
98.23384	0.6
99.04424	0.8
100.03989	5.6
100.07632	1.0
101.00864	2.9
101.07150	0.8
102.05556	7.6
102.09181	1.4
103.02428	0.6
104.05293	0.6
105.07034	0.7
107.08556	0.8
108.08126	1.9
109.06502	0.8
110.09676	1.2
111.04423	0.9
111.09197	1.6
112.08707	2.8
113.05990	1.0
113.07121	1.5
114.05533	55.7
114.09151	0.6
114.10265	1.2
115.05888	0.9
115.08714	1.4
116.07083	4.0
117.07031	1.1
119.01914	3.5
119.08576	1.6
123.04418	0.7
124.07597	5.4
124.11240	0.7
125.05972	0.8
125.07131	0.8
126.09156	2.6
127.08691	1.4
128.07080	2.3
128.10663	1.0
129.06583	4.8
130.03508	1.1
130.05006	3.0
130.09764	1.2
131.01945	0.9
133.10149	0.9
137.10727	1.4
139.08638	2.2
141.10222	9.8
142.03519	1.7
142.08641	6.9
143.01894	1.2
144.10197	10.1
145.03447	2.0
145.09737	1.3
151.08676	1.8
155.01869	1.2
157.06085	0.7
157.09732	5.6
158.04529	0.6
158.09259	1.6
159.04997	0.8
159.11378	1.1
160.04559	1.9
161.02956	2.2
161.09509	0.7
168.06606	1.6
168.11313	2.8
169.03510	0.9
169.09752	0.8
170.12878	1.3
171.01445	0.8
173.02979	1.9
175.10562	0.9
175.11931	9.3
177.12726	0.7
181.09741	1.0
182.15524	0.8
183.11388	0.8
184.04494	0.8
185.09221	100.0
186.06145	1.1
186.07639	5.4
186.09480	2.2
187.04510	1.7
196.04575	1.4
196.10788	4.2
198.06160	0.9
200.98180	0.8
203.04129	1.1
203.10349	3.5
206.05124	1.0
206.10419	0.7
208.16937	0.7
214.05679	1.1
214.11864	2.4
214.96516	1.8
215.10223	1.5
216.07187	0.8
221.05072	0.7
224.20059	3.9
226.18011	1.8
227.10237	1.0
231.03645	0.9
240.13400	5.0
242.05254	0.8
242.21100	4.5
250.18132	1.1
252.09660	0.8
256.97549	5.3
257.97495	0.7
258.14520	2.2
260.06378	0.8
263.02805	1.7
268.13113	2.0
268.19092	3.9
286.13962	45.3
286.20111	16.3
286.22861	0.7
287.14328	2.9
287.20282	0.7
298.98740	3.7
304.15778	12.6
304.21167	71.9
305.15662	0.7
305.21494	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	304.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05503	1.1
56.04766	0.8
56.05036	14.4
56.16218	0.5
57.03430	1.0
58.06321	0.8
58.06600	16.0
60.05648	4.3
64.41277	0.7
65.85018	0.5
67.05492	2.3
67.32575	0.6
68.05022	3.8
69.07043	1.8
70.06593	34.7
70.74801	0.8
70.75135	1.0
71.04984	2.1
71.06908	0.7
72.07758	0.8
72.08154	16.8
74.02427	1.1
74.06071	1.6
79.05495	1.2
81.03366	0.7
81.07062	3.8
82.06578	1.8
83.06116	0.5
84.04499	6.9
84.08141	7.3
85.02901	1.1
85.06546	0.8
85.07674	5.4
86.06065	16.2
86.09689	2.0
87.06320	0.7
88.03979	1.2
91.05486	1.3
93.07021	1.7
95.04953	1.3
95.08624	3.2
96.08116	2.1
96.77828	0.6
97.06490	1.0
97.07664	0.7
98.06049	1.0
98.09672	1.6
100.03976	5.3
101.00901	1.2
102.05538	8.5
102.09192	1.4
105.07017	1.2
108.08108	2.3
110.09670	1.1
111.09191	1.2
112.08727	3.7
113.06001	0.9
113.07112	0.9
114.05531	53.6
114.09290	0.7
114.10282	2.4
115.05854	0.8
115.08710	1.0
116.07086	4.8
117.07034	0.6
119.01921	2.8
119.08569	2.1
124.07598	7.1
124.11266	0.7
126.09155	2.6
127.08651	0.8
128.07098	2.8
128.10701	0.6
129.06593	5.3
130.03506	0.8
130.04964	2.3
130.09753	1.2
131.01964	1.4
137.10751	1.4
139.08684	1.8
140.07106	0.7
141.06563	1.6
141.10228	10.8
142.03523	1.2
142.08646	6.2
143.01880	1.0
144.10193	9.0
145.03470	3.2
145.09724	2.3
151.08627	1.6
154.03294	0.6
157.09729	6.2
158.09242	3.2
159.05008	1.1
159.11485	1.0
160.04507	1.0
161.02968	1.9
168.06454	1.2
168.11346	3.7
169.03484	0.9
169.09731	0.7
170.06694	0.8
170.12900	0.7
173.03029	1.0
175.11906	13.1
176.12250	0.6
179.08105	0.9
182.08058	0.8
183.11288	2.1
185.09212	100.0
186.07605	5.6
186.09540	3.1
187.04509	1.4
188.09518	0.5
196.04489	1.0
196.10793	4.5
201.12320	0.6
202.05667	0.7
203.10303	3.3
206.05064	1.1
208.04480	0.6
208.16949	0.9
214.05649	1.3
214.11873	1.8
215.10197	2.1
217.02196	0.7
224.20117	2.7
226.17937	1.9
227.10254	0.8
231.03436	1.0
232.06583	1.0
237.14818	0.8
240.13434	5.5
241.10435	0.7
241.13107	0.6
242.05101	1.5
242.21049	2.8
250.18037	1.4
256.97562	1.8
258.14505	2.2
268.13104	2.2
268.19019	3.3
286.13947	50.7
286.20081	14.5
287.13654	4.0
287.20621	0.8
298.98532	1.6
304.05402	0.7
304.15897	15.3
304.21164	60.9
305.21417	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	304.1657
Annotation	Val Trp
Peak:m/z	Relative Intensity
51.08648	0.4
55.05513	13.5
56.05032	1.8
57.05817	1.7
58.06603	11.3
60.44192	0.4
66.66589	0.4
67.05515	0.7
69.07071	1.4
70.06599	2.2
70.43704	1.1
71.05005	0.5
72.08157	100.0
72.30587	0.4
73.08482	1.2
74.06077	0.8
79.05496	1.4
81.07063	1.9
84.08147	1.2
86.09706	1.0
88.07632	0.5
91.05492	1.5
93.07036	0.5
95.04990	0.7
95.08607	1.3
97.06513	0.7
98.06044	0.9
99.09232	1.8
101.79915	0.5
105.07043	1.0
107.08604	0.7
110.07174	0.5
110.09666	2.0
112.52176	0.4
113.06022	0.6
114.09194	0.8
115.05457	1.3
116.07109	1.7
117.05761	1.2
117.07050	1.4
118.06556	6.0
119.08569	0.7
120.08111	0.8
127.08704	3.4
128.10686	0.4
130.06523	6.8
132.08092	14.8
133.10150	0.7
139.03841	0.7
142.06482	2.4
143.07178	0.5
144.08086	14.2
145.08379	0.5
146.06006	29.8
147.06320	0.7
159.09172	23.8
160.07542	1.8
160.09503	0.6
160.26099	0.5
170.06020	7.1
185.09207	0.6
187.04004	0.4
187.08673	0.7
188.07068	65.5
189.07410	2.4
205.09731	49.9
206.09999	1.8
217.89984	0.4
224.20099	1.2
242.21153	1.3
258.15958	1.3
259.14392	0.9
268.19189	2.0
272.18509	0.6
286.20148	8.1
286.23196	0.6
287.13904	9.4
288.14178	0.5
304.16489	8.8
304.21085	14.7
304.23984	1.2
305.21420	0.6
306.52457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.5
55.05507	2.2
56.05030	8.7
56.19197	1.4
57.03442	1.7
58.06601	18.6
60.05643	5.1
62.54090	1.3
67.05504	3.6
69.03434	7.3
69.07070	3.4
70.06208	1.6
70.06596	30.7
70.06953	1.1
71.05001	3.2
71.28126	1.7
72.08158	49.8
72.60603	1.2
75.05598	2.1
79.05488	4.4
81.03423	2.0
81.07051	8.9
82.06579	2.2
83.04982	1.9
84.04505	9.3
84.08141	13.2
85.02918	1.6
85.07690	1.2
85.08925	1.9
86.06077	4.2
86.09709	25.9
87.04468	3.7
91.05484	2.6
93.07053	3.4
95.04972	5.5
95.08595	3.4
96.08112	1.9
97.06542	8.1
98.97582	1.5
99.04455	2.6
100.07624	1.1
102.05574	3.2
102.09180	73.5
103.05453	1.4
103.09534	1.1
105.07034	1.8
107.04959	3.4
108.08120	3.1
109.06536	3.3
110.07178	10.0
111.04451	14.2
111.07497	2.6
112.08749	3.8
113.06030	6.6
114.05549	13.3
115.03943	1.4
115.08717	2.0
116.07104	4.7
117.07026	2.8
119.08603	2.3
120.08051	1.4
123.04457	1.4
124.07574	2.2
125.06030	5.2
126.09189	3.6
128.10730	2.5
131.08588	1.9
135.04405	3.6
135.08061	5.0
137.05989	2.7
137.09712	1.5
143.11815	18.3
144.10194	12.8
155.17909	1.3
158.09277	3.7
159.08092	1.3
163.07500	7.9
165.05428	1.3
171.11314	3.2
173.09233	1.6
175.11931	9.1
177.09143	8.3
181.08524	2.8
185.09218	23.7
205.08652	12.3
214.96501	1.7
219.02034	3.8
223.09653	12.0
224.20116	3.7
226.18062	3.4
237.66139	1.2
242.21187	3.5
250.17979	2.3
252.55336	1.3
256.97592	6.8
262.03119	1.3
263.02930	3.9
268.19046	7.8
286.13806	9.3
286.16769	3.4
286.20084	26.0
287.13535	2.3
298.98520	3.5
304.17474	66.4
304.21201	100.0
305.17987	2.8
305.21466	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	304.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76482	0.8
55.05503	2.0
56.05037	10.1
57.03422	2.0
58.06600	17.1
60.04525	4.0
67.05495	1.6
68.05024	1.2
69.03461	0.9
69.07063	1.4
69.82887	3.1
70.06589	8.2
72.08155	25.1
73.08498	1.3
74.06081	41.0
79.05487	2.7
79.57954	0.7
81.07055	6.2
82.06586	2.4
83.06110	5.1
83.87117	0.7
84.04515	4.8
84.08144	7.2
85.02891	1.5
86.06071	1.5
86.09705	24.2
87.05589	2.0
88.07631	1.0
91.05476	1.3
93.07008	1.1
94.01440	0.7
95.04965	1.4
95.08615	2.9
96.08125	2.4
98.09696	2.4
98.23294	1.0
100.07617	21.0
101.07142	8.8
102.05526	1.1
107.08570	0.9
108.08131	5.5
109.08482	0.8
110.06037	7.5
110.07162	3.1
110.09671	2.3
111.07523	0.9
112.03981	0.9
112.07645	0.8
112.11259	1.0
113.07114	1.8
114.05519	1.5
114.09167	2.5
116.07098	3.2
117.07031	0.9
118.08624	0.9
119.08619	1.2
120.08099	1.2
125.18102	0.7
126.09161	6.7
127.08672	4.7
128.10715	2.9
129.10245	3.0
131.08598	1.1
132.10207	10.7
141.13841	1.4
142.12343	0.7
144.09285	0.5
144.10194	31.6
145.09702	38.4
146.10701	1.6
155.08102	1.8
158.11720	1.1
159.11290	14.4
169.13382	1.5
173.09221	26.6
173.12827	8.2
185.09152	1.3
187.10794	3.6
187.14430	2.1
197.12903	1.0
201.12299	2.0
203.13960	3.7
215.13936	1.0
223.88924	0.6
224.20122	1.5
226.18007	3.2
228.73460	0.7
233.15004	5.7
240.13368	0.8
242.21146	2.8
243.13454	2.5
250.18047	1.8
268.19055	5.2
286.14093	1.2
286.17413	2.3
286.20154	16.8
287.20486	1.0
304.21176	100.0
305.21512	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	304.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05040	7.2
56.96558	1.2
57.03433	0.9
58.06604	21.0
59.06940	0.4
60.05635	0.7
61.01145	0.7
67.05492	1.4
69.07059	1.2
70.02914	0.4
70.06595	17.2
71.04983	1.2
71.06922	0.5
71.27986	0.5
72.08158	14.0
73.08497	0.5
74.06081	9.1
79.05500	2.3
80.04481	0.4
80.04980	0.5
81.03402	0.5
81.07059	3.2
82.06562	0.8
83.04989	0.5
84.04507	4.2
84.04977	0.6
84.08145	5.7
85.02925	0.8
85.06532	0.5
85.08459	0.7
85.83360	0.4
86.06071	2.7
86.09709	43.5
86.17690	0.4
87.10033	1.3
88.03991	0.6
88.07613	0.9
91.05489	1.9
93.07066	2.3
95.04980	1.4
95.08600	1.2
96.08132	1.9
97.06544	0.6
98.06069	0.6
98.09644	0.9
98.97580	4.6
99.04480	0.4
100.07605	1.3
101.07136	3.7
102.05549	1.1
104.05343	2.2
105.07043	0.6
107.08592	1.4
108.08121	1.8
108.20306	0.4
109.06518	1.0
109.10235	0.4
110.07163	3.0
110.09698	0.7
111.04446	0.4
111.07467	0.7
111.08104	0.8
112.08685	0.7
113.05987	0.6
114.05515	1.3
114.09195	0.5
116.07108	1.3
116.98620	2.3
117.07060	0.4
119.08574	1.4
120.06575	1.6
120.08099	1.1
121.10139	0.6
122.09658	0.7
124.07593	0.6
124.11238	0.5
125.09655	1.0
126.09148	2.9
126.12755	0.5
127.05013	0.6
127.08668	1.9
129.10240	1.8
130.04921	0.6
130.10582	0.4
131.08513	0.5
132.10133	0.5
133.10083	0.7
135.08038	1.0
137.09618	0.5
142.08649	1.2
142.12283	1.8
143.11783	1.6
144.10211	9.1
145.07938	0.4
145.09666	0.5
146.08133	0.9
149.09688	0.4
151.11192	0.4
153.09137	0.9
155.08167	1.4
157.13379	12.4
161.09637	0.6
163.11308	0.5
169.13344	0.6
173.09236	5.3
175.11920	1.0
185.09293	1.9
185.12836	3.1
187.10866	0.8
187.14421	19.6
187.16121	1.0
191.10229	0.6
201.08781	0.6
201.10747	0.5
201.12346	3.0
203.13933	1.0
208.16870	0.6
213.12363	0.5
215.13921	5.9
224.20146	1.5
226.18054	3.5
236.02324	0.7
238.94533	0.4
241.15501	1.0
242.21193	1.2
250.18071	2.8
268.19113	6.3
278.03534	0.5
286.17416	1.3
286.20166	16.3
287.20535	0.8
304.01337	0.9
304.21179	100.0
305.21515	5.0
322.02380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.05031	1.6
58.02956	0.3
58.06321	0.8
58.06602	14.3
60.04535	0.4
67.05501	0.7
68.05041	0.4
69.03417	0.3
69.07079	0.5
69.72829	0.7
69.73215	0.7
70.06583	1.5
70.25318	0.3
72.08159	5.3
73.02905	0.3
74.05773	0.3
74.06080	2.9
78.04610	0.3
79.05486	0.7
81.07060	2.5
82.06593	0.7
84.08149	4.1
85.02877	0.4
86.06063	0.5
86.09707	1.0
87.04407	0.4
88.07625	0.5
91.05476	0.7
93.07007	0.9
95.08601	1.2
96.08134	1.2
97.06512	0.3
98.09702	0.9
98.22534	0.3
99.05400	0.3
100.07623	0.8
105.07030	0.5
107.08546	0.4
108.08122	4.8
110.07146	0.4
110.09659	1.3
119.08604	0.3
120.08096	0.5
122.09675	0.4
124.11205	0.6
126.09147	7.2
127.07562	0.5
128.10725	1.3
129.10252	0.3
141.10228	0.3
144.10194	28.3
145.10611	0.7
146.10661	0.7
154.09271	0.3
159.11324	0.3
173.12903	1.2
182.15457	0.6
184.13342	0.5
187.14470	0.3
201.12335	0.6
205.11920	0.5
210.14984	0.4
224.20111	0.7
226.18008	1.0
242.21194	1.0
250.18094	2.3
255.05649	0.3
268.19098	4.1
286.20135	11.8
287.20496	0.6
304.21176	100.0
305.21484	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	304.2117
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
55.05501	1.2
56.05041	1.7
57.03424	0.3
57.07080	0.4
58.02962	0.4
58.06318	0.5
58.06600	8.0
67.05490	1.4
68.05025	0.4
69.03428	0.4
69.07048	1.2
69.74072	1.6
70.06583	1.9
71.04953	0.4
71.07391	0.4
72.08154	11.5
79.05483	1.1
80.05042	0.3
81.03414	1.0
81.07036	2.0
82.06565	1.0
83.04964	0.4
83.08598	1.2
84.08148	2.5
86.06049	0.5
86.09686	1.0
87.04446	0.3
91.05470	1.0
93.07038	1.5
94.06552	0.8
95.08595	1.2
96.08134	3.5
97.06532	0.4
97.10161	0.6
98.09711	0.4
100.07613	0.7
107.08624	0.6
108.08111	4.0
109.06474	0.4
109.10155	0.4
110.06042	0.4
110.07198	0.6
110.09688	1.1
119.08594	1.3
121.08889	0.8
121.10133	0.4
122.09657	1.4
124.07578	0.6
124.11214	0.8
126.09162	2.4
128.10793	0.4
133.10101	0.6
138.09109	0.4
138.12816	0.4
144.10190	7.6
152.10660	0.5
182.15430	2.1
184.13335	1.0
200.16481	0.9
208.16978	0.4
210.14896	1.0
220.17020	0.7
222.18521	1.1
226.18028	1.2
238.17989	1.6
240.19562	1.1
242.17325	0.4
250.17999	9.1
251.18292	0.9
268.19080	20.5
269.19412	1.0
286.20117	30.1
287.20541	2.0
304.21167	100.0
305.21518	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	304.2119
Annotation	3-hydroxyoctanoylcarnitine
Peak:m/z	Relative Intensity
53.03938	1.5
55.01860	2.7
55.05501	3.0
55.44633	0.9
56.05040	11.0
57.03429	3.6
58.02960	2.0
58.06316	1.9
58.06602	31.7
60.05618	1.2
67.05504	11.8
69.07066	10.0
69.21931	5.6
70.06589	8.9
71.04999	15.1
71.07353	1.5
72.05304	0.9
72.08155	10.5
73.08482	1.1
74.06055	1.3
79.05492	9.9
81.03407	3.4
81.07059	35.2
81.33428	0.8
82.07370	1.2
82.62070	1.0
83.04948	1.3
84.08150	7.9
85.02875	0.9
86.09692	4.2
88.34108	0.9
91.05444	5.0
93.07055	7.4
95.04966	9.0
95.08608	24.8
96.08146	1.3
97.06551	5.6
97.10139	1.7
98.22594	1.9
99.04456	6.1
101.07185	1.1
105.07041	3.5
107.04958	1.5
107.08561	4.9
108.08138	1.2
109.06532	1.1
110.07162	2.3
110.09684	4.0
111.08115	2.1
112.08698	0.9
112.11201	1.0
113.06007	8.6
117.07027	4.1
119.08587	4.9
120.08088	2.2
121.06474	1.3
121.10199	1.2
123.04439	4.1
123.08067	3.1
128.36044	0.9
129.10286	1.0
131.08557	3.5
133.10115	3.2
135.08067	1.5
135.11681	1.8
137.09576	1.4
141.05441	2.5
144.10185	1.5
145.10130	1.6
147.11650	1.0
149.13243	1.3
151.07622	0.9
151.11191	2.0
156.00369	0.8
159.06502	1.1
159.11681	3.1
159.21240	0.8
169.08560	1.9
173.13297	2.8
175.11925	1.2
175.14679	1.1
177.12744	3.2
182.15379	1.9
183.11784	0.8
187.14438	1.9
191.14313	1.2
193.15904	1.0
195.13847	1.0
201.12820	1.8
206.19090	2.1
208.17026	2.7
219.13756	2.4
224.20099	26.3
225.20471	1.5
226.18021	11.7
227.18456	0.9
237.14871	7.1
242.21158	28.9
243.21579	1.2
250.18004	3.2
254.22408	0.9
268.19040	10.5
269.19427	1.0
286.20145	68.8
286.23550	4.8
287.20450	4.7
304.21188	100.0
305.21576	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	304.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
53.58599	0.2
55.01868	0.3
55.05511	0.9
56.05037	0.4
57.29829	0.2
58.06608	0.2
59.54888	0.2
67.05503	0.3
68.05034	0.6
69.07072	0.9
69.07366	1.4
70.06586	0.7
72.08164	1.3
79.05494	4.7
80.05013	0.4
81.05804	1.7
81.07053	0.8
83.08643	0.4
84.04527	0.2
84.08138	0.5
91.05474	1.4
93.07050	0.3
94.06573	2.0
95.04942	0.2
95.08630	0.5
95.75980	0.2
95.98174	0.2
96.08131	37.3
97.06544	0.7
97.08458	0.4
100.11259	0.4
105.07037	0.4
107.08624	0.4
110.07193	0.2
114.09167	100.0
115.09508	1.7
119.08596	0.3
120.08099	0.6
121.10137	0.3
135.11676	0.2
147.45541	0.2
165.22943	0.2
197.93739	0.2
216.11154	0.2
250.19566	0.2
286.21683	0.4
304.22717	22.1
305.09918	6.1
305.13293	0.4
305.17310	0.4
305.23016	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
55.87551	0.4
56.05037	11.7
57.07078	8.9
58.06601	7.0
60.04523	9.7
67.05491	0.7
68.05022	1.0
69.07056	1.2
69.83618	0.4
70.06577	0.6
71.08632	4.5
71.30234	0.9
74.06082	13.2
79.05478	0.6
81.07052	1.0
83.04986	0.5
85.10178	1.9
86.06062	1.7
88.07628	44.8
90.05591	0.4
91.05481	0.9
93.07043	0.4
95.08604	1.0
98.41561	0.5
104.07120	0.8
105.61227	0.4
109.10116	0.7
118.08648	7.6
121.10103	0.8
122.08135	6.9
226.41420	0.5
242.24835	0.5
256.26352	39.1
257.26688	2.5
268.26404	1.4
286.27380	3.7
303.62839	0.4
304.28445	100.0
305.28793	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	305.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
56.98747	1.6
60.29693	1.7
65.50044	1.7
67.05517	3.6
69.07064	4.1
69.85679	2.4
69.86015	7.6
79.05486	4.5
81.07067	8.9
81.23627	1.6
83.08650	1.9
85.06509	2.2
89.66741	1.6
91.05476	4.9
91.06014	1.7
93.07024	9.6
95.04970	4.0
95.08593	8.3
97.06524	3.5
105.07008	8.4
107.08585	6.0
109.06520	2.9
109.10163	4.8
114.09141	3.0
119.08572	5.2
120.08025	2.1
121.10147	8.0
130.30142	1.7
131.08601	3.6
133.10126	4.8
135.08041	2.1
135.11685	1.8
137.06050	2.2
137.13232	2.6
145.10117	2.3
147.11597	2.5
159.11719	3.8
161.09610	1.7
161.13272	2.3
201.16528	1.8
221.76578	2.1
273.07266	2.9
287.16544	2.3
287.20444	2.3
289.10495	1.6
289.14233	2.1
305.09943	100.0
305.13284	6.5
305.17365	6.5
305.21289	3.8
305.24573	3.7
306.10101	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	305.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11596	1.2
52.63514	1.4
55.05495	3.5
57.07073	2.0
67.05492	4.0
69.07062	3.2
69.47794	6.3
70.06603	1.8
71.04969	1.4
79.05503	6.5
81.07055	8.4
83.04954	2.1
83.08604	2.1
84.08147	1.9
85.06508	2.0
91.05486	3.8
93.07037	5.4
95.04956	2.5
95.08624	7.4
96.08131	25.0
97.06550	1.7
97.08453	6.0
98.23258	1.9
105.07027	6.3
107.08577	5.8
109.10162	3.5
110.07166	1.6
114.09168	66.9
115.08786	1.9
115.09512	19.3
119.08598	4.1
121.10136	3.9
121.40064	1.2
123.11689	2.0
125.88869	1.3
131.08571	1.9
133.10143	3.0
137.13313	1.4
145.10141	2.5
147.11638	1.7
149.09613	1.8
151.74043	1.2
157.67274	1.3
161.13304	1.9
177.08905	1.5
180.98824	1.3
245.22801	1.4
259.24570	1.4
304.22601	3.3
305.09949	100.0
305.17258	3.8
305.22708	10.4
306.10242	3.6
306.26694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38907	1.9
55.05513	12.6
56.05037	12.2
57.07072	5.7
58.99592	5.7
68.05027	4.7
69.04482	15.7
70.06594	4.0
74.00657	6.4
74.06083	16.6
74.78591	2.0
76.02246	2.3
79.05509	2.5
81.07053	4.5
81.25652	2.5
82.06591	3.7
83.08624	4.5
84.04512	3.6
85.01132	9.8
86.99071	3.9
88.02218	3.2
92.44876	2.2
95.04961	2.1
95.08598	3.4
98.09715	3.0
99.02677	7.9
100.11259	22.4
102.05557	10.9
107.08581	5.3
110.06050	4.0
115.05795	6.5
116.05331	21.4
120.06583	21.7
124.11195	4.9
130.05008	8.0
141.07317	16.9
142.03200	4.9
156.06508	2.8
158.09991	100.0
160.04280	6.3
178.05330	3.6
188.03728	3.0
202.14407	6.5
204.03200	10.5
204.10582	5.0
206.04832	18.4
229.05028	2.1
287.14212	8.0
288.12674	10.3
305.15317	45.4
306.26413	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	306.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03925	0.7
55.01874	0.7
55.05501	0.8
56.05037	6.6
56.96556	0.8
57.03423	1.3
58.06587	1.8
60.04524	2.3
60.05640	1.0
61.01157	2.5
67.05501	0.9
69.03078	0.6
69.03429	7.3
69.07065	0.9
69.67087	0.4
70.06595	11.8
70.23346	0.4
71.04988	0.7
71.28611	0.9
72.08160	14.1
74.06087	4.4
79.05495	1.4
81.03419	0.9
81.07029	1.3
84.04513	4.9
84.08146	7.5
85.02899	1.9
85.08464	1.3
86.09707	4.0
89.03899	1.6
91.05460	1.5
93.07023	1.3
95.04990	0.5
95.08618	0.9
97.02884	1.3
98.06096	0.7
98.09681	0.9
99.04437	0.5
101.07168	0.5
102.05546	4.3
103.03958	0.6
103.05471	0.8
104.05300	1.0
105.07027	1.4
107.04967	0.9
107.08586	0.8
109.02888	0.6
110.07169	1.6
111.05567	0.4
112.05085	1.0
112.08702	0.8
115.05450	3.7
115.08668	0.6
116.07094	1.1
116.38271	0.4
117.03396	2.7
117.05748	3.2
117.07015	1.3
118.06927	3.5
119.05005	0.5
120.06615	0.7
120.08104	4.2
121.10078	0.6
127.03927	4.0
129.10243	1.5
130.05069	8.5
130.06531	42.0
131.06897	0.5
131.16771	0.5
132.08093	56.0
132.10150	1.2
133.02869	0.6
133.08421	1.5
135.04430	5.4
136.07610	0.9
137.06036	0.9
142.06522	7.0
143.07234	0.8
144.04779	2.0
144.06575	1.2
144.08092	14.5
144.10223	0.9
145.02856	3.0
146.05989	0.9
147.04407	0.9
147.07674	0.9
147.11644	1.0
157.06177	0.6
157.07565	0.7
158.06038	1.7
158.08272	1.2
159.09180	100.0
160.06331	0.8
160.07596	5.9
160.09554	3.8
161.09230	1.7
163.03908	30.2
170.06018	17.5
170.09612	0.5
171.06363	0.7
172.07491	0.9
173.12877	0.5
175.07176	0.9
175.08601	0.5
175.12018	1.0
188.07083	0.8
210.18428	1.1
214.12724	1.4
226.21635	0.5
228.19623	1.4
235.10934	0.5
242.15771	1.7
243.11304	0.8
245.09088	0.6
247.10710	0.6
261.12375	3.9
270.20599	2.5
271.10883	1.0
288.13483	1.0
288.18326	1.0
288.21643	6.1
289.11819	36.3
290.12216	2.2
306.15924	3.9
306.19034	1.0
306.22678	20.1
307.08237	1.6
307.23065	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58191	0.4
69.07069	1.7
70.02408	0.3
70.60742	0.6
79.05493	1.1
81.07035	0.9
87.01134	0.3
91.05482	0.5
94.04187	2.0
95.08661	0.4
96.03616	0.3
107.04967	0.5
109.10153	0.8
114.95526	0.3
122.03648	5.7
126.09144	0.6
133.10118	0.9
135.11670	1.9
137.05975	100.0
138.06334	2.0
153.12717	1.8
170.15390	2.6
171.39519	0.3
182.15405	2.7
235.32712	0.4
306.20602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45741	0.8
53.03923	1.4
53.23075	0.7
55.05509	2.9
56.05038	13.1
57.03445	5.5
58.06601	35.6
59.06938	0.7
60.04519	0.9
61.01142	1.0
61.44817	0.8
64.03888	0.8
67.05504	6.8
69.03436	3.9
69.07062	2.7
69.30273	5.4
70.06600	10.6
71.04996	1.7
71.07366	2.0
72.08160	10.2
74.06080	42.6
79.05486	7.6
81.03417	3.8
81.07056	13.8
82.06571	1.1
82.07392	1.1
83.04990	1.4
83.06110	0.9
83.08614	1.6
84.04511	6.9
84.07635	0.9
84.08144	17.2
85.02896	3.5
85.04015	4.1
85.06543	1.6
86.09695	3.1
88.07631	1.7
89.38374	0.9
91.05484	5.3
93.07050	9.5
95.04964	0.9
95.08617	8.9
96.08102	1.6
97.02876	1.4
97.06509	1.4
97.10162	1.0
98.09677	2.3
98.22620	1.4
99.04484	1.8
103.03949	2.2
103.05442	1.0
104.05333	1.8
105.07027	5.0
107.04942	1.2
107.08606	5.3
109.02885	1.4
109.06526	1.1
109.10169	2.4
110.07168	2.2
110.09676	1.3
112.08710	0.8
112.11261	1.5
113.07130	1.2
117.03410	1.4
117.07051	0.9
118.06548	8.8
119.08604	4.1
120.08099	1.6
121.10137	4.3
125.09653	0.9
127.03912	4.2
129.06596	4.2
130.06517	10.8
131.08588	1.8
132.08113	8.2
133.10130	2.1
135.04414	2.9
135.11667	1.0
137.05956	1.0
142.06509	2.0
143.08495	0.9
144.08086	12.8
145.02858	1.7
145.04953	1.3
145.10124	1.1
146.06000	40.7
147.06371	1.4
147.11710	1.5
149.09596	1.4
157.07620	3.6
158.06020	2.5
158.08430	1.3
159.09186	7.6
161.13217	3.9
163.03905	13.2
164.07176	1.0
170.06004	4.1
175.08713	1.7
175.14864	1.0
177.05453	1.4
185.13234	0.8
187.08737	1.3
188.07066	69.0
189.07396	2.8
197.15428	1.0
205.06606	1.8
205.09729	35.8
206.10103	2.9
208.20586	11.1
210.18539	16.6
210.20374	1.5
211.18951	1.1
217.09825	1.3
221.15259	1.3
226.21613	3.4
228.19673	1.4
233.05927	0.9
234.18634	2.2
243.11298	1.2
245.09262	6.8
252.19507	3.8
260.14069	4.1
261.08618	0.9
270.20651	25.5
279.06549	1.9
288.13095	1.4
288.21695	37.6
289.22070	2.8
306.14529	13.3
306.22736	100.0
307.05667	1.3
307.08609	1.4
307.23065	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	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05515	4.3
56.05032	1.0
57.03447	0.5
57.07064	0.4
58.06602	2.2
65.03941	0.9
65.89735	0.2
67.05503	19.5
69.07068	3.8
70.00134	0.8
70.06590	19.9
71.06944	0.3
74.06078	0.3
79.05492	10.4
80.05835	0.3
81.07056	12.0
82.06584	2.1
83.07366	0.5
83.08624	0.6
84.08143	1.1
91.05481	6.1
91.06014	0.5
93.07041	8.9
94.06598	0.6
95.04966	0.8
95.08603	7.4
96.08131	4.0
97.08904	1.3
98.09686	2.3
105.04491	0.4
105.07031	3.5
107.08588	3.9
108.08125	0.5
109.10148	1.6
110.09664	2.1
117.07013	0.5
119.08566	2.4
121.10136	1.9
122.09684	0.4
124.11208	0.6
131.08562	0.9
133.10138	1.9
135.11679	0.6
136.11197	0.8
138.12833	0.8
143.08539	0.5
143.26108	0.3
145.10152	0.7
147.11639	0.5
159.11748	0.4
180.17432	0.5
192.17513	0.3
197.13263	0.3
232.20547	0.4
288.26843	50.9
289.27185	3.5
306.27887	100.0
307.20508	1.1
307.28207	7.7
307.31754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26601	0.3
53.03941	0.7
55.01866	1.0
55.05511	8.2
55.36923	0.3
57.07063	0.8
58.06585	0.2
65.03939	0.4
67.05504	10.9
68.22598	0.3
69.03433	0.3
69.07069	8.8
69.38777	0.2
70.06562	0.3
71.08613	0.3
71.12013	0.7
79.05496	2.6
81.06582	0.5
81.07057	8.8
82.06554	0.4
82.07386	0.3
83.08623	3.3
85.05278	2.4
85.71408	0.3
86.06068	1.3
90.23129	0.2
91.05483	1.4
93.07033	1.6
95.04959	0.6
95.08605	5.6
96.08131	0.5
97.10169	1.0
98.06055	17.0
98.09637	0.2
99.06861	0.6
105.07026	1.3
107.08582	1.1
108.08149	0.3
109.10170	2.0
110.09691	0.5
112.07594	2.8
119.08545	0.7
121.10146	0.9
123.11655	0.3
124.07589	0.3
124.11213	0.4
126.09142	0.8
133.10141	0.4
135.07970	0.3
135.11687	0.4
137.05954	1.0
138.09151	0.4
140.10718	0.8
147.11722	0.3
149.13208	0.4
152.10712	0.4
154.12274	0.9
168.13837	0.3
175.14732	0.3
178.12076	0.3
180.13808	0.3
182.15378	0.6
182.55817	0.3
196.16940	0.8
208.16975	0.8
222.18445	0.6
236.20059	0.5
259.07602	0.3
306.27896	100.0
307.22797	0.3
307.28278	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	306.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01852	1.2
55.05510	6.8
55.53463	0.6
57.07059	0.8
59.51356	0.6
62.48334	0.7
65.03960	0.6
67.05506	10.0
69.07066	7.6
70.44011	1.1
79.05491	1.4
80.43581	0.6
81.07065	6.2
83.08608	1.7
85.05294	1.6
86.06071	0.7
91.05462	1.0
93.07047	1.1
95.08617	4.5
97.10165	0.8
98.06052	12.6
105.07031	0.9
108.20513	0.6
109.10154	1.5
112.07578	1.8
126.09103	0.7
131.12090	0.5
132.27582	0.6
136.17006	0.5
140.14363	0.6
154.12328	1.0
168.13852	1.0
172.93120	0.6
240.26408	0.6
306.27899	100.0
307.28262	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	306.9019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99582	1.2
70.06589	1.0
70.19397	0.9
72.08141	1.3
76.01829	0.6
76.02230	6.6
84.04504	2.9
86.21199	0.3
94.93019	13.0
109.91685	0.5
114.54604	0.3
116.01674	1.4
118.08654	0.5
125.45953	0.3
130.04958	0.9
133.03499	1.2
142.03247	0.4
144.01157	0.7
145.03479	0.7
148.88063	0.5
151.04472	0.3
161.94833	0.3
162.02191	2.7
162.42624	0.3
179.04849	2.6
189.13490	0.6
201.04430	0.3
201.06117	1.3
202.89108	100.0
203.89433	0.9
216.90700	3.3
218.92288	3.0
233.05894	0.8
244.90187	3.9
245.05254	0.5
246.88101	3.5
288.18039	0.4
288.21619	0.5
306.15936	0.5
306.19373	0.4
306.22760	1.2
306.90167	2.4
307.22934	0.5
308.09103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14360	0.8
56.96571	2.4
67.08125	0.8
70.99872	1.4
71.27654	0.7
77.00880	0.8
82.99866	3.0
84.08148	1.1
97.01411	2.9
101.00882	41.7
102.00986	1.4
104.49710	0.9
112.89578	0.8
113.00902	3.3
115.02429	16.9
116.02582	1.1
117.04050	1.3
119.01921	100.0
120.02010	4.4
125.31683	0.9
126.98788	1.2
129.04012	4.3
131.01904	12.5
132.01990	1.2
133.03464	28.0
134.03577	1.2
135.05104	1.2
137.02956	18.8
142.03500	0.9
143.01910	7.8
144.99847	3.0
145.03477	5.7
147.01424	1.9
147.05040	5.9
149.02966	3.5
151.04535	3.3
155.01926	3.1
157.03500	2.7
159.01343	4.5
161.02954	16.0
162.03159	1.2
163.04541	1.0
168.99815	10.0
171.01479	1.8
173.02980	9.5
175.04480	2.4
177.02428	14.3
185.02960	1.9
187.00864	26.7
187.02530	1.3
188.01009	1.7
189.02489	2.4
190.98679	1.0
191.04037	8.2
196.99307	6.4
199.00906	1.1
201.02437	1.9
202.89192	0.9
203.04030	3.4
205.01942	11.9
206.02274	0.9
208.99680	1.6
215.00352	35.5
216.00526	1.7
217.02032	2.0
217.05484	1.0
219.03506	11.5
220.03865	1.0
221.04935	1.5
229.01949	16.0
233.01404	4.6
238.01894	1.1
241.55579	0.9
245.05040	3.5
247.02992	58.1
248.03262	3.6
261.02982	1.1
265.04068	12.4
265.07684	1.6
266.04422	1.0
270.04526	1.1
272.82642	0.8
276.84125	0.9
283.05078	1.0
288.98962	1.2
289.03979	10.5
307.05014	6.7
307.08206	5.4
307.16083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04510	3.1
56.97527	3.4
58.99594	16.3
63.65928	3.2
68.88531	2.9
69.55986	3.0
70.06588	11.7
70.09159	12.0
71.06866	2.8
72.08155	11.9
76.02232	100.0
76.03970	3.5
79.40643	3.0
81.04545	6.7
83.04977	4.3
84.04510	40.4
84.08161	7.0
86.09721	3.2
86.99063	5.9
95.67417	3.2
98.97542	4.1
116.01709	18.4
119.01914	7.8
122.07155	52.5
130.04970	11.1
136.07549	3.8
142.03242	9.3
144.01161	9.9
144.04784	33.8
150.96851	3.2
162.02222	34.7
164.08195	58.3
165.00116	3.9
177.00984	19.9
179.04880	38.0
183.01173	8.9
200.69315	3.3
215.04764	5.8
217.04062	4.3
219.01976	18.1
233.05962	13.6
243.02039	5.8
259.05173	6.2
259.97250	3.3
261.03076	93.7
262.03299	13.8
284.04822	4.3
284.96304	4.1
296.86066	3.2
301.98215	4.4
302.97153	3.4
306.22672	6.0
307.12198	4.1
307.23151	6.9
308.09140	3.7
314.22086	3.5
325.02322	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68509	2.4
57.31804	2.3
58.80291	2.3
69.44444	15.7
87.01830	2.2
94.93002	2.6
98.23389	4.4
101.00874	3.1
101.65923	2.7
109.28829	2.4
112.89619	4.8
119.01870	3.9
131.01862	2.1
173.02963	3.3
205.03603	2.7
230.25237	2.7
232.92189	3.5
291.06613	2.5
307.07797	100.0
308.08206	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45897	2.5
56.05024	4.3
58.06601	70.6
58.99591	2.6
59.06927	7.4
67.05499	5.6
70.06579	8.7
71.28706	3.1
72.08147	12.6
74.06082	2.5
76.02217	5.6
79.05481	4.1
81.07063	9.0
82.06560	3.0
84.04499	4.8
84.08144	7.8
85.02877	3.2
86.09709	3.3
88.92748	2.9
91.05457	4.2
93.07021	5.5
95.08613	4.2
97.02905	2.3
103.93395	2.7
105.07040	2.7
106.67902	2.4
107.08613	5.5
109.02818	2.6
114.10302	6.1
117.03387	3.3
120.08102	4.6
121.04620	2.3
121.10120	4.8
124.23430	2.2
126.22656	2.2
128.72893	2.8
130.06532	96.0
132.04465	26.8
135.11705	3.2
145.02867	21.9
146.06013	7.7
149.05991	3.6
157.07625	88.7
158.06026	100.0
159.06447	2.9
173.07182	4.8
175.08661	43.6
177.05453	32.7
199.08604	2.7
201.06635	6.9
203.08377	4.2
221.09245	3.3
243.07655	11.3
253.19881	4.6
261.08743	41.5
261.11545	5.4
270.20593	3.8
271.07095	2.8
271.20905	5.2
288.21649	12.7
289.08099	7.2
289.22061	16.0
290.14832	3.6
304.75064	2.4
306.22681	34.5
307.09445	3.5
307.17813	25.5
307.23053	50.2
307.26559	2.4
308.15674	3.4
310.60611	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
53.60867	1.7
55.01876	4.8
57.03429	5.2
60.05643	2.4
61.02934	3.9
67.93622	1.8
68.29107	1.8
69.03081	4.0
69.03428	46.7
69.16414	14.9
69.50417	1.8
70.06610	4.0
71.04974	10.4
72.08159	9.4
73.02934	4.1
79.05492	2.6
81.03414	34.1
84.08158	2.8
85.02901	85.2
86.09725	2.8
89.03918	3.2
93.03417	2.5
97.02887	33.2
99.04453	43.4
103.03938	79.0
109.02869	22.6
114.10306	12.3
117.03363	14.9
118.06575	4.1
120.08104	2.2
127.03910	100.0
129.10265	2.2
131.12932	5.8
145.02861	39.1
145.04958	26.7
145.07568	3.6
146.03154	2.5
147.09146	3.8
149.05943	3.8
155.61325	2.0
163.03902	7.4
163.06055	4.5
173.07124	5.8
175.08614	2.5
177.05455	70.7
187.06021	17.8
189.01842	12.1
191.08156	31.8
205.07112	7.3
207.02939	5.1
214.06520	2.3
271.08069	3.4
290.15060	7.4
307.05978	22.6
307.12921	27.4
307.17654	44.3
308.06567	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
57.03437	6.8
61.02919	7.2
69.03432	41.8
69.43901	10.1
70.66794	2.1
71.04984	9.0
73.02921	4.3
81.03428	35.7
85.02911	77.2
97.02894	34.1
99.04454	38.0
103.03951	64.1
109.02885	26.5
120.08161	2.2
127.03925	100.0
145.02855	4.3
145.04955	20.9
163.03918	3.3
163.06099	2.7
177.05470	6.6
187.06055	17.4
189.01904	2.8
205.07034	6.1
269.02814	2.0
271.08179	3.7
307.05963	7.8
307.17654	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	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01883	3.2
57.03426	4.0
61.02925	4.3
69.03080	3.4
69.03432	40.6
69.68631	5.9
69.69041	2.6
70.67988	1.6
71.04997	8.8
73.02930	3.5
81.03410	29.3
85.02904	80.9
97.02888	31.3
98.22611	3.7
99.04447	42.7
99.05090	2.4
103.03943	75.4
109.02880	23.8
114.12543	1.8
127.03917	100.0
142.49803	1.7
145.02953	2.7
145.04968	26.8
163.03928	4.5
163.06017	3.7
187.06026	18.3
189.01901	9.9
191.08186	6.4
205.07104	6.3
207.02997	3.5
271.08243	2.4
307.05905	16.1
307.12988	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02948	1.4
53.03939	8.3
55.01880	2.7
56.27701	1.7
57.03437	5.3
61.02925	3.2
63.75383	1.5
69.03427	43.6
70.64284	2.4
71.04996	8.4
73.02904	5.7
81.03415	34.6
84.08136	2.0
85.02901	93.4
93.06999	1.6
95.69981	1.4
97.02882	34.4
99.04447	50.8
103.03939	76.0
104.04287	1.5
109.02872	25.5
115.03979	1.7
127.03911	100.0
128.04239	2.8
145.02892	3.2
145.04941	29.3
163.03891	4.8
163.05989	3.9
177.05554	4.5
187.06047	17.4
189.01877	7.1
205.07042	8.9
249.99989	1.6
271.08197	2.0
307.05823	8.5
307.17911	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	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62361	2.2
53.03941	8.5
56.05587	1.7
57.03429	6.4
61.02913	3.2
64.61984	1.6
69.03428	41.0
69.57983	10.3
71.04987	7.9
73.02902	4.5
81.03419	31.9
85.02902	87.6
87.04459	2.0
90.84920	1.8
91.03947	1.9
97.02887	30.2
98.23317	2.1
99.04448	47.6
103.03940	78.8
109.02884	27.1
115.35615	1.6
121.09969	2.0
126.16032	2.0
127.02951	4.8
127.03908	100.0
145.02954	2.1
145.04948	26.3
163.03879	4.3
163.06038	4.2
187.06010	17.8
203.67516	2.0
205.07175	9.3
244.95351	1.9
299.15585	2.2
307.06055	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
53.80057	2.5
57.03429	6.8
57.07062	2.6
64.92772	2.4
67.05509	4.9
69.03430	40.8
69.07059	6.8
70.06574	3.5
71.04992	8.8
73.02916	3.9
76.02230	3.0
79.05491	5.9
81.03418	46.2
81.07062	9.4
84.08167	2.8
85.02904	83.8
87.04459	2.7
91.05493	4.5
93.07074	5.8
95.04965	3.6
95.08605	8.5
97.02896	32.0
98.23356	7.9
99.04455	46.3
103.03945	70.7
105.07034	6.9
107.08597	4.1
109.02885	28.2
109.10176	6.4
121.10158	3.3
123.09195	2.9
127.03910	100.0
135.04428	8.8
145.02867	4.8
145.04956	21.6
163.03891	35.4
163.11188	3.4
187.06038	18.8
205.07085	7.6
209.53792	2.2
271.08127	3.5
306.26279	4.0
307.08173	11.0
307.26669	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
54.99765	2.2
55.01876	4.5
55.05510	8.4
57.03437	7.2
57.07092	3.8
60.53080	1.7
61.02940	2.4
65.22529	2.0
67.05505	9.1
67.07137	2.0
69.03426	50.3
69.07054	6.1
69.61644	9.9
70.06605	3.2
71.04980	9.6
72.08161	3.1
73.02923	4.6
74.28381	2.2
76.02230	3.4
79.05493	6.4
80.63075	2.1
81.03420	38.8
81.07062	19.3
83.04960	3.7
83.08608	3.7
84.08141	5.1
85.02903	91.5
86.09724	2.2
87.79452	2.3
91.05499	8.5
93.07047	9.3
95.04976	3.9
95.08611	16.0
97.02894	38.2
97.10194	2.6
98.23309	4.8
99.04457	47.9
101.06030	2.4
102.09209	2.4
103.03947	89.3
105.07011	4.9
107.08604	9.2
109.02879	27.0
109.06535	3.2
109.10178	9.5
111.08135	2.2
117.06938	2.6
119.08582	4.7
121.06517	3.6
121.10161	8.2
123.11695	3.2
127.03917	100.0
131.08563	3.6
133.10149	4.4
135.04430	2.5
135.11720	3.7
137.05959	2.6
145.03049	2.3
145.04971	28.0
145.10146	4.2
147.11707	3.1
149.13185	3.8
151.07553	3.6
163.03946	11.2
163.06078	7.6
163.11215	3.4
169.10036	3.1
181.12213	2.6
187.06010	20.1
205.07066	7.2
271.16937	3.8
289.18121	5.1
292.41812	2.5
306.13528	2.2
306.24216	6.8
307.10992	2.2
307.15256	5.3
307.18967	7.4
307.24362	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	307.1765
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
53.03925	0.5
54.59902	0.4
55.05484	0.4
55.51175	0.3
57.20948	0.6
60.05649	4.9
63.02370	0.6
65.49211	0.4
65.57101	0.4
69.03424	0.9
69.42083	0.8
69.42496	1.9
70.06583	1.2
71.60271	0.4
72.08157	10.8
81.03413	0.5
84.04506	3.6
84.08146	0.8
85.02913	2.6
86.09700	0.6
89.03912	4.2
89.10789	0.8
91.05500	0.6
91.14431	0.3
94.86449	0.4
97.02886	0.6
97.07664	2.5
98.06023	1.1
98.23344	0.4
99.04455	1.6
103.03954	2.7
103.05470	1.0
108.16344	0.4
109.02863	0.7
114.10291	19.7
115.08662	2.6
115.10638	0.5
117.03382	18.9
118.03752	0.5
120.08106	8.6
127.03909	3.1
129.10225	0.4
130.06522	5.4
131.12917	6.6
132.04433	1.3
134.03647	1.1
135.04410	0.9
140.26654	0.4
144.06561	4.3
145.02847	62.8
146.03185	2.1
147.04298	0.4
149.05980	7.2
157.07616	4.5
157.10857	1.8
158.06012	5.8
161.09235	4.0
163.03908	2.2
167.02791	0.5
175.08661	2.0
177.05467	100.0
178.05884	2.6
187.06308	0.5
232.12035	0.5
243.07858	0.5
247.14432	2.7
248.10535	0.6
248.12730	2.7
261.08823	2.1
261.11234	0.4
265.15463	0.9
280.40735	0.4
290.15009	6.3
307.17642	63.3
308.18234	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1765
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
57.20958	0.4
60.05652	2.5
62.55279	0.4
63.02355	0.4
69.03442	2.6
69.71272	1.6
69.71683	0.8
70.06586	0.5
72.08154	5.8
73.02904	0.3
74.15426	0.4
81.03418	2.4
84.08126	0.4
85.02911	6.3
85.03392	0.3
86.09703	0.6
89.03922	2.7
97.02878	2.7
97.07664	1.8
98.06033	0.6
98.22631	0.4
99.04446	3.4
103.03942	5.8
109.02869	2.3
114.10293	14.3
115.08690	3.7
115.10658	0.4
117.03387	13.7
120.08105	0.8
127.03917	6.4
131.12929	3.7
134.03656	1.1
135.04390	0.9
145.02849	57.1
145.04913	2.0
146.03192	1.8
149.06003	6.0
157.10837	1.2
163.03883	1.2
165.84975	0.5
167.89388	0.4
177.05472	100.0
178.05836	2.4
187.06093	1.4
189.01886	0.4
205.06889	0.4
212.03928	0.4
213.33638	0.4
232.12032	0.4
247.14413	2.6
248.12823	4.5
265.15536	0.6
290.14999	8.7
290.27896	0.4
307.06046	1.2
307.17648	65.7
308.17996	2.9
315.15454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
53.70558	1.0
54.85640	1.0
55.01870	3.0
55.05503	3.8
57.03423	2.6
57.07079	1.3
63.76336	1.0
65.03922	1.3
67.05506	9.1
69.03429	1.4
69.07072	7.3
69.67696	1.9
69.68110	3.9
71.05002	1.2
73.78532	1.1
79.05497	13.2
81.03415	2.4
81.07060	14.6
83.04987	2.6
84.98393	1.0
89.56991	1.0
91.05481	17.0
93.07033	11.6
95.04964	17.2
95.08606	9.3
97.06527	14.1
98.22714	1.3
103.05499	1.8
105.07027	31.8
105.99282	1.3
107.08583	7.8
109.06532	6.1
109.10155	2.6
115.05442	3.4
117.07005	10.0
119.08573	31.6
121.06479	3.4
121.10152	9.1
123.08024	1.6
128.06223	9.8
129.07013	10.4
130.07809	4.6
131.08572	16.3
133.10127	46.9
134.10432	2.1
135.11682	1.4
141.06981	6.6
142.07767	8.1
143.08560	32.5
144.09306	4.8
145.06508	2.0
145.10120	21.5
147.08064	6.9
147.11722	5.2
149.09619	2.3
152.38197	1.1
153.06995	3.8
154.07814	5.3
155.08530	9.6
156.09337	10.9
157.10130	24.1
158.10841	4.2
159.08051	3.1
159.11699	14.3
161.09650	5.7
163.11139	1.1
165.07022	3.8
166.07709	1.4
167.08562	9.9
168.09338	4.2
169.10133	18.0
170.10863	4.1
171.11679	15.3
173.09578	1.5
173.13292	9.2
178.07690	2.7
179.08577	8.3
180.09299	3.7
181.10127	9.7
182.10930	9.8
183.11703	11.5
184.12440	3.2
185.09650	2.8
185.13243	4.9
187.11214	6.6
191.08568	2.4
192.09340	4.6
193.10101	11.5
194.10844	7.4
195.11693	11.3
196.12448	5.4
197.13281	15.0
198.13937	2.5
199.11259	1.5
199.14816	4.9
203.08563	2.3
204.09264	1.4
205.10100	4.1
206.10878	11.6
207.11694	20.1
208.12456	8.3
209.13248	12.0
210.13773	2.5
211.14793	9.5
215.14359	1.6
217.10101	3.8
218.10916	5.3
219.11671	7.4
220.12476	7.4
221.13246	19.1
222.13986	5.4
223.11345	2.1
223.14816	13.8
224.15523	2.1
225.12863	1.4
225.16386	2.3
227.14308	2.4
229.10193	1.7
231.11749	3.6
232.12512	5.3
233.13214	16.7
234.13855	6.6
235.11124	1.2
235.14777	8.4
236.11996	2.2
236.15616	1.9
237.12714	1.4
237.16382	9.2
238.17046	1.8
239.14204	1.3
239.18027	1.8
244.12469	3.9
245.13214	5.0
246.13925	3.3
247.14789	8.9
248.15576	6.3
249.12627	1.2
249.16365	8.6
250.17216	1.4
251.14331	8.4
251.17903	3.9
259.14786	12.1
260.15601	3.1
261.16360	3.9
263.17938	20.9
264.18387	1.2
265.15845	3.7
265.19461	2.5
274.17081	7.6
277.19464	1.7
279.18085	1.6
279.21002	6.8
289.19476	19.2
289.22455	1.3
292.18329	1.5
307.20554	100.0
308.20822	8.5
308.29413	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	307.2056
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.69190	1.0
53.03951	2.0
55.01864	3.1
55.05506	4.3
57.03436	2.5
57.07059	1.6
60.81499	1.0
65.03947	1.2
67.05504	12.7
67.84314	1.0
68.05820	1.4
69.03432	2.0
69.07067	6.8
70.06578	3.8
71.04972	1.4
71.30565	1.1
79.05491	13.1
81.03395	1.8
81.07056	17.7
82.07411	1.4
83.04967	1.6
83.08634	2.0
84.08145	1.8
85.06525	1.1
91.05481	16.9
93.07041	13.5
95.04965	17.1
95.08602	7.2
95.24306	0.9
96.08112	1.2
97.06536	12.2
103.05470	1.9
105.07030	29.4
107.04953	1.2
107.08577	7.0
109.06500	4.9
109.10145	3.9
115.05465	2.9
116.06268	1.5
117.07021	9.9
119.08587	28.8
121.06512	2.3
121.10137	7.4
123.08083	2.4
124.11211	1.6
128.06245	9.7
129.07008	8.4
130.07765	2.8
131.08559	17.7
133.10133	42.3
134.10474	2.2
141.07034	4.7
142.07787	11.5
143.08571	30.8
144.09367	4.0
145.06464	2.8
145.10133	18.0
146.10509	1.1
147.08031	7.9
147.11659	5.0
147.98822	0.9
148.80229	0.9
149.09645	2.6
152.06143	1.1
153.06992	3.3
154.07758	4.2
155.08536	6.7
156.09331	10.0
157.10133	21.9
158.10841	4.6
159.04118	1.1
159.08055	2.3
159.11687	16.8
161.09604	7.2
161.13234	1.3
163.11172	1.1
165.06981	5.0
166.07721	2.3
167.08534	7.2
168.09341	3.4
169.10115	16.0
170.10922	2.2
171.11719	14.5
172.12236	1.1
173.09634	1.5
173.13228	9.6
175.11215	1.6
178.07869	1.7
179.08565	8.5
180.09348	2.2
181.10130	8.8
182.10918	11.1
183.11668	11.9
184.12415	2.8
185.09590	2.8
185.13263	4.2
187.11156	5.7
191.08609	2.4
192.09413	5.1
193.10109	12.6
194.10954	8.1
195.11708	13.3
196.12489	4.2
197.13275	15.2
199.11174	2.3
199.14833	5.8
201.12608	2.1
203.08510	3.1
204.09294	1.2
205.10089	4.4
206.10860	7.9
207.11673	14.0
208.12416	7.5
209.13226	13.4
210.13969	2.2
211.14772	11.2
217.10167	4.2
218.10904	4.5
219.11749	8.1
220.12422	5.4
221.13280	21.5
222.13902	4.4
223.11174	2.4
223.14804	11.1
224.15498	2.6
225.16296	1.7
227.14343	1.5
229.10130	1.4
230.10898	1.3
231.11694	4.0
232.12451	4.3
233.13231	13.7
234.13994	5.7
235.14896	7.3
236.15456	1.7
237.12772	2.7
237.16348	7.0
238.16957	1.3
244.12482	2.9
245.13179	4.7
246.14079	3.3
247.14745	10.6
248.15552	8.3
249.16368	7.5
250.16888	1.7
251.14342	8.1
251.17990	3.2
259.14789	8.3
260.15518	3.7
261.16354	3.9
263.17944	20.3
264.18387	2.4
265.15811	1.4
265.19495	2.1
274.17203	8.1
277.15845	1.4
277.19449	1.6
279.17892	1.1
279.21078	6.5
289.19528	20.2
289.27185	12.2
292.18314	2.4
307.20566	100.0
307.28177	26.8
308.20917	7.9
308.29462	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	307.2264
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03951	2.0
55.01877	4.5
55.05510	11.3
57.03445	2.1
57.07069	17.8
57.41080	1.8
58.06591	2.3
59.05002	60.7
64.44923	1.7
67.05506	14.1
69.03415	2.6
69.07061	13.1
71.04994	2.5
71.08626	7.8
71.29849	3.0
77.46917	1.8
79.05498	11.4
81.07058	23.7
83.08612	5.3
84.08132	2.0
85.06558	3.0
85.08971	1.7
91.05490	9.0
93.07036	16.7
95.04971	24.3
95.08611	14.7
97.06542	6.5
97.10158	2.7
99.08103	6.9
105.07015	12.4
107.08602	9.0
109.06522	52.8
109.10175	6.1
115.11269	3.7
116.01677	1.8
117.07046	3.1
119.08575	14.8
119.91496	1.8
121.06525	5.9
121.10146	4.4
123.08051	4.6
123.11633	2.6
124.11252	2.1
129.06064	1.9
131.08595	8.8
133.10153	9.0
135.08044	3.5
135.11726	3.4
137.09613	2.7
142.07860	2.9
143.08598	4.8
145.10146	8.1
147.11697	2.3
149.09651	3.5
151.11223	2.1
159.11722	5.1
160.07684	1.7
163.11165	3.3
165.12752	100.0
166.13129	3.1
169.10138	2.7
171.11729	3.0
173.13304	5.2
173.15439	2.8
177.12856	5.2
183.11725	2.4
187.11115	2.0
187.14873	2.9
197.13289	2.5
209.13283	3.0
215.48271	1.9
221.13252	3.4
251.16484	6.8
261.22238	7.2
263.17929	2.2
289.21631	23.9
307.19070	9.2
307.22763	77.7
307.28198	3.4
308.23053	2.6
308.29468	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03949	5.7
55.01877	5.5
55.05508	14.9
57.03443	2.4
57.07076	2.6
58.05937	1.2
58.50920	1.2
61.26891	1.1
65.03939	2.1
67.05507	31.8
69.07071	15.0
69.60062	4.3
71.04986	2.9
79.05492	33.4
79.34736	1.2
81.03429	6.5
81.07057	100.0
83.04979	4.1
83.08623	11.8
85.06538	3.1
91.05478	19.4
93.07044	20.2
94.07401	1.4
95.04976	14.0
95.08605	21.9
97.06532	7.7
97.10183	2.8
99.08086	2.4
105.07036	18.4
107.04929	6.7
107.08600	16.7
109.05779	2.7
109.06520	47.9
109.10133	10.1
110.06866	1.4
111.08080	4.2
117.07021	5.0
119.08584	15.7
121.06519	4.3
121.10138	14.7
123.08076	8.0
123.11723	5.8
125.09616	1.9
129.07007	2.3
129.59097	1.1
131.08574	9.9
133.06464	1.2
133.10112	13.0
135.08049	3.8
135.11694	6.1
137.09653	3.2
137.13235	1.6
139.11154	1.5
143.08554	1.1
145.06477	1.1
145.10114	9.3
147.08034	1.8
147.11694	15.3
149.09647	6.0
149.13222	7.4
151.11163	4.5
157.10150	3.1
159.11671	6.4
161.13208	3.5
163.11179	7.2
163.14812	3.6
164.12965	1.1
165.12740	5.8
171.11653	1.4
173.09634	1.9
173.13245	5.9
175.11208	3.7
175.14883	1.8
179.14317	1.8
185.13258	1.8
187.01833	1.2
187.14799	2.1
189.12875	1.4
191.14352	1.8
193.12248	4.7
205.15945	1.6
207.13780	2.5
229.19537	3.3
239.17993	2.9
247.20470	6.8
257.18988	7.0
275.20062	55.6
276.20374	2.4
289.21609	1.3
307.22842	19.1
308.29279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31633	0.6
56.05038	1.9
57.98798	0.7
58.99589	19.4
69.76473	0.7
70.36525	1.2
70.36888	1.1
73.01159	0.7
76.02230	100.0
76.03986	3.2
77.02545	0.6
77.18219	0.5
80.05006	1.5
80.86778	0.6
83.06109	1.0
84.04505	36.9
85.02906	0.8
85.04830	0.9
86.99043	4.9
88.02220	1.4
98.00684	0.6
101.62134	0.5
101.97350	0.7
102.05575	0.7
114.03773	1.1
116.01682	22.0
124.18559	0.6
126.58653	0.6
130.05005	13.0
133.04335	0.6
141.04799	0.7
142.03224	11.1
142.04298	1.1
144.01146	10.5
146.02765	0.6
162.02208	36.1
163.02597	0.8
170.02710	2.4
179.04857	40.7
180.05304	0.7
187.05429	2.1
202.89102	1.1
203.89622	0.6
204.88901	2.6
215.04893	2.5
225.12196	0.7
233.05898	13.9
234.06178	0.7
245.05911	2.8
290.08173	0.8
291.06482	2.3
308.09210	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	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
50.32269	0.5
56.05037	2.0
56.94826	0.5
57.52104	0.5
57.98794	0.8
58.99589	18.7
70.36615	1.6
76.02229	100.0
76.03984	2.8
77.02577	0.7
80.05018	1.5
83.06095	0.6
84.04507	39.5
85.24086	0.5
86.99055	5.5
88.02223	1.5
98.00662	0.6
102.05534	1.2
114.03756	1.0
116.01680	22.3
116.34128	0.5
123.89505	0.5
124.02209	0.5
129.06627	0.6
130.05003	12.4
130.05928	0.9
141.04855	1.0
142.03224	11.5
143.03578	0.8
144.01146	11.5
162.02205	42.8
163.02519	0.5
170.02698	3.4
175.64128	0.5
179.04860	42.7
187.05400	1.9
204.88982	0.9
215.04869	2.2
216.03247	0.9
233.05896	13.7
245.05986	2.9
290.08133	0.7
291.06506	2.9
308.09082	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	308.1521
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
55.05506	1.1
55.41353	0.3
56.05048	0.3
57.07076	1.2
58.06598	0.4
59.05004	1.5
67.05512	2.8
69.07062	1.0
69.42326	1.6
70.04078	100.0
70.06590	1.7
71.04407	0.7
78.07546	0.3
79.05495	1.4
81.07061	2.1
83.08614	1.2
84.08134	1.1
91.05471	0.8
93.07056	0.9
95.08591	1.6
96.08120	0.5
105.07016	0.4
107.08590	0.5
109.10178	0.4
115.05435	0.5
116.06281	0.7
120.08100	0.4
121.10155	0.5
124.11280	0.5
125.01544	6.6
129.04402	0.3
129.10403	0.3
139.03062	0.5
139.72281	0.3
142.35818	0.3
151.03070	2.4
165.04630	0.8
166.13078	0.4
177.18257	0.3
177.31017	0.3
179.04755	0.4
208.36125	0.3
229.07404	0.3
290.28436	4.8
308.15231	29.4
308.29425	11.8
309.15512	1.9
309.29782	0.6
321.47180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92786	0.4
55.01879	0.6
55.05493	1.3
55.97061	0.5
56.05027	1.4
58.06599	1.3
60.04518	1.7
67.05494	0.7
69.03429	3.3
69.07059	2.0
69.22219	3.3
69.31374	0.5
70.06595	11.4
70.60163	0.5
71.05005	0.6
72.04502	0.9
72.08156	9.0
73.08501	1.1
74.06073	1.4
76.02224	2.2
79.05490	1.1
81.03420	0.7
81.07036	0.8
82.03751	0.6
83.06103	0.8
84.04501	2.4
84.08147	20.4
85.02915	1.9
85.08438	0.5
86.09212	0.9
86.09709	12.4
87.09251	1.0
87.10025	0.8
91.05482	5.9
93.07032	1.3
95.06076	1.0
95.08621	0.6
97.02901	1.1
98.22655	1.0
102.05538	0.8
103.05459	3.8
107.04975	1.4
110.07165	6.3
111.14849	0.6
112.08718	1.0
112.11262	0.7
112.86651	0.5
115.08694	54.8
116.07083	1.4
116.09022	0.7
119.04951	7.5
120.08105	100.0
121.08455	2.5
123.04404	0.7
127.03934	1.3
128.04283	0.7
128.86830	0.5
129.10234	7.3
129.13907	0.7
130.04980	0.6
130.06503	0.8
131.04945	1.8
131.06841	1.0
135.04453	0.9
136.07605	0.9
143.08160	30.5
144.08498	0.7
144.10233	3.0
145.02878	1.4
146.06010	0.9
147.04411	34.6
149.05956	1.8
149.08180	0.6
159.06378	0.9
161.12865	3.1
162.02223	0.8
163.03899	5.4
164.04239	1.5
165.05440	0.8
166.08641	55.9
167.09006	2.1
170.05954	0.6
175.08667	0.8
179.04965	1.0
183.11455	0.7
191.11815	2.1
195.07408	1.2
207.08093	1.0
220.09689	2.4
221.05998	1.0
234.06506	0.6
235.07619	1.7
237.12335	11.3
237.14705	0.8
252.14073	0.8
263.07019	4.7
271.10281	0.8
272.21344	1.0
280.06921	1.0
281.08066	2.2
290.22305	1.6
291.06598	1.6
291.16956	1.0
308.06390	2.3
308.15839	2.9
308.19748	3.2
308.23019	3.9
309.07410	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03933	0.2
55.05502	0.7
57.07074	0.5
58.02955	0.4
65.13555	0.2
66.04711	0.5
66.94930	0.2
67.05510	2.8
69.07068	1.6
69.57336	0.7
69.57742	0.4
70.06587	0.5
71.08622	1.3
78.05569	0.2
79.05500	1.5
80.94833	0.4
81.07059	3.4
83.08626	0.3
91.05479	1.5
93.07044	0.9
94.04189	2.3
95.04978	0.2
95.08615	2.4
97.06516	0.3
97.10228	0.2
98.22686	0.5
99.08086	0.6
102.13406	0.2
105.07033	0.5
107.04947	0.4
107.08598	0.6
109.06524	1.3
109.10191	0.6
119.08569	0.3
121.10166	0.3
122.03649	7.3
128.10695	0.2
133.10095	0.4
135.11737	0.4
137.05978	100.0
137.13264	0.6
138.06323	3.0
149.86128	0.2
155.14311	0.4
165.12785	0.8
171.27393	0.2
172.16937	1.0
184.16957	2.0
279.85779	0.2
290.28455	3.4
291.23172	3.7
308.22510	0.4
308.25830	1.0
308.29492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.05519	19.5
58.06606	4.2
65.03943	3.4
67.05508	62.8
69.07081	10.5
69.49341	8.4
69.49748	8.5
70.06592	16.4
76.02247	3.7
79.05485	24.1
79.92625	3.0
80.62018	4.0
80.94846	7.0
81.07063	34.1
83.08611	3.8
84.08118	3.2
84.92534	3.2
89.49687	3.3
91.05479	7.1
93.07044	21.7
93.34123	3.2
95.08609	32.9
98.97557	3.9
105.07066	4.3
107.08604	13.9
109.10159	12.0
119.08579	6.8
121.10133	8.0
123.11726	4.7
127.17237	3.3
129.18225	3.1
133.10187	4.8
135.11749	4.2
138.06308	3.7
164.91997	5.8
166.92796	3.6
216.79929	2.9
290.10223	3.3
290.28448	100.0
308.29480	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	0.3
63.75568	0.4
67.05540	0.3
69.03436	0.4
69.53947	2.2
70.06582	0.4
81.03424	0.4
82.66142	0.4
86.09708	23.2
88.03987	1.6
91.05482	25.7
92.05818	0.8
97.06543	0.4
102.19715	0.4
105.07053	0.4
107.04955	0.8
109.06482	0.7
118.06573	1.1
119.04946	16.9
120.05224	0.4
120.08080	0.4
121.06500	1.1
129.10214	0.5
136.07578	100.0
137.07938	2.8
140.35490	0.4
144.10205	2.8
146.11763	20.2
146.45178	0.4
147.04419	4.8
196.09663	0.6
212.37279	0.4
249.16017	2.7
288.02646	0.4
292.15488	0.5
309.07489	2.4
309.18100	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	7.7
53.52047	4.3
55.01877	14.3
55.05513	71.9
57.03437	14.9
59.04992	6.2
62.53152	3.3
67.05510	69.9
69.03423	16.0
69.07070	31.5
69.52573	3.7
69.92316	16.6
70.06589	4.4
71.01374	6.2
71.04993	6.2
76.02242	4.5
79.05499	59.9
81.03407	20.1
81.07062	100.0
83.04965	20.1
83.08628	38.3
84.08154	6.6
85.02868	6.0
85.06554	6.0
87.04445	3.9
91.05485	30.3
93.07045	56.4
95.04970	46.5
95.08611	54.8
95.55981	4.1
97.06507	12.0
97.10162	63.6
98.97653	3.5
99.04482	5.7
99.08115	7.2
105.07030	31.3
107.04945	9.4
107.08591	40.7
108.04842	3.8
109.06532	20.2
109.10149	26.1
111.04430	15.1
111.08095	9.3
117.07037	11.6
119.08596	30.7
121.06522	11.4
121.10124	19.5
123.08073	89.5
123.11719	11.0
125.09637	48.8
129.07042	13.4
131.08571	18.2
133.06520	4.8
133.10114	20.7
135.08043	14.3
135.11711	8.9
137.05992	4.2
137.09633	13.5
143.08575	6.3
145.10138	13.5
147.04439	15.6
147.08072	14.4
147.11696	10.7
148.42511	4.9
149.09654	9.3
151.11174	6.6
153.09134	7.4
154.05038	5.4
157.10146	9.9
159.08054	5.2
159.11674	5.5
161.09589	9.8
163.11192	18.7
165.09129	18.8
169.12280	7.5
171.11684	5.1
173.09657	4.8
173.13268	5.8
173.58614	3.8
175.11188	10.0
181.10161	4.6
181.12163	6.4
187.13330	4.8
189.11232	35.0
189.12726	6.0
193.12248	9.6
223.13266	7.8
255.17377	4.9
263.20206	8.0
273.18494	43.1
281.12823	8.3
291.19592	70.9
309.12399	29.3
309.16739	57.2
309.20535	34.8
309.26053	9.3
310.12961	5.1
310.16928	6.0
322.49582	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21846	5.0
52.59736	5.1
53.03955	7.6
55.05519	24.6
58.28362	5.4
67.05508	58.4
69.07071	18.8
69.14968	11.5
69.15363	30.2
71.08636	57.5
71.56411	5.2
72.60135	4.8
79.05507	51.6
81.03406	8.3
81.07064	65.2
83.04987	14.3
83.08609	12.3
85.06542	5.9
91.05477	31.6
93.07051	72.3
95.04990	10.5
95.08614	52.8
97.06535	16.4
97.10195	7.2
98.23300	10.1
99.08102	49.0
105.07045	21.3
107.04939	8.5
107.08608	41.9
109.10157	18.7
116.87247	4.7
117.07008	5.4
119.08588	16.3
121.10147	33.2
133.10147	8.8
135.11707	36.3
145.10191	5.2
147.11658	7.4
149.13295	13.9
151.11212	20.2
161.13310	13.3
163.11220	9.5
179.14310	100.0
180.14679	5.2
185.13393	5.1
195.71475	5.5
257.20740	5.1
277.21591	52.4
310.30981	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	310.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.4
56.96555	0.9
60.04527	19.8
67.05519	0.7
70.02956	1.5
70.06307	0.6
70.06599	5.9
71.29439	0.9
72.08156	3.0
73.89728	0.7
79.05482	1.2
79.87604	0.7
81.99996	0.6
84.04491	1.6
84.08143	32.5
84.34717	0.7
85.02921	2.3
85.08510	0.7
86.09690	2.0
87.05593	10.5
88.03969	1.4
90.05512	0.6
91.05485	5.5
93.07024	1.5
95.04956	0.9
97.02913	0.9
101.10802	1.1
103.05450	3.1
103.92846	0.7
105.07036	2.9
107.04948	1.8
110.07175	3.7
112.08724	1.1
113.06011	0.7
116.07087	1.0
117.06566	1.4
118.06547	1.1
119.04956	4.6
119.07311	1.4
120.08102	100.0
121.08432	2.5
129.10226	8.0
130.08641	2.8
132.08083	0.9
133.06471	0.9
134.09669	1.9
134.72556	0.8
136.07576	38.3
137.07903	0.9
144.08072	14.0
145.06039	3.4
147.04428	1.3
147.11287	3.3
148.04808	1.2
156.07692	1.1
162.09126	12.7
166.08643	9.8
177.10188	1.7
193.09715	17.8
207.11282	69.2
208.11617	1.7
211.10518	1.4
221.09195	0.9
223.10774	7.3
235.10765	6.3
251.05374	1.4
255.44333	0.8
293.14838	1.0
305.13727	1.6
310.17444	12.4
310.20923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.05041	1.6
58.06602	100.0
59.06926	1.0
69.89027	0.4
70.06614	0.7
71.29591	0.4
73.05302	0.9
78.17458	0.5
79.34062	0.4
81.07025	0.6
84.08156	0.9
88.07639	1.6
96.08125	0.6
100.11241	0.7
114.09157	0.7
118.08678	1.8
120.19594	0.5
125.42896	0.4
140.22432	0.4
155.01109	0.4
167.83595	0.5
168.20836	0.4
294.90897	0.4
310.16519	1.0
310.20056	17.1
311.20148	0.6
311.23367	0.8
315.08621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2738
Annotation	Dicyclomine
Peak:m/z	Relative Intensity
52.98845	0.2
53.03953	0.3
55.05516	0.7
56.05030	1.2
58.06590	0.7
67.05506	0.4
69.07047	0.7
70.06587	1.2
70.89351	0.5
71.04972	0.3
73.69099	0.2
78.25623	0.2
79.05480	0.9
81.07052	1.1
82.06596	1.5
84.08147	1.1
93.07047	1.1
95.07360	0.9
97.06535	3.2
100.11126	0.2
101.88786	0.3
108.08099	1.4
110.09681	17.9
111.10027	0.4
128.10716	100.0
129.11067	2.2
292.26413	0.3
310.27393	32.3
311.27756	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	310.3105
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
53.03949	1.8
55.05513	15.0
56.05038	0.9
57.03443	1.7
57.05809	0.9
57.07067	3.3
58.06605	4.0
65.03921	1.2
65.31194	0.7
67.05509	24.5
69.07072	17.1
70.06597	14.1
70.55882	1.7
70.56212	0.9
71.08627	1.1
79.05492	6.0
81.07056	21.4
83.08623	7.1
84.08134	1.7
86.93834	0.7
91.05457	1.2
93.07042	5.4
94.02539	0.8
95.08613	20.3
97.10177	3.8
107.08621	4.0
109.10155	8.7
111.11725	1.2
112.11284	0.9
121.10107	3.6
123.11729	2.1
126.99503	0.7
135.11670	1.4
143.75972	0.7
149.13258	1.8
163.14795	1.0
181.81946	0.8
182.19055	1.3
202.26956	0.7
209.11653	1.3
227.33044	0.8
292.29987	100.0
293.30286	7.8
310.31036	28.7
311.26019	0.7
311.31311	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	311.183
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41496	0.6
62.34003	0.7
69.86529	0.7
70.03034	1.6
70.03383	1.5
72.08155	0.9
73.72697	0.6
76.76904	0.8
143.21103	0.7
145.51292	0.9
200.97134	0.7
311.18289	100.0
312.15518	1.2
312.18689	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	311.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
63.92059	0.4
69.07064	0.7
69.36516	1.2
69.36915	1.2
70.06570	0.7
72.08170	0.7
83.08603	0.8
100.07622	0.4
100.11246	3.1
104.85262	0.4
107.46280	0.5
111.04385	0.5
128.07091	0.4
141.11507	0.7
168.13951	1.0
181.04947	0.5
182.15427	1.2
196.13353	0.9
199.17993	0.8
209.11641	0.4
210.14806	0.8
216.34402	0.4
296.60324	0.4
311.18277	100.0
312.15375	0.6
312.18634	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.41813	2.8
55.01876	36.1
55.05514	62.7
57.03431	4.1
57.07079	5.5
59.05002	2.6
65.03943	2.6
67.05509	49.0
69.03432	6.4
69.07059	27.7
69.58104	10.1
69.58519	5.6
71.04997	18.9
74.73615	2.9
79.05498	69.6
81.03429	8.2
81.07063	87.5
83.04988	36.0
83.08617	32.1
83.10885	3.2
85.06562	7.1
91.05483	41.1
93.07051	39.0
95.04990	19.6
95.08611	39.1
97.06537	40.0
97.10161	30.8
98.22570	3.7
99.08093	10.5
99.31417	3.0
105.03384	3.9
105.07033	38.3
107.04957	6.8
107.08601	100.0
109.06537	12.9
109.10162	16.2
111.04439	6.0
111.08117	10.6
113.06004	11.5
117.07032	10.5
119.08594	16.3
121.06508	3.5
121.10159	15.9
123.08063	4.2
123.11744	6.9
125.05991	7.5
125.09637	69.4
129.07036	4.8
130.08678	3.5
131.08577	17.4
133.10146	12.4
135.08055	5.5
135.11699	12.9
137.09660	4.6
139.11229	6.0
142.74907	3.3
143.08543	4.1
143.10678	2.6
145.10121	18.2
147.11691	12.1
148.56468	2.8
149.09648	12.0
153.12779	18.2
157.10091	4.1
159.11714	9.9
163.11139	14.2
167.10684	6.1
169.10167	5.7
171.11690	4.5
175.11189	3.1
177.12761	11.2
181.12354	6.8
187.11281	4.1
189.11218	22.8
189.12695	4.0
193.12271	5.6
205.12222	7.5
213.14893	5.5
223.13326	14.6
257.19064	4.8
275.20071	61.6
276.20450	4.0
281.04062	2.8
293.21136	39.2
312.25085	8.9
312.28568	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.7
67.05502	29.7
69.07076	18.6
72.08167	14.4
79.05566	12.6
81.07082	13.8
91.05514	15.1
93.07011	14.0
95.08641	14.1
105.07045	24.6
109.10144	18.8
181.04951	17.0
202.25227	10.9
275.20084	26.3
311.14609	36.0
311.18329	100.0
311.26129	12.9
312.15585	19.0
312.29071	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01871	12.9
55.05516	45.3
57.03458	11.0
57.07073	11.2
58.06602	19.9
67.05509	65.2
69.03431	16.2
69.07064	50.4
70.06606	16.9
71.01742	9.1
71.04986	12.9
71.30196	10.3
72.08157	20.2
79.05501	42.7
81.07052	84.3
83.04984	12.7
83.08616	27.4
84.08143	16.4
85.02870	8.9
85.06536	19.8
86.09721	12.6
91.05464	46.4
93.07043	55.3
95.04973	36.2
95.08608	76.2
97.06543	20.2
97.10145	17.2
99.08086	12.5
105.07050	38.5
107.04958	10.4
107.08574	44.5
109.06508	16.1
109.10159	38.7
110.07146	16.6
111.08028	10.7
111.63333	8.6
114.09162	10.3
117.07031	23.4
119.08590	28.6
120.08110	10.3
121.06523	14.6
121.10165	27.7
123.08079	10.7
123.11716	14.0
128.10727	14.3
129.06955	13.4
131.08589	27.1
133.10126	41.9
135.11696	12.1
137.05983	11.5
143.08582	12.8
145.10193	24.5
147.11670	20.9
149.09615	18.1
149.13297	10.3
157.10072	11.8
159.11742	12.6
171.11710	11.1
175.14748	10.6
181.10208	9.0
189.11165	10.2
191.08418	10.4
208.10127	10.2
219.08133	11.7
251.12001	50.5
252.12381	11.4
257.19012	10.9
265.13367	13.1
270.44495	11.0
275.20102	71.7
279.10358	11.4
293.21274	10.2
294.24319	15.0
311.10358	20.3
311.14050	100.0
311.18094	20.7
311.23416	9.3
312.14810	11.2
312.25360	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03950	4.5
55.01881	14.2
55.05516	70.5
57.03436	12.9
57.07079	23.7
57.77088	2.0
59.04995	3.1
67.05505	42.7
69.03427	3.7
69.07070	37.1
69.52622	9.2
71.08640	9.8
79.05495	27.0
81.03436	7.3
81.07062	45.4
83.04987	23.5
83.08626	55.5
85.06548	3.3
85.10192	5.2
85.19454	2.4
87.39371	2.4
91.05478	14.5
93.07050	22.3
95.04977	46.0
95.08608	21.4
97.06544	10.8
97.10174	46.6
99.04465	5.9
99.08111	5.3
105.07054	11.4
107.04961	7.9
107.08590	23.3
109.06518	5.3
109.10168	13.3
111.04445	32.6
111.08103	11.7
111.11757	2.4
113.09661	5.3
115.51105	2.7
117.07003	3.7
119.08601	9.5
121.06544	4.0
121.10162	13.3
123.08061	4.1
123.11710	3.7
125.05992	4.3
125.09638	33.4
126.39355	2.5
129.06953	3.3
131.08603	8.9
133.10158	6.3
135.04430	14.4
135.08080	2.8
135.11703	11.4
145.10138	8.9
147.11716	5.4
149.09627	10.6
149.13237	4.1
151.11269	2.5
153.05487	10.2
153.09109	18.5
153.12804	6.9
159.11673	2.7
161.09633	7.4
163.11186	24.5
165.12755	4.3
171.10162	3.7
173.09650	3.1
181.04956	5.9
181.12267	11.8
187.11223	3.5
189.11241	31.7
191.10640	13.5
209.11731	47.3
210.12105	3.1
211.13522	2.9
219.21016	2.8
223.13292	25.3
227.12775	3.2
235.67195	2.5
237.11226	40.4
237.22079	3.4
247.20671	5.9
255.12303	9.2
275.20102	24.7
293.21124	100.0
293.24484	4.7
294.21631	3.8
311.22375	3.9
311.25766	42.5
312.15393	3.9
312.32486	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	311.2215
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.30545	2.0
55.01871	4.7
55.05508	10.1
57.03430	4.0
57.07078	47.8
58.06603	60.1
58.07386	3.3
67.05515	14.8
69.07081	11.1
69.49321	8.9
70.04081	49.0
70.06565	2.2
71.03783	5.0
71.04412	6.4
71.04980	2.9
71.08616	4.6
72.08157	14.7
73.08486	2.2
77.22098	2.1
79.05479	12.3
80.05827	2.4
81.03422	4.5
81.07058	32.2
82.07384	4.9
83.04983	8.3
83.08615	8.0
84.08144	4.7
85.10176	4.2
86.09714	2.6
91.05482	8.1
93.07036	13.4
95.04984	5.9
95.08611	16.1
97.06548	9.8
99.04449	2.5
104.62231	2.2
105.07033	10.7
107.04962	4.3
107.08601	11.2
108.08151	1.8
109.02855	2.7
109.06521	3.9
109.10166	9.3
110.09676	6.9
110.10387	2.1
111.04420	11.1
111.08056	2.7
117.07027	4.5
119.08585	7.9
121.10165	5.0
123.04464	3.1
123.08112	4.8
123.11696	2.6
125.05995	6.9
125.09678	3.2
127.01242	2.3
127.07544	2.1
131.08575	4.3
133.10150	4.0
135.04428	6.7
135.08093	4.4
135.11690	3.4
143.08524	2.5
145.10136	7.6
147.11681	3.4
149.09665	4.0
149.13243	3.5
151.03937	6.3
153.05467	17.7
157.10190	2.5
163.03929	5.0
163.11194	5.1
169.15982	3.0
173.09630	4.0
181.04976	9.3
181.12242	7.1
188.46051	2.1
191.10678	15.2
199.05978	20.3
209.11725	66.6
210.12132	2.7
231.11604	2.4
237.08940	4.6
237.11232	59.7
238.11684	2.5
255.12262	18.7
265.17990	24.6
266.25641	5.7
275.20032	8.9
293.17712	3.9
293.21133	5.9
294.27881	6.1
311.15274	17.9
311.18353	3.4
311.31384	100.0
312.15546	2.8
312.28925	24.5
312.32025	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01880	13.1
55.05518	33.6
57.07084	30.4
67.05511	29.6
69.07070	18.5
79.05499	23.0
81.07066	25.8
83.04994	24.7
83.08649	21.7
85.02898	6.3
85.06554	3.7
86.71570	3.0
91.05495	12.9
93.07066	29.1
95.04968	45.1
95.08612	14.4
97.06574	4.6
97.10161	17.3
98.23363	7.4
99.04454	6.3
105.07036	12.3
107.04945	6.9
107.08595	19.7
109.02908	4.7
109.06540	6.2
109.10195	5.4
111.04453	47.1
111.08139	8.0
114.10339	4.5
114.99823	3.5
117.07063	7.0
119.08601	9.4
121.10143	17.1
125.06017	9.5
125.09641	20.0
131.08560	10.7
133.10156	9.1
135.04427	4.1
135.11732	9.1
140.03490	3.0
145.10150	13.6
147.11694	5.0
149.09637	28.1
153.05463	17.6
153.09062	4.0
153.12776	6.7
159.11681	7.2
161.09648	4.6
163.11198	29.2
181.04984	12.9
181.12267	14.7
189.11205	17.2
191.10660	19.0
205.12311	5.3
209.11757	100.0
210.12068	3.6
223.13290	54.4
236.31413	3.7
237.11229	81.6
237.14769	3.7
238.11540	5.0
255.12325	15.2
275.20120	52.9
293.17807	3.9
293.21088	42.7
294.21271	3.6
311.18713	5.5
311.21979	5.6
312.15704	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01876	8.2
55.05518	41.2
57.03445	9.5
57.07076	37.5
64.98118	5.2
67.05508	52.9
69.03436	5.4
69.07075	66.3
70.32468	4.3
71.04981	4.6
71.08644	7.7
79.05497	38.2
81.03424	6.9
81.07053	54.6
83.04988	12.8
83.08627	25.4
83.19846	4.4
85.10176	5.5
87.58589	4.3
91.05485	41.0
93.07047	89.2
95.04985	56.4
95.08609	100.0
95.09170	8.7
97.06541	33.6
97.10190	12.1
98.23411	7.0
105.07045	76.1
107.08598	54.3
109.06539	12.5
109.10149	47.8
111.04456	17.9
111.08033	4.8
115.05508	6.7
117.07044	16.6
119.08587	70.8
121.06519	20.5
121.10143	51.1
123.08094	15.8
123.11721	21.2
125.06033	9.1
129.07047	7.4
129.48918	4.2
131.07709	4.8
131.08516	24.5
133.10167	34.6
135.04424	39.7
135.08072	16.9
135.11702	26.6
137.09634	9.7
137.13283	7.6
142.07808	9.5
143.08568	12.4
145.10158	36.3
147.11690	26.0
149.13260	7.5
153.05479	15.7
157.10143	31.3
159.11705	49.7
161.09602	32.2
161.13310	15.0
163.11253	6.0
169.10178	16.1
171.11729	8.0
173.13289	12.0
175.14874	11.6
177.16391	24.5
179.08522	5.2
181.05054	9.4
181.12143	5.9
183.11711	5.6
185.13263	7.1
187.11264	5.6
187.14909	9.5
189.16417	20.4
191.10696	8.3
197.13263	6.2
199.14851	10.4
201.16464	12.0
209.11729	75.8
209.13513	6.3
211.14755	6.7
215.17975	8.1
223.14793	5.4
226.38036	5.3
233.93839	5.1
237.11215	67.8
255.12219	12.8
269.18405	4.9
293.22610	5.4
311.16513	6.5
311.23639	27.6
311.26178	18.8
311.31378	8.9
312.15692	6.0
312.32870	5.9
312.36380	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.94679	0.7
55.01849	1.2
55.05511	60.3
57.03159	1.2
57.03436	23.6
57.06795	1.7
57.07073	30.4
58.55410	0.8
67.05247	0.7
67.05505	8.6
67.15549	0.8
69.07066	69.5
69.51141	1.7
69.51539	3.4
71.04970	1.2
71.08631	16.3
73.02936	1.0
79.05489	5.2
81.07055	11.8
83.04971	1.9
83.08615	57.2
84.08942	0.9
85.10188	5.9
87.99372	0.8
91.05423	1.0
93.07030	6.7
95.08603	7.8
97.06544	5.5
97.10166	41.0
98.10499	1.5
98.23409	1.4
107.08604	6.4
109.10128	3.3
110.80431	0.8
111.08074	3.6
111.11713	11.3
121.10136	6.6
123.11697	1.9
125.09608	2.3
125.13247	3.0
135.11676	5.2
137.13254	1.0
139.11186	1.6
149.13277	3.1
153.12750	1.1
177.16479	0.9
201.45876	0.8
219.21153	1.6
228.55705	0.8
237.22209	1.2
311.25769	100.0
312.26074	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03950	1.5
55.01861	1.6
55.05511	54.3
56.05851	0.6
57.03438	32.8
57.07076	20.9
58.06606	2.2
59.04996	1.0
65.03945	1.2
67.05505	39.5
68.05827	0.5
69.03432	0.7
69.07066	73.6
69.43777	2.2
70.07403	1.3
71.05000	2.8
71.08629	10.1
71.09008	0.7
72.08176	0.7
73.06560	0.8
77.03953	0.4
79.05491	18.1
81.03436	0.4
81.07056	47.2
82.07397	1.5
83.04973	3.3
83.08616	44.9
84.08955	0.4
84.71210	0.3
85.06535	2.7
85.10178	4.7
87.08125	0.4
91.05459	3.6
93.07043	23.5
94.07359	0.6
95.04987	1.2
95.08604	36.6
95.89942	0.4
96.08953	0.6
97.06528	8.5
97.10167	23.5
97.83559	0.3
98.09695	0.3
98.23241	0.5
99.08101	2.2
101.06024	0.7
105.04504	0.4
105.07043	1.3
107.08593	16.7
108.08913	0.4
109.06533	0.6
109.10153	13.2
110.09719	0.4
110.10440	0.4
111.04464	1.0
111.08079	5.0
111.11716	6.7
113.09649	0.9
115.07646	0.4
115.11236	0.4
116.17722	0.4
117.79385	0.4
119.08572	0.5
121.10137	24.1
122.10554	0.6
123.11703	6.6
125.05954	0.5
125.09608	3.3
125.13287	1.4
127.11221	0.8
129.09079	0.4
131.08560	0.4
133.10149	0.6
135.04373	0.4
135.11687	17.6
136.12050	0.5
137.13245	4.9
139.11165	3.1
145.10118	0.5
145.16269	0.3
147.11778	0.4
149.13249	7.4
151.14847	0.8
153.05511	1.1
153.12741	2.2
157.10182	0.3
159.11705	0.4
163.11116	0.3
163.14847	3.3
167.14308	1.1
177.16391	1.1
181.05020	0.7
181.12306	0.6
191.10628	0.5
209.11703	6.3
209.13495	0.4
219.21057	4.3
237.11198	4.5
237.22130	5.0
255.12144	1.0
293.21347	0.4
311.25793	100.0
311.30887	5.7
312.26129	6.7
312.29123	1.2
312.32159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.81349	1.1
53.03941	1.6
55.01868	1.9
55.05510	80.8
57.03437	25.3
57.06798	2.1
57.07074	35.8
57.41449	0.9
67.05503	11.5
69.07066	80.2
69.14123	8.9
69.14455	1.5
70.07400	1.4
71.08630	20.1
73.02916	1.2
79.05497	7.4
81.07055	15.1
82.50259	1.0
83.04958	2.4
83.08617	67.4
85.10174	8.0
89.71161	1.1
93.07030	7.9
95.08600	10.0
97.06533	6.7
97.10166	46.9
98.10523	1.2
99.08088	1.1
101.06020	2.0
107.08607	6.2
109.10152	3.8
111.08074	2.6
111.11724	15.2
121.10137	8.4
123.11750	2.6
125.09634	2.0
125.13278	3.5
135.11722	5.4
137.13228	1.2
139.11189	1.7
149.13268	2.5
154.27747	1.0
163.14851	1.4
170.39926	1.0
181.15738	1.3
219.21078	2.2
237.22049	1.5
311.25775	100.0
312.26059	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40062	0.8
52.51722	0.8
53.03945	1.4
55.01874	1.5
55.05512	58.2
57.03439	24.0
57.07076	27.4
59.05003	1.1
67.05505	8.8
69.07066	66.2
69.19272	5.9
71.08632	19.5
73.02904	1.2
79.05482	6.2
81.07062	13.6
83.04976	1.9
83.08618	56.9
84.08949	1.1
85.10185	6.6
93.07051	6.6
95.08615	8.4
97.06540	6.9
97.10168	41.7
107.08607	5.2
109.10158	3.2
111.08085	2.3
111.11710	13.7
121.10139	7.0
123.11691	2.0
125.09622	1.9
125.13251	2.7
135.11708	5.9
139.11166	1.4
149.13277	2.9
150.39862	1.0
163.14801	2.0
219.21083	1.4
221.79405	0.8
237.22083	1.4
311.25778	100.0
312.26144	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.4
55.05500	0.5
56.05022	0.3
56.96566	25.9
60.05631	0.3
69.03442	0.3
69.33591	0.9
69.34012	1.1
70.06593	3.4
71.04987	0.3
71.95271	2.1
72.08160	1.7
74.97584	0.5
81.03406	0.3
83.06080	0.4
83.97645	0.9
84.04480	0.3
84.08147	2.4
84.78371	0.2
84.96027	1.9
85.02942	0.3
85.08466	0.4
86.09708	4.0
91.05485	0.3
97.99162	0.3
98.97585	71.6
99.97920	0.7
108.05594	0.3
110.07169	5.2
110.97543	0.4
112.08718	0.4
112.97649	0.4
114.95570	0.8
116.07094	0.3
116.98626	30.2
119.01945	0.4
120.02028	0.3
124.00703	0.5
126.02277	1.8
126.03114	0.3
128.98634	0.5
129.10246	0.7
132.08090	0.3
132.10223	0.4
132.96587	0.7
133.05089	1.1
134.99670	8.2
136.06151	0.4
136.07613	0.7
138.95567	0.4
139.96359	0.4
140.00204	0.4
140.03836	1.5
142.05391	0.5
143.51003	0.4
144.03346	1.1
150.06537	0.6
150.07759	12.7
150.08987	0.4
150.97708	0.4
151.50818	0.4
152.51501	2.8
153.00679	0.5
153.01736	0.4
154.51228	0.4
156.07663	0.6
156.96573	3.1
158.01324	0.5
158.04909	2.5
160.06462	2.1
160.51299	1.1
160.96085	0.5
161.52061	3.1
162.02159	0.5
165.50574	0.3
166.51297	0.4
169.51842	1.4
170.04851	0.8
170.06804	0.3
174.51019	0.5
174.97656	17.3
175.11908	0.8
175.51836	1.2
175.97795	0.4
176.05919	0.5
177.00960	0.7
178.07596	0.7
183.51634	0.7
186.01776	0.3
188.04483	0.4
188.05960	1.5
192.52219	0.3
192.98723	12.5
193.98897	0.8
198.97578	7.3
198.99368	0.4
199.04497	1.0
199.97876	0.3
200.05244	0.6
200.99205	1.4
203.54996	0.4
206.06963	1.2
206.93462	0.5
208.04936	2.9
208.55164	0.3
209.05830	1.2
210.99809	0.3
216.00334	0.3
216.98708	72.7
217.05504	4.9
217.55701	1.0
217.98842	4.2
219.00235	2.2
219.02142	0.7
220.02129	0.6
222.04587	0.3
223.05496	0.6
224.08092	0.8
226.05962	2.0
226.56056	0.7
231.05193	1.0
232.96477	0.5
234.99760	100.0
235.99942	5.6
237.00148	0.8
240.00262	0.9
240.05933	0.3
246.58226	0.6
253.00809	2.5
254.57985	0.4
255.58760	2.2
255.63544	0.7
256.08704	0.6
256.59460	0.4
258.01437	1.5
258.05093	0.7
258.99820	0.7
262.98044	0.5
263.58194	0.5
264.08682	0.4
264.59137	2.7
265.09317	0.4
265.60742	0.5
270.05099	0.4
270.09961	0.3
271.99442	0.7
273.59702	4.6
274.09738	1.0
277.00739	1.0
279.12311	0.4
282.04904	0.6
285.04941	0.5
285.60474	0.4
288.06146	1.5
290.00476	0.3
300.05960	3.1
303.06079	0.4
306.07004	0.8
312.05948	7.8
312.09332	0.7
312.12927	7.6
312.17517	1.3
312.63037	1.0
313.06317	0.4
320.64880	0.8
321.06732	1.2
321.13275	8.7
321.56668	0.6
321.63486	2.5
322.13263	0.3
330.07108	64.4
330.13159	8.7
330.63953	2.4
331.07336	4.9
331.13800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1304
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
51.89454	0.2
55.01864	0.3
56.05037	1.1
57.03448	0.2
60.04502	0.2
60.55322	0.2
61.01140	0.3
62.96994	0.2
65.41857	0.2
67.05499	0.2
68.05021	0.3
69.03447	0.3
70.06590	15.4
71.06104	0.5
71.06907	0.5
71.28758	0.4
72.08152	2.6
72.08515	0.3
72.08662	0.2
73.02915	0.3
74.06067	0.8
83.06097	2.1
84.04490	0.7
84.08160	1.4
85.02883	0.3
86.09696	1.7
91.05477	1.7
93.04478	0.4
93.07022	0.3
95.06112	0.2
95.08554	0.2
97.02895	0.4
109.02869	0.4
110.03529	5.4
110.07149	3.4
112.08747	0.3
116.07085	2.1
119.04936	0.5
120.08093	1.4
122.05870	0.2
128.04539	0.5
129.10249	0.7
130.09685	0.3
135.03038	1.4
136.07576	2.8
137.08214	2.4
143.04855	0.6
145.04932	0.3
147.04358	0.5
151.03876	0.4
151.07541	0.3
153.04099	1.9
154.08502	0.3
154.09732	1.2
155.04280	0.6
156.07698	0.6
160.05203	0.5
161.06003	1.3
162.07755	0.8
163.03923	0.4
165.06433	0.5
169.13376	3.1
171.04492	0.3
175.03966	0.3
175.08690	0.4
175.11868	0.8
177.07050	0.3
180.08792	100.0
181.04935	0.3
181.06493	0.2
181.09145	2.3
182.09343	0.3
189.05486	1.5
193.09479	0.2
195.08260	0.2
197.12849	2.5
199.06931	2.0
199.10756	0.2
203.11935	0.3
205.06551	1.3
209.13927	0.3
213.12334	2.9
214.57199	0.2
215.13757	0.4
221.05986	0.9
223.07550	2.8
226.31567	0.3
231.06514	0.3
233.06003	0.9
235.05966	2.2
249.05446	0.8
249.12347	1.2
251.07050	2.3
259.06033	0.3
267.06741	0.4
268.12741	0.7
269.08063	1.0
277.04880	0.6
295.05930	1.5
312.15341	7.3
312.18259	0.7
313.12445	0.3
313.18750	0.5
330.13187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07824	0.4
53.03938	0.9
55.01852	0.9
55.05513	2.6
56.05030	1.2
58.06600	59.2
59.06945	0.5
62.06093	1.1
65.03927	1.2
66.56805	0.4
67.05495	2.3
69.03423	1.0
69.07069	32.0
70.02944	2.9
70.06602	2.3
71.30653	0.6
72.04517	2.8
72.08157	3.5
73.05304	0.7
79.05492	4.1
80.05004	1.1
81.03404	1.1
81.07045	2.6
83.04955	0.7
84.08130	0.7
85.02863	0.7
86.09705	2.5
87.04469	1.0
88.03963	0.6
88.07632	1.0
91.05475	9.1
93.03374	0.5
93.07037	3.7
94.06530	0.7
95.04952	2.2
95.08598	1.0
96.04472	1.0
97.02917	0.8
97.06517	1.3
98.06044	0.5
103.05456	1.4
105.03361	0.6
105.07039	10.5
106.02903	1.0
106.06541	0.7
107.01299	1.0
107.04938	1.7
107.08598	1.8
108.04469	1.0
109.02888	1.2
109.10085	0.5
110.07145	1.2
110.09670	1.4
115.03920	0.9
115.05473	1.1
117.07018	1.5
118.08640	0.8
119.04934	1.7
119.08588	1.6
120.08098	9.9
122.05999	1.1
123.04395	0.7
123.08035	0.7
124.03947	2.0
124.07601	0.7
128.06215	1.3
128.10756	3.3
129.07024	1.1
131.08572	4.7
133.04921	1.1
133.06476	2.9
133.09207	0.7
133.10126	7.8
134.05957	0.6
135.04414	0.7
135.08046	0.8
136.07567	0.7
137.05960	1.0
140.03423	44.3
141.03764	1.0
141.06970	1.0
141.08899	0.5
142.12259	0.6
143.08533	1.6
143.69145	0.5
145.06488	1.0
146.50188	0.5
147.04399	1.3
149.09581	0.7
150.05476	1.8
151.03879	0.6
152.03445	4.8
152.07065	10.5
154.05032	1.2
154.08641	1.3
159.08087	3.0
161.09622	3.9
162.05531	0.6
166.04991	11.6
169.07616	0.5
170.08109	1.4
173.05991	0.8
178.05003	4.3
180.06552	28.4
181.04967	1.5
181.06816	1.0
184.06027	1.0
187.07529	3.2
189.09010	0.6
192.06578	0.8
195.08243	0.5
196.06049	35.9
197.06445	1.6
198.07607	6.4
202.12318	0.7
204.10269	0.6
205.08762	0.9
206.04459	0.5
208.06116	0.5
213.05438	0.7
220.13361	2.2
224.05563	8.5
225.06007	0.5
230.11792	2.0
233.08199	0.5
248.12930	3.0
250.14388	1.9
250.30698	0.5
253.09834	0.5
266.13834	0.9
276.12399	1.7
285.03998	0.6
294.13339	100.0
295.13599	5.5
312.14420	15.0
312.21674	12.9
312.25330	4.9
313.14890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1442
Annotation	Isodomoic acid D
Peak:m/z	Relative Intensity
50.28154	0.5
51.56292	0.5
52.66940	0.5
53.03944	1.4
55.01869	0.7
55.05502	2.0
56.05023	1.2
58.06594	6.5
67.05507	0.8
68.30707	0.6
69.03415	1.7
69.07060	1.5
70.02950	1.1
70.06577	0.8
71.29857	0.8
71.95615	0.7
72.04510	3.0
72.08148	4.0
74.06081	1.3
78.03455	0.7
79.05512	3.0
79.05894	0.6
80.05006	1.8
81.03394	1.4
81.07065	3.5
82.06577	1.1
84.04521	0.7
86.09715	1.1
91.05478	5.8
93.07038	3.5
93.85290	0.5
94.06557	0.9
95.08605	1.4
96.04469	0.9
96.08195	0.7
97.02882	2.6
97.18237	0.6
97.62549	0.5
98.09705	0.7
100.07633	1.6
103.05486	0.9
103.79482	0.6
105.07027	6.1
106.02932	1.0
107.01300	2.2
107.08578	1.4
108.04480	4.7
109.02866	1.6
109.05221	0.8
110.06044	4.8
110.09686	1.1
114.09161	1.3
117.07062	0.8
119.08594	1.8
120.08112	9.6
122.06020	2.7
124.03872	0.7
124.11218	0.8
125.02342	1.7
126.05542	0.7
128.06204	0.6
128.10704	4.6
131.08568	4.6
133.10135	5.7
135.06795	0.9
136.03880	0.6
136.07587	5.9
137.06004	0.7
142.07635	0.6
142.12262	6.9
143.08496	0.8
150.05469	3.8
150.09135	0.7
152.03435	10.2
152.07056	11.6
154.08635	2.2
156.08415	0.8
158.09633	0.6
159.08034	4.2
161.09613	2.9
162.05496	1.2
168.06584	0.7
169.04996	1.9
177.09059	0.7
178.05006	7.1
179.05766	1.7
180.06546	7.1
181.04875	0.6
187.07520	1.6
196.06053	72.4
197.06363	1.9
198.07640	4.2
202.12267	1.6
206.04515	3.2
206.08188	0.7
208.06113	1.0
220.13361	2.1
224.05531	18.6
225.05902	0.7
226.07039	1.0
230.11768	1.7
248.12793	2.3
250.14259	0.6
252.53030	0.7
258.11066	0.7
276.12244	2.7
280.10602	0.7
294.13345	100.0
294.24280	1.7
295.13699	5.0
306.76312	0.6
312.14462	10.5
312.21729	1.4
312.25253	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	312.1552
Annotation	Leonurine
Peak:m/z	Relative Intensity
53.03941	0.3
55.01878	0.3
55.02995	4.7
55.05509	3.3
56.05030	0.6
58.06593	0.5
60.05639	1.5
65.03933	3.3
67.05510	1.3
68.05021	0.5
69.03436	1.1
69.07069	0.5
69.46197	1.1
70.06586	1.4
72.05640	2.0
72.08154	41.9
73.06550	1.6
73.08475	0.6
79.05481	0.5
81.07045	0.7
82.00565	0.3
82.04202	1.2
82.06576	0.8
84.08142	0.6
85.02905	2.2
89.06039	0.3
90.09206	1.4
93.03399	1.0
93.07053	0.5
95.04965	0.7
95.07333	0.5
95.08598	0.5
97.06541	2.7
97.07651	25.2
98.07983	0.4
100.11259	0.7
108.02087	0.6
108.08111	0.5
110.03667	1.7
110.07194	0.2
110.09678	8.5
111.04428	0.9
114.10287	33.7
115.08701	1.0
115.10629	0.6
121.02890	0.3
122.09665	0.4
123.04382	0.4
125.05959	1.3
127.00282	0.3
128.10713	33.2
129.11079	0.8
132.11325	10.0
138.03127	1.1
140.04646	1.0
140.10689	0.4
142.02606	2.0
146.40785	0.2
153.05453	1.3
155.07027	0.7
165.01819	0.4
168.13927	0.3
170.02110	0.3
171.06523	2.7
180.06540	0.6
181.04948	100.0
182.05293	3.5
237.22160	0.3
248.10306	0.7
253.10614	0.3
294.20633	0.5
295.12900	1.3
297.13062	0.3
312.15524	67.9
312.21588	14.5
312.25409	3.8
313.15869	3.8
313.21933	0.5
313.25449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
57.03444	4.6
61.02934	8.0
65.26347	2.9
69.03432	13.3
69.07063	9.8
70.06605	8.7
70.20763	7.9
72.08160	9.3
81.03427	6.3
85.02908	100.0
87.04485	4.2
87.08088	16.5
87.98400	2.7
91.03922	5.3
93.42689	3.1
97.02889	29.7
98.97642	2.7
107.04987	2.8
109.02861	7.1
110.07160	4.6
111.04538	3.8
114.10283	4.0
122.13216	3.3
125.31293	3.1
127.03918	21.3
133.08626	2.9
145.04987	39.2
163.06042	11.1
181.04984	13.8
226.07402	3.0
261.43985	3.0
294.20609	4.2
312.15518	10.2
312.21609	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	312.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40401	0.3
60.05637	1.0
68.12917	0.3
70.06593	2.9
70.73648	0.6
92.05000	1.0
94.06586	2.4
110.06050	1.0
116.07103	1.0
138.05505	100.0
139.05858	2.4
158.09273	0.3
175.11920	4.2
288.04160	0.4
297.88675	0.3
300.51764	0.3
302.70789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2167
Annotation	YM 47515
Peak:m/z	Relative Intensity
56.05036	1.3
58.06602	100.0
59.06936	1.0
69.11518	0.9
70.06605	0.2
73.05304	0.9
87.49881	0.1
88.07633	2.0
104.00531	0.1
118.08653	2.0
127.90491	0.1
137.05960	0.2
154.25247	0.1
176.65137	0.1
192.08919	0.1
252.10959	0.2
303.68036	0.1
312.21689	15.4
313.22021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01842	0.3
55.02960	0.5
55.03210	0.2
55.05511	1.1
55.83561	0.2
56.05031	1.0
56.05243	0.3
57.81262	0.2
58.06564	0.7
58.06806	0.1
60.05634	0.2
61.29249	0.2
65.03904	0.6
67.05467	0.7
68.04995	0.5
69.03404	0.4
69.05806	0.2
69.07079	0.8
69.62027	0.3
69.62418	0.7
70.06593	2.3
71.04966	0.4
72.05607	0.3
72.08154	7.8
73.06532	0.3
77.05640	0.2
79.05491	1.0
79.18734	0.2
80.04990	0.3
81.03380	0.3
81.05772	0.3
81.07059	1.7
82.04185	0.2
82.06573	2.3
82.07320	0.2
83.04977	0.3
84.08150	1.3
84.95126	0.2
85.02884	0.4
86.09692	1.1
90.09177	0.3
91.05481	0.3
93.07032	1.4
94.06536	0.7
95.04944	0.4
95.07347	0.9
95.08600	0.9
96.08102	0.2
97.02958	0.2
97.06535	3.4
97.07642	3.4
105.07006	0.5
107.04916	0.2
107.08588	0.2
108.08115	2.0
109.10198	0.2
110.03616	0.2
110.07163	0.4
110.09675	18.5
111.09997	0.5
114.10285	5.4
120.08102	0.3
122.09643	2.2
123.08064	0.6
124.07566	0.3
125.05968	0.2
128.10712	100.0
129.10280	0.2
129.11066	2.5
132.11330	1.7
135.10471	0.2
136.07513	0.3
137.05980	0.2
140.10715	2.2
142.02672	0.3
146.09618	0.4
152.10701	0.2
153.05458	0.2
171.06570	0.5
177.60339	0.2
181.04945	14.1
182.05363	0.6
185.16544	0.3
213.16182	0.3
269.72876	0.2
276.23444	0.6
284.06796	0.2
294.21027	0.4
294.24500	1.3
295.13052	0.3
312.15778	11.2
312.21909	32.7
312.25555	21.5
313.07077	0.8
313.10718	0.2
313.15991	0.7
313.22211	2.2
313.25925	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	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01854	0.8
55.05507	1.6
56.05003	0.3
58.06604	0.5
67.05511	1.1
68.05001	0.4
69.00249	0.9
69.00684	0.9
69.03439	0.2
69.07062	1.6
70.06599	1.7
71.04970	0.2
72.08157	1.4
79.05489	1.2
80.05003	0.6
81.05775	0.4
81.07056	1.4
82.06581	1.4
83.04979	0.8
83.08608	0.4
84.08144	0.4
86.09698	1.4
91.05470	0.7
93.07037	1.9
94.06573	1.9
95.04959	0.3
95.07330	0.5
95.08609	1.3
96.08118	0.6
97.06514	0.7
98.23448	0.4
100.11237	0.7
105.07044	1.7
106.06580	0.4
107.07285	0.5
107.08586	0.4
108.08098	1.0
109.06517	0.2
110.07162	0.6
110.09674	6.5
114.09155	0.5
114.10271	0.3
119.08572	0.3
120.08097	1.0
121.02862	0.2
121.08907	0.2
122.09666	10.7
123.11672	0.2
128.10716	9.0
129.07091	0.2
131.08539	0.4
132.08084	0.5
133.08862	0.2
134.09648	0.9
135.10402	0.6
135.41353	0.2
136.07620	0.2
136.11192	0.9
140.10698	10.5
141.11038	0.3
146.09654	1.0
148.11177	0.6
152.10674	1.4
153.11475	0.3
154.12242	0.3
163.03648	0.2
164.10651	0.4
165.11490	0.4
168.13914	0.2
171.14970	0.3
181.04942	0.6
185.16441	0.4
196.13309	0.3
209.16486	0.2
213.15990	0.4
222.18442	0.3
232.66144	0.2
236.17929	0.3
236.20074	1.3
256.07288	0.2
267.06592	0.3
274.21686	0.3
276.23212	2.1
283.05948	0.5
284.06583	0.4
294.17316	0.2
294.20868	0.4
294.24252	7.6
295.05963	0.3
295.24554	0.5
312.21924	5.4
312.25287	100.0
313.07065	2.2
313.10785	0.2
313.12045	0.2
313.22278	0.3
313.25623	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	312.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
55.78379	0.2
56.05031	1.3
56.66407	0.2
57.07063	0.4
58.06601	2.7
65.57648	0.2
67.05505	0.3
68.05048	0.3
69.07067	0.5
69.40596	1.1
70.06599	1.3
71.08614	0.3
72.08134	0.2
79.05476	0.7
81.07050	1.1
82.06583	2.0
84.08143	1.1
85.10221	0.2
93.07048	1.0
94.06573	0.3
95.04960	0.5
95.07335	1.3
95.08589	0.6
97.06531	3.8
104.03580	0.2
108.08125	1.5
110.09682	18.6
111.10040	0.5
122.89532	0.2
128.10716	100.0
129.11061	2.4
132.31181	0.2
142.62543	0.2
144.06299	0.2
185.25708	0.2
224.92786	0.2
294.24957	0.2
294.27863	1.3
312.28958	34.4
313.29294	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	312.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01857	2.4
55.05516	23.7
56.05038	11.9
57.03440	8.5
57.07075	3.4
58.06318	2.2
58.06601	38.2
60.33708	0.7
60.68525	0.9
65.03928	2.1
67.05506	37.2
69.03407	1.2
69.07069	16.5
69.43802	5.4
70.06590	3.2
71.04977	2.0
71.08626	2.5
72.08160	4.4
75.27507	0.8
79.05495	18.9
81.03423	22.3
81.07056	60.8
82.06594	2.0
82.07375	1.2
83.04997	2.0
83.08622	15.9
84.08163	5.6
85.06532	3.8
91.05059	0.8
91.05489	8.5
93.07047	20.2
95.04967	49.0
95.08602	29.7
96.04243	1.9
97.06519	4.7
97.07607	1.1
97.10174	5.2
99.08077	1.9
105.07024	11.6
107.04951	1.8
107.08600	16.1
109.06519	11.6
109.10157	5.9
110.09679	6.1
111.08044	1.8
114.10303	1.1
117.06997	2.7
119.08591	6.0
121.06501	9.8
121.10129	8.3
123.04406	1.7
123.08067	47.4
123.11685	2.0
125.09615	1.0
126.12739	1.2
128.10721	3.5
129.06989	1.5
131.08557	3.6
133.06505	3.1
133.10138	7.3
135.08008	4.9
135.11662	3.1
137.06032	1.4
137.09618	1.7
140.14352	1.7
141.06978	1.7
142.07753	1.6
143.05508	3.1
143.08545	3.7
144.06319	26.5
145.06500	5.3
145.10121	3.7
147.07996	4.4
147.11681	4.4
149.09616	3.8
149.13242	11.0
151.07512	2.4
151.11223	1.4
154.07803	1.1
155.08571	2.3
156.09315	1.0
157.10135	3.7
158.10951	1.0
159.08066	2.7
159.11696	4.2
161.09647	9.4
163.11179	3.8
163.14864	1.0
167.14258	1.4
168.09377	1.1
169.06441	1.5
169.10138	3.3
171.08104	2.3
171.11664	2.8
172.96744	0.9
173.09624	2.8
173.13263	4.0
175.11183	4.1
176.12071	1.8
177.12801	2.1
181.05055	1.9
181.10065	1.2
183.08055	3.7
183.11726	1.9
184.08792	1.4
185.09624	6.7
185.13252	1.2
187.11159	3.1
188.87733	1.0
189.09171	1.7
189.12775	1.9
191.14299	5.1
193.10155	1.1
197.09569	4.5
197.13275	1.9
198.10416	1.1
199.11188	2.2
201.12729	1.6
203.10660	1.1
205.12209	5.4
209.09627	2.2
209.13428	1.1
211.11154	5.3
211.14816	1.6
213.12759	3.1
215.10626	2.3
215.14261	1.0
217.12204	1.0
219.13777	8.6
220.20442	1.7
223.11174	1.8
225.12799	2.0
227.10680	1.7
229.12317	2.6
230.87109	1.0
231.13757	1.9
237.12819	2.0
239.14326	5.5
245.22662	2.4
251.14261	1.6
253.12094	1.1
253.15892	4.1
255.13867	3.4
257.15427	3.8
262.06161	0.9
263.23642	7.6
267.17468	3.0
267.21716	5.9
268.22446	3.9
269.15283	1.2
270.16156	1.5
271.13556	0.9
271.16928	3.1
276.26910	7.2
277.15912	1.7
285.18527	3.8
285.21564	2.1
294.27911	100.0
295.16885	10.0
295.28232	7.6
298.15540	2.1
312.11951	1.0
312.25519	4.0
312.28955	91.8
313.17969	50.1
313.20920	1.0
313.29306	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1547
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03945	0.1
55.30881	0.1
69.30351	0.1
69.81605	0.3
70.06591	0.2
71.27059	0.1
72.08160	0.1
79.05489	0.2
80.05026	0.1
84.08147	0.1
86.09717	0.1
91.05464	0.8
93.07050	2.4
95.04959	0.3
95.08604	0.1
97.37400	0.1
103.05465	6.6
104.05788	0.2
105.07017	0.1
110.09692	1.0
113.23665	0.1
118.06527	0.2
119.07339	0.1
120.08104	100.0
121.08442	3.0
128.10716	2.4
131.04921	0.2
146.06027	0.2
146.42448	0.1
149.05977	0.1
166.08638	3.9
192.07086	0.1
220.04555	0.1
267.14984	0.5
313.07181	0.2
313.11890	0.1
313.15445	1.3
313.25555	0.1
314.23300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.24026	12.3
54.88793	12.9
55.05515	25.6
57.07088	15.6
67.05522	20.1
67.26477	12.6
69.07095	17.8
69.30525	36.3
69.30936	44.8
72.08181	17.7
73.56535	12.4
79.05482	18.1
81.07068	26.5
83.08647	14.7
93.07093	22.0
98.22679	29.0
105.07054	15.2
253.08640	27.2
298.10724	17.8
313.06989	16.0
313.25330	100.0
314.13995	24.3
337.40552	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.41751	2.5
55.01863	5.6
55.05271	3.0
55.05510	16.1
57.03435	4.3
57.07071	33.7
58.06598	46.2
58.07359	2.7
67.05497	29.5
69.07066	16.6
69.99606	8.0
70.06576	2.7
71.08636	17.8
71.08989	3.4
72.04527	6.9
72.08150	8.8
79.05486	14.6
81.07056	33.1
83.04996	3.5
83.08623	11.7
84.08125	3.4
85.10207	13.1
91.05479	10.1
93.07032	20.4
95.04971	15.0
95.08604	39.5
95.58705	2.6
96.08934	3.2
97.06546	5.0
97.10151	3.1
98.22639	3.0
105.07050	9.1
107.08593	11.4
108.87936	3.1
109.06551	2.8
109.10152	11.6
110.09688	10.8
111.04411	4.8
113.09630	5.2
115.09478	3.0
119.08588	4.9
121.10155	5.0
123.11713	3.2
128.10692	4.0
131.08542	5.4
133.10124	5.6
135.11708	7.6
145.10201	6.0
147.11673	5.6
149.13228	4.1
151.11578	2.6
161.13264	4.1
169.15904	4.8
209.11682	4.5
210.12103	4.3
211.12349	11.9
239.11703	9.5
239.14186	3.3
251.23732	5.7
277.21661	9.0
295.28418	5.4
295.31772	6.4
296.26120	5.2
296.29468	62.1
298.11011	2.8
313.07016	3.1
313.18219	3.5
313.29236	21.4
313.32889	14.7
314.30530	100.0
316.40161	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	313.2374
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
55.05508	72.4
57.07059	63.6
67.05488	100.0
69.07065	38.5
70.80138	32.9
70.80461	27.5
71.04994	26.0
71.08637	89.5
79.05473	36.8
81.07059	66.7
83.08624	35.0
91.05471	44.0
93.07033	47.2
95.08612	82.0
99.08084	50.0
100.59922	26.6
103.23871	27.1
105.07021	29.6
111.08088	66.7
119.08603	33.1
121.10089	36.5
133.10194	30.7
143.09340	29.3
163.11182	35.3
277.21637	82.6
295.22726	58.2
313.11096	34.2
313.27444	63.0
313.32773	27.7
314.13684	39.2
323.65878	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
55.06664	0.8
55.17185	0.9
56.52672	1.0
57.03162	1.0
57.03436	21.1
57.07078	50.3
58.07391	1.2
67.05502	11.1
67.08990	0.9
69.06770	0.9
69.07066	8.3
69.76920	0.8
71.08631	38.2
77.05045	0.9
79.05471	1.4
81.07058	15.0
82.15498	0.8
82.89265	0.8
83.08615	12.1
85.09669	1.2
85.10181	21.2
89.06015	3.0
93.07038	1.4
95.08606	21.2
97.06537	1.1
97.09628	0.9
97.10176	5.7
99.11730	1.4
103.07580	2.3
109.10158	9.6
111.11701	2.0
123.11684	4.2
125.13250	1.2
137.13222	1.5
153.91725	0.9
159.27908	0.8
169.72253	0.8
174.89220	0.9
228.76912	1.1
239.23662	4.8
257.24765	7.1
269.41351	1.1
313.27356	100.0
314.13870	1.9
314.27652	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.3
57.03442	25.3
57.07080	74.4
67.05509	15.0
69.07069	12.2
71.04973	1.2
71.06535	1.4
71.08636	46.4
72.08983	0.7
75.04462	0.6
76.24129	0.5
79.05482	1.7
81.07060	19.5
82.48764	0.6
83.04979	1.0
83.08618	15.7
83.69962	0.6
85.06506	0.6
85.10188	21.7
87.04498	0.9
89.06043	3.5
90.65539	0.6
93.07043	1.9
95.08611	27.4
96.08904	0.7
97.00544	0.6
97.06517	0.9
97.10172	6.6
99.11731	2.0
101.06008	0.6
103.07587	2.9
106.42698	0.7
107.08648	0.8
109.10162	11.4
111.11724	1.3
117.09100	0.8
121.10162	0.7
123.11699	5.8
125.13275	1.0
137.13264	1.9
139.14830	0.6
145.12192	1.0
150.50021	0.6
151.14746	1.3
173.71359	0.6
207.48656	0.7
221.22722	0.9
239.23706	4.6
257.24756	7.1
295.22708	0.8
313.27368	100.0
314.13943	1.1
314.27829	5.3
314.34140	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27776	0.9
55.05269	1.5
55.05513	15.3
57.03168	2.0
57.03439	30.3
57.07077	80.7
58.07399	1.1
58.34010	0.8
59.04987	0.9
67.05181	1.2
67.05506	14.3
69.07072	15.3
70.55408	1.3
70.55743	1.5
71.08633	47.4
75.04454	0.8
79.05485	1.4
81.06592	1.4
81.07056	21.8
83.08615	15.8
85.06530	0.9
85.10187	26.5
89.06027	4.5
93.07040	1.2
95.08604	28.1
96.08984	1.2
97.10168	8.7
99.11729	1.4
103.07554	4.0
107.08627	1.2
109.10145	13.9
111.11687	2.2
121.10107	1.7
123.11690	6.0
124.68205	0.8
125.13232	1.0
137.13292	3.3
141.28993	1.1
188.76132	1.0
217.29665	0.9
225.95186	0.9
239.23724	4.0
257.24802	6.4
313.27353	100.0
314.27731	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05512	8.5
55.97867	0.6
57.03161	0.8
57.03440	20.3
57.07077	57.2
58.07410	1.2
67.05508	12.7
69.01295	1.8
69.01714	4.5
69.06725	1.1
69.07069	12.2
71.04987	1.0
71.08634	39.6
79.05495	0.8
79.19122	0.7
79.64638	0.6
81.07057	14.9
83.08614	11.7
85.06522	1.1
85.10183	20.5
89.06025	2.9
91.45536	0.6
93.07027	1.6
95.08606	20.8
97.10184	6.6
99.11733	1.8
103.07576	2.3
109.10169	10.0
111.11742	1.2
113.13300	0.9
117.09155	0.8
123.11731	5.1
131.10632	0.7
137.13234	2.0
151.14880	1.0
169.31566	0.7
239.23605	5.0
257.24753	6.4
296.49625	0.6
313.27350	100.0
314.27695	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41840	0.2
53.00315	0.3
55.05518	4.5
57.03158	0.4
57.03443	8.2
57.07080	39.2
58.07409	0.4
59.04996	0.3
67.05510	7.5
69.03430	0.2
69.07074	6.1
69.12447	1.2
71.04999	0.5
71.08636	25.2
72.08975	0.2
75.04435	0.2
79.05511	0.6
81.07063	9.6
83.05004	0.4
83.08625	6.5
83.09122	0.3
85.06561	0.4
85.10188	13.5
86.10539	0.2
89.06044	1.2
93.07061	0.6
95.05006	0.2
95.08614	13.5
96.08937	0.3
97.06561	0.3
97.10175	3.6
98.23326	0.4
99.08099	0.3
99.11744	0.7
101.06023	0.2
103.07574	0.9
107.08648	0.2
109.10165	6.0
110.10493	0.2
111.11737	0.9
113.13330	0.2
117.09137	0.3
121.10221	0.3
123.11712	2.5
125.13290	0.4
135.11726	0.4
137.13245	0.8
139.14870	0.2
151.14891	0.3
152.44647	0.2
165.16432	0.3
221.22722	0.3
237.21857	0.2
239.23706	2.1
257.24722	1.5
258.28058	0.3
270.08960	0.3
313.11069	0.8
313.27371	100.0
314.13956	0.3
314.24500	0.2
314.27728	5.9
314.33899	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
56.14009	0.7
56.68295	0.9
57.03161	1.1
57.03439	24.6
57.07078	73.4
58.07391	1.5
66.63358	0.7
67.05510	13.6
69.07068	13.2
71.08634	47.1
72.08976	0.8
75.04474	0.7
78.61047	0.9
79.05487	1.1
81.07062	17.9
83.04968	1.0
83.08623	14.0
85.06557	1.3
85.10184	23.0
89.06041	3.3
93.07024	1.0
95.08609	28.6
97.10173	7.1
99.11752	1.6
103.07559	3.8
107.08591	0.9
108.95952	0.7
109.00204	0.8
109.10159	12.3
111.11730	2.3
117.09111	1.0
123.11755	4.8
137.13260	3.0
139.14856	0.7
149.13148	0.7
165.16344	0.8
180.64008	0.7
211.22121	0.8
221.22610	1.6
239.23685	6.1
257.24728	7.3
263.64630	0.7
275.25641	1.0
301.91034	0.7
313.10782	1.0
313.27356	100.0
314.27655	6.5
326.83936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06545	0.4
55.05511	5.1
57.03436	9.9
57.07074	44.5
58.07405	0.9
59.04996	0.4
67.05180	0.6
67.05508	7.8
69.06725	0.7
69.07065	7.8
69.66140	0.7
69.66532	1.2
71.04962	0.5
71.08630	29.7
72.08948	0.6
75.04456	0.4
79.05495	0.9
81.07056	10.7
83.08619	8.4
84.83340	0.4
85.10178	16.4
89.06017	1.7
91.05487	0.5
93.07051	0.7
95.08606	15.6
96.08981	0.5
97.10171	4.4
99.11732	1.0
103.07568	1.1
109.10154	7.6
111.08128	0.6
111.11739	0.7
117.09131	0.5
121.10123	0.5
123.11718	2.3
125.13217	0.5
137.13284	1.3
173.71417	0.5
239.23698	2.1
257.24719	2.3
313.27341	100.0
314.27698	6.7
314.33817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96614	0.5
53.00304	0.7
55.05278	0.9
55.05518	13.9
56.05817	0.8
57.03161	1.2
57.03444	29.6
57.07082	78.3
58.06616	1.1
58.07408	1.9
62.06087	1.7
67.05511	17.8
69.07076	17.1
70.07393	0.8
71.04996	1.3
71.08639	55.9
72.08153	2.4
73.06532	0.8
79.05490	1.5
81.07062	22.7
83.05009	0.9
83.08627	16.9
84.08955	1.1
85.06560	1.5
85.10193	29.5
86.10556	0.6
87.04399	0.7
89.06044	6.0
89.82001	0.6
90.09196	1.1
91.05477	0.6
93.07034	1.7
95.08616	30.6
96.08951	0.7
97.06542	1.1
97.10175	8.2
99.11735	2.3
103.07600	2.5
109.10168	16.3
111.11743	2.1
113.13317	0.7
117.09160	1.1
119.11452	0.6
123.11716	6.0
125.09652	0.7
125.13284	1.2
135.11710	0.7
137.13237	3.4
149.13246	0.8
211.12315	0.6
221.22693	1.4
239.23717	6.0
257.24789	8.9
293.81381	0.6
295.31891	1.1
298.11038	0.8
298.37924	0.6
313.10754	1.3
313.27383	100.0
313.32779	17.9
313.63852	0.7
314.13885	0.9
314.27939	6.4
314.34186	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	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00335	0.9
55.05515	10.9
55.80434	1.0
57.03444	26.2
57.07083	80.8
58.07404	1.1
65.03931	0.9
67.05182	1.1
67.05515	15.8
67.60928	0.8
69.07076	12.7
71.08640	50.7
79.05460	1.2
81.07066	20.5
83.08628	16.2
85.06528	1.3
85.10191	30.3
89.06041	5.3
93.07071	1.8
95.08617	30.3
97.10176	7.3
99.11730	1.3
101.06055	1.4
103.07592	3.6
107.08586	1.2
109.10155	12.7
111.11710	2.5
123.11741	5.1
137.13268	2.9
158.00957	0.9
165.16454	1.1
173.76613	0.8
239.23682	5.2
257.24780	8.3
313.27371	100.0
314.27786	6.7
314.34201	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	314.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99939	0.3
56.96563	1.9
63.40669	0.3
65.24384	0.3
66.16141	0.3
66.69843	0.3
68.66324	0.3
70.06599	2.4
71.27995	0.5
76.85028	0.3
82.99298	0.3
84.08122	0.6
86.09706	1.4
86.89164	0.3
87.55576	0.3
97.07610	0.3
98.97581	5.5
100.37195	0.3
101.00859	0.6
108.90436	0.3
110.07178	0.8
116.98605	2.6
119.01891	1.0
119.13277	0.3
128.40556	0.3
134.99706	0.9
140.98833	1.3
156.96434	0.3
158.14726	0.3
158.96333	0.4
158.99872	4.5
159.99944	0.4
172.94371	0.4
173.07796	0.5
174.97676	0.6
175.97752	0.4
176.97455	1.0
177.00954	29.6
178.01015	2.6
182.99864	2.5
183.01262	0.3
185.01474	1.2
192.98703	0.6
193.98674	0.3
194.98476	0.7
200.97357	0.3
201.00934	8.9
201.02769	0.6
202.01097	0.9
203.02518	24.6
204.02589	2.1
215.09938	0.4
216.91341	0.3
216.98734	0.3
217.98846	0.3
218.03615	0.9
218.98502	4.5
219.02003	100.0
220.02118	9.3
221.02380	0.6
234.99617	0.4
235.99881	1.0
236.99515	5.6
237.03026	0.3
242.03610	0.9
242.07237	0.6
244.00424	0.3
247.01524	2.1
259.99902	0.4
268.08810	2.6
275.03348	0.4
277.00555	0.3
284.08310	9.3
285.08563	0.5
287.08218	1.5
296.08298	2.8
314.09344	34.2
315.09537	4.9
332.07004	4.1
332.10397	65.1
333.10529	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	314.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	11.5
55.05507	39.6
58.06611	14.8
58.27549	9.9
67.05500	60.6
68.76868	10.8
69.07061	32.1
70.06586	25.1
70.34203	28.0
70.34554	17.4
72.08169	67.2
79.05501	47.6
80.26944	10.1
81.07051	100.0
83.08627	30.4
84.08138	16.1
85.02917	40.5
86.09722	38.4
91.05484	48.9
93.07026	63.5
95.04974	14.9
95.08611	44.4
97.06544	14.6
98.97601	20.9
105.07044	20.5
107.08611	40.3
109.06516	13.9
109.10162	17.7
110.79082	10.9
117.07098	14.1
119.08532	16.8
121.10146	24.8
123.11687	11.3
128.05307	18.9
131.08615	16.3
133.10098	23.8
149.13297	34.1
154.15927	38.5
159.11708	24.6
167.95328	11.6
195.13762	35.8
206.92566	13.2
222.14917	12.9
240.11888	11.5
287.14114	23.3
296.18628	14.9
296.25943	29.8
298.10599	21.7
314.13498	44.9
314.27191	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2326
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
52.30915	0.2
55.05506	0.5
56.05035	1.1
58.06601	0.4
67.05508	0.3
68.05029	0.4
69.07065	0.6
70.06593	1.5
70.26075	0.5
71.04997	0.2
72.08147	0.7
79.05489	0.7
81.05824	0.3
81.07063	0.9
82.06573	1.9
83.08607	0.3
84.08141	0.8
86.09707	0.5
91.05461	0.4
93.07047	1.1
94.06602	0.2
94.07407	0.2
95.07355	1.0
97.06531	3.3
97.10160	0.3
103.05486	1.0
104.05780	0.6
108.08111	1.3
110.09682	15.9
111.10026	0.3
120.06831	0.3
120.07214	0.4
120.08109	13.3
121.08453	9.4
128.10718	100.0
129.10338	0.2
129.11079	2.2
140.27600	0.2
166.08640	0.4
167.09026	0.4
178.65100	0.2
296.22232	0.8
313.86945	0.2
314.23254	28.9
315.23517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2325
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
55.05514	0.9
56.05031	1.0
57.03430	1.4
58.06603	4.1
67.05503	2.6
69.07069	2.0
70.06587	2.0
71.05004	0.9
71.07383	0.4
71.20648	0.5
72.08150	1.5
79.05492	3.6
81.07056	3.4
82.06576	0.4
83.04980	0.7
84.08148	8.6
86.09747	0.4
88.07623	0.7
91.05470	2.7
93.07054	3.7
95.04958	0.3
95.08059	0.3
95.08598	1.9
96.08133	1.1
97.06544	1.1
97.08925	0.5
98.09698	0.9
98.97596	0.4
105.07038	2.2
107.08607	2.3
108.08118	0.4
109.06523	0.3
109.10116	0.6
110.09660	2.0
111.10532	0.3
112.11238	1.1
116.98648	0.4
117.07012	0.6
119.08565	1.6
121.10134	0.6
123.08088	0.5
124.11212	0.6
125.09614	0.5
128.10724	3.3
131.08566	1.1
133.10159	1.8
135.08058	0.4
136.06155	0.3
138.12798	0.6
143.08553	0.4
145.10150	0.8
147.11732	1.6
161.13240	0.4
208.20633	2.8
226.21582	0.6
234.22156	2.8
236.20100	6.7
252.23277	2.0
254.21106	2.7
278.21173	3.1
296.22202	18.9
297.22516	1.4
314.23236	100.0
315.23584	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	314.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30379	0.3
52.96133	0.3
53.03953	0.4
55.01873	0.7
55.05513	2.9
56.05038	1.1
56.15438	0.3
57.03432	1.4
58.06316	0.4
58.06601	6.3
58.24215	0.4
62.57164	0.4
67.05502	4.6
69.03709	2.6
69.07064	2.4
70.06593	2.5
71.04975	0.5
72.08156	1.9
79.05492	3.3
81.03397	0.4
81.07056	2.7
82.06571	0.8
83.04988	0.7
83.08623	5.2
84.08139	6.7
86.09702	0.5
88.07629	0.8
88.49278	0.3
91.05476	3.7
93.07043	6.1
94.06585	0.3
95.04974	2.1
95.08615	2.2
96.08145	1.2
97.02937	0.4
97.06545	1.5
98.09689	0.6
98.22646	0.8
105.07041	1.9
107.08582	2.6
108.08134	0.9
109.06510	0.5
109.10149	0.8
110.09689	3.2
111.08061	1.8
112.11243	2.5
115.05490	0.3
116.98679	0.5
117.07033	0.9
119.04942	0.7
119.08608	1.6
121.06516	1.1
121.10139	0.9
122.09694	0.6
124.11237	2.6
125.08610	0.3
125.09621	0.7
128.09772	0.6
128.10718	9.4
129.06999	0.5
129.92828	0.3
130.44019	0.3
131.08588	0.7
133.10109	1.0
135.08055	1.1
137.05968	4.8
142.12334	0.3
145.06482	0.3
145.10118	0.7
147.04437	1.9
147.11656	2.1
149.06007	0.8
153.09143	0.4
157.08614	0.5
161.13269	0.7
173.05977	0.4
175.09676	0.8
175.11214	0.9
191.08495	0.6
201.16449	0.7
207.13844	2.1
219.08109	0.4
219.17535	0.3
234.22186	0.5
236.20102	0.9
237.09222	0.3
247.17004	0.5
251.10641	0.5
252.23244	1.0
254.21210	0.5
278.21140	2.8
296.22211	18.0
297.22562	1.5
314.23239	100.0
315.23560	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	314.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.05496	3.1
55.14689	0.7
56.05041	4.0
57.03419	2.5
57.07068	1.9
58.06609	7.1
60.04513	1.3
61.77146	0.7
67.05505	5.8
69.07050	2.8
70.06584	4.2
71.07383	1.5
71.08611	1.2
71.30627	0.9
72.08142	4.8
73.63854	0.9
79.05494	5.1
81.07046	5.7
82.06564	2.2
83.72976	0.8
84.07689	1.2
84.08150	12.7
88.07642	1.4
91.05479	10.0
93.07024	2.8
94.06554	2.4
94.76293	0.7
95.04980	8.1
95.08578	3.4
96.08115	3.8
97.08903	1.0
98.97617	1.1
99.73163	0.9
103.05449	1.3
105.07023	5.3
107.08547	1.5
110.09687	5.0
111.01107	0.9
112.07606	6.1
115.05453	2.1
117.07037	5.3
119.08569	2.1
119.15371	0.9
122.09714	1.1
123.11678	0.9
124.11185	1.3
128.06230	6.3
128.10695	4.8
129.06984	3.8
130.08653	15.0
131.08556	3.1
140.60548	0.9
141.06964	3.2
141.12770	1.2
142.07799	1.9
143.08527	3.6
145.10078	0.9
151.06676	0.8
155.08525	1.2
168.09483	0.9
169.09985	1.0
169.36127	0.9
171.11700	1.1
206.18991	2.8
220.87094	0.8
261.60458	0.7
278.22049	1.2
278.24835	2.0
296.23334	20.1
296.26233	3.1
314.24692	100.0
315.25180	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	314.2688
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05501	29.6
56.05030	4.7
57.03445	26.8
57.07074	5.2
58.06591	3.5
60.04523	16.1
67.05505	56.3
69.07078	18.6
70.06570	5.7
70.44823	7.1
70.45225	6.7
71.04986	8.7
71.61073	4.2
72.08129	8.2
74.06072	8.2
77.62994	3.9
79.05511	20.1
79.73018	3.9
81.07058	45.1
83.04997	4.1
83.08638	21.4
85.06543	5.9
91.05466	10.4
93.07045	33.6
94.06540	6.2
95.04961	28.4
95.08600	55.3
96.08147	31.7
96.73080	3.8
97.06535	13.2
97.10178	6.9
105.07030	5.7
107.08583	15.1
109.10149	18.9
111.08086	6.3
119.08569	7.1
121.10144	14.4
123.11679	11.5
130.08629	10.1
147.11574	4.0
149.13286	25.9
151.07463	5.3
167.14301	7.5
226.61688	3.8
260.23648	10.5
261.22171	11.2
278.24759	45.1
296.25833	100.0
297.26193	9.6
314.27042	4.7
314.30258	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	314.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01851	2.2
55.05515	13.0
56.05032	17.5
57.03434	3.0
57.07073	10.8
58.02955	1.6
58.06588	4.4
60.04525	12.0
63.40243	1.5
65.03934	5.4
67.04240	6.2
67.05506	37.5
68.05025	6.2
69.03416	1.8
69.06752	1.9
69.07070	15.7
69.99230	3.6
69.99597	3.9
70.06590	6.2
71.08630	6.5
72.08157	5.2
79.05501	22.0
80.05030	14.1
81.03416	1.9
81.07056	31.2
82.06579	100.0
83.04980	3.3
83.08636	11.6
84.08138	8.2
85.10177	3.5
86.06080	3.3
91.05481	24.4
93.07053	16.8
94.06567	15.4
95.04970	14.8
95.08600	22.8
96.08130	9.2
96.08891	1.9
97.06530	5.2
97.10159	4.5
98.06071	2.5
98.09673	4.1
98.97571	3.9
105.07028	10.5
106.06562	2.8
107.08614	7.9
108.08117	10.2
109.10145	5.6
110.06044	5.4
110.09689	8.1
112.07614	9.9
114.09161	3.4
116.98623	2.0
117.07002	6.1
119.08564	9.8
120.08060	3.7
121.10136	6.7
122.09690	2.6
123.11714	4.0
126.09160	2.7
128.06210	3.6
129.06970	2.4
130.08630	4.9
131.08530	3.3
133.10078	4.9
134.09673	2.6
135.11725	3.8
138.09164	8.1
145.10097	4.5
155.08638	1.8
155.14284	2.3
156.10194	14.9
157.10150	2.1
207.23355	1.7
207.98120	2.0
219.21210	1.7
223.20496	4.6
231.20908	2.4
242.10109	1.6
248.23694	13.0
260.23654	4.3
266.24808	14.3
278.24765	22.7
278.28119	3.3
279.25015	2.2
296.25998	48.8
296.29227	2.9
297.26138	3.2
298.10809	3.0
299.11389	1.8
314.13736	5.6
314.24524	42.6
314.30615	3.0
315.07635	2.7
315.19809	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	314.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02411	0.4
50.71161	0.5
55.05517	2.5
56.05037	1.1
56.26019	0.4
57.07064	2.8
58.06604	1.0
60.04527	4.4
65.03938	0.9
67.05505	7.0
69.07057	1.8
70.06594	1.0
71.08634	1.3
72.04518	0.7
72.08173	0.9
79.05487	2.3
80.05011	1.3
81.07058	5.7
82.06581	1.5
82.07371	0.9
83.08621	1.6
84.08147	1.9
85.06484	0.5
85.08938	0.6
86.06055	0.8
90.32975	0.4
90.40309	0.5
91.05481	1.8
93.07024	2.4
94.06546	0.5
95.04968	100.0
95.08589	3.1
96.05305	2.4
96.08143	0.6
102.09181	9.9
102.64905	0.5
105.07037	1.3
107.08583	1.8
108.08121	0.6
109.10151	1.5
110.09696	0.8
111.08080	0.4
112.07598	0.9
119.08585	1.7
120.08134	0.6
121.10148	0.9
122.09658	3.3
122.10419	0.6
123.10455	0.7
123.11695	1.1
126.26424	0.5
131.08620	0.8
135.11708	0.8
140.10728	1.3
141.12726	1.7
145.10098	0.6
166.15903	0.6
167.16275	0.6
193.15874	0.5
229.12177	0.4
235.42520	0.4
245.40231	0.5
248.23923	0.5
251.20045	4.5
278.21817	1.0
278.24771	10.3
279.25223	0.7
296.25836	24.7
297.26099	1.4
298.10547	0.7
314.13885	2.2
314.26889	25.3
315.19611	0.5
315.23868	0.5
315.27332	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	314.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.0
56.05016	0.7
57.03440	4.8
57.07078	8.2
58.06365	0.4
58.06596	4.8
62.16693	0.4
63.05006	0.4
67.05170	0.5
67.05501	4.1
69.07054	2.0
70.06606	2.0
71.04984	0.5
71.07343	0.5
71.08631	12.2
72.08153	22.6
76.27371	0.6
79.05494	4.0
81.07052	23.4
83.08587	1.5
84.08144	4.1
85.06494	0.5
85.08932	3.0
85.09724	0.5
85.10184	7.0
86.09673	1.3
91.05468	0.8
93.07018	1.7
95.04981	2.8
95.08052	0.7
95.08605	9.7
96.05272	0.4
97.06523	0.6
97.10159	1.0
98.09652	1.6
98.23357	1.1
99.56273	0.4
107.08587	1.0
109.10161	0.8
110.09615	0.5
121.10069	0.6
124.11193	0.8
126.12798	0.5
128.10721	0.4
131.08607	0.6
137.13203	1.3
149.13225	0.4
155.14308	8.0
156.08498	0.4
211.20508	0.4
219.92996	0.4
251.23668	6.3
252.23875	0.5
282.61188	0.5
296.29462	56.2
297.29834	3.5
300.06314	1.8
314.30505	100.0
315.08578	2.9
315.30884	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	314.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
56.05046	3.6
57.03446	1.0
57.06794	1.2
57.07075	20.0
58.06603	39.4
67.05511	7.3
69.07079	4.7
70.06596	2.0
70.56300	1.3
71.04979	0.7
71.08636	12.6
71.50135	0.6
72.04527	1.2
72.08145	2.2
75.20039	0.7
79.05498	3.4
81.07062	17.0
82.06567	1.2
83.08625	3.2
84.08152	2.2
85.10182	11.4
85.15672	0.7
86.78936	0.8
90.86263	0.7
93.07053	3.0
95.07349	0.8
95.08609	19.0
96.08141	0.8
97.10162	0.9
105.03221	0.7
106.88452	0.6
107.08646	0.9
108.08094	1.1
109.10161	4.8
110.09669	6.7
128.10628	0.8
136.51233	0.6
151.14798	1.1
152.14354	0.6
169.15871	10.0
251.23608	3.6
257.82941	0.7
265.25345	4.9
278.28415	1.4
296.29480	69.3
297.29846	4.7
314.30518	100.0
315.30786	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03181	1.0
55.05503	4.6
56.05042	9.8
57.03430	4.1
57.07077	27.2
58.06601	32.9
67.05512	9.6
69.07071	5.3
69.57293	4.5
70.06586	1.7
71.04975	1.2
71.08635	13.8
72.08167	2.4
79.05491	7.7
81.07059	35.6
82.06596	1.0
83.08612	4.0
84.08144	3.4
85.06511	1.0
85.10188	14.9
93.07051	3.7
95.08613	25.2
97.10181	1.4
107.08599	1.2
109.10147	8.0
110.09673	2.5
169.15889	16.7
223.17068	1.2
241.97151	1.1
251.23747	2.1
265.25281	14.8
278.28452	7.3
296.29480	96.5
297.29843	7.9
314.30521	100.0
315.30707	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	315.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
59.09394	0.8
60.05641	4.3
62.23165	0.9
67.62796	1.0
69.59612	4.8
70.06595	29.3
71.06908	1.1
72.08159	3.7
83.00966	3.9
84.08150	2.4
86.03040	1.0
86.09708	1.5
91.05478	1.0
97.07622	1.8
98.97585	5.3
100.03619	1.6
101.02008	5.6
104.15289	1.0
110.07200	1.1
112.03591	4.7
112.08742	2.1
114.09174	2.4
116.05622	1.5
116.07105	1.0
116.98620	3.6
118.04667	4.8
118.07159	1.3
119.01925	2.6
119.03085	1.0
125.05561	1.3
129.10237	1.6
130.04642	3.0
131.01903	1.3
132.05232	1.0
132.06213	2.4
134.06673	1.6
134.99747	1.6
136.05649	1.5
137.05817	2.3
140.06763	1.5
142.08231	5.1
144.05081	2.2
148.72296	0.9
149.37537	0.9
150.07222	1.2
152.06702	3.9
153.05093	2.4
153.09798	1.2
154.08328	4.3
155.06650	23.8
155.07829	1.8
156.05054	2.6
156.06847	1.0
158.07848	1.1
158.99826	1.2
159.10956	1.2
159.99878	1.2
160.09325	4.3
162.06140	1.0
165.23964	1.0
167.07710	1.0
168.06192	3.4
169.09366	13.6
170.07782	5.4
170.09317	1.0
171.04918	1.3
171.06178	5.9
171.10931	21.4
172.04529	2.1
172.09325	10.0
172.10818	1.6
172.94403	2.3
173.07726	100.0
174.06152	3.7
174.07890	5.1
174.97635	10.5
176.97389	2.9
177.00981	12.4
177.02385	1.8
178.01079	10.6
179.00722	3.1
179.07860	2.7
186.07268	2.5
187.05663	3.9
187.10434	10.0
189.06108	1.8
189.11975	25.9
189.13622	1.8
189.78235	1.0
190.12094	1.3
190.94995	5.0
191.08809	2.4
192.07173	2.3
192.98705	8.8
194.98563	1.9
196.09235	1.6
197.02985	1.3
197.08853	30.7
198.07249	3.0
198.08917	1.4
200.99226	2.8
201.00981	1.2
202.01147	2.0
203.02487	2.7
204.02591	6.3
205.02368	2.5
205.06670	1.4
208.95976	6.4
209.07707	3.5
210.06107	2.8
211.09337	1.4
212.02576	1.3
215.09906	78.2
216.08273	8.6
216.10062	4.2
217.04041	5.6
218.04114	1.4
219.00249	4.6
219.02034	11.9
219.03859	1.6
220.02135	29.6
221.01842	10.2
227.02429	1.8
227.08801	3.6
228.07266	2.8
229.10448	1.3
230.03625	1.0
232.95961	4.1
233.10945	28.7
236.99576	1.0
237.07231	2.6
238.05524	1.2
238.11481	1.7
243.02042	2.6
244.98222	2.9
245.00368	1.0
245.03493	9.3
247.55099	1.0
250.96945	3.4
253.05602	1.1
255.08263	27.3
256.06543	1.6
261.03082	3.4
262.99146	1.5
264.99130	2.1
268.04315	1.2
271.01447	3.5
271.06601	2.0
272.95862	2.0
273.02921	2.2
273.06363	1.2
273.09280	19.2
273.12048	1.4
274.97089	1.9
279.09381	2.9
285.08463	2.7
286.08212	1.2
289.02301	5.6
290.96497	6.2
291.97083	1.3
292.03522	1.6
292.98065	1.3
297.10464	37.9
298.10773	1.7
314.95200	2.4
315.00461	2.7
315.08847	3.4
315.11456	17.2
316.03558	2.2
316.09235	4.1
332.96048	2.3
333.01614	6.8
333.06793	2.0
333.10471	19.4
334.10107	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	315.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01863	2.0
55.05512	8.2
56.05043	8.9
57.07056	2.3
58.06580	3.1
58.99588	8.2
61.01136	2.0
67.05491	4.3
68.05014	3.9
69.07062	3.1
69.50613	10.2
70.06589	1.7
71.08614	2.4
72.08134	6.3
74.00654	3.5
76.02206	1.9
79.05074	1.8
79.05499	28.1
80.04984	5.4
81.03381	2.8
81.05769	2.4
81.07062	35.7
82.06570	8.1
84.04466	2.9
84.08109	6.4
84.08568	1.7
85.01130	54.6
86.00656	42.4
86.09706	64.5
87.02697	1.8
87.96173	1.8
88.02184	2.6
91.05453	4.2
92.01685	2.9
93.07023	6.6
94.06568	12.3
95.04958	4.3
95.07318	1.9
95.08630	9.9
96.08125	14.7
97.01104	4.0
97.08894	5.0
98.09685	23.7
98.97569	2.8
100.02164	2.5
104.80994	1.7
105.06992	7.1
107.07345	2.1
108.08115	6.5
109.08909	2.9
110.09686	15.2
111.02606	2.8
113.04235	53.9
113.10735	2.8
116.01654	4.7
117.06901	1.8
122.09679	15.8
123.08039	2.5
123.10396	3.8
127.05820	2.4
129.07396	1.9
132.10217	11.9
139.05710	6.2
140.09709	2.3
140.10710	40.7
141.10184	4.5
156.08430	100.0
157.08817	2.6
161.05995	3.9
166.15866	2.5
168.10129	6.2
172.07896	13.4
186.11259	26.3
199.08934	4.9
212.16423	13.2
215.61572	1.6
218.08391	3.7
233.09467	6.4
245.09505	2.5
269.16660	9.4
296.29535	3.2
297.29669	7.5
298.14630	4.6
314.30460	10.5
315.17221	59.7
315.23206	3.3
315.30856	15.0
316.17535	2.9
316.26257	2.7
316.32053	2.3
328.09799	1.6
328.18027	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	315.1955
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03940	3.9
55.01861	2.2
55.05493	5.0
57.03434	7.2
60.04504	2.8
65.03938	3.7
66.48530	1.3
67.05186	1.8
67.05511	26.8
69.03422	2.2
69.07082	8.8
69.88047	5.5
70.06590	1.5
79.05495	8.6
81.03426	72.9
81.07065	12.3
82.03730	2.9
83.04977	4.6
83.08598	1.7
88.07618	3.0
91.05482	7.4
93.07040	10.4
95.04975	100.0
95.08607	13.8
96.05321	1.5
97.06551	2.8
98.97581	3.0
105.07040	12.3
106.08689	2.4
107.04999	7.9
107.08601	16.4
109.06532	15.7
109.10165	12.6
111.08101	1.4
115.05316	1.8
117.07024	3.6
119.08585	19.3
121.06519	8.0
121.10151	27.7
123.04444	14.4
123.08077	8.4
123.11710	15.7
128.06244	2.0
129.06984	3.8
131.08560	7.8
133.06482	4.2
133.07471	1.5
133.10135	11.3
135.08049	9.6
135.11691	9.8
137.05977	1.7
137.09619	6.7
137.13258	2.3
141.05450	2.1
142.07788	1.9
143.08551	7.7
145.06488	14.6
145.10120	9.7
147.08075	11.1
147.11658	6.1
149.05995	2.1
149.09662	8.3
149.13300	2.7
151.07571	6.9
151.11165	3.0
155.08540	3.9
156.09233	1.8
157.10133	6.2
159.08031	3.7
159.11746	9.3
161.09636	5.0
161.13266	2.2
163.07509	2.9
163.11194	22.6
165.09105	2.3
165.12715	2.2
169.10123	3.5
171.08069	2.4
171.11725	7.3
173.09637	4.5
173.13260	5.1
175.11197	2.8
175.14818	13.2
177.09125	3.3
177.12733	5.2
179.07005	1.8
179.10681	1.9
181.10129	2.7
183.11710	2.6
185.09666	5.7
185.13344	2.0
187.11186	4.5
187.14796	2.5
189.12807	3.5
191.14301	11.9
193.08600	3.5
193.15895	55.6
195.11638	3.2
197.13202	2.9
199.11172	4.7
199.14879	1.8
201.12756	3.9
201.16316	1.6
203.14253	2.6
205.12187	1.5
209.13248	1.9
211.14838	3.5
213.12732	4.7
215.10806	1.9
215.14354	3.2
219.13794	1.6
225.12813	2.4
228.15178	3.8
229.15845	4.9
239.14319	4.8
240.14923	2.1
241.15854	4.6
243.13826	4.4
251.17874	2.0
255.17429	4.5
257.15347	1.9
259.16898	5.0
269.19016	9.8
271.17197	1.6
273.18491	4.2
274.97397	3.3
279.17413	5.0
282.16113	2.4
287.20010	4.6
292.98419	3.4
297.18469	22.7
315.16064	3.2
315.19516	49.4
316.19843	4.1
316.28531	2.7
316.32037	3.7
326.05963	1.8
338.72891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1958
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
51.42815	1.4
53.03944	2.9
53.23441	1.3
55.01871	1.7
55.05517	2.1
56.96563	1.5
57.03444	9.2
57.07072	3.3
60.04536	3.7
65.03947	1.6
67.05508	24.1
69.03429	2.2
69.07070	3.5
69.46857	4.7
70.06607	1.6
79.05502	3.9
81.03424	65.8
81.05799	1.3
81.07065	5.4
82.03752	1.7
82.37723	1.3
83.05008	3.1
87.04523	1.2
88.07653	2.4
91.05486	5.6
93.07055	6.8
95.04975	100.0
95.08611	10.4
96.05334	1.7
97.06539	2.3
98.97591	2.9
105.07028	9.6
106.07805	1.0
106.08682	4.3
107.04951	2.9
107.08595	9.4
109.06506	8.3
109.10183	6.1
111.08123	2.1
116.98650	1.4
117.07014	3.1
119.08586	12.0
121.06508	3.8
121.10148	25.8
123.04442	16.3
123.08082	7.6
123.11717	5.7
129.07033	2.5
131.04878	1.8
131.08572	6.8
133.06531	2.5
133.10138	10.4
134.99661	1.7
135.08089	4.1
135.11696	9.0
137.05998	1.9
137.09610	4.4
141.05469	3.9
142.07684	1.3
143.08562	2.5
145.06482	12.5
145.10155	8.6
147.08049	8.2
147.11700	2.5
149.09651	3.4
151.07527	3.7
151.11115	1.6
155.08571	1.8
156.09319	2.0
157.10120	5.8
159.08047	2.9
159.11714	7.9
161.09610	1.8
161.13248	1.4
163.11185	15.1
165.09198	2.0
165.12778	1.5
169.10194	3.6
171.08080	2.7
171.11726	3.9
173.13268	7.4
174.47699	1.3
175.11292	1.8
175.14824	13.3
177.12766	4.3
179.07043	2.5
180.89432	2.0
183.11737	1.7
185.09657	3.7
186.10255	1.5
187.11229	1.8
189.12811	1.8
191.12851	1.5
191.14287	9.0
193.08647	1.6
193.14163	1.9
193.15904	31.6
194.16238	1.6
197.13303	2.8
199.11214	2.3
201.12720	7.2
202.03981	1.3
203.10822	1.6
203.14313	1.8
209.13293	1.3
213.12773	3.9
215.14343	3.7
225.12729	2.1
228.15179	2.3
229.15840	2.5
237.12762	1.6
241.15927	5.4
243.13875	3.1
255.17461	4.5
257.15268	1.6
259.16949	5.2
269.18997	4.0
273.18488	8.0
274.97504	3.2
279.17322	3.4
287.16644	1.3
287.20129	1.8
297.18512	18.9
315.07486	1.5
315.19553	37.9
316.19931	3.0
316.32019	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	315.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05515	4.9
57.03438	4.5
57.07083	9.1
58.06595	0.9
58.07409	1.9
65.03940	1.9
67.05505	10.0
68.05850	0.8
69.07076	6.5
69.28878	3.8
69.29290	1.5
70.06595	6.8
70.07407	1.1
71.05004	1.5
71.08649	5.0
72.08941	1.0
79.05492	8.4
81.07059	17.7
83.05006	1.6
83.08619	5.5
85.10178	1.6
88.07629	19.1
91.05483	100.0
92.05812	1.9
93.07034	4.3
95.04977	2.4
95.08612	25.3
96.08949	0.8
97.06531	20.7
97.10182	2.3
98.06850	0.6
98.23354	1.2
99.08089	3.2
103.05462	1.6
105.07035	16.8
106.08670	28.1
107.04961	3.3
107.08591	2.6
109.10164	3.7
111.08083	1.1
115.05445	3.3
117.07022	86.1
118.07369	2.0
119.08572	2.7
121.06526	5.1
121.10175	1.0
123.11735	1.2
128.06236	5.3
129.07011	27.9
131.08563	18.3
133.10129	1.6
135.11711	2.0
141.07056	1.0
142.07854	0.7
143.08571	30.8
144.08910	1.3
145.10114	1.5
157.10146	5.2
159.11649	1.5
171.11740	1.9
179.62689	0.7
185.13264	23.5
186.13515	0.9
193.97017	0.6
203.14308	5.8
219.17451	0.7
255.23219	4.2
257.19037	2.1
259.28030	0.7
263.07544	0.6
273.22122	12.4
274.22357	0.7
275.71198	0.6
287.23737	1.2
297.19019	0.7
297.22025	3.5
298.27414	0.9
315.10733	1.2
315.14166	0.9
315.19751	1.3
315.23209	10.1
315.27948	10.2
315.34311	7.5
316.28418	4.5
316.31912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	3.2
55.05521	1.8
56.05032	2.5
57.03437	8.4
57.55951	0.7
58.06602	1.7
60.04522	1.0
61.02930	10.3
67.05518	1.0
69.03433	21.2
69.07049	1.5
70.06595	19.1
71.01349	0.7
71.04993	3.4
71.20714	1.6
72.08160	16.1
73.02924	4.9
74.06094	1.3
74.95118	0.7
79.05510	1.3
81.03419	11.2
82.03748	1.1
83.01365	1.0
83.04986	1.2
83.06121	8.5
84.04500	10.8
84.08145	18.0
85.02908	100.0
86.03244	1.8
86.09707	28.1
87.04452	1.5
91.03955	6.1
91.05505	0.8
93.07036	1.0
95.01341	0.9
95.05010	1.4
96.04457	1.4
96.08116	5.1
97.02892	28.5
98.03252	0.9
99.04467	3.8
100.02220	1.2
101.07158	2.3
101.10829	0.7
102.05528	1.0
105.07044	1.2
107.08546	0.8
109.02885	17.0
110.03243	0.9
111.04448	3.7
112.08781	0.9
112.11215	1.4
113.07153	1.2
114.09173	11.0
115.03913	0.9
115.08725	1.4
116.07104	11.9
125.02348	1.0
126.05507	1.5
127.03916	22.4
128.10690	1.1
129.10242	16.5
130.06526	0.7
132.10211	7.1
136.03957	2.6
140.08205	3.2
140.10681	0.9
141.06578	1.9
143.11777	1.7
145.04961	23.2
154.08540	1.0
157.09784	0.8
158.09222	1.7
160.04002	1.6
163.06042	2.6
168.07703	3.3
169.06064	1.8
170.05966	1.2
173.12869	3.8
186.08867	1.5
186.12338	0.9
189.12370	2.7
196.06020	1.0
201.12381	1.5
203.10260	2.4
220.11244	0.9
224.05994	1.1
228.08675	1.0
228.17130	1.0
254.14873	1.2
274.97409	1.2
298.20184	3.1
299.17233	6.7
316.13046	2.8
316.21292	17.2
317.11844	1.6
317.21802	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.9
56.05036	16.8
58.99586	15.1
65.03944	6.2
67.05515	19.4
69.07056	6.5
69.89676	8.6
70.02939	2.6
70.06589	6.0
71.05010	3.3
72.08159	2.4
73.01142	12.1
74.00655	2.4
76.02226	6.8
79.05492	22.3
80.05006	5.4
81.07053	28.1
82.06586	13.2
83.08637	3.8
85.01124	8.3
86.00654	27.3
86.63112	2.3
86.99048	7.1
87.02699	2.9
87.86714	2.5
88.02223	8.1
88.04008	5.0
91.05473	25.1
93.07043	22.5
95.04928	2.7
95.08610	6.3
97.01103	16.7
97.06518	2.9
98.97596	3.0
99.02685	14.4
100.02165	2.6
105.00092	3.2
105.07013	12.8
106.06513	2.5
107.08577	8.3
109.06480	3.9
109.10134	4.2
111.02643	5.2
113.04227	3.9
116.98608	3.4
117.07051	3.9
118.53841	2.2
119.08574	9.5
120.01250	2.8
122.02721	4.5
123.02627	3.5
125.04197	3.3
129.07028	3.7
131.08563	8.1
132.01151	28.2
133.10132	16.9
138.61139	2.2
141.27516	2.2
147.11667	12.2
149.13232	7.3
157.10124	5.9
159.11702	4.3
166.78543	2.3
175.11189	5.5
177.12764	11.2
181.10524	3.6
191.08875	5.2
193.12288	5.4
194.15440	7.5
209.09949	13.5
212.16405	8.0
222.73778	2.1
227.10951	5.8
236.16435	2.3
252.14255	6.3
270.15161	22.8
298.14612	17.3
316.15768	100.0
316.24756	6.1
317.15991	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	316.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
56.05033	0.8
57.03430	0.5
58.06594	0.6
60.04530	8.5
67.05508	0.5
68.05018	1.0
69.07063	2.0
69.70004	1.8
70.02975	0.5
70.06595	100.0
71.06929	1.3
72.08160	3.9
74.06094	0.8
80.05014	1.4
81.07068	0.4
82.04208	1.6
82.06592	1.0
83.04962	1.1
84.04507	1.0
84.08132	3.1
86.09708	32.1
87.05598	1.4
87.10058	0.6
91.05478	0.5
93.05798	3.0
94.06577	4.7
96.04481	0.6
96.08144	3.9
98.06055	1.0
102.05561	0.9
108.08130	1.0
110.06072	0.8
111.06831	4.8
112.07613	1.0
112.11230	0.8
114.09167	8.3
116.07091	15.1
119.35404	0.4
120.08170	0.5
124.07611	0.6
125.02375	0.5
128.10750	1.1
129.10251	1.7
130.06554	1.0
132.10219	1.9
136.07588	2.8
137.08415	0.9
138.09137	5.3
139.08636	0.7
143.11740	0.4
146.06094	0.5
146.16556	0.6
154.08673	2.1
155.09442	3.6
157.09731	17.7
165.04411	0.4
167.08194	0.5
172.09694	24.3
173.10136	1.0
173.12856	7.5
183.11209	0.5
185.09218	13.9
186.09549	0.4
188.07077	1.1
199.18074	4.7
201.12373	1.5
203.05281	0.5
203.10182	0.6
203.13960	1.1
219.13448	2.3
227.17490	1.5
228.08693	0.6
229.15479	15.2
255.13536	0.5
276.83566	0.4
298.17166	0.6
298.20334	0.7
299.15714	0.4
316.17627	52.0
316.21228	6.6
317.12000	1.9
317.18027	3.1
317.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2119
Annotation	Butoctamide hydrogen succinate
Peak:m/z	Relative Intensity
56.05023	0.5
57.05816	0.3
57.51284	0.3
58.06615	0.9
67.05501	1.0
68.54219	0.4
69.07066	1.0
69.28925	2.1
69.29219	0.7
70.06594	2.4
71.04998	1.3
72.08156	100.0
73.08487	1.2
81.07068	1.1
84.08141	0.5
86.09704	1.2
91.05499	0.6
93.07060	1.0
95.04964	0.6
95.08620	0.9
97.06535	0.7
98.22621	0.6
99.04454	0.8
105.07018	0.6
109.06500	0.5
113.06021	0.6
117.07124	0.3
124.11232	2.3
131.08574	0.7
135.08057	0.5
141.05545	0.4
149.09645	0.6
159.06563	0.7
175.11124	0.3
189.12758	0.4
235.13400	0.5
238.18022	0.7
254.21176	1.6
263.97464	0.4
268.40686	0.3
272.22275	2.7
281.57327	0.3
298.20105	1.9
316.21182	68.3
317.21552	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	316.212
Annotation	Butoctamide hydrogen succinate
Peak:m/z	Relative Intensity
53.03934	0.2
55.05519	0.7
58.06602	0.4
60.04522	0.2
68.05020	0.4
69.07052	0.4
70.06602	1.2
71.22453	0.3
72.08157	1.2
74.84284	0.2
79.05499	3.9
81.05807	1.2
81.07092	0.3
86.09718	1.1
94.06561	1.9
96.08131	36.0
97.06532	0.7
97.08450	0.8
114.09167	100.0
115.09493	2.6
116.06368	0.2
116.07085	1.4
123.08101	0.2
171.14932	0.3
173.12848	0.5
280.33612	0.2
298.20151	1.0
316.21173	39.3
317.12250	1.3
317.21548	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	316.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.42907	0.3
57.03442	0.4
57.34403	0.3
58.06594	1.1
64.07837	0.3
67.05503	1.3
69.07066	1.0
69.81991	1.3
70.06591	0.8
72.08159	1.6
78.05488	0.3
79.05480	0.4
81.07051	1.5
84.08169	0.9
86.09704	100.0
87.10032	1.7
91.05474	0.4
93.07066	0.3
95.08617	1.4
119.08583	0.4
123.11719	0.5
129.10260	0.4
143.11792	36.2
144.12141	0.9
146.11757	36.9
147.12039	0.8
171.11278	7.1
176.48105	0.4
217.73241	0.3
230.62785	0.4
259.20306	0.6
280.22742	0.9
298.23810	1.0
298.27438	2.5
316.24823	4.5
316.28531	4.6
317.25238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.23278	0.4
55.05515	1.1
56.05033	0.8
57.03438	0.8
58.06593	1.2
67.05506	2.5
69.05718	3.0
69.07071	1.1
70.06587	1.7
72.08166	3.3
72.09502	0.4
81.07050	1.5
82.06585	0.7
84.08138	3.0
86.09704	100.0
87.10053	1.4
91.05479	0.5
93.07043	1.0
95.08607	1.8
96.08131	0.6
97.06541	0.7
98.50683	0.4
100.54211	0.4
107.08590	0.4
109.10156	0.8
110.09679	4.1
112.11226	4.3
128.10715	15.9
129.11049	0.6
130.06503	0.6
132.10201	5.4
142.82639	0.4
157.13365	51.9
158.13730	0.7
179.07155	0.4
181.69800	0.4
185.12854	18.8
186.13199	0.6
216.99930	0.4
233.72144	0.4
236.23779	0.7
238.21663	1.5
245.18578	3.2
256.22647	0.5
280.22672	3.5
298.23788	8.0
316.24811	54.1
317.25082	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	316.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38440	0.5
53.01669	0.5
53.47343	0.5
55.05497	0.9
56.05024	0.8
57.03447	1.1
58.06603	1.9
67.05499	1.6
69.07069	6.5
69.43457	1.9
70.06581	1.4
72.08157	16.8
78.87833	0.5
80.27537	0.6
81.07043	1.9
84.08150	5.0
85.06522	0.7
86.09706	100.0
87.10022	1.7
93.07037	1.2
95.08588	2.3
107.08593	0.6
107.22874	0.5
109.10162	0.7
118.28652	0.6
132.10201	5.5
157.07625	0.8
157.13367	43.5
158.13620	0.9
177.44196	0.6
185.12859	16.7
203.13930	5.5
227.17564	0.6
236.23723	3.8
238.21666	10.8
239.21875	0.7
245.18692	0.9
254.24818	2.8
256.22678	2.6
298.23761	7.4
316.21106	10.4
316.24741	54.4
317.22089	0.9
317.25110	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	316.2482
Annotation	O-Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
55.05518	1.3
56.05033	1.2
57.03452	1.4
58.06599	3.5
64.06769	0.3
67.05505	2.9
69.07074	1.1
69.24425	0.3
69.71687	0.6
69.72091	1.0
70.06590	1.4
71.05017	0.5
71.07360	0.4
72.08153	4.0
81.07056	4.0
81.17156	0.3
81.46847	0.3
83.08621	0.8
83.32162	0.3
84.08148	7.0
85.06538	0.4
88.07631	0.7
90.02195	0.3
91.05481	0.8
93.07056	2.3
95.08604	2.6
96.08129	0.4
97.10171	0.4
98.09663	0.5
105.07009	0.5
107.08583	1.0
109.10173	1.3
110.09705	0.3
112.11244	1.2
119.08549	0.4
121.10176	0.4
133.10165	0.6
135.11658	0.4
172.15257	0.3
236.23717	6.3
237.24045	0.4
238.21663	19.6
239.22034	0.6
254.24797	5.6
256.22736	6.5
257.23203	0.4
262.21716	0.4
280.22736	0.9
298.23782	14.5
299.24008	0.7
316.24817	100.0
317.25107	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	316.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37566	0.3
55.05505	1.4
56.05043	2.1
57.03432	1.1
58.02948	0.3
58.06611	2.5
67.05179	0.5
67.05508	4.7
69.07059	1.2
69.74953	1.3
70.06596	2.6
71.04984	0.6
72.08139	0.7
81.07057	4.0
82.06578	0.9
83.08608	0.7
84.08141	6.0
85.06545	0.4
86.09702	0.9
88.07616	0.7
91.05480	0.5
93.07056	2.3
95.07357	0.5
95.08610	2.9
96.08130	1.4
97.06544	1.8
98.09677	0.4
98.23259	0.4
107.08597	1.1
108.08126	1.1
109.10170	1.7
110.09685	8.3
111.10481	0.4
112.10523	0.6
112.11246	8.6
114.09187	0.5
115.39948	0.3
120.22162	0.3
121.10154	0.8
124.11259	0.4
128.10722	29.6
129.11043	0.9
133.10187	0.6
135.11667	0.3
157.13336	0.4
209.06227	0.4
236.23723	1.0
238.21658	2.7
254.24721	0.6
256.22702	0.9
263.05045	0.3
280.22726	5.4
281.22940	0.4
288.11368	0.3
298.23782	14.6
299.24023	0.8
316.24826	100.0
317.25226	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	316.2483
Annotation	Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
51.99137	0.2
52.80468	0.2
55.05504	0.9
56.05040	1.7
57.03428	0.8
57.05799	0.4
58.06604	21.4
59.80596	0.2
61.20295	0.2
67.05513	1.8
69.07062	1.1
70.06593	1.4
72.08158	4.0
81.07065	2.3
82.06561	0.3
83.08624	0.9
84.08118	0.5
86.06087	0.2
87.06815	0.3
88.07627	0.8
91.05472	0.5
93.07044	1.3
95.08616	2.5
96.08124	0.7
97.06534	0.4
97.10165	0.2
98.23462	0.5
100.07643	0.3
105.07071	0.4
107.08591	0.7
108.08139	0.5
109.10181	0.6
110.09681	0.4
119.08617	0.4
121.10150	0.7
123.11680	0.3
128.10692	0.3
131.08585	0.3
133.10150	0.4
145.27563	0.2
149.13329	0.2
178.97420	0.2
196.16914	1.1
214.18100	0.8
237.22307	0.2
254.21243	1.5
262.21851	0.4
280.22717	5.0
281.22937	0.2
298.23792	5.1
299.24158	0.3
313.82370	0.3
316.24823	100.0
317.25180	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	316.2483
Annotation	O-Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
55.05494	1.4
56.05040	2.3
56.96552	0.3
57.03428	1.7
58.06604	5.2
67.05504	5.7
69.07069	2.5
69.85150	1.1
69.85487	0.3
70.06587	4.0
71.04989	0.9
71.07364	0.7
72.08154	11.4
73.06536	0.4
81.07056	7.6
82.06562	0.7
83.04966	0.3
83.08582	0.8
84.08139	9.2
85.06544	1.0
86.09691	0.8
88.07639	0.9
91.05488	2.1
93.07056	4.0
94.06573	0.5
95.04955	1.6
95.08603	4.6
96.08124	1.6
96.96272	0.3
97.06521	0.7
97.08910	0.4
98.09679	0.9
98.97590	0.5
105.07009	1.4
107.08576	2.7
107.97723	0.3
108.08112	0.7
109.06536	0.4
109.10136	1.5
110.09676	2.1
111.08076	0.5
111.10467	0.5
112.07560	0.9
112.11253	1.4
114.09139	0.6
116.98615	0.5
117.06970	0.4
119.08545	0.7
121.10114	1.5
123.08046	0.4
124.11200	1.2
125.09566	0.4
128.10715	3.8
130.08604	1.0
131.08539	1.0
133.10103	1.0
135.11667	0.8
138.12740	0.6
144.10223	0.3
147.11679	0.7
149.09535	0.4
149.13353	0.4
159.07846	0.4
159.11636	0.8
171.11653	0.4
177.12755	0.4
254.21089	0.4
262.21616	1.0
280.19498	0.7
280.22678	9.7
281.22964	0.4
298.20093	2.2
298.23715	21.4
299.20822	0.3
299.23865	1.5
316.21170	13.0
316.24756	100.0
317.21454	0.8
317.25009	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.67889	0.6
55.05514	3.1
56.05033	3.1
57.03435	2.7
57.07072	2.5
58.06602	100.0
59.06930	1.0
60.04520	0.6
60.61277	0.6
66.81709	0.6
67.05504	5.6
69.07062	3.3
69.62640	2.9
70.06604	2.9
71.05000	0.9
71.08634	4.5
72.08157	19.4
72.08539	1.2
73.69109	0.6
79.05516	2.4
81.03452	0.7
81.07059	6.9
82.06602	1.4
83.08661	1.6
84.08168	2.7
85.10210	2.4
85.87330	0.7
88.07651	1.4
91.05489	3.8
93.07095	2.6
95.05029	1.2
95.08600	6.9
97.06577	2.0
97.10218	1.1
100.07673	0.8
102.09232	0.8
105.07098	1.0
107.08646	1.9
108.08168	1.6
109.10231	2.0
110.09683	10.6
110.10359	0.8
117.07078	0.9
119.08627	0.8
121.10218	1.9
123.11771	0.8
124.11227	0.8
131.08701	0.8
135.11780	0.8
137.13280	0.8
155.14473	2.1
171.12003	0.7
177.14406	0.7
280.26331	7.6
298.24387	1.8
298.27405	39.4
299.28159	2.0
316.22726	1.9
316.28973	25.5
317.21326	1.0
317.29330	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.99998	0.3
55.01860	0.2
55.05510	2.5
56.05035	0.5
57.03436	3.1
57.05805	0.4
57.07074	4.9
58.06606	1.1
67.05510	3.3
69.07074	3.2
69.17007	1.4
70.06590	2.2
71.04996	0.7
71.07380	0.5
71.08633	4.9
72.08155	100.0
73.08491	1.3
75.04482	0.3
81.07059	4.8
82.06578	0.3
83.04981	0.3
83.08611	1.3
84.08142	1.0
85.06514	0.4
86.09698	2.1
91.05479	0.8
93.07050	1.3
95.04990	0.4
95.08613	4.2
96.08130	1.0
97.06521	1.9
97.10149	1.3
102.09187	0.5
105.07054	0.8
107.08598	1.1
108.27046	0.3
109.08898	0.3
109.10151	1.4
121.10160	1.5
123.11720	1.0
124.11217	2.8
129.10249	0.3
135.11710	0.6
138.25792	0.2
141.12732	2.4
160.22459	0.2
169.15880	0.8
177.16417	0.5
220.60632	0.3
235.20522	0.5
256.20706	0.5
263.91901	0.4
280.26361	2.6
286.65042	0.2
298.27399	22.3
299.27744	2.0
316.22556	2.8
316.28445	66.9
317.28821	3.8
335.93430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05515	4.8
56.05029	1.2
58.06601	9.0
67.05507	9.8
69.07067	3.4
69.12473	1.6
69.12903	2.0
70.06594	18.5
71.04995	0.8
72.08155	1.3
81.07059	9.5
83.08618	2.0
84.08141	1.8
86.09705	1.7
91.05508	1.0
93.07056	3.6
95.08617	9.0
96.08108	0.5
96.08970	0.4
97.06498	0.6
97.10183	0.7
98.09692	1.3
98.97575	0.6
107.08560	1.1
109.10140	2.5
110.09673	0.6
116.98673	0.5
121.10148	1.3
121.22929	0.4
129.12825	0.5
131.08574	0.5
254.21255	0.5
255.56039	0.4
262.25308	1.0
280.22742	2.0
280.26352	10.1
281.26648	0.6
298.27386	51.6
299.27728	2.7
303.38361	0.5
316.24796	29.1
316.28455	100.0
317.25101	2.0
317.28781	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	316.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	16.5
58.06602	0.3
60.04519	1.3
67.05486	0.3
69.98745	1.4
70.06600	17.7
71.08641	9.9
78.06521	0.5
85.10188	4.1
88.07639	27.7
89.07970	0.8
102.09158	0.5
106.08678	31.3
216.39754	0.4
298.31223	0.5
316.32123	100.0
317.32462	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	317.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
55.65242	0.9
56.05035	1.1
57.03441	1.1
58.06593	1.3
64.13173	1.1
66.24699	0.8
66.25512	0.8
67.05497	2.7
69.07074	1.1
69.32215	4.3
70.06582	2.4
72.08148	1.8
79.05479	3.1
80.05003	1.5
81.07054	4.4
82.07386	1.8
84.08145	2.3
86.09709	2.7
91.05486	6.7
92.05012	1.2
93.05782	3.1
93.07052	1.8
94.06567	5.2
95.04949	1.2
95.08615	0.9
97.06602	0.8
106.06561	12.7
107.07343	6.8
108.08118	27.6
108.08861	1.6
110.06036	12.6
110.09673	1.7
111.10017	1.4
112.11250	2.0
113.11589	1.4
116.08919	0.7
118.06507	0.9
120.08112	3.8
122.06029	2.4
124.07579	4.9
128.10693	5.6
129.11070	4.3
134.06013	11.3
135.06804	1.3
136.07582	15.4
143.08534	1.1
144.08107	1.7
146.09663	1.3
148.07558	11.9
152.07066	22.6
156.08191	0.9
158.09677	2.1
160.11166	1.8
166.08630	17.0
170.09630	1.2
171.10448	1.3
172.11215	1.2
173.10721	2.0
174.09128	4.2
184.11194	9.1
186.11526	2.1
186.12894	1.9
188.10741	3.0
194.08142	1.3
197.08420	1.1
198.09106	2.2
199.08369	1.2
199.10150	4.6
201.10181	2.5
201.13847	6.7
211.12358	2.0
212.10669	7.5
213.09993	3.8
214.11000	10.3
215.11642	1.6
216.12427	1.3
217.10918	3.9
226.12274	11.4
227.11786	1.2
228.12529	1.8
229.13358	100.0
230.13750	4.6
237.24062	1.1
238.21718	1.2
239.11790	1.0
239.22009	3.4
243.14917	3.0
244.13249	5.9
245.14307	0.8
253.13239	1.1
257.12851	8.1
271.14420	36.1
272.12585	2.0
272.15134	1.3
281.23157	2.3
289.15451	80.0
290.15741	4.6
299.13937	5.6
299.23914	4.6
305.63904	0.9
316.24963	4.0
317.15271	1.9
317.25150	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19275	0.7
53.25427	0.7
55.91532	0.8
56.96590	1.0
60.04546	0.8
67.05511	1.9
69.76527	1.8
69.76913	2.4
70.06611	1.1
77.13012	0.7
78.43867	0.8
79.05478	0.8
81.03413	2.8
81.07070	1.7
88.07627	1.2
91.05489	1.9
95.04968	2.7
95.08584	1.8
105.07038	1.5
109.10140	1.0
119.08576	1.9
123.11704	1.5
133.10127	1.4
145.10153	0.8
205.15802	1.2
317.20914	100.0
317.32571	2.8
318.21207	6.4
318.24249	1.9
318.30231	3.8
335.19547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2096
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03928	1.9
53.58263	1.3
55.05513	3.1
57.03427	5.8
57.07069	4.0
60.04523	1.8
67.05508	14.3
68.73753	1.3
69.03421	2.3
69.07058	4.5
70.06588	2.7
71.31389	1.7
79.05485	4.1
81.03416	32.5
81.07060	14.8
83.04979	2.8
83.08592	3.1
85.06498	1.7
88.07639	6.3
91.05474	20.6
92.05807	8.2
93.06142	1.6
93.07045	7.0
95.04969	40.2
95.08599	11.0
96.08915	1.9
97.06498	2.6
98.06837	1.4
99.08082	2.6
105.07021	9.6
106.08696	6.4
107.04917	1.8
107.08579	4.3
109.06498	6.3
109.10162	9.0
115.05445	1.5
117.06999	7.8
118.07369	5.2
119.07750	2.7
119.08576	5.4
121.06508	3.8
121.10111	6.4
123.04422	6.9
123.08030	2.3
123.11706	26.7
129.07031	4.0
130.07361	2.0
131.07671	1.7
131.08528	3.0
133.10118	5.1
135.08063	2.5
135.11700	4.2
137.09644	1.7
137.13237	3.9
138.05487	1.8
143.08580	3.9
144.08987	2.8
145.06448	3.0
145.10149	3.0
147.08023	3.0
147.11682	5.6
149.09662	2.3
157.10117	2.2
161.09636	2.0
161.13226	2.4
163.11203	1.6
165.12755	5.8
171.11707	1.7
173.09750	1.4
175.11259	2.4
177.16338	2.3
179.07085	2.3
186.13708	1.7
187.11218	1.6
195.17506	2.1
205.15903	6.1
241.15732	1.5
243.17413	2.1
271.20502	2.0
281.19403	1.3
299.19949	8.1
317.20941	100.0
317.24399	5.5
317.32364	2.6
318.21225	5.7
318.24146	4.0
318.29834	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.04968	2.1
53.03934	3.0
55.01852	1.9
55.05508	9.6
56.96568	20.4
57.03437	17.5
57.07072	6.6
60.04520	9.3
65.03947	2.4
67.05511	27.3
69.03439	3.1
69.07063	11.0
70.06588	2.8
71.04998	2.2
71.08646	2.5
71.30424	3.1
71.95258	4.8
79.05495	8.9
81.03424	70.6
81.07056	32.7
83.04992	5.4
83.08617	4.2
88.07644	3.4
91.05486	11.5
93.07056	11.7
95.04971	100.0
95.08624	19.3
96.05323	2.9
97.06537	3.9
99.08100	5.1
105.07035	14.9
107.04958	4.8
107.08591	12.0
109.06532	18.4
109.10155	22.4
110.07181	2.5
110.10512	2.1
110.97558	3.4
117.07010	3.2
119.08609	11.4
121.06528	7.7
121.10158	13.4
123.04462	14.6
123.08075	9.0
123.11705	55.9
128.06284	2.2
128.98589	5.0
129.07098	2.3
131.08557	6.7
133.06454	4.8
133.10147	7.4
135.08075	6.8
135.11717	4.1
137.09625	7.4
137.13266	10.8
141.05466	4.9
143.08546	4.4
145.06436	4.9
145.10127	7.1
146.99663	3.5
147.08072	3.2
147.11702	11.0
149.09669	7.4
155.08484	2.4
157.10123	5.3
159.11743	3.9
161.09619	5.5
161.13263	6.0
165.12766	9.6
171.11705	3.3
173.09590	2.9
175.11255	3.6
177.09172	2.9
177.12755	4.5
177.16415	6.4
179.07021	5.9
179.10553	2.4
185.13258	3.2
187.11169	3.7
195.17606	3.2
197.13219	3.3
201.16415	2.7
205.15909	11.1
207.21165	2.5
217.15900	3.8
231.17456	2.5
241.15932	2.7
243.17450	2.7
245.15359	3.1
271.20584	5.0
281.18976	4.8
299.20062	15.3
317.17853	46.8
317.21155	56.6
317.24789	8.8
317.32465	5.4
318.18207	3.6
318.21408	3.3
318.29965	10.6
335.18900	19.5
336.19144	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03943	0.5
54.79630	0.4
55.05517	5.3
57.03430	1.4
57.07077	2.4
57.07302	0.5
57.96994	0.5
58.38153	0.4
60.04510	2.4
60.41927	0.4
65.84740	0.5
67.05189	0.5
67.05508	7.3
69.06732	0.7
69.07072	8.9
71.30873	0.9
79.05491	4.0
81.03381	0.4
81.07058	20.3
82.07413	0.6
83.08618	3.5
88.07608	1.4
91.05487	12.8
93.07037	2.6
95.04966	0.5
95.08608	6.1
97.06505	0.5
97.10136	0.9
103.05475	0.6
105.07034	8.4
107.08573	1.8
109.10143	1.5
112.35773	0.4
116.07003	0.4
117.07015	6.8
119.08588	5.3
121.10136	2.2
123.04413	1.9
123.11710	54.2
124.12053	1.3
128.06194	0.7
129.07001	2.2
131.08566	3.7
133.10129	3.8
135.11711	0.5
137.02335	1.7
137.05984	0.5
141.06967	0.5
143.08566	4.1
145.06456	1.8
145.10120	1.7
147.11696	3.2
149.05928	0.8
151.07538	0.5
155.08578	1.0
157.06479	1.1
157.10046	1.0
159.08058	1.3
159.11737	1.1
161.05986	1.6
161.13260	1.9
163.07536	3.0
164.04665	1.5
165.05473	0.9
165.09111	3.1
169.10173	0.5
171.11610	0.8
173.05972	1.5
173.13260	0.6
175.07538	0.9
175.14833	0.9
177.05464	0.6
177.09125	1.1
179.07034	68.7
179.10518	1.5
180.07385	2.1
183.08052	1.9
185.13255	1.9
187.07639	2.1
187.14757	0.6
189.09129	1.0
191.06999	1.4
191.10645	1.0
195.10124	0.5
197.09650	0.9
199.11201	0.6
201.09131	1.6
203.10686	1.8
205.08522	0.6
205.12234	1.5
207.10170	1.3
211.11189	0.6
212.23718	1.1
215.10722	1.5
219.10184	1.2
221.11719	5.2
229.12247	3.2
231.13724	0.8
233.11708	1.9
239.14346	1.8
243.13789	1.5
245.15324	1.1
249.14877	0.5
255.24258	2.9
256.22610	2.7
257.15372	0.9
274.27460	1.2
275.16449	5.3
281.18933	0.6
299.20102	1.3
299.23474	0.6
300.29059	0.7
317.21140	100.0
317.24680	8.8
317.32593	1.8
318.21524	7.5
318.25165	0.6
318.30084	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	317.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74796	0.3
55.05511	2.7
56.05032	2.7
56.39351	0.3
56.78160	0.3
56.96566	4.8
57.05809	0.5
60.05631	0.4
67.05499	0.8
69.07056	0.6
69.52721	2.0
70.06598	2.6
72.08157	18.8
75.05586	0.5
82.06570	0.6
83.06098	0.6
84.04493	0.9
84.08143	99.9
85.06545	0.4
85.08472	1.5
86.09703	10.8
87.10042	0.4
90.05540	0.4
95.46729	0.3
97.99171	0.5
98.97594	2.1
101.00903	0.5
101.10785	3.4
101.24615	0.4
102.00981	0.4
102.09234	0.5
110.06040	0.7
110.97611	0.5
111.09210	1.1
112.07606	0.8
115.08674	0.4
116.98634	0.9
119.01939	0.6
127.08657	0.6
128.07014	0.4
128.98718	0.4
129.10239	100.0
130.08649	2.3
130.09576	0.4
130.10602	2.0
132.10214	0.9
133.06105	0.4
138.05527	0.8
139.08662	1.1
140.00194	0.4
140.03809	0.4
141.10234	1.2
143.11798	2.5
144.10197	1.4
147.07613	0.4
147.11302	3.7
152.14384	0.5
156.06575	0.4
161.12851	1.1
162.03017	0.8
169.09785	0.8
171.11256	0.6
183.11330	0.4
183.14934	1.9
184.09679	0.5
186.12387	5.9
189.12390	0.4
197.16493	1.0
200.14012	0.6
201.12334	2.6
204.13487	1.4
206.07028	0.6
207.07326	0.6
211.14424	0.9
218.14983	6.6
221.01903	0.7
222.01988	0.7
224.08069	1.1
225.08417	0.6
225.15930	0.5
228.13538	0.8
228.17036	5.7
229.17395	0.4
231.10098	0.9
232.96463	0.5
242.18692	0.7
246.18169	1.2
248.08084	0.5
263.08984	0.6
279.08975	0.4
282.18115	1.0
299.17242	0.4
300.19302	1.1
317.06198	1.4
317.21933	19.2
318.09631	0.6
318.22217	0.8
335.10620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29270	0.8
55.05507	8.0
56.05029	1.6
57.03428	4.2
57.07065	2.8
58.06589	1.0
60.04230	1.1
60.04523	17.8
61.02930	1.7
65.03938	2.6
67.05500	10.1
69.07063	6.9
69.21130	7.0
70.06598	1.2
71.04990	2.4
71.08617	1.4
74.06075	1.1
77.03909	0.9
79.05486	9.6
81.07056	37.9
83.08616	6.7
85.06579	0.8
88.07629	3.3
91.05478	100.0
92.05808	3.4
93.07036	6.2
95.04951	1.9
95.08606	12.2
97.06496	1.8
97.10154	3.9
99.08118	4.5
103.05453	2.0
103.65417	0.8
105.06377	1.7
105.07027	20.3
107.04921	4.4
107.08607	5.1
109.10152	3.9
111.08090	1.2
115.05434	4.5
117.07012	91.8
118.07336	3.2
119.08586	6.5
121.06510	5.4
121.10121	3.3
123.11682	3.1
125.09647	1.6
128.06219	6.3
129.06992	30.3
131.07567	1.5
131.08559	26.3
133.10132	2.7
135.11674	4.8
137.13243	1.4
141.06955	2.0
143.08559	27.6
144.08862	1.0
145.06464	0.8
145.10088	5.1
147.08063	1.4
147.11707	1.0
149.13232	1.5
155.08531	1.5
157.10121	7.6
159.08022	2.1
159.11723	3.4
161.05948	3.3
161.09578	1.1
161.13283	1.2
169.10060	1.2
171.08058	0.8
171.11707	4.0
173.09564	1.3
179.08578	2.0
180.09271	1.1
185.09673	1.3
185.13257	23.7
186.13510	1.3
193.10316	1.3
197.09584	1.2
197.13303	1.1
203.10602	1.7
203.14336	4.6
205.10062	1.2
209.13069	1.4
211.11215	4.7
217.09886	1.3
219.11682	1.5
223.11263	0.9
225.12711	2.3
230.10597	1.1
231.11559	1.3
232.12418	1.3
233.13231	1.9
243.11674	1.4
244.12434	1.2
245.13234	1.4
247.14572	1.0
255.20879	0.9
258.13907	1.4
259.14792	1.7
261.16302	1.1
269.13437	1.9
270.27954	2.9
273.16379	1.0
273.22101	2.1
281.22586	3.5
282.27884	1.8
284.15686	1.3
289.19553	1.2
299.20029	27.6
299.23666	7.4
300.20486	1.6
300.28845	2.6
317.18552	10.5
317.22278	2.1
317.25076	1.7
317.32239	4.9
318.19360	1.9
318.30133	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28728	0.4
53.03941	1.0
53.98953	0.5
55.01880	1.3
55.05506	2.0
56.05037	1.2
57.03431	2.9
58.06600	4.7
60.04523	7.1
61.02928	1.5
65.03936	0.4
67.05506	4.5
69.03425	4.2
69.07069	4.7
69.28421	2.7
70.06595	5.1
71.04989	4.2
72.04532	0.5
72.08156	26.4
72.53394	0.4
73.02920	0.7
74.06074	0.9
75.57581	0.4
79.05499	3.3
81.03425	2.1
81.07055	8.5
82.06576	1.1
83.04996	0.8
83.07368	0.8
83.08619	0.8
84.04509	0.6
84.08152	3.6
85.02903	8.0
85.08474	0.5
85.08932	1.0
86.09705	25.6
87.04483	0.6
87.05595	3.5
87.10059	0.8
91.03943	0.4
91.05500	2.4
93.07050	3.5
95.04966	1.7
95.08604	11.9
95.73083	0.4
96.04482	3.1
96.08137	3.1
97.02893	3.6
97.05276	2.6
97.06538	2.6
98.06054	0.5
98.09702	1.7
98.22652	0.8
99.04439	2.3
100.07627	1.7
102.09208	0.4
103.05453	0.5
104.28185	0.4
105.07030	1.2
107.08583	1.0
108.08128	1.2
108.56985	0.3
109.02898	1.1
109.06506	1.4
110.06040	6.7
110.07178	1.0
110.09666	5.0
111.08085	2.5
113.06005	1.6
113.09644	0.4
114.09164	2.5
117.07029	1.2
118.08654	1.2
119.08576	1.6
120.08119	1.9
121.06483	4.0
121.10181	1.0
123.04431	1.2
123.08062	1.0
124.11259	1.1
125.08386	0.8
126.09157	9.0
127.03909	1.0
127.08648	1.0
128.10710	2.6
128.37123	0.4
129.10243	1.1
130.10583	0.5
131.08533	0.7
132.04408	0.6
132.10184	0.8
133.10156	1.1
135.11723	0.5
135.96674	0.4
137.09608	0.5
138.05493	1.2
138.09138	19.7
139.07568	1.8
139.09616	0.4
141.05399	0.6
144.10190	1.2
145.04922	1.1
145.10132	0.7
149.09596	0.4
149.13280	0.7
155.08228	0.6
156.10197	100.0
157.10533	3.2
159.11295	8.5
168.10205	1.6
169.08571	0.6
173.12859	22.4
174.11255	7.3
174.12926	0.5
174.13341	0.5
177.12720	0.6
180.10207	1.0
187.10747	2.7
196.16841	0.7
198.11261	0.6
201.12358	5.2
205.11890	2.0
219.13780	0.9
222.11174	0.6
231.07619	0.7
237.14845	2.0
238.21655	3.7
240.19569	11.5
256.22696	6.3
258.20499	0.6
259.11896	0.5
277.12909	1.9
282.20590	1.6
300.18350	1.2
300.21661	22.9
301.11774	1.1
301.21912	1.2
302.12384	1.3
318.15057	1.6
318.19067	10.6
318.22665	60.8
319.15256	1.9
319.19177	0.7
319.22922	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	318.1812
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
51.09409	0.6
52.74015	0.6
69.07076	2.8
72.08151	1.6
74.02452	2.8
81.38711	0.6
84.08147	0.9
86.09708	100.0
87.10020	3.0
112.07653	0.9
113.10788	1.5
115.05484	1.9
117.05752	1.6
117.07040	1.3
118.06556	7.1
120.08104	1.5
130.06534	11.4
130.07475	1.0
130.08698	1.5
132.08090	23.6
133.08484	1.0
138.05473	1.0
141.10236	6.3
142.06505	3.7
143.07231	1.5
144.08092	21.9
146.06013	36.5
157.13298	1.3
159.09184	38.5
160.07593	2.1
160.09528	1.9
170.06046	10.5
187.08688	1.1
188.07072	74.8
189.07442	2.7
205.09729	48.4
206.10132	2.9
272.17709	1.6
273.16058	1.6
301.15475	15.7
302.15570	1.2
318.18118	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	318.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
57.05816	1.0
70.81351	0.4
71.15356	0.7
72.08157	48.9
73.08488	1.0
76.43515	0.4
77.67455	0.4
78.86185	0.4
83.60163	0.4
86.09686	1.1
88.03993	1.2
99.09209	1.7
115.05421	0.8
117.05745	1.1
118.06560	0.5
120.08112	0.8
127.08670	5.2
130.06506	2.2
132.08086	12.9
133.08401	0.5
138.05437	0.6
142.06523	2.4
143.07307	3.1
144.04411	2.0
144.08104	0.9
145.05225	1.9
158.09634	1.0
159.09178	13.6
160.07578	83.8
161.07922	2.8
165.74648	0.4
170.06013	8.2
187.08696	0.9
202.08629	100.0
203.08998	4.8
219.11287	68.4
220.11560	2.9
258.16055	2.0
301.15323	0.7
318.18109	6.7
319.18680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95428	2.2
55.01893	2.1
56.96584	2.6
58.06599	3.5
67.05513	3.7
69.07096	2.7
70.06597	7.9
70.72650	2.6
70.72993	5.0
71.89868	2.4
72.08170	15.2
74.06082	10.4
81.07049	3.9
82.06587	4.8
84.04514	11.0
85.02909	3.1
86.09712	27.6
94.06555	11.7
95.08630	3.9
95.56656	2.5
96.08146	9.8
98.97636	3.6
102.30955	2.6
105.07043	2.6
110.07150	4.1
112.07561	2.4
124.07585	10.9
132.10214	15.7
139.56322	2.5
140.41129	2.4
141.06624	4.5
142.08638	20.1
159.07672	9.5
160.09697	100.0
161.10092	3.1
194.18967	2.7
208.87476	2.8
222.04361	2.9
282.20816	3.7
300.21741	10.6
318.12946	5.7
318.19107	53.4
318.22794	55.3
319.23138	3.2
331.20731	2.7
338.33246	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	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05513	3.8
55.25117	0.5
56.05048	0.7
57.03436	1.3
57.05795	0.6
57.07083	0.5
58.06601	1.1
60.04523	19.7
67.05502	2.8
69.07067	3.4
69.79919	2.4
70.02950	1.1
70.06588	2.1
71.05006	1.3
71.07372	0.8
72.08155	100.0
73.08498	1.5
75.49795	0.5
79.05489	2.3
81.07048	2.6
83.04964	0.7
84.08163	1.3
85.06570	0.5
86.09707	28.7
87.05587	13.8
87.10042	1.0
91.05481	3.9
93.07050	1.7
94.06576	0.9
95.04942	0.6
95.08611	2.1
96.08138	1.5
97.06528	1.6
105.07044	0.9
107.08593	1.3
114.09168	16.7
117.06982	0.7
118.08649	0.9
119.08604	0.9
120.08114	0.7
124.11238	1.2
128.10751	2.5
132.10179	4.0
133.10106	3.5
137.66043	0.6
144.10185	0.7
156.10197	0.9
159.11284	75.0
160.11656	2.3
173.12854	22.6
187.10777	19.7
187.12466	1.1
187.14380	1.2
188.11267	0.7
201.12332	4.5
225.81157	0.6
231.17049	1.5
238.21696	0.9
240.19675	1.3
277.12781	0.7
282.20679	1.7
300.21701	12.5
301.11972	0.7
318.22742	45.7
319.23181	2.0
322.24728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71533	0.5
55.01879	1.1
55.05505	1.4
57.03439	1.5
57.05800	0.5
58.06603	1.4
60.04518	1.2
67.05503	3.8
69.07069	3.6
70.06596	2.0
70.07645	1.2
70.08039	0.9
71.04991	1.7
72.08157	100.0
73.06582	0.6
73.08498	1.1
79.05501	3.7
81.07066	4.9
83.04996	0.8
84.08142	1.3
86.09711	4.4
87.05594	0.9
87.51232	0.5
91.05483	7.1
93.07037	2.4
95.04979	0.7
95.08614	3.4
96.08168	0.9
97.06540	2.5
105.07051	2.1
107.08596	2.6
108.08154	0.5
110.09695	0.7
111.08120	0.8
114.09182	0.9
117.07001	0.8
118.08699	0.5
119.08618	1.2
121.10190	0.8
124.11237	2.0
125.05991	0.9
131.08553	1.0
133.10120	6.8
135.11682	1.2
143.07036	1.5
144.10187	0.9
145.10147	0.6
147.11758	0.5
151.11220	1.3
159.11288	5.1
161.09590	0.9
173.12883	2.7
175.59210	0.5
179.10741	0.7
187.10814	1.0
197.11919	0.5
201.12515	0.8
211.16165	0.5
220.20670	0.7
222.18558	0.8
236.48564	0.5
240.19572	1.1
256.22787	1.4
262.45059	1.0
282.20618	4.2
300.21689	24.5
301.21869	0.8
318.22745	89.2
319.23138	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	318.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.9
57.03424	1.0
58.06609	2.3
60.70813	0.4
67.00647	0.4
67.05501	4.8
69.07056	1.7
70.06586	3.9
70.54523	0.9
71.01341	0.4
71.04991	1.9
72.08157	11.3
79.05494	3.7
81.07056	7.6
82.06583	1.4
83.39682	0.4
84.08138	1.5
85.08925	0.8
86.09702	0.6
91.05480	2.7
93.07040	3.8
94.06560	1.0
95.04974	1.9
95.08599	6.8
96.08128	9.0
97.06551	1.1
97.08937	0.7
98.09700	1.9
104.03065	0.4
105.07042	2.0
107.08614	1.0
108.08121	0.6
109.06503	0.4
109.10164	0.6
110.09646	0.7
111.08096	0.7
113.05999	2.0
114.09165	9.1
117.07020	1.1
119.08583	1.8
121.10145	1.0
122.09689	0.7
123.04449	0.5
123.08066	0.6
131.08572	0.6
133.10129	0.8
135.08125	0.4
145.10124	0.6
147.11664	0.9
151.07597	0.4
159.06500	0.9
159.11703	0.5
206.09544	0.4
215.67979	0.4
219.13837	0.4
220.20625	5.3
222.18553	9.9
237.14830	1.5
238.21692	2.4
240.19586	4.4
245.32820	0.4
256.22751	1.0
258.20517	1.0
264.19611	1.1
282.20645	13.2
283.20917	0.9
300.21695	25.9
301.22079	1.2
318.22745	100.0
319.23114	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	318.2427
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
52.55319	0.4
53.03935	1.4
55.01878	1.1
55.05514	3.0
56.05018	1.1
57.03439	4.1
57.04859	0.4
57.07073	0.7
58.06600	8.6
65.03945	3.8
67.05504	6.4
69.03442	2.1
69.07056	1.7
69.36826	2.4
70.06593	4.1
71.04977	1.3
71.07362	1.3
72.08160	29.7
79.05491	7.7
81.03434	0.5
81.07056	11.4
82.06579	0.7
83.27777	0.5
84.08147	6.8
85.06534	1.0
85.08929	6.1
86.09697	2.6
91.05483	19.9
92.05818	0.6
93.02817	0.7
93.03410	11.3
93.07045	3.8
95.04964	1.9
95.08607	11.8
96.08115	1.0
97.06542	1.1
98.09697	7.0
99.10509	0.6
103.05441	1.2
105.07038	5.8
107.04954	0.6
107.08571	1.5
109.10113	0.6
110.09698	0.6
112.11243	1.0
114.09200	0.6
115.05452	4.5
116.06244	3.3
117.07030	5.2
119.08594	3.4
120.08080	1.0
121.06509	1.8
121.10176	0.8
124.11243	1.7
126.12798	0.9
127.77258	0.5
128.06207	3.5
128.10719	0.4
129.07018	7.0
130.07840	0.6
131.07666	0.8
131.08562	6.3
133.10144	1.0
135.11658	0.5
138.05482	2.7
140.14377	0.5
141.07005	1.4
142.07751	1.7
143.08592	3.0
145.10126	1.3
146.09612	1.1
153.07031	0.7
155.08542	1.9
156.06622	0.7
156.09428	1.0
157.10132	1.5
159.08055	0.7
159.11702	0.6
161.09608	5.6
165.07037	0.5
167.08578	1.6
169.10107	1.1
171.08081	0.6
171.11644	2.7
181.10049	0.6
183.11661	0.7
185.13264	1.6
195.11722	0.6
196.16957	0.6
199.11267	0.5
228.23207	0.7
236.77454	0.5
272.04404	0.5
291.17014	0.9
300.23230	51.8
301.23676	3.5
318.24271	100.0
319.24673	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	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.05040	0.3
57.07077	9.1
58.06592	1.2
60.04518	0.4
60.45629	0.1
62.06076	0.2
65.35062	0.1
68.05029	0.3
69.07050	0.2
70.06592	19.0
71.06922	0.3
71.08633	3.8
71.29568	0.2
71.29972	0.2
72.08149	0.6
74.06084	0.3
79.05471	0.3
81.07030	0.3
84.08139	1.7
85.05274	0.2
85.10178	1.2
85.84888	0.1
86.06071	0.5
86.09701	0.9
88.07630	19.4
89.07962	0.2
91.05476	0.7
95.08593	0.3
96.08092	0.2
102.09161	1.1
103.50222	0.2
106.08669	2.7
112.07590	0.2
114.09169	6.8
118.08645	1.7
130.08638	0.7
132.10202	25.7
133.10521	0.7
138.05511	0.4
148.09650	0.2
150.11253	20.5
151.11574	0.4
174.45493	0.2
174.80026	0.2
201.98552	0.1
230.24744	0.1
232.30824	0.2
242.24768	1.4
256.26367	1.7
272.25781	0.3
274.27399	5.9
275.27765	0.3
298.85806	0.1
318.30032	100.0
319.30341	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	318.3005
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05515	1.3
56.05042	12.2
57.07081	8.8
58.06608	6.0
60.04533	13.4
61.84851	0.4
62.01626	0.4
65.85405	0.4
67.05508	0.4
68.05028	0.9
69.07076	1.0
69.37135	1.0
69.37537	1.2
70.06596	0.5
71.08635	4.5
74.06087	10.3
81.07033	0.5
83.08625	0.8
85.10174	2.0
86.06071	1.5
88.07639	45.0
95.08605	0.5
95.41366	0.4
102.09180	0.4
104.07185	0.9
108.08689	0.4
118.08669	7.1
122.08163	6.0
137.88174	0.4
140.24333	0.4
195.47316	0.4
218.05791	0.4
234.34409	0.4
244.72517	0.4
256.26401	1.6
270.27936	34.4
271.28214	1.8
282.27914	1.5
300.29001	4.0
318.30042	100.0
319.30386	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	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
56.05021	6.5
56.96554	11.1
58.06606	4.3
66.06165	3.6
67.05521	5.3
70.06596	22.8
71.28546	5.2
72.08159	30.6
73.08463	4.2
74.06073	9.1
79.05523	3.5
81.07044	5.9
83.06097	16.6
84.04488	6.5
84.08137	51.5
85.08461	11.2
86.09706	26.1
87.10026	7.1
93.04543	7.1
93.30322	4.0
95.08594	6.2
98.97553	5.2
101.00913	9.0
101.74784	3.4
102.05611	4.9
108.54013	3.7
110.07162	100.0
116.07090	8.4
119.01917	12.2
129.10225	31.5
130.10599	15.2
131.01929	8.0
132.08170	3.7
133.03442	7.5
138.06630	4.5
143.01923	6.6
144.10204	12.9
145.03464	6.7
149.02986	5.5
155.01961	4.3
155.05244	5.6
156.07666	14.8
161.02925	8.4
169.03392	3.7
173.02986	10.9
191.03949	4.7
199.04402	4.7
203.03999	3.9
217.02019	7.8
218.08655	4.5
221.04964	7.0
300.21619	6.0
301.12708	6.0
301.21909	6.8
318.22659	13.3
319.07550	15.7
319.10022	27.4
319.13742	8.2
319.16595	6.2
319.19705	5.8
319.22736	21.4
320.20755	5.5
320.24316	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	319.1542
Annotation	Zearalenone
Peak:m/z	Relative Intensity
50.38946	1.4
55.03288	1.5
56.96568	76.9
70.06586	2.9
70.86974	1.8
70.87287	1.8
71.95258	2.3
72.08150	3.3
72.96053	7.5
74.97608	1.6
83.06059	2.6
83.97630	4.2
84.08157	10.0
84.96032	4.7
86.09717	8.6
88.99146	1.8
98.97585	6.5
110.07162	20.1
116.98602	2.1
124.00752	2.4
126.02273	7.9
128.98605	3.8
129.10225	4.9
130.01807	2.8
140.03802	12.1
142.01689	1.4
142.05403	9.5
144.03313	2.6
156.07695	2.4
158.04906	12.9
160.06441	15.2
170.04895	7.5
171.03320	6.5
176.05942	3.6
178.07558	2.6
188.05995	12.5
189.04388	15.0
206.01666	1.6
206.07011	32.8
207.05428	7.2
215.55231	1.6
224.02663	5.5
224.08061	29.2
225.04373	1.7
234.04904	2.0
248.08133	3.9
278.09103	2.4
301.14288	17.5
301.17459	1.8
302.12784	2.3
319.15402	100.0
320.11774	2.4
320.15652	3.7
329.12192	3.2
337.11072	2.0
337.16425	12.5
338.12845	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	319.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
57.07075	2.8
67.05498	7.1
69.07056	4.5
69.33969	4.7
69.34386	7.4
73.23656	2.0
79.05491	10.0
80.08139	1.9
80.70827	1.9
81.07053	8.9
83.08624	2.5
88.07625	2.2
89.95861	1.9
91.05483	7.4
93.07047	13.7
93.99495	1.8
95.08601	5.6
98.98468	4.1
101.02473	1.7
105.07050	5.6
107.08609	13.4
109.10110	2.4
119.08559	4.6
121.10152	5.8
123.24792	2.0
135.11708	2.7
147.11685	2.4
149.13239	2.8
155.01135	2.9
165.12756	6.1
236.67796	2.1
319.22485	100.0
319.26260	10.7
319.30240	4.0
320.22800	4.0
320.25711	14.1
323.80594	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	320.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81536	0.4
56.05022	1.6
56.96554	0.8
57.03444	0.5
58.06602	1.0
60.75418	0.5
67.05502	1.3
69.03439	0.4
69.07072	0.9
69.16644	3.3
70.06593	51.2
71.04994	0.8
72.08156	15.1
73.08499	1.2
79.05504	1.4
81.07072	1.2
81.99270	0.4
84.08142	1.8
86.09705	6.3
87.10041	0.6
88.03986	0.8
91.05485	1.4
93.07034	1.4
94.06571	0.8
95.04936	0.5
95.08588	0.7
97.06479	0.7
103.05470	1.7
104.05312	1.1
105.07040	1.3
110.06037	1.0
110.07176	1.5
115.05424	0.7
116.07090	5.0
116.68919	0.4
116.69752	0.4
116.98674	0.6
117.03438	0.8
117.07059	0.5
118.06558	1.5
119.08552	0.7
120.08106	22.8
121.08432	0.5
122.06055	0.5
123.06810	0.6
127.08667	0.7
130.05014	0.7
130.06529	2.2
132.08083	1.6
134.06006	0.8
135.11674	1.1
136.07607	0.6
138.05504	1.6
143.04506	0.6
143.07275	1.0
143.11861	1.0
144.08067	2.1
145.02856	1.8
146.06023	3.9
147.06764	1.1
148.03987	0.6
148.07529	0.6
150.05498	3.1
152.07069	0.7
156.08057	1.4
158.09760	0.8
159.09177	0.9
160.07632	2.5
161.08304	0.7
162.05484	0.7
164.07079	0.7
168.08167	0.6
170.06026	0.6
171.06712	0.6
172.07593	2.8
173.09238	29.1
174.09143	5.5
175.06264	0.9
176.07117	1.5
176.10687	0.6
177.05441	3.2
177.07793	2.1
184.07567	5.9
185.08345	0.8
186.09157	5.7
187.06303	0.6
187.09924	0.6
187.14523	0.6
188.07050	5.7
188.10721	1.3
192.06580	1.1
200.07050	2.9
201.07910	0.6
202.08618	13.4
203.09395	4.4
204.06555	1.3
204.10188	4.6
205.09761	1.3
206.08150	0.7
212.07040	5.1
213.07738	1.5
214.08614	4.4
216.06599	0.7
217.13362	3.9
220.05956	1.1
228.06543	1.6
229.07433	0.6
230.08122	26.7
231.08641	1.7
232.06082	5.1
232.09639	2.1
237.00627	0.8
240.06570	2.1
245.12802	2.3
246.07654	4.6
247.08386	1.6
248.09154	4.6
255.01724	2.6
256.06067	7.1
257.06470	0.6
258.07648	3.0
268.53888	0.5
273.02863	2.4
274.07138	11.9
275.07574	0.8
276.08673	14.0
278.13373	0.9
284.05557	10.5
284.22189	1.1
301.21939	1.4
302.06625	3.7
302.11996	1.3
302.23221	2.8
303.12796	1.0
319.22989	2.8
320.07645	100.0
320.24246	15.7
321.07941	5.6
321.19333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45168	0.9
50.74574	0.8
65.05958	0.8
67.05508	1.7
70.06596	100.0
71.06922	1.2
72.08157	15.1
77.82340	0.8
81.07045	1.9
86.09708	8.0
87.59612	0.8
91.05436	1.0
93.07037	1.3
98.38178	0.8
104.05298	1.3
113.32839	0.9
116.07110	4.7
119.08629	0.8
120.08115	10.9
127.08686	34.4
128.09129	1.1
143.11795	6.3
150.05838	3.0
155.08154	21.1
156.08383	0.8
158.05984	1.4
166.08681	1.2
173.09225	5.6
175.08694	2.5
212.88878	0.8
217.13416	0.9
221.09204	3.9
263.13928	5.1
302.23248	1.9
320.15717	3.3
320.19922	1.3
320.24249	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	320.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
55.05515	1.2
55.91397	0.2
56.05042	1.1
57.03444	1.5
57.05815	0.6
58.06603	1.9
64.18999	0.3
67.05505	6.4
67.37226	0.3
69.03437	0.7
69.07074	1.7
70.02951	0.8
70.06592	6.1
71.04654	0.2
71.05000	1.6
71.07378	1.1
71.20658	0.5
72.08156	74.6
73.08492	1.0
74.02419	0.4
77.36179	0.3
79.05493	4.3
79.63415	0.3
81.03424	0.3
81.07056	5.0
83.04977	1.3
83.08623	0.7
84.08149	1.2
85.06557	0.9
86.06087	0.4
86.09708	6.1
91.05471	2.5
93.07047	5.2
95.04937	0.6
95.08599	3.0
96.08135	0.5
97.06516	1.8
97.10152	0.3
98.09692	0.7
99.08110	0.5
100.07609	0.9
101.08409	0.7
102.09174	1.5
105.07044	1.0
107.08600	2.5
109.06525	1.2
109.10168	0.6
110.07166	0.4
110.09744	0.4
111.08060	0.6
116.07070	0.4
117.07104	0.6
119.08594	2.1
120.08118	1.7
121.10138	3.1
123.08086	0.9
130.06580	0.6
131.08617	0.5
132.08107	0.6
133.10156	1.1
135.08115	0.6
135.11696	5.1
137.09639	1.1
143.04485	0.5
145.10133	1.3
146.06070	1.7
147.11694	0.5
149.09654	0.5
159.09256	0.7
161.13280	0.3
163.11200	1.1
170.05954	0.3
173.09189	1.6
181.12260	0.9
185.13370	0.3
188.07004	2.3
202.08730	0.4
205.09750	0.8
224.20078	0.5
226.17931	0.3
230.08156	0.4
246.95009	0.3
260.95425	0.6
266.21008	1.4
267.58884	0.4
274.11899	0.7
278.13245	0.5
284.09702	0.3
284.22238	4.5
302.23257	15.1
303.23630	1.0
320.07666	1.4
320.24295	100.0
321.24661	6.2
327.05276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78960	0.4
55.05518	2.3
56.05022	1.1
57.03438	4.8
58.06599	5.2
59.04971	0.5
63.91430	0.4
67.05506	4.1
69.07067	2.1
70.06602	2.4
70.54311	1.0
70.54662	0.4
71.04987	0.8
71.07371	0.8
72.08156	22.3
72.83446	0.4
78.62215	0.5
79.05495	5.3
81.07056	6.4
81.87524	0.4
83.04958	0.9
83.08595	0.9
84.08130	2.4
85.06483	0.7
85.08918	2.1
86.09705	1.5
90.77583	0.4
91.05504	3.3
91.05981	0.6
93.07053	5.1
95.04984	0.7
95.08055	0.5
95.08611	5.4
96.08128	0.7
97.06520	1.1
97.10169	0.6
98.09683	6.9
102.09167	0.7
105.07055	2.6
107.04961	0.7
107.08611	4.4
109.06510	0.6
109.10130	1.1
111.08066	0.7
112.11260	1.2
117.07011	0.4
119.08607	2.9
119.25915	0.5
121.10162	1.5
123.08080	1.2
125.06004	0.6
131.08560	1.3
133.10095	0.8
135.11659	0.9
143.08589	0.5
146.06013	1.6
147.11630	0.8
161.13231	2.4
165.96143	0.4
175.14758	0.8
214.39932	0.5
222.22174	1.5
224.20068	7.1
235.15625	0.5
240.23242	4.0
241.23557	0.5
242.21143	9.6
243.21420	0.7
251.91949	0.5
258.24365	0.6
260.22226	0.9
284.22174	8.5
302.23239	27.2
303.23541	1.7
320.24310	100.0
321.24643	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01869	1.0
55.05513	7.3
56.05037	5.6
57.03436	1.5
57.07066	0.9
58.06587	3.4
60.04525	0.7
61.01141	3.1
64.27288	0.7
65.03940	0.9
66.64030	0.8
67.05502	22.6
68.05009	1.0
68.08867	0.7
69.03448	1.2
69.07068	6.6
69.97957	2.7
70.06590	32.9
70.10374	0.7
71.04998	8.0
72.08145	3.9
79.05495	11.8
81.07056	26.2
83.04987	2.3
83.08617	4.3
84.04499	1.1
84.08130	1.7
85.06525	1.9
86.09716	6.3
91.05473	8.2
93.07035	18.0
95.04944	0.8
95.08606	23.4
96.08131	1.4
96.08917	0.9
97.06525	4.4
97.10137	1.3
97.79037	0.8
99.04467	3.7
101.06036	0.9
104.05346	4.0
105.07014	6.8
107.04927	1.3
107.08588	10.1
109.06497	1.6
109.10148	7.4
110.07169	1.5
111.08089	1.7
113.06009	2.0
113.07114	5.3
116.07086	26.4
117.07006	0.9
119.08594	7.1
120.08102	23.9
121.08457	1.5
121.10139	9.6
123.08028	1.3
123.11713	4.3
125.05982	1.5
127.08701	1.0
130.06503	1.3
131.08517	2.0
132.10249	1.2
133.10106	6.1
135.08058	1.6
135.11679	5.1
136.07562	1.2
137.09552	0.8
137.13219	1.4
143.08546	1.1
143.11794	0.8
145.02789	1.5
145.10109	1.6
147.11690	4.9
149.06012	0.9
149.09584	2.7
149.13258	2.5
151.11162	1.4
153.09048	1.3
157.10068	1.3
159.11699	0.9
161.07422	2.4
161.09583	1.0
161.13284	1.1
164.07030	1.9
167.10773	0.9
168.17513	1.8
171.11601	1.3
175.08609	1.0
176.08867	0.8
177.05460	2.1
177.10226	7.4
182.08159	0.9
182.15375	3.3
184.16980	1.0
189.06871	1.6
189.12364	1.6
189.16458	2.0
191.80130	0.7
193.12248	1.0
203.17937	2.3
205.09781	1.0
207.13719	1.1
213.16438	2.5
220.20563	2.9
221.09209	1.7
221.18916	1.5
222.22168	12.0
224.20078	4.0
230.08243	1.3
231.17458	2.9
238.21581	2.5
239.20036	1.6
248.20070	2.8
249.18414	5.6
266.21146	22.6
267.19434	1.6
267.21838	0.9
284.22168	28.8
285.22577	1.3
290.10168	1.4
302.23233	55.7
303.23550	2.9
320.07388	3.4
320.24292	100.0
321.07632	2.2
321.15698	1.4
321.24536	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	320.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62766	2.1
55.05516	3.0
56.05029	4.1
57.07070	4.0
58.06596	8.2
62.06080	9.7
67.05503	13.2
68.05021	2.4
69.07058	7.3
71.05035	2.4
71.30006	2.4
72.08142	6.8
74.06101	3.1
79.05497	14.4
81.07056	14.5
83.08635	2.2
84.08140	2.5
85.06570	2.6
86.08213	2.2
88.07616	10.5
91.05471	22.0
92.34251	2.2
93.07051	15.1
94.06555	5.3
95.04961	3.1
95.08601	14.2
96.08126	40.6
96.08747	2.1
97.06559	2.9
97.10172	2.0
105.07053	8.0
107.08591	10.9
109.06459	2.6
109.10146	5.1
114.09165	100.0
119.08589	6.1
119.36284	2.0
121.10156	6.5
131.08563	3.9
132.10237	2.9
133.10110	4.7
135.11661	2.5
137.74605	2.0
143.08548	2.5
145.10086	2.7
147.11690	3.8
149.13243	2.5
157.10072	3.4
171.11841	2.1
175.11157	2.4
228.23227	11.9
272.25854	5.5
302.24799	18.5
320.25211	44.0
320.28738	6.5
341.51883	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	320.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68481	0.2
53.03941	0.3
55.05499	0.7
56.05029	0.2
63.31433	0.2
67.05524	0.3
68.05023	0.7
69.07079	0.4
69.45375	1.1
70.06597	0.3
79.05494	4.1
81.05801	1.8
83.26542	0.2
84.70387	0.2
94.06557	2.2
96.08131	38.9
97.06522	0.6
97.08470	0.9
103.30180	0.2
114.09167	100.0
115.09506	2.4
162.76976	0.2
184.68597	0.2
209.81012	0.3
211.63843	0.3
267.50079	0.2
302.24805	0.5
310.93604	0.2
320.25830	17.0
321.25974	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	320.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.43177	0.6
55.01879	1.2
55.05505	2.3
56.05041	7.9
57.03442	5.0
58.06602	19.1
62.00510	0.6
65.03938	2.1
66.79674	0.6
67.05506	7.8
69.03413	0.8
69.07076	3.4
70.06587	2.6
71.04993	1.0
71.07380	0.8
71.30051	0.8
72.08155	15.9
79.05496	11.6
81.07059	23.5
82.06580	1.0
83.04993	4.3
83.08614	0.8
84.08153	5.9
85.06554	0.7
85.08934	2.4
85.28316	0.7
86.09715	0.7
88.06569	0.7
91.05481	71.4
92.05814	1.7
93.07054	5.3
95.04987	4.9
95.08602	7.9
96.08126	1.8
97.06525	4.8
97.72611	0.7
98.09711	3.7
103.05451	0.9
105.07039	7.3
107.04958	2.8
107.08593	2.7
109.10156	0.9
110.09687	2.4
114.09205	0.9
115.05437	1.3
117.07027	5.3
119.08566	1.7
121.06516	1.8
121.10175	1.0
123.08030	0.8
123.11694	0.7
124.11253	1.0
124.17284	0.7
126.12759	0.8
128.06230	1.4
129.07024	7.5
131.08565	7.4
133.10127	1.7
135.11693	0.8
143.08511	0.9
145.10104	2.4
151.07510	1.3
157.10139	15.2
158.10481	0.9
163.11192	1.0
169.10069	0.9
173.13260	0.8
175.11206	10.1
183.11685	0.9
202.27202	0.8
207.13815	1.3
244.43193	0.7
260.09467	0.8
271.20575	8.5
284.23834	3.8
302.24777	78.9
303.25107	7.9
320.25836	100.0
321.12729	0.8
321.16605	1.8
321.20499	1.4
321.26172	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	320.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36540	0.5
52.28267	0.5
53.43818	0.4
55.05516	6.7
57.03461	0.8
57.07109	1.0
58.06603	4.3
65.03983	0.7
69.07069	7.6
69.21915	2.7
69.22317	1.2
70.06643	1.0
71.08681	0.6
81.07088	1.2
83.08622	2.9
91.05481	43.1
92.05856	0.9
92.99146	0.5
95.08666	1.0
96.68369	0.5
97.10162	4.0
99.35389	0.5
105.07031	5.3
111.11771	1.5
117.07013	3.7
119.08637	1.0
129.24028	0.5
131.08569	5.8
133.10191	0.8
145.10150	0.6
165.36263	0.5
302.28418	100.0
303.29001	7.4
320.29459	30.3
321.29871	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	320.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.5
57.03434	0.4
57.07076	0.6
58.06601	4.3
61.91659	0.5
65.03914	0.7
66.64484	0.4
67.05497	0.8
69.06739	0.8
69.07067	8.8
69.49187	2.9
81.07041	0.9
83.08620	4.4
91.05477	39.6
92.05785	0.7
95.08624	0.7
97.10172	2.9
98.05012	0.4
98.23246	0.8
105.07018	4.9
109.10133	0.8
111.11738	0.9
117.07031	4.2
119.08572	1.2
125.13209	0.5
131.08525	5.1
145.10066	1.0
159.11664	0.6
178.14934	0.5
302.28409	100.0
303.28836	9.9
320.29459	28.5
321.29803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.83567	0.3
55.01860	0.3
55.05283	0.3
55.05516	2.5
56.05041	2.6
57.03421	1.0
57.07079	1.7
58.06606	5.2
58.07397	0.6
62.06099	0.5
65.03925	0.7
67.05506	11.6
69.07064	2.2
70.06597	6.6
71.06901	1.4
71.07345	0.8
71.08607	0.7
72.08149	2.2
72.08949	0.3
73.36337	0.3
79.05500	5.3
79.44131	0.3
80.94807	0.4
81.07063	6.3
82.06569	0.6
82.07363	0.4
83.08610	0.3
84.08144	10.7
88.07178	0.4
88.07633	5.5
89.07955	1.9
91.05473	3.5
92.05800	0.5
93.07043	5.3
95.04945	0.7
95.08608	5.0
96.08136	3.1
96.08736	0.5
96.08855	0.4
97.06507	0.3
97.08868	0.9
97.10174	0.3
98.09672	0.8
102.09190	2.2
103.09492	1.3
105.07028	2.0
107.08617	2.6
109.06465	0.6
109.10159	2.0
110.09682	2.2
111.10437	0.3
112.11201	1.0
114.09169	3.2
119.08533	0.9
121.10143	1.4
124.11207	0.5
128.10670	0.6
131.08565	0.4
133.10101	1.2
135.11725	0.5
147.11661	0.5
165.12782	1.7
194.18990	0.5
205.91290	0.3
225.02972	0.3
252.18895	0.3
255.81569	0.3
256.26404	2.0
257.26721	1.6
258.26984	8.4
276.82663	0.3
289.21570	0.6
302.28384	20.7
303.28659	1.0
320.29517	100.0
321.29828	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	320.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.83567	0.3
55.01860	0.3
55.05283	0.3
55.05516	2.5
56.05041	2.6
57.03421	1.0
57.07079	1.7
58.06606	5.2
58.07397	0.6
62.06099	0.5
65.03925	0.7
67.05506	11.6
69.07064	2.2
70.06597	6.6
71.06901	1.4
71.07345	0.8
71.08607	0.7
72.08149	2.2
72.08949	0.3
73.36337	0.3
79.05500	5.3
79.44131	0.3
80.94807	0.4
81.07063	6.3
82.06569	0.6
82.07363	0.4
83.08610	0.3
84.08144	10.7
88.07178	0.4
88.07633	5.5
89.07955	1.9
91.05473	3.5
92.05800	0.5
93.07043	5.3
95.04945	0.7
95.08608	5.0
96.08136	3.1
96.08736	0.5
96.08855	0.4
97.06507	0.3
97.08868	0.9
97.10174	0.3
98.09672	0.8
102.09190	2.2
103.09492	1.3
105.07028	2.0
107.08617	2.6
109.06465	0.6
109.10159	2.0
110.09682	2.2
111.10437	0.3
112.11201	1.0
114.09169	3.2
119.08533	0.9
121.10143	1.4
124.11207	0.5
128.10670	0.6
131.08565	0.4
133.10101	1.2
135.11725	0.5
147.11661	0.5
165.12782	1.7
194.18990	0.5
205.91290	0.3
225.02972	0.3
252.18895	0.3
255.81569	0.3
256.26404	2.0
257.26721	1.6
258.26984	8.4
276.82663	0.3
289.21570	0.6
302.28384	20.7
303.28659	1.0
320.29517	100.0
321.29828	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43426	0.5
56.96536	0.6
58.06590	0.6
58.99844	0.6
64.57698	0.4
67.05450	0.6
69.07066	0.5
69.99158	1.2
69.99506	0.6
70.06562	0.9
70.99827	0.5
72.08159	2.1
79.33796	0.4
81.03393	0.4
82.99842	1.3
84.08091	0.8
88.73505	0.5
93.07034	0.5
94.71164	0.5
94.99812	0.7
101.00290	0.5
101.00890	7.9
107.08532	0.5
108.08053	0.4
108.87860	0.4
110.95160	0.4
113.00851	5.9
115.02445	0.5
118.26939	0.7
119.01138	0.8
119.01917	10.4
119.92485	1.2
120.01986	0.6
127.15022	0.4
131.01904	17.3
132.02074	0.5
133.03450	0.8
136.07474	0.9
137.03009	0.6
143.01884	3.0
145.03436	1.4
149.02914	2.5
155.01891	13.6
157.03452	0.6
159.01389	1.0
161.02943	3.4
167.01971	0.8
173.02960	30.7
174.03131	1.5
175.04565	3.0
177.01154	0.5
177.02452	3.9
183.01387	2.0
185.02979	7.0
187.00845	0.6
189.02397	0.5
191.04060	0.5
195.01309	0.5
201.02440	57.4
202.02599	3.0
203.03952	3.2
203.05527	0.4
213.02446	16.3
214.02657	1.1
215.00359	0.9
219.03502	100.0
220.03680	6.2
220.38420	0.5
221.05020	1.8
224.20061	0.5
231.03505	14.2
232.03519	0.8
233.05013	0.5
237.04578	3.3
239.06099	1.3
242.05121	1.2
243.03453	0.5
248.99176	0.5
249.04570	8.9
250.04764	0.8
253.39935	0.5
256.97485	0.6
261.04507	2.8
272.05954	0.5
278.26010	0.4
279.05594	0.9
284.18948	0.5
284.22046	0.7
302.23248	1.5
303.05804	0.5
320.20758	0.9
320.24246	6.4
321.06622	6.2
321.10556	0.8
321.21265	0.8
321.24637	2.4
322.06689	0.5
339.07785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.97928	4.6
68.44065	4.8
69.34453	25.2
72.85607	4.9
80.21899	5.9
80.56844	5.0
86.30970	5.3
88.76524	4.5
94.57238	5.6
110.60429	5.2
133.04507	5.9
133.20013	5.9
142.64815	5.3
155.02003	7.2
190.01245	8.6
210.73979	5.4
219.03621	6.5
281.90665	6.1
321.09042	100.0
322.05566	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77318	3.3
56.96574	18.7
61.51890	3.2
62.00827	3.1
69.96209	9.5
69.96600	5.7
70.06583	9.1
72.96080	3.4
77.64065	2.9
82.99854	4.0
84.08116	3.6
86.09742	3.2
98.97579	14.0
101.00893	27.0
103.02418	3.9
113.00870	7.9
115.02442	10.8
116.07104	4.3
116.98634	4.7
117.03961	5.0
119.01915	37.9
120.08094	13.1
121.69525	2.9
127.02494	3.1
131.01927	15.4
133.03482	18.9
135.05037	7.0
140.17334	3.1
143.01907	12.9
145.03470	9.0
155.01900	10.6
157.03508	5.2
159.05055	14.9
161.02953	10.0
163.04614	4.6
164.21730	3.1
167.54593	2.8
168.99847	5.1
171.05040	15.2
173.02946	13.1
175.04549	24.1
175.11804	3.1
177.06128	5.9
181.88586	2.9
187.00890	14.1
187.04439	5.7
189.02466	7.5
189.06084	7.6
191.04022	5.2
196.99327	3.6
201.06097	7.0
203.04005	8.8
208.01274	4.3
215.00372	12.3
219.03584	4.4
221.05080	18.4
226.02406	4.4
229.02002	8.2
233.05080	8.5
236.99586	3.5
247.03021	22.9
261.08212	33.5
265.04034	4.3
265.08539	3.5
279.09290	42.1
280.09723	3.6
321.09476	100.0
322.10117	4.1
322.18634	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	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84598	0.7
67.05488	1.5
69.07061	1.0
69.54758	3.2
70.06590	2.6
73.07421	0.7
79.05510	1.4
81.03416	1.1
81.07063	1.6
86.09703	94.2
87.10056	2.0
91.05486	1.3
93.07033	1.8
95.08633	1.4
98.23307	1.4
103.05470	4.8
105.07043	0.9
107.04960	1.6
107.08592	0.9
109.10157	1.9
116.07106	1.1
119.08599	0.8
120.08104	100.0
121.08411	3.5
124.13636	0.7
128.10715	50.1
129.11050	1.0
131.04907	2.5
135.11694	0.8
145.02823	1.3
149.06015	1.8
156.10210	11.8
158.34161	0.7
159.11719	0.7
166.08638	50.0
167.08900	1.5
175.11911	1.4
177.05424	1.3
213.45465	0.6
282.43640	0.7
321.12900	0.8
322.18640	3.1
322.25998	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	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87525	0.1
61.48579	0.1
65.52943	0.1
66.54970	0.1
69.32058	0.7
69.32479	0.2
98.97565	0.5
101.00871	0.4
104.95628	0.1
116.98630	0.2
118.03403	0.2
119.01918	1.0
122.97814	0.3
123.98643	0.2
129.01254	0.1
134.99660	0.2
137.02959	0.2
140.98824	0.4
158.99866	1.6
176.87454	0.1
177.00951	13.9
178.01060	1.4
178.24040	0.1
182.99808	2.0
183.01349	0.1
184.00043	0.2
195.02039	0.3
200.02562	0.3
201.00928	6.5
202.01019	0.7
202.93552	0.3
212.71735	0.1
214.95515	0.7
216.98827	0.1
218.03575	2.2
219.02000	100.0
220.02121	9.9
220.04413	0.3
220.94496	0.2
221.02365	0.6
224.02426	0.2
232.96663	0.3
236.99574	0.2
237.03043	0.3
237.97127	0.3
238.95500	2.1
239.95845	0.2
242.03601	4.6
243.03741	0.4
255.98146	0.3
256.96625	8.0
257.96777	0.9
259.00000	0.3
260.00198	0.2
260.04666	2.0
260.99893	0.2
261.03058	1.0
262.95508	0.3
274.94608	0.2
274.97656	2.0
275.97757	0.2
277.00909	0.4
278.01035	0.2
279.98273	1.4
280.96393	1.1
281.96649	0.2
282.99686	0.2
297.99283	1.6
298.97668	33.0
299.97766	3.4
300.98074	0.2
301.01126	0.4
316.00391	0.2
316.98825	0.4
321.99274	3.3
322.99390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05031	2.5
56.96541	1.0
57.43883	0.9
58.06593	3.6
60.04504	1.7
60.05655	11.4
70.06594	61.7
70.76685	2.5
71.04991	1.0
71.06921	1.0
72.08160	16.3
73.67477	0.9
74.06072	1.1
84.04503	2.1
84.08144	10.1
86.09693	8.2
87.07947	1.0
91.05475	1.9
93.07023	1.3
95.06104	1.3
97.07665	1.2
98.06039	1.6
98.97577	1.5
103.05447	2.4
108.91078	0.8
110.07161	2.6
110.48978	1.1
112.08737	7.2
112.11247	1.5
113.07141	0.9
114.10326	1.4
115.08714	4.4
116.03411	1.0
116.07103	7.4
117.03383	4.0
119.08503	0.9
120.04492	1.2
120.08106	44.6
123.05569	3.6
126.10336	0.9
129.10239	3.8
129.13885	1.5
130.09750	3.2
140.08192	2.0
143.06993	1.2
144.04866	1.1
145.02834	14.1
146.16528	1.5
149.05946	1.6
149.22812	0.9
150.83992	0.9
157.10800	2.5
158.09265	5.9
160.03694	37.8
160.13371	1.8
173.12843	1.5
175.11905	17.8
175.13362	1.5
177.05467	19.4
180.07686	1.3
185.04213	44.8
186.04518	1.1
190.09746	5.0
198.12502	1.1
199.98381	0.9
207.11237	0.9
219.11580	1.3
231.13252	1.0
234.11208	6.0
245.00053	0.9
251.14001	1.7
258.15619	3.0
263.14020	1.8
265.18167	1.4
287.15009	1.6
304.17776	1.8
304.21057	1.6
305.15668	5.5
305.18750	3.0
322.08975	100.0
322.18723	42.9
322.21817	10.7
323.09338	4.2
323.18991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16199	0.8
55.05510	7.6
60.05633	3.1
61.20441	0.8
62.42894	0.9
65.03936	1.1
69.34389	5.7
70.06597	10.5
72.08154	89.3
74.54047	0.8
79.05464	1.9
81.03412	1.2
81.07058	0.9
81.69935	0.9
84.08157	5.2
86.09705	2.7
91.05469	1.6
103.05475	4.3
107.04943	2.8
108.05306	1.5
109.02848	1.8
110.07177	1.2
112.08724	1.3
116.07092	1.6
118.04197	1.7
119.04923	2.1
120.08100	100.0
121.02858	3.9
121.08441	3.6
129.10236	90.9
130.10600	1.6
130.22699	0.9
131.04948	1.3
135.04358	1.2
144.28120	1.0
145.02856	1.4
147.04434	1.4
149.05919	1.6
157.09746	16.7
158.09206	1.6
166.08630	24.5
167.08913	1.3
175.03876	1.1
175.11891	4.7
176.04230	1.3
177.01897	2.1
177.05431	2.6
177.10184	7.8
189.01956	1.4
190.09573	1.0
191.11772	4.4
195.02879	1.6
201.12221	1.3
203.03413	6.9
204.03772	5.7
205.01344	1.5
205.04941	3.0
205.09816	1.7
221.04399	1.0
222.04776	1.3
293.08057	3.7
295.06073	5.4
295.09045	1.5
307.05887	1.7
321.07339	2.2
322.04636	1.6
322.08023	38.4
322.18613	8.1
323.05426	3.9
323.09024	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	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.0
55.38225	0.4
56.05042	1.4
57.05806	1.7
60.05644	2.0
63.76955	0.5
63.77370	0.6
69.70942	2.4
69.95935	0.5
70.06200	0.8
70.06589	11.9
72.08153	100.0
73.08485	1.4
79.38409	0.5
84.04462	0.5
84.08143	1.8
86.09702	2.3
91.05463	0.8
93.07036	0.6
95.06090	1.2
98.22717	0.6
103.05456	1.9
107.04948	0.6
110.07148	1.3
112.08710	1.5
113.07117	1.9
115.08697	1.0
116.07090	1.6
120.08101	61.5
121.08421	2.0
121.11153	0.4
125.09573	0.6
129.10226	5.2
129.56306	0.4
131.04924	1.2
136.07574	0.7
136.08681	0.5
145.02849	2.3
149.05928	1.1
152.06903	0.5
156.07768	0.6
157.09724	10.9
157.11018	0.6
158.09187	0.9
166.08630	29.4
167.08969	0.9
175.11945	3.7
175.13263	0.8
177.05449	3.4
177.10219	6.5
187.07494	1.3
190.09753	0.7
205.09756	0.7
223.10764	19.4
224.11020	1.1
233.47083	0.5
234.11179	1.2
258.15717	0.6
263.13660	0.8
277.06900	0.6
277.15646	0.6
295.17584	0.9
305.15762	0.7
322.08093	1.4
322.18683	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	322.1872
Annotation	Phe-arg
Peak:m/z	Relative Intensity
55.01872	0.7
55.05498	0.9
56.05040	1.7
56.96572	2.0
58.06591	0.9
60.04533	0.6
60.05651	21.5
64.30583	0.6
67.05505	0.7
68.05021	1.0
69.03413	0.6
69.07080	0.9
70.06594	100.0
71.04999	1.5
71.06928	1.9
71.27964	0.6
71.28339	0.7
72.08162	8.0
74.06080	2.4
78.10957	0.5
78.54524	0.5
80.05023	2.1
81.07056	0.5
82.06570	0.8
84.04524	1.7
84.08146	9.0
84.76836	0.5
85.07684	0.8
86.09698	4.1
87.07984	1.0
88.07627	0.7
91.05457	3.4
93.07058	1.1
95.06076	0.9
97.07658	1.8
98.06064	2.8
98.97573	1.5
100.08697	0.7
103.05478	2.7
110.07184	2.0
112.08734	13.0
113.07143	1.4
114.10320	1.3
115.08704	5.0
116.07098	11.4
120.08109	55.1
121.08476	1.0
122.07150	1.1
123.05556	30.9
129.10240	1.5
130.05043	0.9
130.06548	1.1
130.08833	0.9
130.09770	3.9
135.05486	3.1
136.07573	2.1
138.05510	1.0
140.08250	2.6
141.06664	0.8
144.04738	1.2
145.02882	0.7
151.05057	1.7
157.10884	3.2
158.09245	8.3
159.07741	0.8
166.08649	1.5
173.12875	0.9
175.11914	31.9
175.14325	1.2
177.05479	0.7
180.07675	11.6
180.09120	0.9
182.00877	0.7
190.09743	5.7
199.10756	0.8
200.01866	1.3
201.61745	0.6
207.99147	1.9
223.98546	0.7
231.13181	0.8
237.10530	0.7
242.12766	0.6
245.12926	0.8
246.02119	0.7
246.11320	1.0
250.00269	1.1
257.05347	0.6
258.15729	3.6
259.15826	0.9
262.15524	1.7
263.13916	2.5
287.14914	1.2
288.13422	0.9
304.17667	1.1
305.16080	10.9
306.16342	0.8
321.10162	0.6
322.18686	80.7
323.11786	8.3
323.15616	1.0
323.19080	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44815	2.9
55.05496	6.6
56.93247	2.4
62.06096	100.0
67.05515	20.3
69.07063	7.6
69.12851	20.1
79.05504	9.5
81.07051	18.0
88.81669	2.6
89.27800	2.8
89.51971	3.0
91.05492	3.5
93.07047	14.3
95.08614	14.9
98.23416	5.5
102.24002	2.7
105.07054	3.3
105.15960	3.1
107.08614	8.4
109.10151	7.3
121.10146	6.8
123.11724	2.8
125.27153	2.5
135.11736	6.2
159.11673	2.9
166.15797	2.5
206.76155	2.6
314.13840	2.9
322.27402	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00883	1.1
55.05510	5.7
56.05042	1.2
60.05636	4.5
66.02900	1.0
67.05509	13.7
68.05004	2.7
69.07061	5.1
69.52875	5.0
70.06592	28.5
72.08144	3.7
72.41412	1.2
74.06042	1.7
79.05486	12.9
81.05769	1.7
81.07051	8.9
82.06563	2.5
83.08600	1.4
84.05624	1.4
84.08132	2.3
86.09710	1.2
91.05482	8.2
93.07018	7.3
94.06595	2.7
95.04953	1.5
95.08601	4.4
96.08128	23.3
98.09685	4.1
105.07031	3.4
107.08588	2.9
107.37801	1.2
108.08095	2.3
109.10117	1.4
110.09727	1.7
112.08674	3.3
114.09162	27.0
115.08724	1.4
116.07097	3.1
117.07040	1.5
119.08599	2.7
120.08106	21.6
120.08943	2.2
121.10127	2.2
122.09663	3.0
123.11707	1.2
131.08559	2.3
133.10083	1.8
136.11169	1.4
138.09903	1.3
140.10664	1.6
154.12242	2.2
158.09244	1.7
159.11673	1.2
161.13321	1.5
164.14417	1.3
175.11902	7.9
177.05521	1.2
190.09709	2.6
231.94041	1.4
286.25226	5.7
304.26309	22.6
305.15970	2.1
307.25378	1.4
322.18765	21.1
322.27380	100.0
323.18356	6.8
323.27725	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02631	0.1
53.03938	0.3
55.05510	0.9
56.05015	0.3
58.06595	0.1
60.05632	0.2
61.65366	0.1
62.81092	0.1
67.05521	0.6
68.05034	0.8
69.07057	0.7
69.51066	0.3
69.51451	0.4
70.06590	1.0
71.04996	0.1
74.06099	0.2
79.05490	5.1
80.05013	0.4
81.05796	1.8
81.07046	0.5
83.04990	0.2
91.05482	0.3
93.07009	0.3
94.06563	2.3
95.04964	1.8
95.08607	0.4
96.08126	42.0
97.06538	0.6
97.08444	1.2
98.09695	0.2
98.22681	0.3
105.07030	0.2
107.08602	0.2
114.09163	100.0
115.08767	0.3
115.09505	2.5
120.08114	0.9
122.09689	0.3
138.09116	0.2
175.11882	0.3
210.95731	0.1
241.48178	0.1
286.25235	0.2
304.26385	1.0
312.62622	0.1
312.84769	0.1
322.19366	0.6
322.27377	17.5
323.27679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86666	6.8
69.37783	7.6
69.48649	7.1
69.69474	32.4
77.54878	7.2
94.93036	65.5
108.28786	7.6
112.89618	18.6
124.78135	7.0
144.66490	7.8
206.88629	15.0
248.89632	96.4
323.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69638	1.6
66.31583	1.4
67.05492	1.6
69.77962	7.1
75.25143	1.8
81.07066	2.4
82.68690	1.5
95.08617	3.2
95.95577	1.7
98.23399	1.7
119.08689	1.8
151.79727	1.6
209.49396	1.8
323.19559	100.0
324.19812	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	324.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93501	2.3
57.27131	2.3
59.54451	2.3
69.03427	11.2
70.06596	14.9
71.27920	4.3
72.08156	10.4
84.04509	6.2
84.08147	6.4
85.02438	2.5
85.02911	11.5
89.03876	4.3
94.93009	9.2
97.02906	8.6
109.02858	3.8
110.07170	19.3
117.03400	7.9
117.65048	2.5
119.01971	2.2
120.08145	3.4
123.04379	2.8
127.03949	9.4
135.04425	16.0
136.07614	4.9
145.02855	9.2
156.07692	12.3
163.03909	100.0
165.38928	2.7
192.07664	2.6
209.10281	3.8
266.48196	3.1
274.80304	2.5
298.90964	7.4
307.06912	5.0
324.05438	3.6
324.09491	71.2
324.13229	79.1
325.09741	8.1
325.14435	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	324.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01865	1.6
55.05239	1.0
55.05510	21.4
56.05035	22.1
57.03440	11.0
57.07066	2.5
58.06598	5.1
65.03935	3.3
67.05503	73.2
67.22129	0.8
68.05028	1.1
68.05800	1.5
69.05419	8.1
69.07066	12.8
70.06591	30.9
71.05028	0.8
72.04506	0.9
72.07754	1.9
72.08154	38.3
73.49835	0.8
74.06078	100.0
75.04473	1.7
75.06405	1.1
79.05491	38.0
81.05775	1.2
81.07056	52.5
82.06599	6.4
82.07363	1.1
83.04975	1.0
83.07362	1.5
83.08622	6.7
84.08156	4.1
85.06538	2.3
86.06009	0.8
91.04899	0.9
91.05474	21.6
93.07040	33.8
94.06567	3.7
95.04973	7.3
95.08605	33.3
96.08138	6.6
96.08737	1.0
96.08925	0.9
97.06527	3.5
97.08910	1.4
97.10173	2.2
98.09682	3.9
100.07642	1.8
105.04494	1.1
105.07028	15.0
107.08583	20.0
108.08134	1.7
109.06554	1.0
109.10151	15.2
110.09695	4.0
114.39392	0.7
117.07015	1.8
119.08569	9.7
120.08084	1.1
121.10155	9.9
121.41484	0.8
122.09639	1.2
123.11724	2.1
124.11253	4.2
127.98897	0.7
130.26118	0.8
131.08562	5.4
131.31023	0.8
133.10114	7.9
134.46416	0.9
135.08046	1.8
135.11665	6.0
136.11243	0.9
137.13245	1.6
142.07748	1.0
143.08560	1.5
145.10104	3.6
147.11685	3.6
149.12173	1.0
149.13171	4.2
157.10120	1.9
159.11722	3.1
161.13257	2.0
163.14861	1.2
167.08466	1.1
171.11688	1.1
173.13297	2.5
175.14799	1.2
180.17387	0.9
183.11655	1.0
187.14912	1.8
189.16360	1.7
193.10150	1.0
197.13249	1.4
199.14798	1.1
201.16385	1.0
204.17543	1.1
207.11620	1.0
208.12453	1.1
215.17761	0.9
221.13252	1.2
223.14871	1.3
225.12646	1.5
246.22151	0.9
251.14409	1.9
263.17673	1.1
269.95163	0.8
271.24051	1.1
288.26846	79.5
289.19739	0.8
289.27438	4.9
306.27884	97.1
307.20566	3.8
307.28195	7.5
324.28955	70.5
325.21640	5.1
325.29068	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	324.2897
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.03952	3.2
55.05513	13.3
56.05039	2.3
57.03428	3.1
57.07066	2.5
58.06603	21.9
59.05003	3.4
65.03953	2.8
65.90251	1.3
67.05510	68.5
68.05822	1.4
69.07076	7.3
69.51581	3.1
69.51993	4.8
70.06603	10.6
74.06080	7.2
79.05496	21.5
80.94852	3.4
81.07065	43.9
81.94849	1.5
82.06577	3.0
82.61662	1.4
83.08618	3.9
84.08128	3.3
91.05474	13.0
93.07044	20.2
95.05033	1.8
95.08611	34.8
96.08127	2.8
97.04926	1.7
97.06545	2.6
101.50090	1.4
105.07042	12.5
107.08582	10.2
109.10181	15.2
110.09661	1.9
119.08599	4.0
121.10174	7.0
123.11684	1.6
128.15515	1.4
131.08600	2.5
133.06442	2.9
133.10158	2.2
135.08080	10.7
135.11708	4.3
147.11726	2.8
149.13307	2.3
151.07596	1.5
152.49150	1.4
172.45105	1.3
175.14734	1.4
184.15312	1.5
198.40335	1.8
279.17673	3.1
288.26877	31.4
306.27853	20.6
307.28177	1.6
309.41373	1.4
324.28986	100.0
325.29187	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	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05523	5.3
57.07067	1.4
62.06095	100.0
63.06440	1.3
67.05506	20.3
67.05839	1.4
69.07075	4.7
69.67847	3.5
71.08637	1.3
79.05503	4.6
81.07063	17.9
81.07522	1.3
83.08624	2.7
85.06523	1.0
91.05467	4.3
92.23814	0.8
93.07040	4.4
95.08613	15.4
97.10185	1.4
103.79050	0.8
105.07050	2.6
107.08614	2.8
109.10168	6.1
116.63446	0.8
119.08617	2.2
121.10154	2.7
123.11697	1.6
133.10126	1.5
137.13289	1.0
147.11652	0.9
154.77019	0.8
161.13298	0.9
166.08313	0.8
191.89468	0.8
245.22797	1.3
263.23648	0.8
306.28027	2.7
307.26361	2.5
324.29007	12.7
324.32672	1.4
325.29065	1.0
328.54004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05035	0.8
57.03443	0.5
57.05824	0.4
58.06612	0.6
64.58009	0.3
67.05515	3.3
69.07085	0.9
69.53027	1.0
69.53436	0.5
70.06603	2.0
72.08163	100.0
73.08494	0.9
79.05505	1.7
80.94872	0.8
81.07069	2.6
83.08628	1.0
84.08144	0.9
85.06522	0.3
91.05462	0.4
93.07061	1.2
95.05048	0.3
95.08609	1.8
96.08171	0.6
97.06538	0.6
97.10181	0.4
100.07624	0.3
105.07045	1.1
107.08614	0.9
108.08150	0.4
109.08874	0.3
109.10143	0.5
110.09648	0.3
119.08575	0.3
121.10159	0.5
122.09693	0.3
124.11248	2.4
133.06557	0.6
135.08069	1.9
149.13261	0.5
151.07510	0.3
279.17789	0.5
288.26825	0.9
306.27948	2.3
324.29001	35.7
325.29318	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.53464	0.3
53.03936	0.5
61.02927	0.7
63.02346	0.4
69.03429	9.5
69.92286	1.2
70.06584	1.2
79.05489	1.2
81.03413	0.8
84.24525	0.3
85.02905	0.9
86.09718	0.5
89.03911	6.4
90.04246	0.4
95.04977	0.5
97.02871	1.5
107.04957	2.3
109.02863	0.6
117.03374	9.1
118.03724	0.4
119.84898	0.3
122.64369	0.4
123.04420	0.6
127.03906	4.8
135.04417	19.5
136.04715	0.8
136.46152	0.3
139.03958	0.3
145.02855	12.8
145.03897	0.5
146.03178	0.5
147.04463	0.4
163.03900	100.0
164.04247	3.3
168.25777	0.3
175.03893	0.3
181.04951	1.1
233.05914	0.3
251.07172	0.3
259.06052	0.4
279.06616	0.5
307.08102	0.9
325.09308	0.9
325.14877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.94265	0.2
53.03954	0.3
61.02921	0.4
69.03431	7.6
70.06587	1.1
79.05491	0.9
85.02894	0.8
89.03909	5.5
97.02904	0.6
98.22640	0.2
99.04454	0.4
107.04971	2.2
109.02863	0.5
117.03375	8.0
120.08114	0.4
121.08428	0.4
123.04401	0.5
125.25288	0.3
127.03915	4.1
135.04417	16.3
136.07593	0.7
145.02840	12.4
163.03897	100.0
164.04236	3.2
181.04930	0.9
213.12224	0.4
251.06911	0.4
269.08011	0.4
279.06461	0.7
297.07614	0.4
307.08218	0.6
325.06433	0.6
325.09628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01878	0.3
55.05499	0.1
57.03427	0.5
57.96493	0.2
61.02915	0.5
63.02377	0.2
65.96055	0.2
67.05515	0.3
69.03432	11.2
69.10131	0.2
69.57603	0.6
70.06590	0.7
71.04984	0.5
72.08153	0.4
73.72393	0.2
79.05502	1.2
80.00320	0.2
81.03413	2.2
81.07040	0.3
84.08147	0.3
85.02911	1.2
86.09696	0.4
89.03915	5.7
90.04185	0.2
91.05500	0.4
95.04986	0.4
97.02884	1.3
97.06498	0.2
99.04454	0.6
105.04532	0.2
107.04957	2.3
109.02876	1.0
109.06508	0.2
110.07181	0.3
117.03380	9.4
118.03718	0.4
118.06544	0.2
121.02842	0.4
121.10101	0.2
123.04405	0.3
127.03915	5.0
131.04976	0.2
135.04416	17.5
136.04742	0.6
141.77385	0.2
145.02846	12.5
145.07675	0.3
146.03128	0.4
147.09180	0.4
159.04489	0.2
163.03902	100.0
164.04225	3.5
173.05894	0.4
173.07214	0.4
181.04919	0.8
191.08182	3.1
192.08568	0.2
201.05409	0.3
205.06456	0.2
207.02847	0.3
233.05852	0.2
262.93045	0.2
297.07715	0.3
297.10843	0.2
307.08099	2.0
307.12891	0.7
325.06635	1.7
325.14026	0.5
326.07303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02358	0.3
52.22646	0.2
53.03947	2.3
55.01863	0.7
57.03439	1.4
61.02936	0.3
63.02384	0.6
69.03430	6.2
69.12103	0.7
69.12527	0.7
70.06590	0.5
70.66910	0.2
71.04980	0.9
72.08147	0.5
73.02922	0.4
79.05494	1.5
81.03419	20.0
84.08141	0.3
85.02429	0.4
85.02908	5.7
86.09747	0.2
89.03916	8.9
91.05471	0.4
95.04957	0.4
95.08550	0.2
97.02919	1.0
99.04446	2.1
107.04964	3.1
108.21716	0.2
109.02882	6.6
110.03192	0.2
115.05460	0.2
115.80857	0.2
117.03380	12.3
118.03751	0.4
127.03930	2.4
130.84474	0.2
135.04414	22.5
136.04745	0.6
137.05956	0.5
145.02849	14.7
146.03183	0.5
163.03902	100.0
164.04234	3.6
169.06383	0.2
175.07547	0.4
180.04074	0.3
181.04964	3.1
191.08195	0.4
195.06549	0.7
199.05092	0.2
265.07053	0.3
307.08109	17.0
308.08414	1.0
325.06595	0.5
325.09711	0.3
325.14334	0.3
326.17163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39765	0.6
52.09532	0.6
53.03937	1.1
54.46667	0.6
55.01870	1.8
57.03429	2.0
60.42751	0.5
61.02923	3.6
62.44857	0.7
69.03073	1.2
69.03427	11.7
69.04604	3.1
69.05020	2.1
70.06592	7.0
72.08151	1.2
73.02914	1.7
79.05510	1.5
81.03407	5.8
84.04472	0.7
84.08129	0.8
85.02907	37.5
85.74239	0.6
86.09715	2.2
87.04482	0.9
89.03909	7.3
91.03953	2.2
91.46371	0.6
97.02888	9.6
99.04453	1.2
107.04937	1.9
109.02880	5.4
110.07140	1.8
117.03383	11.4
120.08093	0.9
123.04427	2.2
127.03924	9.8
131.04895	0.8
135.04417	20.0
136.04825	0.9
137.02348	2.1
138.06500	0.6
139.03775	0.8
145.02859	12.1
145.04941	9.5
145.06004	1.1
147.04413	0.8
163.03906	100.0
164.04225	4.0
171.31050	0.7
177.06856	1.5
181.05003	2.2
187.03908	0.7
195.08188	0.8
203.03392	0.9
205.06494	4.8
206.07019	0.6
213.12404	0.8
223.07539	2.5
233.05966	4.0
237.05533	0.6
241.08461	0.7
251.06992	4.3
261.05521	1.3
269.08087	1.3
279.06543	11.9
283.05920	1.0
283.13446	0.7
289.04965	0.8
297.07510	3.9
307.05972	5.2
308.06445	0.8
325.06949	13.4
325.15030	1.9
325.18909	1.1
326.07291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32597	0.9
53.03933	2.6
55.01867	3.6
57.03441	8.1
61.02927	10.2
69.03431	23.5
70.06580	3.8
71.04990	3.1
72.08149	0.8
73.02927	4.3
75.86200	0.7
77.03912	1.1
79.05496	1.4
81.03416	9.9
84.08109	0.9
85.02905	100.0
86.03223	1.5
86.09700	1.3
87.04459	2.4
89.03915	4.1
91.03957	5.3
91.05470	2.2
91.43640	1.0
95.04996	1.2
97.02892	23.6
99.04453	3.6
101.02395	0.9
103.05488	1.0
105.03416	1.0
105.06986	0.8
107.04940	2.1
109.02876	9.0
110.07160	1.6
115.03948	0.9
117.03391	5.1
119.04934	2.4
120.08127	1.0
121.02877	2.1
123.04432	64.3
124.04728	1.5
127.03917	22.9
129.10236	1.2
131.04944	3.6
135.04428	9.4
136.05174	1.4
137.02332	1.1
145.02945	5.2
145.04961	27.9
145.07588	1.9
147.04388	5.0
147.09166	15.9
151.31393	0.8
159.04439	2.3
161.02274	1.0
162.07648	1.3
163.03911	47.3
163.05902	5.1
164.04295	0.9
175.03879	6.4
177.06966	3.5
181.06425	1.1
187.03915	6.6
191.08157	19.3
193.04958	10.6
195.08084	1.6
203.03392	29.8
204.03818	1.5
204.62917	0.9
205.06479	11.1
205.21370	0.9
213.05566	1.0
223.07529	4.9
227.06941	0.9
233.05951	7.7
234.06766	0.8
250.06267	1.4
251.07068	12.6
251.09479	1.6
252.07607	1.5
255.06433	2.1
261.05493	3.1
263.07111	1.2
268.07449	0.9
269.08072	1.5
279.06512	22.9
280.06854	2.1
281.15012	7.3
283.05911	0.9
293.08020	1.5
296.07007	0.9
297.07550	18.3
298.07968	1.1
307.05725	5.2
307.12820	4.1
325.07077	50.4
325.13745	13.5
326.07541	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32598	0.4
53.03942	1.8
55.01882	2.2
57.03424	2.3
61.02929	0.5
69.03432	14.8
70.06577	0.4
70.08476	1.1
70.08829	0.7
71.01347	0.6
71.04988	4.7
73.02903	0.7
81.03418	16.8
85.02892	1.0
86.09712	0.6
91.05473	0.9
98.22726	0.5
99.04457	4.9
109.02814	0.4
115.32230	0.4
116.04956	0.7
117.05488	1.9
118.06550	6.0
127.90919	0.4
135.04382	0.5
145.07607	8.1
147.08078	0.7
147.09174	8.0
148.06314	0.6
159.09132	0.5
162.07954	0.8
163.03914	2.7
163.08662	0.8
173.07121	12.0
175.08653	7.3
191.08151	100.0
192.08508	3.1
215.11852	0.4
233.09077	0.8
271.10992	0.6
289.11823	2.0
294.71802	0.4
307.12872	31.6
308.13120	2.4
325.07098	2.0
325.13916	18.7
325.17929	0.5
326.14288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01873	1.8
57.03441	2.3
59.04973	0.3
60.39761	0.2
61.02922	0.6
65.93393	0.2
69.03430	15.3
69.84447	0.6
70.06601	0.5
71.01347	0.9
71.04662	0.3
71.05000	4.7
73.02913	0.6
77.62278	0.3
81.03418	16.1
82.03776	0.4
85.02881	0.4
87.04470	0.5
88.13629	0.3
91.05474	0.8
98.22591	0.3
99.04458	5.8
100.03348	0.2
113.92298	0.3
116.04985	0.9
117.05491	1.6
118.06540	5.9
124.91460	0.3
135.09207	0.3
145.07613	8.7
146.07939	0.3
147.09164	8.5
148.06372	0.4
159.09154	0.3
161.07135	0.4
162.07904	1.3
163.08670	1.2
172.06418	0.3
173.07111	12.1
174.07443	0.5
175.07275	0.5
175.08672	5.7
185.07164	0.3
187.08682	0.4
190.07498	0.4
191.08150	100.0
192.08505	4.2
197.62012	0.2
203.08147	0.7
205.09714	1.0
213.10196	0.4
215.07921	0.3
215.11844	0.4
231.11241	0.4
233.09193	1.3
271.10886	0.3
279.13361	0.3
289.11902	1.6
298.02670	0.3
307.12866	29.0
308.13098	1.5
325.13913	17.4
325.21936	0.5
326.14294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21463	0.6
64.82624	0.6
69.04536	2.4
69.04960	2.8
83.78378	0.7
136.84293	0.7
202.26938	0.6
269.12427	0.9
281.17233	4.2
315.60294	0.8
325.16226	100.0
326.16513	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	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86840	0.7
59.01994	0.7
62.01888	0.7
69.30510	1.5
69.30916	2.1
81.07049	0.8
119.33781	0.7
149.02254	0.7
269.12363	0.9
281.17236	3.6
325.16199	100.0
326.16650	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85583	0.8
68.27726	0.7
69.67037	3.3
98.22718	0.8
108.87960	1.0
264.67603	0.8
287.13290	0.8
315.96585	0.9
325.16211	100.0
326.16553	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	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.86062	0.4
55.01875	0.9
55.05514	14.6
56.05036	1.0
57.03435	6.3
57.07084	2.0
58.06595	6.2
59.04997	0.4
65.03896	0.4
67.05507	15.4
67.60999	0.4
69.03422	0.8
69.07073	10.6
69.07456	0.6
69.50043	2.4
70.06605	2.1
71.04997	1.5
71.07371	0.6
71.08636	0.5
72.08157	31.1
73.08508	0.7
79.05495	11.5
81.03394	0.6
81.07059	33.1
83.04990	1.3
83.08616	9.2
83.81999	0.5
84.08138	5.9
85.06552	3.0
85.08935	4.4
86.09715	1.9
90.08600	0.4
91.05476	4.6
93.07044	11.4
95.04965	7.5
95.08609	12.5
96.08128	0.8
97.06543	4.6
97.10181	2.4
98.09692	3.1
99.08102	0.9
103.05485	0.5
105.07034	11.4
106.07394	1.5
107.08598	8.7
109.06534	1.2
109.10155	2.9
110.09747	0.4
111.08102	1.4
112.11217	0.9
117.07040	1.7
119.08588	6.2
121.06511	1.5
121.10143	5.7
123.08088	0.9
123.11727	1.2
124.11210	2.5
126.12826	0.5
128.06238	1.4
129.07016	1.9
131.08568	2.7
133.06500	2.7
133.10168	2.9
134.06870	1.1
135.08055	3.1
135.11711	1.3
136.08426	2.0
141.07018	1.0
142.07791	3.6
143.08546	4.8
144.09329	0.6
145.10129	4.5
147.08081	1.5
147.11703	1.2
149.09647	0.8
149.13257	4.1
151.07538	0.7
153.06984	0.5
155.08553	2.2
156.09319	2.1
157.10127	5.3
159.08066	0.6
159.11716	2.4
161.09634	1.4
161.13275	0.5
163.14828	0.5
165.07059	1.0
166.07748	0.5
167.08583	1.9
168.09312	0.8
169.10135	3.0
170.10921	0.6
171.11671	2.6
173.09691	0.6
173.13318	1.6
175.11206	0.6
177.12772	0.5
178.07605	0.5
179.08604	2.7
180.09360	1.6
181.10118	2.5
182.10933	1.5
183.11691	2.7
185.09622	3.4
185.13254	1.4
187.11159	0.6
187.14713	0.8
189.12773	0.6
191.08559	0.7
191.14342	0.6
192.09390	0.9
193.10124	3.1
194.10876	1.3
195.11707	3.1
196.12447	0.5
196.16997	1.0
197.13264	3.8
198.13773	0.5
199.11203	1.1
199.14824	0.7
203.08586	0.7
205.10144	1.0
206.10902	1.0
207.11734	3.7
208.12465	1.4
209.09605	0.7
209.13235	3.7
211.11246	0.7
211.14825	2.3
213.12817	1.4
219.11691	1.3
220.12389	0.5
221.13251	1.9
222.13889	0.9
223.14822	3.0
225.12881	2.2
227.14322	1.9
231.11845	0.5
232.12392	0.5
233.13272	1.7
234.14008	0.6
235.14795	1.3
237.12747	1.2
237.16391	1.7
238.17075	0.5
239.14417	1.0
239.17952	0.5
241.15851	1.3
245.13219	0.6
245.22760	0.5
247.14801	1.1
248.15466	0.8
249.16389	1.4
251.14340	2.5
263.18021	1.3
263.23709	2.2
265.15784	0.6
267.17346	1.0
269.15482	2.0
279.21103	1.8
280.18143	1.6
281.18948	0.5
289.19449	1.3
297.22070	1.2
307.20554	8.5
307.28345	0.5
308.29474	59.6
325.17667	0.7
325.21606	20.7
325.29364	2.0
326.30527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01887	4.4
55.05509	13.0
57.07080	3.2
67.05506	13.2
69.03423	4.0
69.07076	17.1
70.56657	7.7
71.04993	3.7
71.08634	14.8
72.08159	9.6
72.42812	2.5
79.05491	11.2
81.07055	25.0
83.05001	3.0
83.08627	4.2
83.60954	2.5
85.06539	3.6
86.39443	2.7
91.05473	5.4
93.07056	19.8
95.04973	10.6
95.08624	20.4
97.06542	6.9
97.10173	2.9
99.08087	20.6
105.07031	11.5
107.08593	10.7
109.06525	29.2
109.10133	7.6
119.08582	8.4
120.66415	2.6
121.06546	7.5
121.10166	11.2
123.08071	5.9
123.11685	2.8
125.62407	3.2
131.08592	5.9
133.10152	5.0
135.08026	7.2
135.11739	3.1
139.11201	9.3
141.09128	4.4
141.12743	3.3
149.09595	4.2
161.13234	4.3
163.11183	3.7
165.12767	61.7
166.88696	2.8
173.13292	2.8
177.12761	8.0
181.15869	13.9
191.14211	2.9
251.16457	5.8
261.22128	21.1
271.20560	4.7
279.23111	7.3
289.21609	45.8
307.22656	100.0
308.22913	5.7
326.30264	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	326.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63557	0.3
50.97116	0.3
52.55352	0.3
53.03950	0.6
55.02994	5.3
55.05513	2.1
60.05647	0.5
60.47574	0.4
60.81054	0.3
65.03943	0.3
67.05489	0.3
69.03421	0.3
69.14965	0.7
69.15375	1.9
70.06584	0.6
72.05646	2.0
72.08157	40.4
73.08508	0.4
79.05495	2.7
81.03417	1.2
81.07053	1.5
83.04993	0.5
91.05482	0.6
94.04181	0.4
95.04984	0.7
96.05763	1.3
97.07657	22.5
98.98467	33.4
100.11283	1.4
100.27386	0.3
105.04543	0.4
108.05758	0.5
109.02850	0.5
109.06499	2.7
110.07182	0.3
111.04462	0.4
111.08092	0.6
113.05997	0.4
114.10294	36.5
115.10618	0.5
116.99472	0.7
121.02859	0.5
122.03656	1.6
124.05198	3.0
128.04715	0.5
137.02361	0.3
137.06030	0.3
139.07532	5.3
141.01830	0.7
142.08669	0.3
151.03847	0.6
152.04674	7.3
154.06294	1.2
156.04219	1.3
167.07033	1.3
168.10196	0.4
169.08557	0.5
174.99207	3.2
184.03606	0.5
185.08078	0.8
194.08170	0.7
195.06532	100.0
196.06871	3.1
210.14909	0.3
251.00009	0.4
267.12296	0.3
309.14410	1.3
326.17102	68.7
327.17432	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	326.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01842	0.7
55.05508	2.5
57.03431	1.4
58.06617	0.8
59.04999	0.6
61.02921	1.9
67.05499	0.8
68.69852	0.5
69.03424	4.5
69.07062	1.1
69.57983	1.1
69.58337	3.0
70.06585	1.6
71.04997	1.1
72.08163	3.9
73.02933	1.1
81.03407	2.2
81.07057	1.8
83.08618	8.7
84.04504	0.8
84.08148	0.9
85.02906	26.2
85.03424	1.3
86.09711	5.4
91.03947	1.8
93.07066	0.9
95.08611	1.1
97.02897	8.4
98.98468	100.0
99.04459	1.7
100.03984	3.7
101.09661	4.8
105.07005	0.7
109.02879	2.7
110.07178	1.2
110.09652	1.0
112.94376	0.6
116.99504	3.7
122.09669	1.8
127.03906	6.0
128.10713	0.9
137.05991	0.9
140.10663	1.3
145.04959	10.1
147.10194	0.9
153.49628	0.6
154.22685	0.6
163.06049	1.4
174.99229	12.1
175.07874	0.6
182.11781	1.8
183.04324	0.6
199.14442	1.2
246.22165	0.7
250.99973	1.5
306.39182	0.6
308.22183	4.5
308.25650	1.0
309.18149	2.4
326.07645	1.2
326.23251	21.1
326.26947	4.5
327.23672	1.4
327.27237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27623	0.4
54.08691	0.4
54.08936	0.3
54.53313	0.3
57.04551	0.7
70.06599	5.3
71.28870	0.5
72.08163	1.0
74.07217	2.5
92.04971	0.6
94.06593	2.3
98.98460	2.0
110.06056	1.2
110.07156	0.9
116.07102	2.3
116.09241	0.4
116.62046	0.4
123.82217	0.4
133.09702	0.6
138.05504	100.0
139.05855	3.5
144.11371	0.7
156.07703	0.8
157.99858	0.4
158.09290	0.8
189.13466	12.3
198.10936	0.4
242.09850	0.5
272.11050	0.4
326.12067	1.5
334.67694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2324
Annotation	Broussonetine W
Peak:m/z	Relative Intensity
53.03935	1.8
55.01863	1.0
55.05506	3.1
55.48213	0.5
56.05037	1.1
57.03438	3.4
58.06599	4.2
61.02923	0.6
67.05499	6.0
68.19665	0.5
68.99780	0.6
69.03423	2.2
69.07072	2.4
69.53954	2.4
70.06592	5.7
71.04972	1.0
72.08155	25.5
79.05495	8.6
79.25685	0.6
81.03403	1.8
81.07056	10.9
82.06590	0.7
83.04971	1.0
83.06075	0.5
83.08609	1.9
83.62086	0.5
84.04491	0.6
84.08144	5.6
85.02896	6.5
85.06538	0.7
85.08914	3.1
86.09705	10.1
91.05482	5.5
91.06020	0.8
93.03353	0.5
93.04534	0.7
93.07036	8.2
95.04959	3.1
95.08601	11.3
96.08118	1.3
97.02865	1.3
97.06509	1.3
98.09694	3.0
98.22678	0.9
98.98464	39.8
99.04491	0.6
101.09631	0.7
103.05472	0.8
105.04562	0.6
105.07020	3.6
107.04929	2.5
107.08579	1.4
109.06506	1.1
110.07185	4.0
110.09705	0.8
111.08092	0.8
112.11293	0.5
114.09165	0.6
116.99527	0.9
117.06995	2.1
119.08561	2.1
120.08085	2.0
121.06506	4.3
121.10127	1.2
122.09649	1.9
123.04405	1.1
123.08076	1.5
124.11227	0.7
125.06031	0.5
127.03904	1.3
129.06999	0.6
131.08562	2.4
133.10124	1.7
135.04399	0.5
135.08023	1.0
136.07561	0.8
139.03842	0.6
140.10698	1.5
143.08554	1.3
145.04935	2.9
145.06436	0.5
145.10085	1.2
147.08063	1.0
147.11703	0.6
149.05972	1.6
149.09596	0.7
151.05681	0.9
156.07594	0.5
157.10114	1.4
159.08034	0.8
159.11722	0.9
161.09602	0.7
163.03937	1.1
163.06047	0.8
164.04262	2.0
164.07138	0.6
167.07001	0.7
174.99260	4.3
175.11005	0.5
175.14793	0.6
185.13216	0.5
185.16496	1.4
187.07523	1.8
187.11127	0.5
199.14780	0.6
201.14670	0.5
207.08006	0.6
209.10219	0.6
213.16066	0.7
224.20018	0.7
227.14145	0.8
245.15459	0.5
251.00110	0.8
263.16452	0.9
264.23190	0.6
280.06854	1.6
290.21127	1.5
295.09839	0.6
297.07245	0.7
308.06308	1.1
308.22183	50.1
309.22595	2.6
321.89880	0.5
326.07593	4.9
326.23236	100.0
327.07904	0.6
327.13580	0.6
327.23480	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	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
53.03957	2.3
53.16848	0.4
54.77446	0.5
55.01880	0.6
55.05507	2.5
56.05051	1.0
57.03440	2.6
58.06597	4.7
67.05508	6.1
68.99787	1.0
69.03403	5.4
69.07066	2.0
70.06593	4.2
70.60113	0.4
71.07386	0.7
72.08155	23.3
73.08488	0.6
78.36446	0.4
79.05493	8.4
81.03411	2.4
81.07059	11.0
83.08599	1.4
84.08151	5.7
85.02904	3.7
85.08926	4.0
86.09694	6.4
91.05476	6.1
93.07037	7.3
95.04967	2.0
95.08047	0.9
95.08611	12.0
96.08127	0.7
97.02894	1.0
97.06520	1.9
98.09698	3.1
98.98466	19.4
103.05470	0.8
105.04532	0.7
105.07033	2.6
107.04940	2.6
107.08588	1.8
109.06571	0.8
109.81848	0.5
110.07132	2.6
111.08048	0.6
114.09164	0.7
117.07014	1.8
119.08576	2.6
120.08144	1.2
121.06506	3.6
121.10162	1.0
122.09647	0.7
123.04468	1.0
123.08048	0.8
124.11236	0.9
125.02917	0.5
127.03881	1.1
129.06996	1.3
131.08565	2.2
133.10112	1.5
135.11708	1.0
143.08511	0.8
145.04953	1.4
145.10138	1.4
147.08104	0.6
147.19026	0.5
149.05974	2.1
149.09602	1.0
151.07529	0.7
157.10123	1.0
159.11673	0.8
161.09648	0.7
163.03825	0.8
164.04227	1.0
171.11694	1.0
174.99199	1.4
175.14749	0.8
185.08101	0.5
185.16528	1.0
187.11072	0.5
227.14180	0.8
263.16327	1.1
264.23291	0.8
280.06848	1.4
308.22189	54.8
309.22614	3.5
326.07443	4.0
326.23239	100.0
327.23557	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	326.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02148	0.3
52.54270	0.3
53.03936	0.5
55.01876	0.4
55.05518	2.0
56.05022	0.7
57.03431	1.3
57.42643	0.3
58.06613	0.8
67.05496	2.1
69.03419	0.9
69.07058	1.2
70.06591	3.6
71.05001	0.5
71.29884	0.4
72.08157	100.0
73.08488	1.5
77.44008	0.4
78.79893	0.3
79.05488	0.9
81.03423	1.5
81.07059	4.5
82.03760	0.5
82.06599	0.4
83.08611	0.8
84.08147	2.5
85.02919	1.1
85.06547	0.8
86.09723	2.1
89.03906	0.6
91.05479	1.2
93.07024	1.8
94.06529	0.5
95.04973	0.6
95.08626	1.8
96.08123	1.2
97.02915	0.5
97.06553	0.6
98.09705	1.0
98.98466	52.8
99.04457	0.4
100.07664	0.6
100.11290	0.7
103.05484	1.7
105.07034	0.8
106.15790	0.4
107.04943	0.5
107.08603	0.9
108.08107	0.6
109.02855	0.3
109.10141	0.4
110.07171	2.5
110.09702	0.8
112.11283	0.5
114.09206	0.7
116.99516	1.3
117.03407	0.3
117.06981	0.4
118.03757	0.5
119.08595	0.7
120.08105	21.4
121.06551	0.5
121.10174	0.3
122.09690	0.4
123.11744	0.4
124.11227	2.2
125.02392	0.4
128.07083	0.6
128.49692	0.4
130.08592	0.4
135.04404	0.7
136.04799	0.9
146.03180	0.5
152.14380	1.6
157.10178	0.3
159.11752	0.4
163.03891	3.8
163.07346	0.3
164.04247	5.1
166.15900	0.4
168.56317	0.4
169.39346	0.3
174.99249	5.5
180.10181	4.5
182.15373	0.8
187.13365	0.4
210.14665	0.4
213.15897	0.4
225.10101	0.4
227.17592	1.5
239.08269	0.5
239.11829	0.8
251.00090	0.7
254.10667	0.4
285.12180	0.4
308.09003	1.4
308.25870	4.3
326.10434	0.6
326.26971	45.9
327.13434	2.6
327.17853	12.8
327.27179	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	326.305
Annotation	iso-6-Spectaline
Peak:m/z	Relative Intensity
53.03948	1.2
53.56251	0.6
55.05513	7.7
56.05036	1.0
57.03436	4.5
57.07082	2.6
58.06600	3.7
63.73199	0.5
67.05506	8.4
69.07073	4.6
69.59915	2.0
69.60323	1.2
70.06595	2.5
71.05004	0.9
71.07360	0.6
71.08625	1.3
72.08154	94.4
73.08469	0.7
74.86814	0.5
79.05484	4.8
81.06577	1.3
81.07053	19.2
83.08623	5.1
84.08141	5.0
85.06538	0.6
85.08939	2.5
85.10178	0.6
86.09715	1.1
89.31712	0.5
91.05491	0.6
93.07041	3.4
95.08606	9.4
96.08137	0.9
97.06561	1.0
97.10169	2.1
98.09701	1.5
98.98441	1.3
105.07037	0.8
107.08587	3.3
109.10170	1.9
119.08518	0.6
121.10167	2.3
123.11747	0.8
124.11228	3.3
127.56699	0.5
133.10072	0.6
135.74994	0.6
148.10439	0.6
149.13260	2.1
163.14793	0.7
173.71611	0.5
176.75429	0.5
196.17000	0.7
223.20647	0.8
245.22632	0.7
256.61163	0.8
263.23676	2.4
295.95337	0.6
308.29459	44.8
308.53287	0.6
309.12448	0.5
309.29755	2.2
326.30515	100.0
327.30875	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	326.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05515	7.6
56.05030	0.6
57.03444	5.4
57.07065	2.1
58.06600	4.0
62.61622	0.5
67.05508	10.7
69.07068	6.8
69.60332	1.3
69.60745	1.3
70.06582	3.1
71.04977	0.9
71.07381	0.7
71.08640	0.6
72.08157	62.0
73.08483	0.8
79.05495	5.3
79.27532	0.6
81.06581	1.1
81.07059	22.3
83.08622	5.3
84.08131	3.9
85.06544	1.2
85.08913	2.6
85.10194	0.6
86.09717	1.5
91.05486	0.6
93.07037	3.8
95.08610	9.7
97.06521	1.7
97.10178	1.8
98.09682	1.9
98.98464	2.7
105.07050	0.6
107.08573	3.3
109.10178	1.3
110.96129	0.5
119.08515	0.7
121.10131	2.1
124.11227	2.2
125.09605	0.6
129.49603	0.5
149.13220	2.9
169.15904	0.5
196.17004	0.6
245.22739	0.8
263.23654	2.5
308.29474	45.9
309.29800	2.9
326.30524	100.0
327.30856	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	326.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05284	0.3
55.05520	3.7
56.05042	1.7
57.03442	2.1
57.07076	2.2
58.06603	5.3
58.97276	0.3
67.05508	3.3
69.06721	0.5
69.07066	4.9
69.64600	1.5
70.06593	2.7
71.07377	0.5
71.08618	1.0
72.08159	21.6
79.05492	0.8
79.28433	0.3
81.06577	0.6
81.07052	4.8
83.08632	2.3
84.08148	9.9
85.06520	0.6
88.07639	0.6
91.05469	0.6
93.07042	0.6
95.04963	0.6
95.08611	4.0
96.08125	0.7
97.06541	0.4
97.10185	1.6
98.09698	0.9
98.23338	0.4
98.98473	20.3
105.07023	0.4
109.10177	1.8
112.11279	0.7
114.09171	0.9
116.99430	0.4
122.54373	0.3
123.11716	0.4
124.11203	0.6
135.11754	0.6
152.06253	0.8
174.99210	1.6
180.40297	0.4
218.80922	0.3
226.25366	0.4
233.03651	0.9
254.28410	0.6
268.40991	0.3
308.29892	1.1
308.33102	25.7
309.33414	2.1
326.30658	7.2
326.34158	100.0
327.07904	2.3
327.23300	0.5
327.30914	0.6
327.34491	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	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
56.96557	3.6
57.03432	3.7
69.03419	2.2
69.93693	4.2
70.02958	8.2
70.06590	3.7
71.01341	1.9
72.08133	1.4
73.02896	2.5
82.99837	2.0
85.02910	3.4
86.09696	4.2
97.02869	1.6
98.97580	7.5
98.98467	27.6
101.00877	15.1
103.78586	1.1
109.01535	0.9
110.07187	1.7
111.07448	1.0
112.03575	1.3
113.00871	12.0
116.98620	2.8
119.01924	24.9
131.01912	28.3
132.10162	1.0
133.03450	1.2
137.02954	3.0
139.02441	1.3
143.01906	4.8
153.01413	6.3
155.01883	12.5
155.03041	1.6
155.06694	2.2
157.03479	9.9
161.02980	14.0
167.01930	2.1
168.16022	0.9
169.09285	2.2
170.02943	1.3
171.02512	41.4
171.10909	3.2
172.02625	2.3
172.94385	4.0
173.02933	20.2
173.04233	1.6
173.07722	3.5
174.97707	1.4
174.99225	3.6
175.04555	3.8
177.01102	1.0
182.02869	1.9
185.02959	16.4
186.03075	1.0
189.03572	100.0
190.03706	4.9
190.95406	2.6
191.04031	2.8
195.02483	7.4
207.02507	7.5
209.03992	2.2
213.03568	70.7
214.03745	4.4
214.95438	4.1
215.03966	5.6
215.09964	2.4
218.98724	1.4
219.02005	1.6
225.03560	29.4
226.03745	2.3
227.05032	6.1
231.04619	44.8
232.04837	2.1
232.96422	12.1
233.05080	19.6
234.05289	1.5
234.99872	1.2
236.99799	2.9
237.03513	5.5
238.13939	1.6
242.98682	1.4
243.04645	7.7
249.03546	1.6
250.97467	6.7
255.04634	11.6
260.99966	4.7
267.04666	2.3
268.14948	1.9
279.00845	1.6
284.99789	11.9
285.05740	2.0
285.99976	1.4
286.16141	7.1
303.00909	15.0
303.06604	4.9
304.01050	2.1
310.17139	2.6
310.80661	1.0
327.06699	46.5
328.06952	3.1
328.18234	7.5
333.78424	1.0
345.01895	3.0
345.07770	6.1
346.04868	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	327.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01868	0.2
55.05517	0.9
57.03434	0.2
57.07054	0.4
58.06601	0.2
59.31994	0.2
65.03909	0.2
67.05502	1.3
68.42825	0.2
69.03439	0.3
69.07067	0.7
69.34840	0.3
69.35248	1.0
70.06587	1.0
71.04974	0.4
71.49762	0.2
71.80362	0.2
72.08157	6.6
77.03926	0.3
79.05480	0.9
81.03414	0.2
81.07059	1.6
82.06566	0.2
83.04975	0.4
83.08615	0.8
84.08180	0.4
86.09710	0.6
91.05481	1.3
93.07050	2.8
95.04965	0.5
95.08607	1.3
96.08141	0.2
97.06541	0.3
98.98466	49.2
100.11258	0.8
103.05467	6.7
105.07023	0.5
107.04946	0.2
107.08581	0.6
109.10146	0.7
110.07185	0.2
110.09725	0.3
114.09199	0.2
116.99508	1.5
117.07021	0.2
119.07312	0.3
119.08571	0.5
120.08105	100.0
121.06542	1.6
121.08448	2.5
121.10143	0.5
123.04408	0.2
123.11720	0.3
124.11251	0.2
128.07060	0.2
128.10715	0.8
131.04919	0.6
131.08626	0.3
135.11691	0.5
140.01109	0.3
141.11440	0.3
145.10176	0.3
146.06036	0.4
147.11748	0.3
156.13812	0.4
156.96384	0.2
159.11713	0.2
163.03975	0.4
163.07498	1.0
174.99213	5.3
180.10191	21.5
181.10535	0.4
182.15434	0.6
184.13388	0.3
210.14952	0.5
221.05945	0.4
239.08272	0.3
239.11844	0.2
249.05537	0.4
251.00136	0.7
255.20706	0.3
267.14905	0.8
268.07330	0.2
277.05038	0.2
285.17929	0.2
295.06067	1.0
310.23773	0.5
310.27414	0.2
326.27667	0.3
327.13181	1.1
327.17441	2.4
327.27155	0.2
328.13867	0.2
328.25006	3.1
328.28488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96191	0.9
53.03937	3.4
55.05517	8.5
57.03428	1.8
57.07071	5.5
58.06593	1.7
65.03940	2.1
67.05508	16.3
69.03455	1.0
69.07073	10.2
70.06622	1.1
71.05006	1.8
71.08642	1.7
71.30371	1.2
72.08150	7.4
73.77814	0.9
75.79283	1.1
79.05486	9.2
81.03405	3.2
81.07056	20.5
83.04939	1.7
83.08617	4.4
84.08141	1.5
85.06522	1.9
86.06078	1.3
87.68883	0.9
88.83057	1.1
91.05478	17.4
93.07043	28.3
95.04967	28.9
95.08605	22.6
95.09166	1.7
97.06537	6.2
97.10208	1.3
98.98466	100.0
105.04542	2.6
105.07030	24.4
107.08595	16.1
108.90414	0.9
109.06510	5.1
109.10153	11.1
115.05472	1.4
116.99494	2.7
117.07034	7.4
119.08587	23.2
119.09440	1.5
121.06513	5.4
121.10132	12.6
123.08088	4.8
123.11733	3.6
127.73402	0.9
128.06213	2.7
129.07024	4.1
130.07788	3.2
131.08569	11.1
133.06546	1.3
133.10129	17.4
135.08054	3.9
135.11696	5.2
137.09612	2.7
141.06958	2.2
142.07761	4.3
143.08542	8.8
144.09315	2.5
145.10133	12.7
147.11708	4.9
149.09590	1.9
149.13286	1.3
151.11179	1.2
152.06183	3.6
153.06949	2.5
155.08528	2.8
156.09303	2.3
157.10129	13.5
158.10918	1.6
159.08098	2.1
159.11694	16.8
161.09637	4.3
161.13257	2.9
166.36607	1.1
167.08487	1.3
168.05588	1.7
169.10127	4.7
170.10880	1.3
171.07988	1.3
171.11725	7.5
173.09673	1.3
173.13274	7.6
174.99228	12.4
175.14793	6.3
179.08597	1.8
181.10173	2.0
182.10881	1.4
183.11700	4.7
184.12498	1.5
185.13255	5.4
187.11189	3.5
187.14807	5.5
189.12775	1.1
189.16394	1.0
195.11723	2.5
197.13268	4.1
199.14798	3.5
205.15910	1.1
209.13268	3.5
211.14830	3.7
213.16457	1.6
217.16028	1.2
221.13248	1.3
225.16359	2.1
227.14290	1.3
233.03659	3.7
235.14777	2.7
251.00122	1.2
251.04694	2.3
253.15919	2.3
291.20880	1.5
292.30078	2.5
309.22058	3.2
309.33524	4.8
310.31000	8.3
326.34161	5.6
327.07864	13.0
327.23047	10.1
327.26797	1.8
327.30847	2.0
327.34421	18.2
328.32098	11.7
328.35556	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94969	0.2
56.05038	0.4
56.96566	16.0
60.05645	0.3
69.07044	0.3
69.15713	0.7
69.16130	1.3
69.63616	0.3
70.06595	5.0
70.29144	0.2
70.98100	0.3
71.95262	1.7
72.08152	1.9
72.96046	0.4
73.08580	0.3
83.06087	0.6
83.97637	0.7
84.04514	0.4
84.08144	3.1
84.96030	0.8
86.09209	0.4
86.09706	5.1
87.10057	0.3
90.08856	0.3
95.06065	0.3
97.99186	0.5
98.97581	23.9
98.98458	7.7
99.97893	0.5
101.36733	0.3
110.07173	2.7
110.97584	0.4
112.07674	0.3
112.08736	0.4
112.92307	0.5
115.08657	0.3
116.98627	12.5
119.01913	0.3
122.06094	0.3
126.02256	0.7
127.05023	0.3
128.98669	0.3
129.10254	0.9
130.04933	0.2
130.93289	3.0
131.01929	0.4
132.10199	0.7
132.96609	0.4
134.99663	3.2
136.07596	0.3
140.00249	0.2
140.03818	0.9
142.01741	0.3
142.05374	0.8
144.03288	0.4
148.94324	0.6
150.05472	0.6
153.53200	0.3
154.93356	1.0
155.94060	0.4
156.07683	0.5
158.04877	1.4
158.92770	0.5
160.02756	0.3
160.06451	1.4
163.03923	0.5
166.07272	0.3
166.08598	0.4
170.05032	0.5
172.08167	0.6
172.94354	33.4
173.07800	0.4
173.94627	0.4
174.07915	0.4
174.97791	0.4
174.99243	0.6
175.11865	0.3
176.05957	0.4
176.93839	0.3
176.99280	0.3
177.00954	0.7
178.07573	0.5
188.05923	0.8
188.07568	0.3
190.03755	0.6
190.09190	0.4
190.95406	25.1
196.94356	0.6
206.06963	0.5
207.00256	0.3
207.56471	0.3
208.10506	0.3
208.96457	6.7
213.96968	0.4
214.03680	0.3
214.95395	29.6
215.09917	0.5
215.95708	0.4
216.05377	0.3
216.10811	0.5
216.96916	0.9
216.98763	0.4
219.01884	1.3
222.92661	0.2
224.08083	0.7
226.97577	0.3
230.07048	1.5
231.98039	0.4
232.04993	0.4
232.96452	100.0
233.96802	1.5
234.97089	0.3
234.99893	0.5
236.07199	0.6
242.13533	0.3
245.61610	0.3
250.97520	49.6
251.97885	0.8
255.98010	1.3
257.07806	0.3
260.94406	1.4
265.60611	0.3
268.98685	0.6
269.96021	0.3
271.60999	0.5
273.98947	0.7
274.97562	0.3
277.60873	1.7
278.10962	0.4
278.95825	0.9
283.60767	1.4
284.13361	0.5
285.99857	1.0
286.16174	0.8
286.61475	0.3
287.97003	1.4
298.10538	0.6
304.01053	1.1
304.04108	0.6
305.00674	0.6
305.17514	0.6
305.98050	0.9
314.09433	0.4
315.66190	0.4
316.03857	0.4
316.15994	0.3
322.04825	0.5
328.03769	12.4
328.18332	0.8
329.03964	0.6
329.19128	0.7
332.10309	0.7
346.04861	63.8
347.05164	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	328.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	5.6
60.05649	5.1
69.57081	0.7
70.06594	28.2
71.27796	0.6
72.08138	2.4
77.88702	0.7
80.53826	0.8
83.00963	6.8
84.04486	0.8
84.08128	2.0
86.09709	9.5
97.07681	3.2
97.81874	0.6
98.04545	0.8
98.06023	0.7
98.97581	7.8
98.98454	41.1
100.03558	1.0
101.02008	7.6
110.07163	1.5
112.02452	1.1
112.02824	0.8
112.03590	10.3
112.08717	2.1
114.05095	0.7
115.08669	1.0
116.05608	2.0
116.98664	3.5
116.99407	0.9
118.04642	5.6
118.07106	0.9
119.01939	1.4
119.03008	1.5
125.05611	0.8
126.04025	0.8
127.07139	0.9
128.05565	2.6
130.03531	1.0
130.04619	4.7
130.93314	0.8
132.06197	1.6
132.10173	1.5
133.06174	0.8
134.06615	1.0
134.99678	1.2
136.05692	0.9
137.05531	3.3
138.81738	0.7
140.06688	3.3
142.07208	1.6
142.08250	6.7
143.06636	0.9
144.05063	2.4
144.08730	0.9
145.03439	0.9
145.08136	1.0
146.06575	1.1
150.05322	0.7
151.08304	1.5
152.06693	4.6
153.05058	3.3
153.09846	0.9
154.07176	1.0
154.08249	5.1
154.90765	1.5
155.06642	22.4
156.05104	5.4
156.06342	0.9
156.06795	0.7
157.10867	1.8
158.07747	1.1
159.10880	1.1
160.08165	1.5
160.09322	4.3
162.06155	1.5
162.09644	1.2
168.06198	4.4
169.04575	0.9
169.09360	19.6
170.07751	3.7
170.09294	1.2
171.06174	8.2
171.10919	34.8
172.02626	0.7
172.08136	3.0
172.09309	9.9
172.10828	1.3
172.94337	9.6
173.07729	57.5
174.03108	0.7
174.06299	0.8
174.07892	4.6
174.99214	3.2
175.11870	0.9
176.98938	0.8
177.00961	1.6
179.07759	1.4
180.06212	1.6
186.07182	2.8
187.05722	4.4
187.10402	12.1
189.11981	29.0
190.03658	1.7
190.09300	1.1
190.12192	1.7
190.95341	5.7
196.09322	1.1
196.91615	0.7
197.08836	12.5
198.07253	3.6
200.08818	1.7
208.96385	2.1
209.11470	0.9
211.08058	1.0
214.03638	0.9
214.95384	8.5
215.09895	41.8
216.08241	8.9
216.10139	2.3
217.08344	0.9
219.02049	3.1
220.02150	1.1
221.11353	0.9
224.78047	0.7
232.04819	0.7
232.96452	27.9
233.10959	17.8
234.11218	1.1
237.99980	1.0
238.11575	1.8
238.13982	22.6
239.14304	1.1
240.10800	1.1
240.15605	2.2
241.13957	1.1
242.17128	2.1
250.13995	2.8
250.97522	14.7
250.99985	1.3
251.12328	1.4
252.05511	0.7
257.13416	1.8
258.11838	1.4
261.99832	1.2
268.15048	35.4
269.13370	2.8
269.15698	1.4
280.00888	1.5
281.49332	0.8
284.13824	1.0
285.99954	4.1
286.16110	100.0
286.99713	1.2
287.16693	7.2
302.14423	0.8
304.00919	5.0
304.17441	0.8
305.00684	1.4
309.17719	1.5
310.17227	33.7
311.17404	2.8
314.09393	0.9
328.03812	2.6
328.18277	81.9
329.10391	1.6
329.18619	7.9
332.10489	1.4
337.09302	0.8
346.01263	1.1
346.04947	17.1
346.19217	6.9
347.04904	0.8
347.19791	1.2
351.19968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05038	1.5
58.06601	100.0
59.06930	1.1
60.65868	0.2
69.95158	0.6
70.06599	1.6
72.08152	2.2
72.74104	0.2
73.05299	0.8
84.08100	0.2
86.09708	2.0
88.07632	2.0
91.05518	0.2
95.08680	0.2
98.98466	30.5
100.98866	0.3
116.07096	2.2
116.99523	0.9
118.08659	2.2
128.10732	0.3
174.99213	2.4
176.98933	0.8
185.16458	0.8
201.12437	0.3
213.16028	0.6
252.99765	0.2
310.20148	0.2
328.21179	25.3
329.21506	1.5
354.58081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.223
Annotation	468:PN:WO2005081628 SEQID:470 claimed protein
Peak:m/z	Relative Intensity
51.32207	0.2
55.05510	1.6
55.09059	0.2
56.05045	0.3
58.06602	2.2
59.05338	0.3
68.05047	0.4
70.06593	100.0
70.78468	0.5
70.78786	0.4
71.06926	1.1
72.07753	0.5
72.08155	11.0
73.08484	0.3
84.04512	0.5
84.08153	0.4
86.09705	8.5
88.04009	0.3
91.05480	7.3
98.06055	1.4
98.98466	7.7
107.05006	0.4
114.09169	0.3
116.07098	0.8
118.06545	0.3
118.08699	0.3
119.04948	4.7
120.08107	3.5
121.06509	0.3
126.05523	0.5
132.10191	0.5
136.07576	25.1
144.06590	0.6
144.10201	1.2
146.06000	0.5
147.04405	1.5
166.08681	1.0
169.13358	7.9
174.99281	0.6
183.05347	0.5
183.14906	4.0
187.14343	0.3
197.12843	5.8
206.08063	0.3
209.03259	0.3
211.14380	3.5
211.15987	0.3
215.13913	23.8
216.14250	0.8
229.15472	22.3
230.15915	1.1
231.17099	0.6
241.29399	0.3
246.52415	0.3
254.06656	0.3
282.08014	0.3
295.45828	0.3
328.22189	7.2
329.15341	1.0
329.22519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.6
56.05037	1.3
58.06601	100.0
59.06927	1.5
68.60465	0.7
69.07071	1.2
69.33956	5.2
70.06590	37.3
72.08154	62.4
74.06080	0.9
74.11762	0.8
84.04504	1.1
84.08139	1.1
86.09705	64.3
88.07629	1.9
95.32292	0.9
98.98468	15.0
99.05579	1.7
103.05453	1.5
116.07093	70.7
117.07456	1.1
118.08662	1.7
120.08112	11.1
126.05574	0.8
130.04964	0.9
175.12657	1.0
185.16486	30.6
186.16887	1.1
187.10880	1.2
195.11275	3.5
201.12349	1.8
213.15996	14.3
215.13919	5.6
229.15564	2.1
239.13992	1.2
258.71939	0.8
328.21210	27.0
329.21381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.01860	0.2
55.05522	1.4
56.05030	1.0
57.03437	0.6
57.05828	0.5
58.06592	1.0
59.99120	0.3
60.27686	0.2
67.05509	2.2
69.07070	0.8
69.43859	1.4
70.06602	3.6
71.04993	0.4
72.08158	100.0
72.39194	0.2
73.08486	1.2
79.05493	1.2
81.07063	3.1
83.04991	0.4
83.08622	0.6
84.08149	1.4
85.06537	0.3
86.09706	0.9
88.02227	0.7
91.05487	1.2
93.07043	2.1
94.06567	0.3
95.04963	0.4
95.07360	0.4
95.08613	1.4
96.08145	1.1
97.06542	0.9
97.10207	1.1
98.09726	0.4
98.98470	24.0
100.07658	0.4
105.07048	0.4
107.08607	1.0
108.08136	0.7
109.06518	0.3
109.10162	0.6
110.09677	3.0
111.08080	0.4
114.09159	1.9
116.05323	0.8
116.99524	0.6
117.07004	0.3
119.08592	0.5
120.08127	1.9
121.06496	0.3
121.08472	1.0
121.10155	0.3
123.11710	0.3
124.11228	2.3
125.09653	0.7
128.10721	12.7
135.08008	0.3
139.07593	0.3
145.10143	0.2
147.11681	0.4
161.13266	0.2
163.03983	0.2
163.11127	0.2
174.99228	1.9
176.98976	0.7
180.10307	0.3
180.25485	0.2
181.10577	0.4
189.11292	0.7
247.16960	0.5
252.15483	0.2
292.22858	0.6
296.06454	0.4
310.23834	3.3
310.27466	2.0
328.24899	51.2
328.28546	9.5
329.25143	3.9
329.28757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
50.74939	0.4
51.17244	0.4
53.03955	0.3
55.01867	0.4
55.05518	2.0
56.05036	2.5
57.03440	1.9
58.06602	100.0
59.06933	1.3
67.05504	3.8
68.05045	0.4
69.07073	2.7
70.06600	2.5
70.64557	0.9
71.04989	0.9
71.07364	0.3
72.08157	9.3
76.47468	0.4
79.05499	2.9
81.07053	8.9
83.04995	0.9
83.08611	0.8
84.08132	1.6
85.06534	1.2
86.09692	0.8
88.07618	0.5
88.94646	0.3
91.05486	1.1
93.07040	3.3
94.06579	0.6
94.07340	0.4
95.04980	1.0
95.07337	1.1
95.08607	3.3
96.08141	1.1
96.08904	0.4
97.06531	0.9
97.10146	1.2
98.09672	0.6
98.98467	51.9
105.07010	1.4
107.08583	1.2
108.08113	1.1
109.10130	0.8
110.09680	9.1
111.08086	0.5
114.09175	0.8
116.99471	1.7
117.07026	0.6
119.08560	1.3
120.08113	0.6
120.32584	0.3
121.06544	0.5
121.08428	0.4
121.10143	1.5
123.08105	0.7
123.11713	1.1
124.11236	0.5
126.12785	0.6
128.10736	1.0
130.08629	0.5
131.08583	0.5
133.10158	0.9
136.07561	0.5
139.11147	1.7
145.10078	0.6
174.99205	3.4
176.98907	1.1
187.13168	0.5
201.12289	1.0
203.12714	0.8
261.18372	1.3
279.19260	0.6
292.22528	1.0
299.05377	0.7
310.23578	5.0
310.27246	7.9
311.27390	0.4
314.00040	0.4
328.24600	53.4
328.28360	15.2
329.10129	0.8
329.25214	4.2
329.28677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.4
55.01870	0.4
55.05511	3.8
56.05036	2.6
56.42256	0.1
57.03440	1.8
57.05820	0.3
57.07071	0.4
58.06599	100.0
59.06933	0.9
60.73137	0.1
66.84286	0.1
67.05504	4.3
68.05034	0.4
69.07065	3.0
69.52898	0.3
69.53287	0.2
70.06594	1.2
71.04993	1.7
72.08152	2.6
79.05493	2.2
81.03415	0.4
81.05814	0.3
81.07053	5.4
82.06579	1.3
83.04976	0.8
83.08615	2.0
84.08144	0.6
85.06537	0.6
88.07628	0.7
91.05494	1.1
93.07046	3.1
94.06581	0.3
95.04966	0.3
95.07359	0.9
95.08602	3.4
96.08127	0.3
97.06532	1.4
97.10175	0.6
98.09704	0.4
98.22678	0.3
98.98463	10.9
99.04482	0.4
99.08099	0.3
101.24472	0.2
105.07035	0.5
107.08600	1.6
108.08109	1.8
109.06537	0.2
109.10168	0.7
110.09677	10.5
111.08088	0.3
115.54104	0.2
117.07027	0.1
119.08586	0.4
121.10131	1.1
123.08118	0.2
123.11727	0.3
124.11227	0.2
125.09634	0.2
126.12785	0.4
128.10695	0.2
131.08578	0.2
133.10149	0.4
135.11684	0.2
147.11714	0.3
149.13249	1.0
159.11705	0.1
163.14867	0.2
167.14328	0.2
174.99211	0.9
175.99648	0.2
176.98936	0.4
261.22159	0.3
274.25302	0.2
292.26352	6.1
293.26596	0.3
301.15686	0.2
310.27383	29.7
311.27774	2.1
328.28482	17.4
329.21478	0.2
329.28796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72357	0.3
53.48551	0.3
55.05516	2.0
56.05017	0.7
57.03401	1.0
57.07070	1.7
57.91982	0.3
58.06599	19.7
65.03934	0.5
67.05500	3.9
68.09343	0.3
69.07071	2.2
70.01616	1.2
70.06573	1.2
71.04966	0.7
71.08625	2.0
72.08151	3.5
72.83002	0.3
76.98988	0.3
79.05479	1.6
81.07055	4.4
83.04970	0.3
83.08618	0.9
84.08138	2.3
85.08923	1.1
85.10172	1.2
86.06042	0.4
86.09700	0.4
91.05473	1.5
93.07033	1.5
95.04968	100.0
95.08604	3.7
96.05289	1.8
96.08129	1.3
97.06532	0.5
97.10210	0.5
98.09710	1.7
98.98466	26.6
102.09177	11.1
105.07021	0.8
107.08593	0.9
108.08125	1.6
109.06531	0.4
109.10145	0.9
109.78181	0.3
110.09689	2.5
115.05463	0.3
116.10679	0.3
116.99495	0.4
117.07043	0.3
119.08629	0.5
121.10177	0.4
122.09672	4.0
123.10457	1.1
124.11270	0.4
126.09148	2.0
126.90960	0.3
128.06238	0.5
128.10735	1.8
131.08623	0.4
136.11340	0.3
140.10680	1.9
144.10194	5.8
144.11154	0.4
155.14310	1.5
174.99187	2.1
176.99028	0.7
265.21591	4.2
292.26413	6.1
292.29977	0.8
310.27466	31.4
310.31192	4.3
311.27881	2.3
311.31351	0.4
328.28839	34.2
328.32196	3.7
329.29211	2.1
329.47305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.3208
Annotation	N,N-Dimethylsphing-4-enine
Peak:m/z	Relative Intensity
55.05511	8.9
56.05018	1.1
57.03440	4.8
57.07067	1.1
58.06602	19.3
63.36022	0.6
67.05507	9.2
67.91524	0.7
69.07077	6.6
69.53211	3.7
70.06592	3.8
71.04990	0.7
72.08157	21.7
79.05479	2.3
81.07056	11.9
83.08629	4.4
84.08154	4.0
85.06563	0.9
85.08912	2.6
86.09688	1.7
91.05463	0.6
93.07040	2.9
95.04971	9.5
95.08600	8.5
96.08152	1.1
97.10166	3.0
98.09695	9.0
98.97629	1.5
98.98467	38.0
102.09196	2.8
107.08561	1.2
109.10153	4.6
110.09667	2.5
116.98594	1.8
116.99419	0.8
121.10113	1.1
122.09704	0.6
123.11714	1.0
132.26573	0.6
174.99278	3.8
176.98915	1.4
227.11790	1.4
292.26682	1.1
292.29947	11.5
293.30225	0.9
297.12149	0.7
299.14307	0.7
310.27402	7.8
310.30939	37.8
311.28067	0.8
311.31345	3.8
328.28555	7.3
328.32068	100.0
329.32397	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	328.3209
Annotation	D-erythro-Sphingosine C-20
Peak:m/z	Relative Intensity
53.73284	0.6
55.05510	2.8
56.05038	0.7
57.03437	6.0
57.07076	13.9
58.06601	4.2
58.74710	0.6
60.00963	0.6
67.05508	5.7
68.21471	0.5
69.07053	2.9
69.51666	3.2
70.06585	2.6
71.08634	7.3
72.08157	25.4
79.05498	4.0
79.38904	0.6
81.07058	22.2
83.08606	2.1
84.08142	6.0
85.06526	0.6
85.08942	3.5
85.10191	7.6
86.09697	0.8
93.07019	1.4
95.08044	1.1
95.08606	13.2
96.50520	0.6
97.10146	1.2
98.09698	1.4
101.79754	0.6
107.08621	0.8
109.10158	3.6
121.10210	0.6
124.11189	1.2
132.72003	0.5
143.21547	0.5
169.15869	7.5
265.25296	5.1
266.25677	0.7
273.96686	0.6
283.76401	0.6
310.31033	57.0
311.31366	3.6
328.32086	100.0
329.32373	5.7
344.72964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.3207
Annotation	N,N-Dimethylsphingosine
Peak:m/z	Relative Intensity
53.03932	0.4
53.74466	0.3
55.05514	5.1
56.05022	1.2
57.03197	0.4
57.03441	4.2
57.07067	1.0
58.06314	0.5
58.06601	9.1
62.01561	0.3
63.70827	0.3
67.05507	4.8
68.05830	0.4
69.07069	4.6
70.06573	1.2
71.04973	0.7
71.08623	0.9
71.29611	0.3
72.08157	9.3
74.06068	0.3
75.40113	0.3
79.05491	2.1
79.78376	0.3
81.07058	6.6
83.04977	0.8
83.08627	2.7
84.08146	3.1
85.06539	0.8
85.08945	1.5
85.10143	0.5
86.06114	0.3
86.09689	0.6
91.05476	3.6
93.07047	2.9
95.04973	4.9
95.08607	5.3
96.05283	0.3
96.08125	0.8
97.06539	0.9
97.10170	1.8
98.09694	3.7
98.98465	35.9
102.09177	3.5
105.07027	0.9
107.08601	1.7
107.09205	0.3
108.08125	0.8
109.10163	2.1
110.09688	1.3
111.11720	0.4
112.11240	0.4
113.09649	0.4
116.99515	0.9
117.07008	0.5
121.10159	0.9
122.09678	0.4
123.11673	0.4
124.11196	0.5
126.09140	0.6
128.10715	0.7
131.08589	0.5
135.11691	0.4
136.11293	0.4
142.12239	1.4
145.10146	0.3
149.13316	0.4
152.14374	0.7
158.15413	1.0
160.16743	0.3
174.99242	2.7
176.98889	0.9
242.23720	0.3
252.99574	0.4
270.44305	0.4
292.26465	0.8
292.29987	2.3
310.27359	2.8
310.30984	7.3
311.31323	0.5
328.26172	5.8
328.32074	100.0
329.22424	0.4
329.26440	0.6
329.28427	0.5
329.32397	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	329.1021
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05523	0.6
56.05031	0.8
58.06602	2.8
58.79783	0.4
59.06929	0.4
61.59303	0.4
67.05503	1.4
69.03436	1.1
69.07080	0.7
69.37527	2.1
70.06593	1.8
72.08150	2.3
74.06087	0.8
79.05476	1.0
81.07050	2.7
83.04988	0.5
83.08641	0.8
83.86981	0.4
84.08137	1.1
85.02892	0.6
86.09725	1.0
91.05472	1.7
93.07050	0.8
94.06531	0.4
95.04971	0.8
95.08611	1.8
96.08159	0.3
97.02938	0.5
97.10155	0.4
98.98467	100.0
100.98867	0.8
105.07030	0.8
105.47245	0.5
107.08606	0.8
107.88470	0.4
109.10143	0.8
109.39686	0.4
110.09682	0.8
115.03904	0.5
116.99499	2.3
117.07058	0.8
118.04201	0.6
119.04918	0.8
119.08593	0.5
120.06547	0.6
121.02875	2.3
121.10137	0.4
125.02390	0.9
133.04968	0.5
133.10155	0.7
137.06035	0.6
137.13200	0.5
140.01088	0.5
143.08577	0.9
153.01819	10.1
171.02905	1.4
174.99216	6.8
176.98904	3.3
181.01297	4.8
183.09393	0.4
184.69313	0.4
199.02379	8.3
211.06033	0.6
243.06557	0.6
250.99988	0.4
252.99786	0.8
270.05466	1.1
271.06012	8.9
285.07495	1.2
296.06805	0.9
297.07697	0.5
298.04605	0.5
299.05496	56.0
300.05856	4.4
303.13660	1.0
310.27438	2.6
311.24341	0.5
311.27744	1.8
312.28833	0.7
313.07129	1.3
314.07828	6.2
328.28424	2.9
329.10193	63.1
329.25061	1.2
329.28748	4.0
330.10428	4.4
330.13336	0.4
330.26459	1.0
330.30093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
54.75494	0.6
55.01863	1.1
55.05507	0.7
56.05031	1.3
57.03432	0.4
58.06595	2.0
59.04993	0.5
60.04528	3.3
61.02915	0.4
62.89848	0.4
68.05012	0.8
69.03429	3.4
69.57784	1.6
70.06594	21.5
71.04995	0.5
72.04480	0.6
72.08166	3.7
73.95796	0.4
74.06058	0.9
80.05015	2.1
81.03418	4.3
82.06583	0.9
83.01328	0.8
83.05013	0.5
84.04506	11.0
84.08144	3.1
85.02905	3.5
86.06024	0.4
86.09705	4.0
87.04469	1.2
91.05491	0.5
96.04491	14.7
97.02898	5.6
98.06052	11.3
98.06665	0.8
98.22617	0.5
98.98466	76.5
99.04434	2.6
100.07671	0.5
100.98911	0.5
108.04485	0.9
109.02199	0.7
109.02883	5.8
110.06050	1.2
110.07166	1.2
112.08746	0.7
114.05536	0.6
115.08681	0.7
116.07107	3.4
116.99513	1.5
119.04996	0.6
120.08112	1.8
123.04423	1.9
126.05514	26.3
127.03920	2.9
127.05929	0.6
128.10747	0.9
129.10251	1.1
132.04445	8.2
138.05501	100.0
139.05881	2.8
144.06558	21.4
144.27467	0.5
145.04915	1.2
146.11137	0.5
147.04433	0.6
152.07088	1.4
163.05949	0.6
168.06560	30.3
169.06883	0.5
174.99228	5.2
176.98976	2.4
177.00308	0.5
180.08763	0.8
186.07610	27.1
187.08032	0.7
188.09193	1.0
195.11328	0.6
211.14407	1.0
214.17885	0.5
217.11827	5.4
222.08051	0.6
230.10182	3.7
230.25153	0.5
240.08720	0.5
258.09726	3.6
287.12933	0.5
301.13919	15.6
302.14224	0.7
305.13904	1.1
324.85141	0.6
329.12238	0.7
329.15601	1.1
329.19232	1.4
330.14117	0.9
330.23160	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	329.1496
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
51.55299	0.2
53.03941	0.2
55.05520	0.2
56.05028	0.3
58.06594	0.7
69.07059	0.2
69.90609	0.2
70.06592	3.4
70.27162	0.4
70.27548	0.3
72.08144	1.2
73.08493	0.3
74.06080	0.3
74.74098	0.2
77.81689	0.2
79.05487	0.3
81.07063	0.3
82.06540	0.3
84.08133	0.7
84.51431	0.2
86.06104	0.2
86.09700	1.9
87.10023	0.5
91.05466	1.6
93.07046	2.3
95.04966	0.4
97.06529	0.7
98.98470	9.1
103.05471	7.1
107.04919	0.2
108.08076	0.2
110.09678	2.7
116.07104	1.2
116.99554	0.2
117.07397	0.2
119.04949	1.4
120.08105	100.0
121.08443	2.8
123.04421	1.5
128.10719	14.7
130.04991	0.2
136.07582	5.7
144.10223	0.2
147.04401	0.6
165.05482	2.4
174.99287	0.5
176.98914	0.3
182.08125	4.9
185.16600	0.2
186.16833	0.3
187.14445	0.3
215.13890	0.2
224.93782	0.2
229.15536	0.5
283.14453	0.6
301.77066	0.2
329.15085	1.6
329.21527	0.4
330.22806	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	329.1496
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
55.05500	0.4
56.05840	0.3
58.06604	2.1
58.25488	0.2
62.90179	0.2
65.03938	0.7
69.25125	1.1
69.25538	0.7
70.06595	15.4
71.06925	3.8
72.08158	3.1
73.08484	0.7
79.05477	0.3
84.08138	0.5
84.74690	0.3
86.09705	2.6
87.10064	0.5
91.05485	30.3
92.05829	0.4
93.07053	0.4
98.06017	0.3
98.98472	11.2
103.05470	0.7
107.04966	2.7
109.06519	0.9
111.49972	0.3
116.07075	0.6
118.06554	1.2
119.04948	20.4
120.05244	0.7
120.08109	12.4
121.06503	2.2
128.10724	0.3
129.10210	0.3
132.08023	0.5
136.07581	100.0
137.07930	2.7
146.05992	1.8
147.04399	1.7
147.96880	0.3
159.65118	0.3
166.08655	4.5
169.13365	0.9
170.13678	0.8
174.99200	0.7
176.98933	0.4
183.15062	0.4
185.16539	0.3
197.12952	0.4
198.13289	0.5
206.08170	0.7
207.25430	0.3
211.26068	0.3
212.14722	0.3
215.13879	1.5
216.14262	2.1
229.15466	1.6
230.15829	3.2
238.12297	0.4
283.14520	0.6
284.12918	0.5
291.21924	0.3
308.10696	0.3
312.12317	0.5
329.15253	2.9
329.22366	1.0
330.22745	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	329.2477
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03940	2.0
53.16934	1.5
53.62724	1.4
55.05511	20.9
57.07078	12.1
58.06596	3.0
67.05499	14.5
69.07068	13.2
69.58019	1.7
69.58312	8.3
70.06593	17.5
71.08631	2.9
72.08123	2.0
74.06070	6.0
77.64025	1.6
79.05496	11.8
81.07062	47.4
83.04984	3.6
83.08620	7.5
85.06553	18.5
85.10192	1.9
88.07625	15.1
91.05468	12.2
93.07042	26.8
95.08067	1.6
95.08614	24.7
97.06535	3.4
97.10162	2.3
98.23341	2.5
98.98468	45.4
99.04458	4.9
101.06022	5.6
102.09206	3.0
105.07036	29.1
106.08668	8.9
107.08595	39.3
109.06510	7.1
109.10164	18.7
111.08076	2.4
117.07034	4.4
119.08585	25.4
121.09288	3.0
121.10135	26.8
122.10528	1.7
123.08089	2.4
123.11721	6.5
127.07561	6.1
129.07013	2.9
131.04910	2.9
131.08553	20.0
133.10141	15.1
135.08002	1.6
135.11691	10.9
141.09053	1.6
141.46489	1.4
143.08601	4.0
144.09352	4.0
145.10139	26.8
147.11662	12.5
149.09586	3.8
149.13289	8.2
157.10156	9.4
159.11702	45.6
160.12103	3.3
161.13249	10.9
163.14748	3.3
166.26033	1.5
167.08601	1.6
167.10683	5.1
168.10684	1.5
169.10083	2.2
171.11710	4.6
172.12369	1.9
173.13284	20.1
174.99274	4.3
175.11183	2.7
175.14847	4.2
176.98965	3.0
181.12158	2.0
183.11568	1.7
185.13318	4.6
187.14818	11.5
189.16423	2.2
193.12376	1.9
199.14830	5.7
201.12694	1.6
201.16362	14.3
202.17026	1.7
203.17899	4.7
205.12250	2.0
209.09830	3.6
211.14879	1.8
213.16426	6.5
215.17966	31.6
216.18286	2.0
219.13765	4.1
219.21080	2.5
221.15294	2.5
222.42543	1.5
229.19574	6.7
233.15370	2.4
237.16420	2.6
241.15807	2.0
245.10632	1.7
247.16927	2.3
255.17360	2.0
259.16968	2.5
269.19025	3.3
269.22772	2.3
273.18509	4.6
293.22589	3.5
294.31470	2.4
311.23718	7.7
311.31458	4.0
312.32593	5.9
329.24759	90.8
329.32269	8.3
330.25327	9.1
330.33646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	4.9
55.05514	70.3
57.03437	14.3
57.07079	41.0
58.07430	1.9
61.78251	1.9
65.03962	2.2
67.05508	74.8
69.07070	79.5
69.07692	18.6
70.06586	7.9
71.08635	23.5
72.44038	2.1
74.06088	6.1
79.05499	53.4
81.07060	96.6
83.04987	3.6
83.08620	68.9
85.06524	3.5
85.10196	10.1
88.07629	9.6
91.05492	6.1
93.07046	67.1
93.07630	3.8
95.08611	67.4
97.06532	34.5
97.10175	46.1
98.98468	35.5
99.08125	2.6
102.09176	3.4
106.08678	4.7
107.08592	59.0
109.10162	30.6
111.08080	14.8
111.11729	11.9
113.09715	2.6
115.07554	4.0
115.11237	3.1
121.10146	100.0
123.11713	26.5
125.09605	5.8
125.13311	2.4
129.05522	2.4
129.09119	2.7
135.11697	72.5
137.13261	21.3
139.11189	7.0
149.13251	31.8
151.14854	2.4
153.12778	6.4
163.14833	14.8
167.14301	4.3
171.13861	2.8
174.99301	3.0
177.16425	3.2
212.74036	2.5
219.21083	87.0
220.21405	5.1
237.22124	48.0
238.22438	2.5
255.23029	4.5
311.25824	28.6
311.31308	4.0
312.26059	2.3
312.32538	4.8
329.32303	4.5
330.33658	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.3
57.07077	6.1
64.02788	2.5
67.05506	9.9
68.99795	6.3
69.07070	12.3
71.04995	6.2
79.05501	7.0
81.07059	28.6
83.08633	4.7
85.06567	3.0
91.05502	6.0
92.65405	2.1
93.07042	18.5
95.08607	33.7
97.10201	4.3
98.98469	100.0
99.08112	3.4
105.07023	18.4
107.08596	21.7
109.10167	20.5
111.00851	2.8
113.09661	7.0
116.99525	4.7
117.07035	2.4
119.08594	22.6
121.10133	22.4
123.11710	8.0
129.01860	22.1
131.08575	4.7
133.10117	16.9
135.11719	8.9
137.13237	2.7
139.00276	7.0
139.11156	2.5
143.08589	2.1
145.10153	9.3
147.11685	17.7
149.13275	8.5
157.01305	9.8
157.10205	3.7
159.11726	13.1
161.13231	16.6
163.14833	9.0
171.11705	2.5
173.13258	12.4
174.99275	9.1
175.14857	10.0
176.98822	2.1
177.16402	3.6
185.08145	7.9
185.13422	2.1
186.91199	2.1
187.14784	13.9
189.16406	12.6
199.14920	2.8
201.16446	6.4
203.17911	11.1
213.16400	4.2
215.17984	5.7
229.19487	2.5
241.19585	2.7
255.21030	4.4
259.14755	2.8
262.13910	1.9
269.22650	3.4
271.24249	8.5
311.27380	14.3
311.30865	2.8
329.22537	7.1
329.28348	32.6
329.32224	4.4
330.10098	2.2
330.28848	2.5
330.33688	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	330.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	3.5
56.96565	18.7
60.04512	1.4
60.05644	2.5
60.43007	1.1
69.03430	4.6
69.46646	6.3
70.06593	18.3
71.06941	1.3
71.95285	1.5
72.08163	10.8
84.04513	3.0
84.08145	62.1
84.96030	1.2
85.02876	1.5
86.09710	19.2
94.09911	1.1
98.23357	1.3
98.97595	64.2
98.98470	20.4
101.10782	2.2
110.07150	2.0
111.10441	1.3
112.08736	2.4
116.07100	3.4
116.98619	24.6
117.79691	1.2
127.08746	1.2
129.10242	43.9
130.04985	1.5
130.08672	3.6
134.99684	5.2
136.06186	100.0
136.26178	1.2
147.11322	2.4
156.07796	1.5
156.96597	3.4
157.13333	2.2
158.04924	2.0
160.06529	2.0
161.12906	1.4
172.08134	2.1
172.94406	2.3
174.97638	14.4
174.99034	1.7
175.11884	1.9
175.97676	1.4
190.95445	3.6
192.95079	1.3
192.98723	7.6
197.16469	2.3
198.97588	8.9
200.13977	2.2
200.99226	2.1
201.12476	1.4
206.07167	2.1
208.96429	1.4
213.01585	1.4
216.98706	80.9
217.98927	3.1
218.15097	1.5
232.96439	3.0
234.96074	3.8
234.99748	99.9
235.99957	5.1
237.00310	1.3
242.18851	1.4
252.97391	2.3
253.00919	3.0
256.68692	1.9
270.08301	3.0
274.97623	1.5
284.60742	1.4
288.09311	1.6
300.06046	1.6
306.96674	3.1
312.05954	10.8
330.07074	94.0
330.19437	2.9
331.07138	7.1
331.23920	11.4
348.08231	76.9
349.08569	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	4.0
57.03441	0.7
57.89640	0.3
58.06605	2.7
60.04513	0.5
67.05473	0.5
68.05042	0.5
68.99047	3.0
69.07092	0.8
70.06594	100.0
71.06927	1.2
72.08157	3.3
74.06081	13.0
79.05501	0.4
81.07071	0.7
83.06080	0.6
84.04509	5.8
84.08146	3.9
85.02936	0.3
86.09708	18.2
87.10046	0.5
91.05486	0.9
93.07085	0.6
93.45753	0.3
95.04985	0.4
95.06120	0.6
95.99688	0.3
97.06553	0.8
98.06057	0.5
98.23318	0.6
98.98474	9.9
101.07142	2.5
102.05536	1.0
103.05457	0.8
104.05843	0.7
105.07097	0.3
107.08595	0.4
107.69342	0.3
110.07159	0.6
110.09695	2.1
112.08766	0.9
114.09184	0.4
115.08683	0.5
116.07091	13.3
120.08109	9.6
121.07658	0.6
121.08456	7.5
126.09166	1.2
127.08640	1.6
128.10722	8.5
129.06619	0.7
129.10239	2.8
130.05028	0.7
132.10214	1.7
133.06479	0.4
134.09563	0.4
136.07588	1.4
137.07945	0.5
142.12294	1.1
143.11778	1.7
144.06557	2.9
144.10248	0.6
153.10243	1.6
155.08185	1.4
157.09671	0.4
157.10890	0.4
161.09187	2.5
171.09811	0.5
171.11279	9.1
171.12640	0.5
173.12947	0.3
173.44411	0.4
175.11891	0.6
176.99007	0.4
181.09787	1.1
183.14969	0.9
187.14420	8.9
189.75723	0.3
197.12869	1.1
199.10777	11.3
200.11188	0.5
203.13977	0.4
215.13965	2.1
217.13022	0.5
229.15471	24.5
230.15723	0.8
233.14986	2.2
286.17987	0.4
304.16235	1.0
312.18640	0.7
312.22067	2.3
330.19830	3.8
330.23392	11.0
331.20425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25692	0.7
53.52082	0.7
55.01884	0.9
55.05503	1.1
56.05027	1.9
58.06602	5.2
62.08702	0.7
67.05501	1.5
69.03435	1.4
69.07059	1.3
69.81436	0.8
70.06591	2.9
70.81065	1.7
72.08172	5.3
74.80997	0.8
79.05489	3.2
81.07045	1.4
82.06579	1.1
83.07320	0.8
83.45672	0.7
84.08137	6.6
86.06068	1.3
86.09708	2.1
91.05486	0.9
94.06580	1.0
96.08128	17.1
97.06529	0.8
98.09694	2.1
98.98470	77.3
99.36307	0.8
100.98907	1.3
108.08121	9.9
110.09691	1.8
113.40641	1.0
114.09174	44.3
115.09538	0.9
116.99523	2.0
126.09164	19.7
126.10092	1.1
128.10730	9.6
131.05161	0.8
143.88408	0.7
144.10202	100.0
145.10515	2.8
166.69081	0.9
169.08403	1.7
173.04449	4.6
174.99242	3.5
176.98973	4.0
185.04271	2.1
252.67542	0.8
294.20645	1.2
294.24124	1.8
312.21671	2.3
312.25330	3.3
321.96268	0.9
330.22726	55.1
330.26434	30.1
331.13589	16.4
331.23010	3.0
331.26602	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	330.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33687	0.3
51.45171	0.3
52.62460	0.3
55.05515	0.4
56.05034	2.3
58.06600	5.6
60.04512	0.4
67.05488	0.6
68.05016	0.5
69.07061	0.6
69.57693	1.6
70.06593	18.6
72.08164	3.5
74.06083	2.8
79.05487	0.8
80.64037	0.3
81.07041	1.5
82.06579	2.1
84.04498	1.7
84.08150	4.4
86.08826	0.3
86.09709	5.8
91.05487	0.8
92.05810	0.3
93.07035	1.8
95.04952	0.6
95.07351	1.1
95.08632	0.4
97.06541	2.9
98.09672	0.4
98.22678	0.6
98.98465	8.9
101.07130	1.0
103.05462	1.4
104.05836	0.8
108.08112	1.8
110.09681	16.1
111.10040	0.4
112.08776	0.6
114.09169	0.4
116.07098	4.9
120.08105	17.6
121.08450	12.0
123.08077	0.6
126.09125	0.4
128.10716	100.0
129.10320	2.0
129.11064	2.7
132.10223	0.4
136.07564	1.1
137.07942	0.7
142.12291	0.4
143.11850	0.7
144.10164	2.2
155.11679	0.3
161.09320	0.4
166.05809	0.6
171.11269	2.2
182.08047	0.7
183.08446	0.7
183.14957	0.4
187.14412	2.9
199.10680	1.8
203.12172	0.7
215.13922	0.7
217.11963	0.7
229.15475	4.2
233.14972	0.4
252.17233	0.4
270.20700	0.5
285.04132	0.3
312.21722	2.0
330.22784	43.3
331.23340	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	330.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.05040	1.7
57.03428	0.5
58.06603	36.9
59.05018	0.3
59.06925	0.5
60.05622	0.4
67.05492	1.4
69.07072	2.8
70.06593	3.6
70.49270	0.3
71.20384	0.4
72.08158	3.4
73.06533	0.3
79.05496	1.9
80.84051	0.3
81.07067	1.9
82.06589	0.3
82.07383	0.3
83.04980	0.5
83.08626	0.4
84.08141	1.1
86.06071	0.5
86.09688	0.5
88.07620	0.8
91.05460	1.6
93.07059	1.9
95.04979	0.7
95.08611	1.2
96.08140	0.5
97.06548	1.1
98.38332	0.4
98.98468	23.0
100.07632	1.1
100.98882	0.5
105.07036	1.1
107.08585	1.2
108.08097	0.4
109.06539	0.7
110.09673	1.0
116.99493	0.6
117.07027	0.6
118.08693	0.6
119.08597	1.0
121.10117	0.4
123.08031	0.8
125.06011	0.6
128.10728	1.0
131.08516	0.8
133.10144	1.2
135.14963	0.3
136.06273	0.3
136.11215	1.4
137.05951	0.5
142.12282	0.4
143.07016	0.9
143.08563	0.4
144.10220	0.4
147.11720	0.7
149.68452	0.3
152.10703	0.4
155.16678	0.4
155.63115	0.3
159.11690	0.7
174.99243	0.8
175.99449	0.3
176.98970	0.9
294.20609	2.9
312.21707	4.4
330.22748	100.0
331.23022	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	330.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.8
56.05029	1.3
57.05822	0.6
58.06601	8.8
67.05506	1.0
69.07071	1.1
70.06590	3.9
71.29272	0.4
72.08154	100.0
73.08485	1.4
79.05488	1.2
81.07043	1.9
82.06568	0.4
83.04969	0.3
83.08636	0.9
84.04510	0.9
84.08134	3.0
85.06564	0.3
86.00713	0.3
86.06071	0.6
86.09703	14.2
91.05473	2.1
92.05829	0.5
93.07053	1.4
95.08608	0.7
96.08106	1.5
97.06535	0.5
98.98466	8.4
100.07615	0.6
105.07044	0.9
107.04967	0.4
107.08600	0.7
107.60324	0.3
108.08111	1.6
109.06522	1.1
109.08842	0.4
110.09683	0.9
111.08125	0.6
114.09166	2.3
116.07114	0.3
118.08729	0.4
119.04990	0.6
119.08644	0.3
120.08118	0.9
121.06522	0.6
121.08448	0.4
124.11230	1.2
126.09120	1.8
128.10706	0.4
129.10252	1.4
132.10202	0.7
133.10123	0.4
133.46774	0.4
133.49414	0.3
135.08060	0.3
136.07574	2.7
137.05969	0.9
137.07947	2.3
144.10191	6.6
157.87167	0.3
163.83466	0.3
171.14925	11.4
172.15262	0.4
176.98883	0.7
177.09074	0.3
183.04297	0.3
185.16519	5.8
198.11327	0.6
199.14424	4.3
209.11742	0.8
213.16055	2.6
216.12299	0.4
217.15588	0.8
231.17116	1.5
231.19220	0.3
252.19690	0.5
253.92400	0.5
294.20657	1.2
312.21655	3.6
312.25000	0.6
330.22720	57.1
331.17313	0.8
331.23019	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	330.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05512	1.4
56.05038	1.5
57.03454	0.6
58.06602	17.4
67.05508	1.9
69.03429	0.4
69.07071	1.3
70.06590	2.6
71.04983	0.6
71.05894	0.3
72.08156	85.6
73.08491	1.3
79.05500	1.3
81.07068	2.0
82.06588	0.4
83.05003	0.7
83.08624	1.3
84.08147	3.2
86.06061	0.7
86.09708	2.4
88.07636	0.8
91.05488	1.1
93.07037	1.8
95.04963	0.7
95.08607	1.7
96.08141	1.5
97.06544	0.6
98.09695	1.1
98.98466	25.0
100.07623	1.1
100.98910	0.6
105.07058	1.2
107.04969	0.6
107.08611	0.8
108.08125	2.2
109.06560	1.7
110.09676	1.2
111.08072	0.8
114.09161	0.9
116.99551	0.5
117.07062	0.4
118.08685	0.5
121.06495	0.5
121.10151	0.6
122.09701	0.4
124.11210	2.2
126.09132	3.2
126.09866	0.3
128.10750	1.0
131.08578	0.9
133.10219	0.5
136.11148	0.5
137.05994	0.8
144.10194	15.1
145.10344	0.3
156.10185	0.4
157.08530	0.4
159.01607	0.3
161.09518	0.4
171.14940	2.8
174.99211	1.1
176.98949	1.2
185.16565	0.6
199.14482	1.1
209.11780	0.4
231.16896	0.5
252.19560	0.6
253.92284	0.6
265.90680	0.4
268.22772	0.6
276.19519	0.7
286.23615	0.4
294.20596	2.0
307.61539	0.3
312.21729	7.2
312.25287	1.3
313.22156	0.4
330.22748	100.0
330.25949	3.9
331.17450	0.7
331.18781	0.6
331.23041	7.3
331.26855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2385
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
55.05515	6.8
57.05820	0.6
58.06602	1.0
65.37261	0.3
72.08157	100.0
73.08497	1.2
75.44252	0.3
86.09708	7.6
98.23463	0.7
98.98482	1.5
100.07655	0.4
132.10240	1.1
137.07895	0.4
142.39078	0.3
171.14925	32.1
172.15314	1.0
185.16542	3.3
199.12610	0.8
199.14427	14.0
200.14824	0.5
213.16042	1.4
231.17079	3.1
287.31790	0.4
293.71753	0.3
312.21902	0.4
330.22696	2.9
330.25894	0.4
344.50156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
57.03445	0.4
58.06593	0.8
67.05506	0.8
69.07072	1.0
69.39338	2.1
70.06588	1.0
71.04977	0.3
72.08141	2.0
79.05505	0.6
81.07037	1.8
82.06567	0.4
83.08595	0.4
84.08141	1.3
85.02876	0.3
86.09702	100.0
87.10041	1.7
91.05490	0.7
93.07035	0.7
95.08600	1.0
98.23329	0.5
98.98463	11.1
105.07052	0.4
107.08601	0.4
128.10681	0.4
129.10222	0.5
133.10095	0.4
146.11754	31.4
147.12073	0.4
157.13359	36.7
158.13716	0.9
173.04488	0.7
174.99271	0.6
176.98914	0.7
185.12846	12.4
190.05003	1.9
204.33940	0.3
210.95146	0.3
228.95518	0.4
239.35211	0.3
259.20148	3.3
271.09109	0.4
284.22287	0.5
285.11301	0.9
310.43195	0.4
312.25372	2.3
312.28613	0.5
330.22757	0.6
330.26346	5.2
330.29803	1.2
331.26761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08363	0.6
55.01865	1.9
55.05513	11.0
55.48320	0.6
56.05023	1.7
57.03429	2.8
58.06600	4.5
58.99585	0.9
59.04992	0.9
63.15744	0.6
67.05502	5.9
69.03421	1.2
69.07065	2.6
70.06586	2.6
71.04990	1.4
71.07373	0.8
71.29705	0.6
71.30033	0.6
72.08159	22.1
79.05495	6.7
81.07062	15.1
81.98566	0.6
82.06590	2.1
83.04981	1.9
83.08622	7.4
84.04501	3.1
84.08147	6.1
85.01099	1.1
85.06574	0.9
85.08932	2.4
86.00655	1.0
86.06042	0.7
86.09698	9.1
91.05469	1.9
93.07067	5.1
94.06519	0.6
95.04978	1.0
95.08045	1.0
95.08610	13.3
96.08145	0.8
97.06541	0.8
97.10169	7.8
98.09697	3.7
98.60773	0.7
98.98475	13.9
100.07607	1.0
100.11259	10.0
105.07047	1.8
107.08588	4.4
109.10166	2.5
110.06069	1.3
110.09684	1.3
111.04475	1.1
111.08064	1.0
112.13896	0.6
112.77190	0.6
113.04241	1.3
119.08578	1.1
121.02855	0.6
121.10153	2.6
123.08104	1.3
124.11275	1.1
125.09659	4.7
127.03939	0.8
128.07060	1.2
128.10722	0.7
130.05016	2.4
131.08504	0.6
133.10123	1.0
134.29407	0.6
135.08076	1.1
135.11696	0.8
146.11752	1.8
147.07631	0.9
151.84167	0.6
156.08405	2.9
157.13368	2.4
182.15422	2.8
185.12906	1.0
189.11232	2.2
201.08730	0.6
209.16504	2.1
210.14917	3.4
213.16371	1.0
218.17056	1.0
226.19180	2.7
227.17633	0.9
231.17508	2.1
249.18538	6.7
253.09752	1.1
294.16763	0.6
294.24261	1.1
295.10800	0.9
312.25339	46.9
313.11884	1.5
313.25742	3.8
326.27872	1.4
330.14899	2.3
330.26379	100.0
331.26761	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	330.2639
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
55.01862	1.0
55.05509	6.4
56.05035	1.5
57.03436	1.5
57.07080	0.8
58.06601	5.5
67.05504	9.1
69.07071	7.4
69.39806	3.9
69.65844	0.6
70.06592	14.8
71.04987	1.3
72.08162	5.0
78.71139	0.8
79.05489	3.5
81.07058	14.3
82.06594	0.9
83.04984	1.2
83.08600	3.1
84.04504	2.0
84.08145	5.1
85.02908	3.2
85.06556	2.0
86.09706	89.4
87.10036	1.9
91.05484	1.8
93.07044	3.9
95.04974	1.1
95.08610	10.5
96.08113	1.7
97.06535	1.7
97.10164	1.7
98.09713	1.2
98.98467	24.1
99.04464	1.1
102.05538	1.4
105.07032	2.8
107.08585	3.2
109.06512	1.2
109.10150	4.4
110.09686	2.2
112.11260	2.3
114.09175	2.2
116.07090	1.5
117.07031	0.6
119.08578	1.1
121.09399	0.5
121.10117	3.0
123.08064	0.7
123.11694	3.5
125.09620	1.2
127.07565	0.7
128.10722	8.3
129.10191	0.8
130.05000	1.4
130.08598	1.0
138.09116	1.2
146.11757	25.0
147.11691	4.5
148.06061	2.3
149.13300	0.8
155.14259	0.8
157.13365	29.3
158.13791	0.7
165.12793	2.0
173.04529	0.9
174.99203	0.7
176.98917	1.2
179.85809	0.6
183.13786	4.6
184.16977	0.6
185.12866	11.3
191.84827	0.6
238.21896	0.7
243.22101	0.6
249.18478	0.8
250.25307	29.1
251.25613	1.0
259.20187	2.5
266.24789	33.6
267.25046	2.4
268.26352	10.4
269.26843	0.9
276.23193	1.4
284.25861	8.8
294.24323	7.2
312.25339	19.6
313.25656	1.1
329.86310	0.6
330.26382	100.0
331.26727	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05510	1.3
56.05032	0.5
57.03413	0.6
58.06598	2.8
67.05495	1.2
68.05016	1.1
69.03445	0.3
69.07066	1.7
70.06590	3.5
70.88808	0.6
71.04987	0.3
72.07804	0.4
72.08152	4.9
74.06071	0.4
79.05488	5.3
80.05016	0.4
81.05795	1.6
81.06206	0.3
81.07034	1.0
82.06571	0.5
83.04940	0.4
84.04478	0.4
84.08142	1.8
86.09704	16.2
88.27312	0.3
91.05473	0.7
93.06474	0.4
93.07038	1.0
94.06565	2.2
95.04944	0.4
95.08590	1.0
96.08128	34.0
97.06532	1.0
97.08449	0.4
97.40820	0.3
98.98466	13.6
100.07585	0.3
102.09202	0.3
105.07014	0.7
107.08605	0.7
108.08105	0.8
109.06566	0.4
109.10165	0.5
110.09625	0.4
114.09161	100.0
115.08791	0.5
115.09500	2.0
116.99450	0.3
120.08094	0.9
121.08438	0.3
121.10147	0.5
122.09635	0.3
123.04449	0.6
127.03870	0.5
129.10249	1.8
133.10115	0.5
144.10178	2.5
173.01721	0.3
174.99203	0.6
176.98973	1.0
177.09123	0.5
178.08659	0.5
179.79387	0.3
199.07216	0.3
199.18040	3.7
209.11685	0.4
217.15381	0.5
227.17653	0.8
294.24243	0.6
312.21820	0.7
312.25339	1.8
330.16119	1.4
330.23483	2.4
330.26468	40.4
331.26776	2.8
336.72385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31319	2.2
53.05831	2.1
55.05503	9.6
57.03432	9.7
57.07068	10.0
67.05502	7.2
69.28072	14.5
70.06596	15.4
71.08632	8.3
79.05505	4.1
79.14480	2.3
80.55384	2.0
81.07063	9.1
83.08614	5.6
87.03941	2.7
87.04477	54.5
88.07640	23.7
91.05478	3.4
95.08630	3.3
97.10169	6.9
98.98475	100.0
101.06020	69.3
102.09195	9.2
102.49269	2.2
109.10169	4.1
125.09642	7.7
151.11177	2.4
174.99278	4.8
176.98929	5.6
189.11269	11.6
217.45706	2.5
256.26361	29.1
270.27875	4.0
277.21664	4.8
330.30035	94.9
330.33313	4.9
331.30396	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	330.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01878	0.2
55.05513	2.9
56.05037	5.2
57.03438	3.0
57.05824	0.3
57.07074	3.8
58.06598	100.0
59.06946	0.9
65.03949	0.4
67.05508	3.8
68.05051	0.2
69.07063	3.2
69.07414	0.3
69.62291	0.8
70.06595	2.0
71.05000	0.5
71.07394	0.4
71.08633	2.4
72.04505	0.2
72.08154	10.0
75.04498	0.2
79.05489	4.0
81.05798	0.4
81.07054	10.0
82.06577	1.5
83.05000	0.5
83.08616	2.0
84.08144	2.0
85.06567	0.5
85.08932	0.5
85.09705	0.3
85.10184	2.2
86.06087	0.2
86.09718	0.4
88.07627	1.0
91.05479	17.9
92.05835	0.6
93.07041	2.6
94.06590	0.4
95.04969	1.0
95.07359	1.3
95.08604	6.3
96.08156	0.6
97.06536	1.4
97.10188	0.7
98.09702	1.1
98.23296	0.2
98.98463	5.2
99.08088	0.2
102.09216	0.2
103.05486	0.5
105.07024	3.1
107.04951	0.3
107.08615	0.8
108.08125	2.0
109.10139	2.0
110.09681	11.5
111.08141	0.2
111.09989	0.3
112.11304	0.2
115.05460	0.4
117.07027	5.9
117.07839	0.4
118.07346	0.2
119.08628	0.5
121.06556	0.3
121.10120	1.1
122.09673	0.2
123.11707	0.5
124.11240	0.4
125.09618	0.2
126.12860	0.5
128.06268	0.4
129.06992	2.5
129.07863	0.2
131.08539	1.3
135.11716	0.6
136.11258	0.2
142.07872	0.2
143.08549	2.7
145.10158	0.4
157.10179	0.6
169.10141	0.2
169.15889	1.4
185.13258	2.0
187.16956	0.3
197.19093	0.3
203.14243	0.9
207.21127	0.2
225.22292	0.2
258.22171	0.2
263.23877	0.2
271.54514	0.2
276.27048	0.2
294.27890	5.6
295.27975	0.2
299.23566	1.2
312.29041	28.2
313.29346	1.9
330.28046	34.5
330.30447	8.3
331.27695	2.7
331.31458	0.2
354.69464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.1
56.05035	5.2
57.03448	0.8
57.05821	1.1
57.07085	0.9
58.06599	100.0
59.06921	1.3
60.04529	0.8
67.05505	14.1
67.10953	0.4
67.19599	0.5
69.07072	5.8
69.89493	0.5
69.98375	2.1
70.06602	2.8
71.04988	0.7
72.08154	8.5
79.05484	5.4
80.27432	0.5
81.07054	12.6
82.06593	1.8
83.04956	0.8
83.08629	3.7
84.08131	4.0
85.06541	0.7
86.06071	0.9
88.07634	2.0
91.05494	2.4
93.07042	3.7
95.04972	1.2
95.07358	0.7
95.08604	11.2
95.78243	0.5
96.08124	2.7
97.06541	1.0
97.08908	0.6
97.10172	1.4
98.06058	0.5
98.09689	0.8
98.98466	35.5
100.07619	0.9
100.98884	0.9
105.03445	1.0
105.07029	1.7
107.08617	2.3
108.08128	0.6
109.10160	3.7
110.09687	2.0
114.09165	1.3
116.99521	1.0
117.07005	0.7
118.37122	0.5
119.08597	0.8
121.10130	2.0
123.08133	0.7
123.11687	1.3
125.09619	0.8
127.68615	0.5
128.10724	3.0
133.10094	0.9
135.11696	1.0
138.88545	0.6
145.10182	0.5
172.18446	0.9
174.99205	1.0
176.98955	2.0
193.90323	0.6
226.09450	0.5
236.23645	0.9
276.26846	6.1
284.80414	0.6
294.27859	7.8
312.28937	34.1
313.29315	2.1
330.30014	92.1
331.18951	0.8
331.30377	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	330.3
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
53.03955	0.3
55.05510	1.7
56.05037	2.7
57.03437	2.0
57.07073	4.0
58.06599	100.0
59.06939	1.1
67.05515	3.0
68.92867	0.3
69.07058	2.0
69.37732	1.6
70.06593	1.4
71.08629	2.0
71.16417	0.3
72.08159	3.5
79.05501	1.3
81.05846	0.4
81.07058	3.8
82.06589	1.0
83.04970	0.3
83.08611	1.5
84.08161	0.5
85.10182	1.7
88.07630	0.6
91.05469	2.0
93.07037	1.7
95.07362	1.1
95.08608	6.4
97.06542	1.3
97.10198	0.7
98.22645	0.3
98.98515	0.5
107.08640	0.7
108.08125	1.8
109.10148	1.6
110.09678	10.2
117.07069	0.4
121.10184	0.6
123.11755	0.5
125.13324	0.3
135.11768	0.4
169.15901	1.5
179.47755	0.4
222.40927	0.3
289.70688	0.3
294.27921	5.7
312.23578	0.8
312.28961	33.1
313.29315	2.5
330.30341	19.7
331.30988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3002
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
53.22448	0.2
55.01871	0.3
55.05516	2.1
56.05032	0.7
57.03437	2.6
57.05818	0.5
57.07079	3.2
58.06603	1.0
60.04545	0.2
60.08120	0.2
61.80966	0.2
63.40265	0.2
66.68200	0.2
67.05504	3.3
69.07064	3.9
69.53143	1.0
70.06592	2.1
71.04993	0.6
71.07365	0.5
71.08631	4.6
72.08155	100.0
73.08507	1.3
73.89532	0.2
76.86673	0.2
79.05502	1.6
81.07065	4.4
83.05011	0.4
83.08621	1.8
84.08141	0.6
85.06535	0.4
85.10188	1.8
86.09708	2.0
91.05474	0.8
93.07050	1.5
95.04977	0.3
95.08606	5.5
96.08147	0.4
97.06528	2.0
97.10179	0.7
98.98460	6.5
100.07629	0.5
101.08379	0.2
102.09177	0.3
107.08618	0.9
109.06541	0.3
109.10158	1.4
110.09684	0.5
111.08104	0.3
111.11732	0.2
116.99553	0.2
119.08569	0.3
121.10152	1.3
122.09682	0.2
123.11710	0.5
124.11214	2.6
128.63115	0.2
135.11696	0.5
137.13287	0.4
144.10202	0.2
151.11201	0.3
155.14317	1.5
163.10080	0.2
176.99004	0.5
181.10162	0.2
183.17505	0.5
191.18039	0.4
197.19084	0.3
200.89346	0.2
220.12457	0.2
233.70755	0.2
253.87436	0.3
294.27887	2.8
306.03659	0.2
312.28955	18.6
313.29437	1.1
330.30017	60.6
331.26575	0.4
331.30359	5.0
347.01965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53376	0.2
55.05517	1.7
56.05038	4.9
57.03437	0.6
57.07079	2.1
58.06607	1.2
60.04528	12.0
62.38406	0.2
67.05511	1.6
68.05035	0.4
69.07070	1.6
70.06591	1.2
71.08634	0.8
71.29997	0.4
72.04523	1.5
72.08185	0.3
74.06083	100.0
75.06414	1.4
79.05499	1.0
81.07054	1.9
82.06592	0.5
83.04979	0.3
83.08620	1.1
84.08142	0.3
85.10171	0.4
86.06066	1.3
87.04482	0.4
88.07632	2.1
91.05484	0.9
93.07059	1.0
94.06570	0.5
95.08605	2.0
96.08096	0.4
97.10175	0.8
98.98466	6.6
106.08677	0.2
107.08633	0.6
109.10175	0.7
117.07041	0.2
119.08643	0.2
121.10135	0.3
130.08659	0.8
135.11711	0.3
176.98997	0.3
252.26959	0.3
254.28586	0.3
256.26544	0.4
264.26956	0.5
266.28491	0.3
270.28079	0.6
282.27942	2.4
282.31210	0.4
294.27930	1.3
300.29050	0.9
312.28995	1.7
312.32077	0.4
330.24344	0.5
330.30084	6.6
330.33722	3.5
331.30399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3004
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
55.01888	0.6
55.05510	3.7
56.05033	3.3
57.03443	1.9
58.06604	4.6
58.68936	0.4
58.87832	0.4
60.04533	0.5
66.03461	0.8
67.05504	6.9
69.07071	3.2
69.09282	1.0
69.09685	2.2
70.06597	5.4
71.05005	0.8
72.08155	5.0
73.07813	0.4
74.06091	0.5
77.18668	0.4
79.05491	3.2
81.03464	0.4
81.07056	10.1
82.06594	0.7
83.04985	0.5
83.08620	1.8
84.04512	1.0
84.08146	13.0
85.02917	0.6
85.06566	0.7
86.09706	47.8
87.10038	1.4
91.05499	1.9
93.07048	2.3
94.44545	0.4
95.04946	0.4
95.08611	7.3
96.08146	1.3
97.02884	0.4
97.06529	0.7
97.10181	0.9
98.09694	1.2
98.22646	1.0
98.98466	33.3
105.07018	1.0
107.04982	0.7
107.08596	1.8
109.10166	3.1
110.09719	1.0
111.08125	0.5
112.11253	1.8
114.09188	1.0
116.99535	1.3
117.07051	1.0
119.08580	0.9
121.10153	1.6
123.04427	0.4
123.08088	0.9
123.11703	0.5
128.10728	1.9
129.10254	1.8
130.08698	0.5
136.07599	1.2
146.11757	14.1
147.11868	0.5
157.13374	17.4
158.13722	0.6
173.04474	1.7
174.99226	1.7
176.98975	1.9
183.08038	0.5
185.12837	5.7
196.02383	0.5
208.05176	0.5
249.18550	0.6
250.25375	2.6
259.20178	1.0
266.24823	4.2
267.25073	0.4
268.26364	1.1
276.23083	0.5
284.25955	1.2
285.11285	1.1
294.24304	1.4
294.27927	2.7
295.10706	0.5
312.25327	6.1
312.28992	25.4
313.11545	0.5
313.26062	0.6
313.29282	2.5
315.08829	0.6
330.26361	22.6
330.30048	100.0
331.11597	0.5
331.26663	1.3
331.30289	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	330.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47311	0.5
54.95747	0.5
55.05509	2.0
55.09890	0.5
56.05024	2.2
56.25263	0.5
57.03425	2.2
58.06605	5.0
67.05508	4.6
67.57188	0.6
68.60589	0.4
69.07077	1.4
69.16570	3.7
70.06593	2.4
71.05012	0.6
72.08152	2.9
76.02258	0.5
79.05492	1.3
81.07068	4.5
83.08605	1.0
84.08148	10.0
88.07608	0.6
93.07028	0.8
95.08611	4.0
96.08122	0.8
98.23350	1.0
98.98470	46.1
107.08586	0.8
109.10143	1.2
110.09666	0.9
111.10496	0.6
112.11242	1.3
116.99500	1.3
121.10105	0.6
129.10213	0.6
160.97948	0.5
173.04549	0.7
174.99178	2.1
176.98990	2.2
186.36795	0.6
270.46152	0.7
294.27872	3.1
312.28964	23.9
313.29257	1.4
330.19559	2.0
330.30023	100.0
331.30347	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	330.3364
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
51.92565	0.3
55.05510	5.6
56.05027	1.5
56.95957	0.3
57.03168	0.4
57.03439	5.7
57.07076	4.4
58.06599	38.5
59.06919	0.5
59.83506	0.3
61.39612	0.3
65.03957	0.3
67.05502	6.0
69.07067	7.1
70.06590	2.1
70.43159	0.9
71.04980	0.4
71.07385	0.6
71.08627	1.9
72.08150	19.9
79.05477	1.4
81.07051	9.2
82.65633	0.3
83.08618	3.9
84.08125	3.4
85.06523	1.2
85.08923	2.0
85.10172	1.3
85.72076	0.3
86.09684	1.7
91.05499	0.4
93.07016	0.6
95.07333	0.5
95.08606	8.3
96.08118	1.3
97.06499	0.7
97.10175	3.1
98.09084	0.7
98.09692	7.7
98.98464	4.2
99.08029	0.4
102.09159	1.3
108.08096	0.7
109.10144	3.2
110.09693	3.7
111.11701	0.9
112.11239	1.4
123.11685	1.5
169.15863	0.6
172.17017	0.5
294.27927	2.2
294.31537	9.9
295.31888	1.0
312.28952	11.4
312.32578	35.1
313.29443	0.7
313.32864	2.5
330.30133	6.3
330.33624	100.0
331.33960	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	331.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78925	0.8
55.05513	2.5
56.05043	3.3
56.96565	1.9
59.01348	0.8
59.61824	0.7
60.04537	0.9
60.05651	1.6
69.03439	2.0
69.07088	1.2
70.06596	14.4
71.04998	1.3
71.28750	1.6
72.08158	31.4
73.02959	0.8
74.08497	0.8
81.03440	0.9
82.06583	1.3
84.04509	17.1
84.08144	100.0
85.02929	2.3
85.08459	1.0
86.09708	37.4
87.10075	1.0
95.06107	0.8
98.97575	2.0
98.98476	15.4
98.99108	1.0
101.07159	3.3
101.10798	3.8
102.05543	1.5
108.08121	23.3
110.97609	1.2
111.09228	1.2
112.08762	2.0
115.08707	3.2
116.07107	1.8
116.61180	0.9
124.07590	4.6
129.10243	99.9
130.05009	21.3
130.05922	1.5
130.08661	4.5
130.09598	0.9
130.93330	1.6
132.10257	1.7
134.06039	1.3
136.07625	2.8
143.08199	2.2
143.11848	3.3
144.10269	2.2
147.07654	27.7
147.11313	4.7
152.07074	18.1
155.11789	1.1
157.13382	13.6
161.12866	2.4
170.08147	2.7
171.11272	1.2
172.94368	4.5
175.11923	1.6
176.98878	1.2
183.14923	1.0
185.12889	4.1
189.12349	3.2
190.95335	2.6
200.13953	5.3
201.00961	1.0
215.14015	1.6
216.96992	2.3
218.15018	2.9
228.16969	5.4
232.14348	1.1
232.16606	3.7
242.14876	1.0
244.96533	1.3
246.94455	1.7
260.16083	2.0
260.19666	1.4
260.96005	1.3
264.95520	1.9
288.95395	1.7
306.96500	4.3
313.09753	1.0
314.12369	11.1
314.20633	1.0
331.07797	12.8
331.20416	5.3
331.23962	14.8
332.09705	0.9
332.13428	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.2
60.04514	1.3
60.05656	5.4
64.17431	0.8
70.06590	28.6
71.06937	1.3
71.28790	1.0
72.08156	6.2
77.00883	0.9
83.00968	4.3
84.04476	1.1
84.08143	3.5
86.09702	5.0
92.28471	1.0
97.07636	5.5
98.04545	1.1
98.06027	1.2
98.98463	76.1
99.27124	0.8
100.98865	1.2
101.00902	2.2
101.01976	4.8
104.10719	0.9
108.08138	5.3
112.03575	4.8
112.08755	2.0
113.00842	1.4
116.05606	1.9
116.07111	1.3
116.99475	1.6
118.04609	4.0
118.07175	1.2
119.01894	2.4
127.07112	1.4
128.05595	1.9
129.10246	1.9
130.03514	1.2
130.04642	3.4
131.01909	3.0
132.06183	1.3
136.06247	2.3
137.05682	1.2
140.06708	2.5
142.08273	5.2
144.05069	2.0
145.03467	3.1
145.08226	1.4
145.85469	0.9
146.06592	1.7
152.06941	5.5
153.05179	1.3
153.09901	1.5
154.08276	5.2
155.06644	10.0
156.05057	2.5
156.06842	1.8
157.10860	1.9
159.05060	1.0
159.10959	1.3
160.09358	4.7
163.04514	1.3
163.10963	1.2
168.06166	3.3
169.09346	18.3
170.07802	3.5
170.09322	1.7
171.04575	1.4
171.06163	3.2
171.10918	35.7
172.06467	1.1
172.09312	12.2
172.11035	4.5
173.07730	28.5
173.09235	1.3
174.06163	1.7
174.07838	3.4
174.99245	1.3
175.11955	2.7
176.04012	1.3
176.98903	3.4
177.00751	1.9
179.07765	3.1
180.06273	2.1
182.06616	1.8
184.06329	1.0
186.07323	2.0
187.05785	1.2
187.10413	14.0
188.10567	1.6
189.05920	1.6
189.11974	37.2
190.12105	3.6
191.06506	2.0
192.05093	1.9
194.08858	1.0
197.08838	26.6
198.07304	3.5
198.09088	1.9
199.04492	1.7
199.09329	1.4
200.04080	2.4
200.07446	1.1
203.04118	2.8
208.95825	0.9
209.07713	36.6
210.06090	2.7
210.07817	3.7
213.06671	1.5
213.39015	1.0
215.09901	100.0
216.08250	8.3
216.10104	9.9
217.09741	1.2
219.02066	2.4
225.07277	4.4
226.09203	1.4
227.03989	2.3
227.08768	31.0
228.03552	2.2
228.07097	1.5
228.09033	2.6
229.06758	2.0
230.05048	2.9
231.07718	2.4
233.10942	45.5
233.13300	2.3
234.11134	5.6
238.11484	3.8
241.11465	5.4
244.10284	1.7
245.04999	2.7
246.04582	3.2
249.08714	1.4
250.10257	1.4
251.09882	28.8
252.10187	2.1
253.06673	6.5
261.01050	1.3
267.09351	2.2
269.10953	14.1
270.11517	1.2
271.03058	3.1
271.07947	4.4
274.04288	1.1
277.00699	1.1
287.11966	1.1
289.04236	1.3
290.04214	1.1
295.08878	25.7
296.09070	2.4
313.04697	1.3
313.09744	28.8
314.04443	1.5
314.12552	1.8
331.06223	4.6
331.11005	20.9
332.05475	1.3
332.11209	2.9
332.24261	3.3
349.07434	6.1
350.06940	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	331.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
56.05037	0.9
57.03434	1.0
58.06593	4.7
60.04502	0.8
69.03430	2.7
69.07072	1.1
70.06590	2.2
71.04995	0.7
71.20628	1.2
72.08145	3.1
79.75101	0.7
81.03404	1.8
81.07067	0.8
84.08157	3.0
85.02891	2.8
85.24674	0.5
86.09704	7.2
91.05473	0.8
96.08094	1.1
97.02914	1.6
98.09688	0.9
98.98470	70.8
99.04491	1.0
100.98896	1.6
108.08116	2.9
114.09172	2.8
116.99505	2.1
126.09173	4.1
127.03922	1.8
128.10725	1.9
131.66962	0.6
132.07326	0.7
144.10188	18.4
145.10555	7.3
151.07668	0.8
169.08371	15.2
169.12305	0.8
173.04460	6.6
173.12843	3.4
174.99268	2.2
176.98952	5.1
185.04218	11.4
201.12350	1.2
203.05298	6.2
252.99773	0.8
257.39893	0.6
280.30414	0.7
314.23218	3.2
330.22653	1.8
330.26328	1.5
331.13635	100.0
331.22992	7.8
331.26752	2.4
332.13855	4.7
332.24304	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1902
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
53.03943	5.9
55.05511	3.7
57.03437	25.2
59.55985	3.2
65.03947	6.1
67.05510	34.4
69.07069	16.0
69.66513	12.2
71.05011	3.6
79.05482	6.8
81.03420	96.5
81.07053	10.5
89.48824	2.8
91.05494	8.7
93.07040	11.2
95.04969	100.0
95.08594	14.7
97.06537	8.9
98.22647	6.1
98.98465	21.7
99.04488	3.1
105.07038	8.2
107.04953	10.3
107.08582	20.3
109.06512	21.2
109.10160	41.2
111.08083	8.0
115.05495	3.9
117.07020	5.2
119.08597	14.7
121.06511	12.2
121.10149	11.1
123.04428	13.2
123.08052	11.5
123.11701	8.9
125.09635	9.7
131.08578	8.3
133.06476	4.4
133.10158	8.8
135.08067	6.7
135.11693	10.5
137.09616	6.2
139.07565	5.9
145.06503	9.2
145.10197	14.2
147.08095	6.6
147.11661	3.6
149.09566	3.6
151.07486	4.5
151.11189	40.5
155.08585	3.1
158.10989	5.1
159.08083	4.0
159.11765	3.5
161.09613	13.0
163.11157	5.3
163.14853	5.8
167.14357	3.5
169.10170	3.6
171.11713	3.6
173.09608	4.0
173.13292	19.2
175.11209	7.2
177.12828	4.3
179.10661	27.0
183.11710	5.4
185.09642	3.8
187.11217	8.1
191.10606	4.2
191.14304	48.7
197.09605	3.6
199.11160	3.9
201.12708	4.0
205.12253	11.1
209.15358	58.3
219.13843	5.4
225.12689	3.2
231.13812	4.5
233.11768	5.7
257.15195	7.9
271.16867	6.6
285.18417	7.9
295.16895	5.3
313.17941	19.9
331.19101	39.8
332.19238	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	331.1901
Annotation	Steenkrotin A
Peak:m/z	Relative Intensity
55.05513	9.3
56.17891	1.2
57.07069	5.2
58.06600	1.7
59.05005	1.9
65.02468	1.3
65.03963	1.8
67.05499	5.7
69.07070	18.9
70.05648	3.6
70.06587	1.1
71.08649	2.1
72.08151	1.8
79.05493	2.0
80.33956	1.4
81.07068	7.0
83.08631	7.0
85.06533	1.5
87.04472	1.4
88.07627	4.6
91.05485	88.3
92.05807	2.9
93.07045	4.5
95.04986	2.3
95.08610	15.6
96.08949	1.4
97.10168	2.1
98.98474	28.6
99.33769	1.4
103.05445	2.3
105.07044	3.0
106.06550	3.4
107.08607	4.9
107.97686	1.3
109.06545	1.7
109.10178	4.8
117.07019	1.8
119.08578	1.9
120.08112	2.4
121.10151	3.0
123.04437	1.5
123.11772	1.5
124.48709	1.2
129.07037	3.5
131.04936	9.6
131.08562	2.4
141.06982	2.6
143.08612	1.4
145.06497	2.9
147.04469	1.4
149.05992	7.2
155.08574	3.3
157.06462	1.9
157.10144	1.7
159.04424	10.0
159.08101	1.9
161.06017	4.4
161.09732	1.5
163.03854	1.5
163.07570	3.7
165.09138	3.5
166.07652	1.3
169.06523	5.0
171.11662	1.7
173.05988	4.4
175.07521	8.8
176.98865	1.8
177.05507	9.1
177.09123	1.4
179.07031	6.9
179.10629	1.7
181.10133	4.5
183.08109	4.9
183.11583	1.6
185.09581	1.8
187.07581	5.7
189.05476	2.7
189.09157	2.3
191.07048	3.5
191.10750	2.7
193.04857	2.1
193.08603	2.1
195.08066	2.0
197.06007	4.5
197.09634	2.0
197.13255	2.0
198.12727	8.3
199.11183	1.6
200.08401	2.2
201.09102	4.0
203.07111	3.9
203.10706	5.3
204.07924	1.5
205.05000	10.0
205.08566	9.9
207.10184	4.6
210.10379	1.7
211.07590	4.1
211.11185	5.0
213.09114	2.4
214.06219	1.8
214.10172	1.4
215.07080	4.4
215.10669	4.2
216.07759	1.9
217.08623	3.4
217.12285	6.8
219.10115	17.8
221.08087	4.2
221.11691	1.7
225.12709	8.6
227.10751	4.4
229.08611	3.3
229.12236	11.3
231.10175	18.4
233.08131	3.6
233.11667	7.6
235.09492	11.2
237.09180	1.9
239.10762	2.1
242.13023	3.6
243.10170	5.1
243.13835	9.9
245.11702	15.4
247.09668	32.5
248.10135	1.8
249.11263	2.5
252.11539	3.1
253.12225	10.7
255.10161	5.5
255.13802	3.1
257.11737	70.1
258.12112	3.5
261.11319	4.5
261.14890	2.6
263.12851	4.8
265.12082	1.9
267.14117	1.6
267.17468	4.1
270.12558	4.6
270.16171	4.9
271.13321	13.1
271.16483	2.6
273.15027	2.6
275.12741	9.4
284.29385	2.8
285.18454	16.4
289.14520	2.2
294.27756	1.4
295.17010	9.0
298.15622	1.8
303.19543	17.8
304.19791	1.7
312.31830	4.8
313.17990	51.3
313.32016	1.8
314.18524	3.0
330.32837	11.9
331.18988	100.0
331.26193	3.9
331.32980	6.4
332.19391	6.0
332.31628	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	331.2266
Annotation	Przewalskin C
Peak:m/z	Relative Intensity
55.05523	5.2
57.07074	6.1
67.05502	4.5
69.07078	8.6
69.08986	4.9
69.09386	2.9
70.06588	3.9
71.06946	1.2
71.08612	1.8
79.05492	1.7
81.07059	21.2
83.08602	4.9
85.10179	1.5
88.07629	5.4
91.05501	3.1
93.07052	3.1
95.08607	8.2
98.98466	26.1
98.99120	1.5
102.09199	1.7
105.07030	4.7
106.08672	2.6
107.08564	2.1
109.06486	1.1
109.10165	2.6
117.07024	1.4
119.08584	2.5
121.06519	1.3
121.10159	2.9
123.11707	61.4
124.12027	1.5
131.04932	1.1
131.08536	1.5
133.10101	1.9
137.05998	1.2
137.09624	1.1
142.03050	0.9
145.06525	2.5
145.10173	1.9
147.11713	1.4
150.03101	5.3
151.03879	7.4
151.69658	1.2
159.11711	1.3
161.06004	1.7
163.03993	1.1
173.06075	1.6
175.40619	1.0
176.98892	1.4
177.09145	3.6
179.07123	1.3
179.10657	2.8
183.08127	1.9
187.07581	1.3
189.07355	1.2
189.09058	1.9
191.10715	1.2
192.07999	1.3
193.08604	73.6
194.08972	3.1
196.07399	1.5
197.09637	1.6
200.08241	1.1
201.09178	2.8
203.10693	1.5
204.95213	1.0
205.08595	2.1
215.10632	1.2
217.12331	1.7
219.13779	1.0
221.11835	1.4
229.12448	1.2
235.13341	4.7
239.14375	1.6
243.13875	3.0
247.13289	1.5
257.15350	1.5
263.16467	1.2
271.16852	1.1
281.19238	1.7
289.18036	12.8
297.44766	1.0
299.20059	1.2
313.21552	2.5
313.33066	2.5
330.33984	2.3
331.22702	100.0
331.26331	11.1
331.33945	40.9
332.11984	1.1
332.23193	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	331.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.80746	0.4
55.05504	1.9
57.03428	0.5
57.07075	1.0
60.04513	0.5
63.02357	0.5
65.03936	2.4
67.05505	7.3
69.07072	2.1
69.83582	1.3
79.05498	5.4
81.07057	7.3
83.08618	2.1
84.08196	0.4
88.07613	0.6
91.05481	100.0
92.05792	2.8
93.07050	5.0
94.40279	0.4
95.04958	1.2
95.08608	2.7
97.06535	3.5
97.10178	1.0
98.98460	8.8
99.08097	1.1
103.05475	0.7
105.07045	5.7
106.06560	4.1
107.04958	1.3
107.08559	2.4
109.06515	0.8
109.10149	1.5
111.08076	3.3
115.05453	1.6
117.07020	25.1
118.07333	0.8
119.08580	1.5
120.08104	2.0
121.06523	1.4
121.10159	3.1
123.08049	0.4
123.11687	0.4
128.06235	1.5
129.07001	9.2
131.08566	13.4
133.10081	0.9
135.08029	0.6
135.11694	1.7
141.07025	0.7
143.08557	8.5
144.08957	0.5
145.10115	2.1
147.11693	0.5
149.13255	1.3
150.00865	0.4
150.93672	0.4
157.10130	5.4
159.11693	0.5
165.07045	0.8
166.07823	0.6
169.10034	0.6
171.11661	6.1
171.42894	0.4
176.98993	0.5
181.10130	2.8
182.20389	0.4
185.13260	5.9
198.12785	6.1
203.14378	1.8
253.19559	0.6
271.20575	3.0
295.20667	1.0
303.26740	0.6
313.32339	0.4
331.18054	7.9
331.26361	1.8
331.33554	2.0
332.18393	1.1
332.31833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33463	0.3
55.05521	2.2
56.05037	2.9
56.05278	0.6
56.96564	2.9
57.03406	0.4
60.04501	0.4
60.05628	1.4
61.02921	0.5
67.05506	1.9
69.03426	2.0
69.07045	1.2
70.06593	8.8
71.04965	0.7
71.28448	0.5
72.08154	14.2
81.03404	0.7
82.06567	1.1
83.06106	0.6
84.04507	3.7
84.08144	100.0
85.02900	2.4
85.06538	0.9
85.08479	2.2
86.09705	20.2
87.10027	0.5
96.08124	0.6
97.02883	0.8
97.07658	0.4
98.97592	8.3
98.98470	5.7
101.10780	4.5
102.05558	0.7
102.09167	0.6
102.96877	0.5
106.06555	1.5
108.08115	28.2
109.02882	0.4
110.06030	0.8
111.09245	0.8
112.07616	0.6
112.08701	1.8
115.08721	1.0
116.07108	1.3
116.98632	3.3
119.01946	0.5
123.06831	1.4
124.07596	4.6
127.08693	0.6
129.10237	78.9
130.04999	3.2
130.08612	3.4
130.10625	1.3
130.93335	0.9
132.10228	1.3
132.11119	0.4
134.06009	3.3
134.99683	0.9
136.06241	1.5
136.07579	4.6
137.06577	1.3
139.08725	0.8
143.11800	2.0
144.10191	3.3
147.07645	3.7
147.11305	4.2
152.07065	21.4
152.14362	0.8
154.08662	0.4
155.11792	1.9
156.96744	0.3
157.09756	0.6
157.10966	0.4
157.13383	3.5
158.09241	0.7
161.12852	3.8
170.08104	2.0
171.11339	0.6
171.15045	1.0
172.10783	0.3
172.89848	0.4
172.94324	3.2
174.97717	1.0
174.99168	0.4
175.12012	1.4
175.97859	0.8
176.93684	0.7
176.97409	0.5
177.00995	0.7
183.07745	0.5
183.11404	1.1
185.12935	1.5
185.16516	0.4
190.95418	2.3
192.98805	0.7
194.94859	0.6
197.16487	2.7
198.96031	0.4
198.97736	0.6
199.14455	0.7
200.13918	5.6
201.08862	0.4
201.12437	0.9
203.14076	1.4
208.96454	0.8
211.15701	0.5
216.97003	1.2
216.98878	3.7
217.98843	4.0
218.14990	2.9
218.94839	0.8
218.98479	1.8
219.02199	1.5
224.17737	1.2
225.16133	0.9
232.14233	0.5
234.99815	2.5
235.99893	4.7
236.95816	2.8
236.99477	2.1
242.18573	2.6
243.17131	0.5
244.96590	0.6
246.94470	1.1
254.96867	0.8
259.00018	0.4
260.19626	2.4
260.96030	0.8
264.95734	1.3
270.18399	0.4
283.57678	0.4
288.92841	0.4
288.95703	1.3
289.00952	0.8
306.96594	2.9
307.01929	0.8
313.06689	1.0
313.22528	0.7
314.09143	0.4
314.12354	10.2
314.21149	1.3
331.07263	5.5
331.23819	16.7
331.62521	0.5
332.07587	2.1
332.13425	12.9
332.24213	1.4
341.12811	0.6
349.04349	0.4
349.08295	5.5
350.04379	1.5
350.08456	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
52.88465	2.7
55.05503	12.9
57.03405	5.6
57.07077	100.0
57.53015	2.3
58.06604	3.1
67.05508	25.7
68.54330	2.4
69.07061	23.5
69.88450	12.3
70.95583	2.5
71.08634	71.9
75.04453	3.9
80.36515	3.1
81.07064	33.7
83.08614	23.0
85.10181	41.2
88.07600	5.0
91.05478	6.8
93.07063	3.4
95.08607	56.6
97.10167	13.9
98.98451	5.8
99.11713	4.5
109.10155	21.8
111.11675	3.2
111.41776	2.9
123.11706	11.9
128.05440	2.7
137.13242	7.1
176.19380	2.4
192.23079	2.7
239.23647	17.7
257.24652	7.2
287.18805	2.6
313.27344	52.9
314.27728	3.1
331.34039	29.9
332.33023	4.1
345.91217	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93931	1.6
55.05514	8.8
57.03429	6.2
57.07079	92.0
58.07419	4.4
67.05497	16.3
69.07071	16.0
70.06587	12.2
71.06912	2.3
71.08634	66.2
75.04501	3.5
80.57526	1.6
81.07057	27.8
83.08626	20.7
85.06510	1.8
85.10184	34.0
88.07650	11.1
89.07972	2.8
93.07027	2.5
95.08609	42.7
97.10195	10.8
98.98475	11.2
99.11729	3.9
102.09199	3.3
106.08657	9.9
109.10157	21.2
111.11694	2.5
119.08594	1.8
123.11689	11.2
124.11958	1.9
125.13329	2.6
137.13246	6.7
151.66377	1.5
160.00861	1.7
239.23711	15.9
257.24817	4.8
313.27365	43.2
313.33032	5.0
314.27716	2.8
331.33987	100.0
332.34238	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	331.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.4
56.28019	2.6
57.03430	8.0
57.07084	94.1
58.54216	2.7
66.88073	3.1
67.05508	28.3
69.07085	17.4
70.01152	10.0
70.06603	8.3
71.08638	70.0
72.08958	3.1
75.04495	3.5
75.63373	3.6
79.88631	2.5
81.07072	36.1
83.08640	23.8
85.10186	36.2
85.48125	3.0
88.07619	8.7
89.07980	3.8
95.08614	62.7
95.79280	2.6
97.10164	12.7
98.98481	67.9
106.08675	8.4
109.10167	30.7
111.11732	6.2
123.11705	10.6
125.13273	4.6
127.14934	3.6
137.13258	3.6
151.14838	3.6
159.86972	3.0
174.99187	4.1
235.22968	3.2
239.23697	19.3
257.24887	7.6
259.52966	3.4
313.27414	61.9
314.27893	5.0
331.09906	3.3
331.34048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.78444	0.5
53.03938	0.5
55.05507	0.6
56.05034	1.1
56.96561	3.2
57.03428	1.8
60.04515	0.8
61.02918	2.0
65.03936	0.8
67.05510	3.5
69.03431	6.3
69.07067	0.7
69.28106	0.4
70.00533	0.5
70.00867	1.8
70.06596	2.9
71.04987	0.5
72.08154	7.1
73.02911	1.6
73.08478	0.5
79.05499	1.6
81.03416	2.3
81.07063	1.2
83.04976	0.4
84.04507	1.5
84.08147	21.9
84.96030	0.6
85.02908	7.8
85.08485	4.1
86.09209	0.9
86.09706	11.1
86.74720	0.4
87.04464	1.8
87.10055	0.8
89.14323	0.4
92.05006	0.7
93.05775	0.6
96.08156	1.2
97.02883	3.3
97.24230	0.5
98.97581	5.4
98.98484	0.7
99.04486	0.7
101.00871	0.6
101.10818	0.6
102.05524	0.8
102.96851	0.5
104.10739	3.1
106.06560	5.7
108.08118	100.0
109.02870	1.3
109.08430	2.2
110.07139	0.6
116.98628	2.0
119.01913	0.8
123.06816	4.2
124.07600	18.0
127.03922	1.8
129.10240	13.9
130.08656	0.8
130.10617	3.5
132.10173	1.1
134.06007	11.1
134.99692	0.6
136.07574	13.5
143.11754	0.5
144.10228	0.7
145.04942	0.6
147.11403	1.1
152.07066	77.5
152.51540	1.1
153.07417	2.4
154.08658	1.7
157.13339	0.9
160.06390	0.6
161.03004	1.2
161.12727	0.5
161.52016	0.6
170.08107	11.1
171.14847	1.1
173.12871	0.6
174.97607	0.5
176.93654	1.6
177.00963	0.8
185.16563	0.8
194.94688	0.9
195.59456	0.5
200.13988	1.5
201.00883	0.6
201.08815	0.7
203.04079	0.6
206.07079	0.5
208.05013	0.9
212.95830	0.5
217.05516	1.4
218.94763	1.8
218.98520	3.3
219.01939	2.6
224.08095	0.6
234.99794	0.6
236.95757	4.3
236.99356	3.2
237.02940	0.6
254.96780	1.4
264.59091	1.1
273.59717	1.0
312.12817	1.6
314.09454	1.3
314.12341	35.1
315.12814	1.4
321.13406	1.7
330.13971	2.7
331.23578	0.6
332.06967	3.1
332.13425	42.8
332.24094	2.3
333.13699	1.7
340.62674	1.5
341.12793	1.3
341.62231	0.8
350.04147	2.0
350.08182	3.0
350.13593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
58.06583	0.6
69.04264	4.4
69.07057	1.4
70.06566	1.3
72.08160	0.8
74.96458	0.5
84.08137	1.4
86.09703	41.5
87.10040	0.7
88.03991	1.1
91.05471	0.7
93.07043	0.6
95.08607	0.9
97.38684	0.5
98.98465	3.6
105.07053	0.5
109.80043	0.5
113.10757	1.9
115.05433	0.7
117.05721	0.9
118.06535	0.6
120.08084	2.4
129.10207	0.7
130.06516	2.7
132.08093	12.3
132.09097	0.6
133.08403	0.6
133.79092	0.5
141.10214	5.4
142.06555	2.7
143.07303	3.4
143.08331	0.6
144.04401	2.8
145.05199	1.3
145.09995	0.5
158.08362	0.8
158.09703	0.7
159.08150	0.3
159.09171	13.9
160.07568	82.3
161.07919	3.2
170.06013	7.4
179.28734	0.5
187.08655	1.0
189.10234	0.9
202.08621	100.0
203.08934	3.8
219.11278	64.7
220.11543	3.0
272.17502	2.1
287.13828	0.5
296.10983	0.5
332.19482	7.7
332.27786	0.8
333.19958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
50.77163	0.3
56.05038	1.0
58.06590	0.6
58.11927	0.3
59.63968	0.4
67.45074	0.3
68.69199	0.4
69.07063	5.8
69.71880	0.8
69.72263	0.9
70.06596	2.1
72.08156	4.3
74.06064	0.4
83.06087	1.1
84.04506	1.6
84.08142	3.2
85.02907	0.4
86.09704	100.0
87.10038	2.2
98.98470	1.2
102.05559	0.9
106.05004	0.7
108.08162	0.6
110.07180	0.5
128.10748	0.4
129.10223	1.9
130.06517	0.6
132.08116	0.7
132.10194	0.5
142.08644	0.4
146.05966	0.8
152.07030	0.4
155.08127	0.6
157.13376	0.8
159.09239	0.3
170.06082	0.5
173.09215	1.0
185.16447	0.7
186.12437	0.4
188.07079	0.7
199.18047	25.5
200.18428	0.8
201.12392	2.2
205.09982	0.5
211.22528	0.4
215.14038	0.4
219.13388	5.4
227.17525	10.3
227.19672	0.7
228.17976	0.6
270.12552	0.4
282.39502	0.4
314.20313	0.7
314.23688	0.6
315.14484	1.2
332.17078	0.4
332.20740	0.9
332.24286	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	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.2
56.05040	12.9
57.03424	2.6
58.06603	22.9
67.05493	1.2
69.07079	9.6
70.06596	7.5
70.89246	1.7
70.89569	1.4
72.08154	51.4
73.04041	1.4
73.08478	1.2
74.06081	51.4
78.85168	1.1
81.07069	1.5
84.04491	10.5
84.08131	4.9
86.06085	1.2
86.09706	89.7
87.10041	1.4
87.54382	1.2
91.05415	1.6
93.07034	2.4
98.98467	2.2
101.07143	21.6
102.05525	1.7
107.08539	1.8
108.08103	1.7
110.09667	5.2
112.07656	1.3
112.11211	1.7
118.08609	5.6
128.10713	14.9
129.10223	6.2
132.10255	1.7
142.12286	10.0
143.11844	4.2
144.06567	1.6
144.10252	2.4
155.11771	2.9
157.49658	1.1
162.07561	6.2
169.13368	1.6
170.06082	1.8
172.42630	1.3
173.12859	100.0
174.13223	3.1
187.14418	28.7
188.14784	1.4
197.12907	3.2
201.12347	26.7
202.12785	1.6
215.13887	22.9
219.13422	22.2
231.17117	1.9
288.84549	1.4
296.22205	2.6
314.23462	6.1
332.24313	72.4
333.24643	3.3
354.72934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.34947	0.5
53.21079	0.4
53.47945	0.5
55.05510	0.7
55.48829	0.4
56.05031	1.7
56.15597	0.5
57.05824	0.6
57.15710	0.4
58.06600	12.3
60.04525	21.0
67.05494	1.6
69.07070	9.5
69.07427	1.0
69.26701	3.5
70.02956	1.2
70.06596	1.6
71.27532	0.4
72.08150	5.9
81.07047	2.1
82.06522	0.5
83.08602	0.8
84.08135	4.2
86.09704	100.0
87.05597	8.6
87.10017	2.0
91.05484	1.5
93.07043	1.4
95.04962	0.6
95.08582	1.5
96.08142	1.6
98.09694	1.1
98.23438	0.6
98.98465	1.8
100.11258	0.9
105.06585	3.0
108.08122	5.1
109.10162	0.8
110.09675	2.1
111.04475	0.5
112.11325	0.5
114.09173	1.1
119.04930	1.1
126.09145	6.0
128.10719	11.9
132.10199	8.6
144.10196	23.6
155.11864	0.8
170.06229	0.5
173.12854	87.1
174.13202	2.5
198.37845	0.6
201.12346	23.4
212.16437	0.5
215.03488	2.8
219.13399	10.7
267.16571	0.5
278.21204	1.2
296.22162	3.3
296.25540	0.9
314.23251	10.0
314.26807	1.0
315.23563	0.6
332.13925	1.6
332.24304	77.6
333.07550	8.0
333.24658	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	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.05038	2.1
58.06603	14.0
58.39336	0.6
59.84454	0.6
60.04528	13.2
61.77324	0.6
67.05511	2.5
67.99738	0.8
69.03434	1.1
69.07073	2.0
70.02957	1.0
70.06593	1.5
71.04987	0.8
72.08152	3.9
78.42193	0.6
79.05485	1.4
81.05833	0.7
81.07059	2.2
82.06595	0.9
84.04488	0.8
84.08148	4.1
86.09708	48.9
87.05592	8.5
87.10030	0.8
93.07037	2.2
94.06592	0.9
94.53471	0.8
95.08622	1.8
96.08144	4.1
96.08680	0.7
98.06062	3.8
98.09669	0.9
98.22546	1.6
98.98466	12.6
105.07050	0.9
108.08124	4.4
109.10204	0.8
110.09664	2.0
114.09211	1.6
116.07094	3.3
122.09669	0.8
126.09150	3.9
128.10696	5.6
132.10211	3.0
144.10202	15.4
151.07547	0.8
173.04547	0.9
173.12865	61.0
174.13237	1.5
201.12358	15.8
210.18567	2.2
211.13411	0.7
212.16437	0.9
238.18045	1.4
245.18614	1.4
250.21603	1.2
254.21173	1.1
266.21228	1.1
268.22644	1.0
278.21136	5.8
296.22238	16.3
296.25555	0.9
297.22339	0.9
314.23300	22.2
314.26846	1.6
315.09525	0.7
332.24326	100.0
332.27832	7.2
333.24548	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	332.218
Annotation	Val Thr Leu
Peak:m/z	Relative Intensity
55.05516	9.1
55.68481	0.7
56.05041	8.0
58.06599	8.7
65.02087	0.7
67.05495	1.2
69.01901	7.9
69.02243	1.0
69.07040	1.0
70.06593	2.6
72.08157	100.0
73.08491	1.1
74.06082	43.9
75.06427	1.0
81.03420	0.9
81.07033	1.2
84.04503	2.9
84.08144	1.8
86.06050	0.8
86.09705	22.5
93.07033	0.9
97.65259	0.7
98.98459	1.4
99.22240	0.7
101.07173	1.4
102.09142	0.8
105.07034	0.8
110.09696	0.9
110.93688	0.8
111.09223	2.2
120.07975	0.8
121.10117	0.8
128.10718	18.2
132.10210	10.6
135.11693	1.0
138.09152	4.8
140.61528	0.7
144.10280	0.9
155.11818	2.3
169.13300	1.0
173.12856	37.7
174.13239	0.8
183.11320	2.3
187.14418	5.6
197.13039	1.1
201.12347	36.0
202.12784	1.1
215.13914	3.5
233.14954	26.1
243.13414	1.5
245.96805	0.9
314.20706	2.6
314.23660	1.5
332.20572	1.6
332.24323	25.8
333.24582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.243
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
55.05505	0.6
56.05025	1.9
57.03426	0.5
58.06609	2.4
60.04519	0.8
67.05498	1.7
69.07063	1.6
69.77955	1.5
69.78301	0.4
70.06593	5.9
71.06937	0.6
72.08152	5.3
74.06056	0.4
79.05482	2.6
80.10520	0.3
81.07047	2.4
82.06587	0.9
84.04504	3.0
84.07684	0.6
84.08142	5.6
86.09702	76.6
87.10039	1.9
88.07639	0.6
90.05550	2.6
91.05474	1.3
93.07027	2.4
94.06622	0.4
95.04991	0.4
95.08607	0.8
96.08133	1.2
97.06519	1.6
98.98466	1.8
99.05573	0.4
102.05531	1.7
105.07013	1.2
106.05035	0.8
107.08601	0.7
108.08106	1.5
109.06471	0.5
110.07154	0.7
110.09676	7.6
111.10488	0.5
112.10520	0.7
112.11243	8.2
114.09167	0.8
119.08577	0.5
120.06555	0.4
120.08131	0.5
126.12825	0.5
128.10712	29.9
129.10199	0.9
129.11076	1.1
130.06506	0.9
131.08540	0.4
133.10133	0.7
140.76524	0.4
144.10262	0.5
146.05940	0.4
147.11671	1.1
148.06024	0.6
151.95792	0.4
157.13333	2.1
167.07153	0.5
170.11784	0.6
185.12889	1.0
185.16496	2.4
197.12868	1.4
199.18044	19.9
200.18407	1.1
201.12331	1.9
213.16014	1.1
215.13902	1.4
219.08073	0.7
219.13448	2.9
225.12207	0.5
227.17552	6.4
231.16145	0.4
234.22202	0.7
236.20064	4.1
252.23262	1.6
254.21107	5.5
261.14368	0.4
270.24173	1.2
272.22174	4.1
286.19580	0.4
296.22189	2.7
314.23373	8.8
315.14581	0.7
315.23486	0.6
332.24283	100.0
333.24570	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	332.2431
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
53.26814	0.2
55.05507	0.5
56.05037	1.4
57.03436	0.5
58.06604	23.1
59.05001	0.2
59.06920	0.3
67.05208	0.2
67.05515	1.8
69.07066	0.6
69.65068	0.8
70.06585	1.3
71.04987	0.2
72.08157	3.6
73.05312	0.2
76.21722	0.2
79.05495	1.7
81.07062	2.5
82.06577	0.3
84.08128	0.6
85.06524	0.3
87.06820	0.2
88.07626	0.8
91.05500	1.0
93.07036	1.5
94.10947	0.2
95.04942	0.3
95.08626	1.9
96.08118	0.6
98.98466	0.6
100.07590	0.5
105.07042	0.5
107.08597	0.7
108.08121	0.4
109.06471	0.2
109.10127	0.3
110.09690	0.5
111.35204	0.2
117.06995	0.2
119.08583	0.6
121.10139	0.5
128.10710	0.4
129.07008	0.3
131.08519	0.2
131.31755	0.2
133.10126	0.4
135.11670	0.2
137.09616	0.2
144.10185	0.2
145.10118	0.3
161.13181	0.2
168.17470	0.4
170.15399	0.4
198.39485	0.2
208.20616	0.4
210.18567	0.6
230.17456	0.5
234.22189	0.7
236.20128	3.7
236.22433	0.3
237.20425	0.3
252.23230	0.9
254.21133	2.5
270.20746	0.7
270.24261	5.8
271.24554	0.4
272.22205	9.6
273.22440	0.5
278.21286	0.4
295.64594	0.2
296.22266	2.8
296.25555	0.4
307.31842	0.2
314.23264	4.5
314.26843	0.3
332.24307	100.0
333.24634	6.3
334.71191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21416	0.4
55.05507	1.0
56.05034	1.3
57.03431	0.7
57.05815	0.4
58.06601	30.1
62.30668	0.4
67.05505	3.2
69.07060	0.9
70.06577	0.9
71.04990	0.6
71.20322	0.5
72.08161	4.4
74.06088	0.6
79.05495	2.0
81.07052	2.7
84.04504	0.5
84.08144	2.1
86.09702	0.8
88.07617	0.4
91.05479	1.0
93.07030	1.9
93.34006	0.3
95.04980	0.8
95.08611	2.9
96.08149	0.5
97.06516	1.2
98.09682	0.9
98.98470	3.0
100.07616	0.5
105.07030	0.7
107.08592	1.3
108.08143	2.0
109.06493	0.8
111.08058	0.5
119.08562	1.0
121.10181	0.8
126.09153	2.0
128.10719	0.7
131.08582	0.5
135.11702	3.3
143.04163	0.4
144.10202	6.8
145.10168	0.8
145.73378	0.4
146.22141	0.3
163.11230	0.7
173.12888	0.5
176.98914	0.5
181.12276	1.0
197.72932	0.4
199.13440	0.5
212.16434	0.6
278.21088	1.2
296.22232	2.6
311.45862	0.4
314.23190	10.9
315.23575	0.9
332.09189	1.2
332.24295	100.0
333.24631	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	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05038	1.8
57.03431	0.9
58.06604	27.1
67.05520	2.3
69.03436	0.5
69.07063	1.2
69.23052	1.9
70.06576	1.3
71.04981	0.5
72.08162	4.1
74.06076	0.9
79.05503	1.6
81.07056	3.2
84.08165	1.6
85.06549	0.4
86.06022	0.3
86.09710	1.0
88.07640	0.9
91.05479	1.0
93.07043	2.2
95.04956	0.4
95.08608	1.7
96.08157	0.6
97.06538	0.6
98.98466	1.8
100.07640	0.9
101.07166	0.4
105.07039	1.0
107.08589	1.0
108.08103	1.6
109.06533	0.4
110.09672	0.4
110.89065	0.3
119.08585	0.9
121.10117	0.9
123.08074	0.7
126.09164	1.4
128.10741	1.1
133.10088	0.4
135.11688	1.5
136.06207	0.4
144.10201	4.5
145.10147	0.6
163.11197	0.6
164.19719	0.3
171.11726	0.4
173.12877	2.8
181.12151	0.6
201.12415	0.9
212.16455	0.5
215.13872	0.4
219.13342	0.4
252.19710	0.4
276.93182	0.3
278.21240	1.5
296.22202	3.2
314.23257	11.4
314.26913	0.6
315.23666	0.8
320.53238	0.3
332.24301	100.0
333.24664	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	332.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05508	1.1
56.05027	1.5
57.03442	0.6
57.05806	0.3
58.06599	12.5
67.05494	2.2
69.03415	0.4
69.07060	1.3
69.26131	1.4
69.26556	0.8
70.06590	1.3
71.04984	0.5
72.08154	17.8
73.08495	0.4
79.05486	1.1
80.05052	0.3
81.03386	0.3
81.07048	2.2
82.06590	0.6
83.08609	1.1
84.04501	0.5
84.08143	4.6
86.06069	0.5
86.09702	3.5
88.07615	0.4
91.05465	0.8
93.07039	1.1
95.04955	0.5
95.08587	1.6
96.08147	1.4
97.06535	0.5
98.09698	1.0
98.98458	0.5
105.07027	0.5
105.77628	0.3
107.08599	0.7
108.08113	5.3
109.10176	0.7
110.09685	1.5
119.08575	0.7
120.08086	0.3
121.10140	0.5
124.11259	0.7
125.02306	0.3
126.09148	6.7
128.10710	1.4
130.08626	0.6
132.10214	0.4
144.10188	26.6
145.10501	0.9
147.11682	0.4
149.13245	0.3
158.31815	0.3
173.12849	1.9
197.67552	0.3
201.12427	0.6
212.16483	0.4
215.03316	0.4
240.19524	0.3
254.21094	0.4
278.21155	1.3
296.22198	4.2
296.25473	0.5
314.23242	11.7
315.23569	0.7
332.24286	100.0
333.07635	1.6
333.24603	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	332.2582
Annotation	Kisantamine
Peak:m/z	Relative Intensity
50.51596	0.4
54.64430	0.4
55.05506	0.7
56.05030	0.8
57.03428	1.2
57.05816	0.5
58.06601	0.9
67.05496	0.7
69.51253	2.3
70.06589	2.2
72.08155	100.0
73.08507	1.2
74.31671	0.4
79.05492	2.2
81.05791	0.7
81.07060	1.4
84.08145	0.7
86.62771	0.4
90.91058	0.4
91.05481	8.9
93.07016	0.5
94.06548	0.9
95.08624	1.8
96.08132	14.5
96.08762	0.8
97.06556	1.0
98.98482	0.8
100.07655	0.5
105.07066	0.7
107.04983	0.6
108.08122	0.7
110.09679	0.6
114.09165	34.5
115.09537	0.8
117.07021	1.4
124.11234	1.6
128.10712	0.4
129.06996	0.9
131.08582	1.0
138.70036	0.5
143.08551	0.9
157.10129	1.5
157.64655	0.4
158.41875	0.5
175.11249	0.7
252.56714	0.5
302.09158	0.5
314.24747	4.4
332.25821	44.2
333.26169	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	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83085	0.7
53.03947	1.0
55.01876	3.7
55.05273	0.9
55.05509	10.8
56.05020	0.9
57.03436	5.3
57.07065	2.2
58.06586	1.8
59.65570	0.6
65.03899	0.9
67.05500	21.6
69.03387	0.9
69.07066	20.6
70.06590	19.1
70.57359	1.8
71.04986	6.1
72.08165	0.9
72.62673	0.7
74.06076	1.7
74.76488	0.6
79.05488	17.5
81.03369	1.1
81.07052	22.7
82.06585	2.5
82.07397	0.9
83.04986	4.7
83.08611	4.8
84.08138	3.0
85.06529	2.3
86.09702	1.0
91.05470	8.5
93.06467	1.5
93.07037	21.5
94.06534	1.0
95.04961	3.4
95.08600	18.7
96.08134	5.2
97.06550	5.3
97.10152	2.9
98.09669	3.5
98.98496	3.7
99.08125	0.9
105.07027	6.0
107.08589	17.2
108.08117	1.5
109.06499	1.6
109.10136	8.3
110.09684	7.6
111.04435	0.8
111.08072	2.1
112.11243	2.1
114.09156	2.6
119.08559	3.8
120.08102	1.8
121.06556	0.9
121.10130	7.6
122.09651	1.1
123.04418	1.3
123.08083	1.2
123.11687	1.9
124.11218	13.1
125.09608	7.7
131.08566	1.9
133.10126	3.7
133.42717	0.7
135.08081	0.7
135.11694	4.2
136.11148	1.9
139.11165	3.3
145.10100	3.3
147.11662	2.5
148.11194	0.9
149.09689	1.0
149.13277	2.0
151.11221	0.8
154.12239	3.2
159.11646	1.0
161.13156	0.9
163.11208	1.2
167.14287	1.1
173.04308	0.7
173.13182	1.0
207.17447	1.3
211.16922	0.9
216.93019	0.7
243.21063	0.7
257.07831	0.8
261.22095	2.4
276.23190	1.1
278.24786	9.7
279.22961	3.7
296.25815	29.2
297.26138	2.3
310.62442	0.8
314.26862	100.0
315.27179	7.3
332.27960	95.1
333.28403	6.3
343.79758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2947
Annotation	N-Methylfuntumine
Peak:m/z	Relative Intensity
55.05506	2.6
56.05040	2.2
57.03450	2.1
57.07054	1.1
58.06359	0.4
58.06601	5.4
65.03935	0.9
67.05513	2.2
67.72098	0.4
69.07079	1.9
70.06596	4.5
71.06113	0.7
71.07349	0.6
71.51729	0.4
72.08146	2.5
72.84637	0.5
74.63886	0.4
79.05476	0.5
81.07062	3.3
83.08587	1.2
84.08144	11.6
85.06526	0.7
87.04469	3.7
88.07633	2.9
91.05482	21.5
95.08610	2.7
98.09664	1.4
98.98470	5.3
102.09164	1.2
105.07061	2.1
109.10121	1.3
112.11218	1.0
117.07016	2.1
131.08539	1.7
232.20526	0.4
256.26331	0.5
260.23752	0.5
270.27899	3.9
271.28372	0.4
277.10422	0.7
286.36707	0.5
314.28387	29.5
315.28796	2.7
332.29358	100.0
333.16724	26.0
333.29672	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	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57898	0.3
53.03963	0.6
53.79998	0.3
55.01849	0.4
55.05509	0.8
56.05042	1.8
56.96560	0.6
58.06596	0.7
60.04527	0.5
67.05506	0.5
68.05019	0.3
69.01151	0.7
69.01559	2.8
69.03426	0.9
69.07072	0.7
70.06599	5.0
71.04974	0.3
72.08160	5.7
73.08489	1.5
74.06068	1.1
75.55850	0.3
79.05491	0.9
81.03414	1.7
81.07066	0.7
83.06100	1.2
84.04506	4.6
84.08147	12.0
85.02916	1.2
85.04026	0.5
85.08464	0.4
86.09706	7.4
87.10055	1.9
91.05479	1.3
95.04977	0.7
97.02887	1.0
98.98463	2.4
100.98902	0.5
101.07132	0.9
101.10748	0.4
102.09177	2.1
103.05457	0.5
103.09526	0.8
105.07068	0.5
107.04955	0.6
107.08604	0.4
107.45139	0.3
109.02827	0.6
110.07155	1.4
111.00840	0.6
111.04462	0.7
116.07105	1.0
118.06548	0.8
119.04930	0.5
119.08396	0.3
120.08105	3.9
121.02869	0.6
121.08457	0.4
123.04449	0.4
125.02361	1.4
125.07093	0.7
128.10744	0.9
129.06630	0.4
129.10248	4.2
129.11095	0.7
130.06544	6.0
132.08092	4.3
134.08134	0.4
136.07617	0.6
137.05998	0.3
139.03998	0.4
139.05064	0.6
142.06522	0.5
144.08075	1.6
146.06021	3.7
147.04393	1.2
147.11388	0.4
153.01755	0.4
153.06624	0.7
159.09178	3.6
163.03889	0.5
169.07579	0.5
170.06046	1.9
171.09964	2.7
173.02414	0.5
173.12875	0.7
174.09732	0.4
174.11249	1.4
175.03851	0.6
185.16493	0.7
186.16840	0.6
187.08669	1.6
187.10765	0.8
187.14447	2.1
188.07091	7.4
188.12997	0.7
188.14807	2.3
191.03441	1.2
192.03426	0.4
197.07208	0.4
205.09708	2.1
209.04630	0.7
209.34816	0.4
210.04469	0.5
216.11343	0.7
216.14218	0.4
219.02946	1.2
225.10121	0.8
233.04428	0.5
237.03928	0.5
244.10704	0.4
253.09866	0.5
255.05112	0.9
269.06589	0.6
270.12360	2.8
280.11069	0.5
282.91827	0.4
298.11981	0.8
302.67102	0.3
315.06961	0.8
315.14386	0.9
315.23322	0.5
316.12839	2.8
324.18732	0.5
333.15186	100.0
333.21048	3.0
333.24515	3.6
334.15460	4.8
334.21820	0.5
351.12320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98257	1.5
53.46967	1.4
55.05505	1.3
56.05038	17.2
58.06586	5.7
60.04531	3.6
61.01136	1.8
68.05023	1.8
69.03426	2.9
69.07069	1.7
69.70242	7.2
70.06590	19.6
71.06123	1.7
72.08154	15.1
72.30369	1.3
73.08486	3.5
74.06073	13.5
79.05472	1.7
81.03412	2.1
83.06100	93.6
84.04503	80.6
84.08147	26.3
85.02911	7.6
85.08475	2.0
86.09702	45.9
87.05602	2.0
87.10055	4.6
88.03996	1.5
91.05460	2.9
93.07055	1.4
97.02885	4.3
98.09680	1.7
98.98461	12.0
99.04461	1.8
99.05563	7.5
100.07601	2.4
101.01669	1.8
101.07139	24.6
102.05533	2.2
103.05457	2.0
104.05339	2.5
107.04990	1.3
109.02913	2.2
110.07147	5.8
111.05616	2.1
115.05432	1.9
115.08662	1.7
116.07110	2.5
118.06522	11.3
119.04892	1.5
120.06593	6.1
120.08106	23.2
124.07588	1.3
124.11241	1.4
125.02340	2.7
125.07092	7.4
126.09148	1.9
127.03899	3.8
128.08208	3.5
128.10687	1.7
129.06596	5.6
129.10246	7.6
130.05029	2.9
130.06528	67.3
130.08601	3.1
131.06866	1.9
132.08087	34.8
136.07538	2.7
139.05023	6.2
142.06511	5.6
142.12265	4.1
143.11792	4.8
144.08087	12.5
145.04935	2.6
146.06010	42.4
147.04388	3.5
152.08224	2.3
153.06613	7.5
158.08369	2.8
159.09167	33.2
160.07498	1.7
169.07631	3.8
169.13275	1.7
170.06023	17.1
172.11551	3.2
175.08594	1.4
176.98921	1.7
180.08144	1.7
187.07230	1.9
187.08658	9.1
187.14410	48.5
188.07063	73.2
189.07318	3.2
198.09030	1.8
200.18207	1.4
205.09729	20.9
215.13919	13.8
217.13597	5.0
225.10291	8.8
230.12907	2.9
252.11292	4.0
253.09721	3.2
258.12509	1.6
269.13934	5.9
270.12335	32.6
271.12784	1.9
280.10907	3.4
298.11984	7.3
315.14487	100.0
316.12650	29.4
316.18347	2.7
317.13339	2.5
333.14828	3.3
333.18622	2.7
333.24658	18.3
334.21582	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	333.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96311	2.6
56.96571	30.8
60.91679	1.6
63.20381	2.2
70.47442	5.1
71.08607	2.3
71.95261	7.4
80.94885	1.9
84.96033	2.3
88.07628	3.2
97.96806	2.4
98.97550	2.3
98.98476	9.0
110.97567	13.0
123.01204	3.3
128.98613	21.8
141.02216	2.5
146.99657	12.4
147.03357	2.0
159.26572	1.8
161.01120	2.3
165.12621	3.2
195.09961	2.0
203.05940	3.0
263.09579	4.4
315.16263	53.5
316.16592	2.9
331.15781	3.7
332.31580	3.4
333.17267	100.0
333.32193	2.6
334.17563	10.0
351.18417	17.0
356.18936	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20704	0.8
56.05031	1.4
57.07076	2.3
58.06594	2.8
60.04523	0.9
68.99859	6.4
70.12685	0.8
72.08144	1.3
74.06079	1.8
86.06056	1.5
88.07632	15.5
91.24447	0.7
98.98483	2.5
104.07104	1.0
113.14106	0.7
123.17232	0.7
132.10201	3.5
162.11188	1.2
162.26445	0.9
166.10677	1.1
183.27248	0.8
186.47134	0.9
242.24785	15.5
247.13098	3.4
286.27438	5.3
315.19235	9.9
333.20346	100.0
334.20886	8.2
334.29523	50.5
334.33725	1.0
351.14822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72748	0.4
55.05513	0.9
58.06590	0.7
67.05494	1.2
69.07064	1.1
69.78160	1.2
69.78556	0.8
71.08613	0.4
72.04514	1.4
72.08157	0.4
76.26003	0.4
79.05487	1.2
81.07065	2.1
85.52981	0.4
91.05473	1.8
93.07054	1.3
95.04984	0.6
95.08586	1.2
97.06493	0.5
97.10173	0.4
98.98470	1.7
105.07027	1.5
105.32812	0.5
107.08576	0.9
109.10146	0.6
114.09151	0.4
114.21421	0.4
117.07034	0.8
119.08559	0.8
131.08534	1.0
133.10175	0.9
135.11707	0.5
165.12730	1.7
166.01595	0.4
182.15378	0.4
315.28760	0.7
333.20331	100.0
334.20688	7.6
334.27451	1.1
334.31155	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Xeniolide F
Peak:m/z	Relative Intensity
53.03935	3.2
55.01882	2.8
55.05508	9.8
57.03437	23.8
57.07072	2.3
58.06606	14.0
59.06951	2.9
64.58580	1.9
65.03937	4.1
66.45679	2.4
67.05501	30.6
69.03440	4.4
69.07069	14.3
70.06612	4.0
71.04974	2.6
71.29974	2.9
71.30328	2.4
72.08157	18.8
73.08488	3.7
73.49599	2.1
73.60043	2.0
79.05489	21.7
80.94847	2.4
81.03419	56.9
81.07056	31.5
82.03771	2.9
83.04988	4.6
83.08646	4.3
84.08140	3.3
85.06547	4.9
88.03937	2.2
88.07609	3.1
91.05479	100.0
93.07047	15.1
95.04966	66.9
95.08613	19.5
96.08117	10.5
97.06529	6.2
98.98442	3.4
99.08088	5.3
103.05474	2.2
105.07024	32.0
107.04977	6.0
107.08580	24.7
109.06513	21.0
109.10165	8.4
110.09684	7.8
113.05998	3.1
113.09630	2.4
114.09171	15.3
115.05436	3.4
115.09489	2.9
117.07014	57.5
119.08594	25.1
121.06522	11.6
121.10140	43.9
123.04417	5.6
123.08047	13.8
123.11773	2.4
125.09647	7.1
128.06256	5.8
128.10712	18.1
129.06993	23.1
131.05058	3.0
131.08574	17.7
133.06522	6.3
133.10152	19.8
135.08073	7.8
135.11691	14.5
137.06003	2.1
137.09628	4.5
141.05453	2.3
141.06982	3.5
143.08557	27.5
145.06453	14.9
145.10149	16.3
147.08058	8.8
147.11703	7.8
149.09624	8.3
151.07515	4.2
155.08562	3.8
157.10095	12.8
159.08064	5.9
159.11714	16.8
161.09633	8.4
161.13388	2.4
163.11171	29.9
165.09222	2.6
165.12595	3.3
169.10158	2.9
171.11765	5.6
173.09618	5.4
173.13229	7.7
175.11203	5.8
175.14778	17.4
177.09229	2.7
177.12756	6.6
181.12257	2.2
183.11707	3.4
185.09616	3.6
185.13240	25.7
187.11177	3.8
187.14807	3.4
191.14383	3.3
193.15903	16.2
197.13234	5.4
199.11189	5.1
199.14706	3.4
201.12721	4.3
203.14275	12.5
209.13303	4.2
213.12772	3.3
215.14381	4.7
221.15323	4.7
225.12756	3.3
226.13339	2.4
229.15897	3.4
239.14333	3.4
241.15904	8.2
255.17282	2.4
259.16962	7.0
269.19086	4.4
273.18494	4.4
279.17441	7.4
288.26190	3.5
296.88428	2.5
297.18536	24.6
298.25278	9.8
299.23682	6.5
315.19513	25.1
316.20416	3.7
316.26312	63.9
333.20514	51.1
333.26132	16.8
333.31610	18.0
334.21017	4.3
334.27341	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	333.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48526	3.9
55.05501	8.8
57.03432	24.1
57.07071	9.3
58.06584	8.0
65.16803	3.8
67.05495	34.1
67.54222	4.5
69.07057	18.9
71.08619	6.3
71.30207	5.8
72.04510	27.6
72.08173	10.4
79.05492	14.6
81.07053	36.4
84.08147	6.8
87.04439	6.0
91.05478	100.0
93.07044	15.7
95.04967	13.0
95.08614	42.8
95.45248	4.2
97.06499	7.6
98.98457	25.5
99.08096	5.8
105.07031	38.5
107.08597	11.1
109.06503	6.4
109.10144	10.8
114.09130	8.3
117.07008	76.6
119.08550	15.2
121.06507	7.5
121.10159	8.5
129.07014	24.0
130.67731	4.8
131.08553	31.7
133.10115	16.7
135.11633	4.3
143.08551	25.9
145.10089	12.2
151.77385	4.3
157.10075	6.3
159.11638	9.2
165.12775	34.0
182.15424	5.9
185.13210	22.3
193.04988	10.7
210.64105	7.6
220.16942	6.3
224.65674	18.8
236.20117	13.0
292.38950	4.9
310.14838	4.4
333.16641	31.7
333.20374	90.5
333.24496	12.4
333.29672	11.6
334.17148	5.7
334.20898	6.3
334.27359	15.5
334.30997	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01875	4.5
55.05511	19.2
56.96559	1.4
57.03160	1.2
57.03440	24.7
57.07069	1.8
61.57711	0.9
65.03950	4.7
67.05507	100.0
67.69617	0.8
68.05835	1.5
69.07074	14.7
69.12599	2.0
69.13003	6.8
71.04979	1.3
73.02923	1.9
79.05496	60.2
81.03426	1.3
81.07060	65.7
81.43158	0.8
82.07406	1.1
83.05003	1.9
83.08620	5.1
91.05485	32.7
92.05826	1.5
93.07045	54.6
94.07369	1.5
95.04975	5.4
95.08609	52.3
97.06514	2.0
97.10139	1.5
98.98460	3.7
103.03954	1.3
105.04501	2.0
105.06367	1.6
105.07032	19.1
107.07858	1.5
107.08595	28.5
108.08904	0.9
109.06528	1.5
109.10168	18.4
111.68204	0.9
117.07015	3.6
119.08579	16.4
121.10143	16.4
123.08041	0.9
123.11703	5.7
129.05487	19.6
129.06952	2.0
131.08578	4.5
133.10155	12.4
135.08014	2.4
135.11688	10.7
137.09598	1.4
137.13277	1.5
143.08577	1.9
145.10078	5.4
147.11699	6.7
149.09631	1.4
149.13243	3.5
151.11179	1.7
155.42163	0.8
157.10184	2.2
159.03525	0.9
159.11679	2.9
160.48102	1.0
161.13269	4.0
163.11150	1.1
171.11705	1.0
173.13274	1.7
175.11076	1.1
175.14772	1.1
185.13249	1.1
199.14801	1.4
217.19519	1.8
241.19368	1.4
259.20676	2.5
315.16455	1.0
333.17072	3.3
333.24268	42.9
334.24548	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	333.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83437	1.2
55.05492	2.1
57.07079	100.0
58.07410	2.4
65.42418	1.2
66.20805	1.2
67.05518	2.9
69.07075	4.9
69.91994	1.4
69.92339	5.2
71.08634	86.8
79.05505	1.3
79.94905	1.3
81.07051	2.5
83.08616	1.7
85.10185	45.0
85.90295	1.2
88.60125	1.2
89.06034	65.9
91.05487	3.5
93.07036	2.6
95.08619	3.4
95.34258	1.5
98.74182	1.2
98.98455	2.6
99.11736	5.4
105.07033	1.4
107.07080	5.3
109.10165	2.3
113.13288	3.6
114.45692	1.3
121.10183	2.0
130.08681	1.6
133.08603	12.4
149.46759	1.2
151.09653	32.2
165.12769	1.5
177.62132	1.3
211.41400	1.2
242.75165	1.2
261.63712	1.3
273.36584	1.3
333.16599	6.7
333.22427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	12.4
57.03421	4.6
58.06596	3.8
61.02919	3.5
69.03424	8.9
70.06596	12.2
71.04981	1.4
71.29382	2.1
72.08151	19.7
73.02927	2.4
74.06081	30.8
79.05488	2.9
81.03407	5.7
82.06612	1.7
84.04510	13.5
84.08160	8.0
85.02908	36.9
86.03226	2.4
86.06075	1.7
86.09708	23.0
87.05605	2.0
87.10051	2.7
91.03950	2.4
91.05470	18.5
93.07063	1.6
95.01279	1.3
97.02887	11.7
98.03259	1.5
99.04433	2.8
102.05523	2.2
103.05447	1.8
109.02840	4.5
110.07153	2.1
112.07604	17.2
116.07105	7.9
117.05727	3.0
119.04942	8.0
120.08118	10.6
123.05520	1.9
124.44743	1.4
127.03902	6.4
127.35570	1.2
129.10231	3.5
130.05022	1.9
130.06532	12.9
130.08630	39.6
132.08087	20.8
132.10214	6.4
133.08429	1.4
136.07550	2.3
137.05977	100.0
138.05446	5.2
138.06335	4.2
138.88766	1.3
140.07091	1.7
141.06555	1.9
142.06523	2.5
143.08131	2.9
144.08089	11.6
145.04938	11.9
146.05264	2.1
155.06995	5.8
157.09709	6.3
159.07744	3.0
159.09154	28.1
160.07541	2.4
163.05992	2.2
170.06021	12.4
173.12700	1.5
175.10783	20.7
179.07008	1.8
180.08566	2.0
185.09207	2.9
187.14517	2.0
187.17163	1.4
203.07051	1.4
203.10243	22.4
215.13916	1.8
219.18428	1.5
227.13599	1.4
231.11302	2.7
233.15024	6.4
272.15930	8.9
299.10214	2.5
316.21262	2.7
317.11301	15.2
318.11713	1.6
329.81088	1.5
334.13956	2.9
334.22345	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	334.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21416	0.8
53.41677	0.7
55.05514	1.4
56.05031	16.1
57.03443	1.0
57.69587	0.8
58.06596	7.5
58.47000	0.8
60.04526	6.8
61.01143	2.1
63.37903	0.8
68.05017	1.2
69.07059	2.6
70.02916	2.0
70.06589	13.0
71.08630	1.2
71.29790	1.1
71.30146	0.8
72.08154	10.6
73.04082	0.9
74.06077	31.1
79.05489	1.5
81.04522	1.5
81.07071	1.3
81.14651	0.8
83.06100	7.1
84.04498	15.2
84.06435	1.3
84.08158	5.0
85.02901	1.1
85.04828	1.5
85.08450	0.8
86.06056	3.6
86.09702	68.7
87.05560	1.1
87.10039	2.5
91.05496	1.7
94.32525	0.8
98.09699	1.8
99.05596	0.9
100.07619	3.2
101.07133	27.2
102.05516	5.3
103.05486	1.4
104.05307	6.3
109.06547	1.4
110.07195	2.6
110.09718	0.9
112.07602	1.1
116.07082	1.2
119.04916	2.1
120.06580	12.4
120.08080	13.8
121.08435	1.0
122.07150	12.0
123.05527	1.1
124.11239	3.2
126.09163	2.3
126.12792	2.4
129.10265	2.0
130.04996	2.5
130.06499	4.9
130.08635	2.6
131.06828	2.8
132.08133	2.0
133.08459	1.0
136.07565	2.4
142.12256	10.3
143.11772	8.0
144.04790	2.5
144.08055	0.9
146.06023	2.8
147.04399	4.2
147.06348	2.3
154.74495	0.9
159.07732	1.4
159.09184	3.6
160.09489	1.5
169.13380	4.8
170.05995	1.0
171.06348	1.5
172.09996	0.9
172.11505	5.2
175.10725	1.1
185.16562	1.0
187.07137	2.0
187.14404	100.0
188.07048	2.7
188.08871	0.9
188.14790	3.6
189.07410	2.8
192.11305	12.2
203.10292	1.1
204.10197	1.1
205.09761	1.5
215.13898	24.8
217.13675	13.9
218.13776	0.8
231.09743	1.7
233.14961	2.3
245.13235	2.0
255.13271	1.3
271.12604	2.0
316.14780	6.8
316.18658	4.8
317.13168	1.5
334.09131	1.2
334.13013	0.8
334.22226	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62194	0.6
53.03937	1.0
55.01869	0.7
55.05505	1.6
56.05031	3.6
57.03429	1.8
58.06316	0.8
58.06601	15.4
67.05508	4.0
68.05043	0.5
69.07068	1.9
69.30458	1.0
69.30862	2.7
70.06601	5.0
71.04987	1.1
72.07768	0.6
72.08154	7.5
79.05498	5.0
81.05793	0.9
81.07058	9.6
82.06578	3.4
83.04977	1.6
83.08614	0.8
84.08147	4.7
88.07622	1.3
91.05477	19.8
92.05781	0.7
93.07039	3.9
94.06582	0.6
95.04976	0.9
95.07346	2.0
95.08592	3.8
96.08114	3.3
97.06532	5.2
97.08931	0.6
97.10171	0.8
98.09698	0.9
105.07012	5.5
107.04953	1.0
107.08593	1.6
108.08127	5.0
109.10202	0.8
110.09680	26.6
111.10021	0.6
114.09164	4.2
117.07001	1.4
118.69619	0.5
119.08560	3.1
121.10120	0.8
128.10713	100.0
129.07034	1.8
129.11058	1.8
131.08551	1.4
135.11659	0.5
145.10155	0.6
147.11638	2.5
157.10152	2.9
158.20905	0.5
171.11592	0.7
175.11183	2.1
207.77209	0.5
225.94838	0.5
271.20490	1.0
298.25150	1.1
316.26340	23.5
317.26685	2.3
334.27362	78.9
335.27698	7.4
344.05789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01878	5.2
55.05269	2.2
55.05514	25.7
57.03439	26.8
57.07070	8.6
63.77503	1.2
65.03948	3.7
67.05505	100.0
67.49114	1.3
69.03435	2.1
69.07068	27.8
69.87257	2.9
69.87656	3.0
71.04992	3.1
71.08637	11.3
72.04517	65.5
79.05494	48.1
81.07057	89.0
83.04996	1.8
83.08607	9.9
85.06543	3.6
85.10309	1.3
88.07635	1.8
91.05481	27.6
93.07044	60.1
95.04969	18.1
95.08605	75.2
97.06537	5.4
97.10166	3.7
99.08115	7.2
100.07640	1.9
105.04547	1.9
105.07036	22.0
107.08595	29.3
109.06512	24.6
109.10155	25.1
111.08077	2.5
114.09151	15.6
117.07028	4.9
119.08581	12.0
121.06525	3.3
121.10147	19.0
123.08083	2.5
123.11708	7.6
128.10695	6.2
129.06982	1.5
131.08562	11.8
133.10141	13.0
135.08098	2.5
135.11700	13.3
137.09660	2.8
137.13275	1.8
142.12329	3.3
145.10139	7.7
147.11684	7.7
148.93178	1.3
149.09656	2.7
149.13228	7.7
151.14830	2.0
154.12271	1.6
156.13884	1.9
159.11687	2.7
161.13243	2.7
163.11235	1.9
163.14842	4.4
165.12750	87.0
166.13094	3.3
173.13289	9.6
175.11224	2.3
175.14862	2.2
180.13847	2.8
182.15421	12.7
184.13269	1.7
184.16989	1.9
187.14845	3.0
191.14340	7.1
194.15416	2.0
201.12871	3.4
212.16479	7.5
220.16989	10.3
229.19485	2.9
236.20084	30.4
237.20407	1.7
243.21054	2.0
253.19400	1.8
257.53928	1.3
261.22089	5.0
271.20615	3.9
289.21658	8.2
289.24390	1.3
316.26398	4.6
334.27432	31.4
334.31079	3.8
335.22055	2.6
335.25735	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
56.05042	0.6
57.03439	4.8
57.07077	1.3
58.06600	6.0
59.09090	0.4
65.03942	1.1
65.27040	0.4
67.05499	2.1
69.07072	1.8
69.86378	1.5
70.06586	6.0
71.04997	1.4
71.07362	0.7
71.08623	0.4
72.08154	24.7
79.05492	5.8
81.07056	19.9
81.26830	0.5
83.04979	3.6
84.08138	6.8
85.06501	0.6
85.08931	3.4
86.09714	2.2
86.35242	0.4
88.07637	2.1
91.05480	64.0
92.05831	2.0
93.06994	0.8
95.08609	1.6
97.06525	2.9
98.09703	2.8
98.22691	0.6
102.09185	1.1
105.03378	0.4
105.07003	2.1
107.04948	2.6
107.08578	0.6
109.10145	0.8
111.08093	0.5
115.05456	0.8
115.70770	0.5
117.07037	2.8
119.08580	0.6
121.10120	0.5
124.11224	1.0
126.12816	0.7
129.06995	8.8
131.08568	4.0
132.10207	1.8
135.11763	0.4
142.07832	0.6
145.10161	0.7
146.11754	1.5
155.08585	0.4
157.10124	13.7
158.10333	0.5
175.11172	7.5
193.23264	0.5
228.23221	3.2
271.20557	5.9
271.43539	0.4
272.23077	0.5
272.25836	7.3
316.26337	56.0
317.26678	5.5
334.27155	100.0
335.27548	9.4
347.01352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.7
56.96547	5.0
60.04510	2.1
69.07059	1.3
69.52565	2.9
69.52975	3.5
70.06589	8.9
70.99801	1.3
72.08144	2.7
74.06099	1.4
82.99866	3.8
83.06042	1.0
84.04478	1.5
84.08142	15.6
85.02895	2.9
86.09720	6.3
86.61251	1.2
87.10043	1.8
91.05479	1.5
94.99868	1.3
97.02881	5.0
98.97579	6.6
101.00259	2.2
101.00883	27.8
107.04999	1.8
110.07189	1.9
113.00857	11.2
113.07133	1.8
115.02411	8.0
115.08713	1.1
116.98585	2.5
119.01129	2.0
119.01924	31.4
120.01984	1.1
120.08125	9.8
123.05589	6.4
125.00895	1.7
127.02440	2.9
129.03972	3.3
129.10219	5.4
131.01906	22.0
131.05550	11.0
133.03468	6.4
136.06172	1.3
136.07567	7.2
137.00810	5.1
137.02914	2.3
138.05475	1.2
143.01901	75.1
144.02057	3.6
145.03493	9.9
147.05013	4.1
149.02940	1.9
149.06599	9.6
152.07205	1.2
155.01888	29.1
155.05515	3.6
156.02632	3.7
156.06506	2.8
157.03453	5.2
159.05008	4.1
161.02962	78.7
162.03093	3.2
167.05530	2.2
169.07185	1.6
171.05038	2.4
173.01479	2.4
173.02963	21.1
173.06595	33.8
174.03177	1.3
174.06668	2.1
175.04527	1.9
175.08191	1.8
176.07719	1.3
177.06093	4.0
185.03040	2.6
185.06598	41.5
186.06807	2.9
187.08180	5.9
189.00809	1.5
189.06290	1.3
191.07666	10.7
197.06630	2.9
199.08147	2.8
201.05957	1.8
203.02420	1.8
203.04033	13.0
203.07645	21.6
204.07761	1.8
205.09122	2.3
209.06657	1.9
215.07652	18.0
216.07840	1.2
216.98755	1.3
219.01822	1.7
219.07216	1.1
221.05061	27.6
222.05199	2.0
227.07666	7.1
233.08693	6.2
245.05177	2.1
257.08698	7.3
275.09772	54.4
276.09958	4.3
282.06732	1.7
289.10196	1.2
293.10818	100.0
294.11035	8.2
305.09738	2.7
312.07632	5.8
316.12451	2.0
335.11783	45.9
336.11890	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	335.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05501	2.4
67.05505	9.4
69.07058	2.8
70.06586	5.6
71.04995	1.6
72.08148	3.0
79.05487	3.4
81.07057	5.9
83.04971	2.4
84.08128	2.1
86.09692	1.9
91.05484	4.9
93.07043	4.8
94.06565	5.4
95.04957	2.8
95.08606	4.2
97.06506	1.3
100.11246	2.3
103.05486	1.0
105.07022	3.7
107.08570	3.7
108.08105	1.3
109.10144	3.2
119.08567	3.6
120.08096	7.6
121.02872	1.0
121.06497	1.7
121.10134	3.3
122.06030	14.7
123.04379	1.2
123.08033	1.6
129.10229	1.2
130.06496	1.2
131.08476	1.6
133.10094	2.9
135.08060	1.3
135.11731	1.1
136.07573	58.2
137.09573	2.5
140.07047	1.3
144.08112	2.6
145.10127	2.1
146.05975	1.0
147.08040	7.7
157.10103	1.2
159.08051	1.1
161.09639	1.2
164.07062	100.0
165.07388	3.4
168.84683	0.9
173.13268	1.3
182.08122	70.4
183.08429	2.5
204.12468	2.4
335.14423	2.9
335.21161	1.9
336.16440	1.8
336.20892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.8
58.07369	0.8
60.85767	0.6
70.06593	7.7
70.80621	1.0
70.80981	1.3
71.06914	1.9
72.08170	0.9
84.60130	0.7
86.09706	36.5
88.07629	2.5
89.07967	1.0
91.05486	0.8
93.07037	1.3
98.42611	0.6
102.09187	1.2
103.05470	3.4
105.00857	0.6
105.64304	0.6
106.61552	0.6
120.08103	100.0
121.06516	3.6
121.08453	2.5
128.10715	12.8
129.00130	0.6
131.04956	1.3
132.10254	2.1
133.10521	1.2
146.11752	2.1
147.12102	0.8
156.10207	2.4
163.07565	2.6
178.76576	0.7
180.10190	43.4
181.10561	1.5
228.23222	1.9
229.23512	5.2
255.47508	0.6
272.25912	2.9
273.26190	11.8
334.29608	0.9
335.29849	40.5
336.29996	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03427	2.6
57.07071	1.4
67.05507	9.8
69.07061	2.6
70.98885	3.0
79.05502	9.1
80.94869	3.5
81.07061	13.9
88.07644	4.2
91.05477	4.0
93.07032	8.6
95.08610	10.3
105.07024	3.9
107.08585	4.2
108.33430	1.6
109.10171	4.3
119.08650	1.9
121.10149	3.1
129.05556	1.8
131.08546	3.3
133.10162	2.4
149.13242	2.2
159.11655	2.5
166.42664	1.5
178.96048	1.5
224.09480	1.7
243.25270	2.8
281.73926	1.7
317.20914	5.7
335.21985	100.0
335.25827	11.6
335.30029	13.0
336.22220	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82499	1.1
57.59644	1.1
63.37928	1.2
69.75726	4.5
80.94827	3.0
81.07064	1.4
89.35264	1.1
93.07021	1.8
95.08585	1.5
98.72893	1.3
113.51495	1.2
130.01971	1.4
134.30696	1.2
147.11600	1.1
156.65665	1.4
164.92059	1.5
186.88240	1.2
195.09859	2.3
335.21930	100.0
336.21979	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
56.08900	1.0
67.05508	7.1
69.07055	2.0
69.60000	3.1
79.05483	3.8
80.94847	3.5
81.07059	6.9
83.08633	0.9
88.33489	1.2
91.05498	2.0
93.07047	3.5
95.08608	5.3
98.22664	2.0
105.07007	1.7
107.08582	2.7
115.00124	1.0
119.08614	1.7
121.10140	1.7
123.11694	1.1
131.08571	1.4
135.11707	1.7
147.11754	1.1
164.92024	1.9
177.55922	1.1
243.21033	1.7
261.22003	1.1
309.81726	1.1
335.21927	100.0
335.25656	7.2
336.22226	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05032	1.0
58.06590	2.2
63.87177	0.5
67.05496	2.4
69.07056	0.7
69.87575	1.0
69.87939	1.7
70.06586	1.9
74.06064	1.2
79.05492	1.2
81.07070	3.2
84.08130	0.6
88.07631	1.8
91.05501	2.5
93.07030	1.1
95.08593	2.5
97.06522	0.7
102.29876	0.6
105.07047	0.8
107.08614	1.0
108.13695	0.5
109.10159	0.7
109.72172	0.6
110.09618	0.7
117.07013	0.6
119.08526	0.6
121.10144	1.1
128.10713	3.6
145.10114	0.6
147.11673	1.0
151.07350	0.7
183.20030	0.6
206.76524	0.5
207.15698	0.5
243.10503	0.6
243.25209	1.6
269.87958	0.6
287.27698	0.6
300.26816	2.2
318.27902	4.0
323.27930	0.7
335.21915	100.0
335.30029	5.8
336.22363	8.0
336.28793	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
56.13335	0.9
57.03442	0.9
59.83976	0.8
61.79342	0.8
66.64269	0.9
67.05513	4.5
69.50186	4.3
78.14184	0.9
79.05499	2.8
81.07073	4.3
91.05490	1.8
92.72424	0.8
93.07047	4.4
95.08614	4.1
95.52763	0.8
105.07058	2.0
107.08604	1.5
109.10184	1.2
121.10155	1.7
135.25815	0.9
142.81050	0.9
159.11768	1.2
202.08963	0.8
241.10178	0.9
335.21951	100.0
335.25543	5.3
336.22433	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82935	2.9
67.05495	11.0
71.28844	2.3
79.05486	5.6
80.94855	7.3
81.07069	8.1
91.05492	4.5
93.07054	4.7
95.08614	7.4
107.08625	3.2
109.10174	2.9
121.10144	3.5
145.52194	2.3
164.92087	4.1
182.73227	2.8
201.76218	2.7
335.21933	100.0
335.25681	8.1
335.29871	7.5
336.22156	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03948	5.2
54.20750	1.0
55.01868	2.3
55.05513	25.2
57.03160	1.7
57.03436	24.6
57.07076	4.7
65.03932	3.2
67.05505	99.2
69.07069	23.1
69.68129	4.9
71.04984	2.4
71.08625	1.2
74.09708	1.4
74.82022	1.0
76.81508	0.9
77.03911	1.3
77.24928	1.1
79.05492	58.2
80.05807	1.7
81.07056	89.8
82.07369	2.4
83.04967	1.9
83.08623	11.8
85.06538	1.3
91.05479	26.8
93.07043	57.7
94.07365	1.7
95.04959	4.5
95.08607	78.1
96.08929	1.3
97.06514	3.7
97.10152	4.9
105.07033	19.5
106.07320	1.2
107.08590	33.9
108.08910	1.5
109.06489	1.9
109.10151	31.6
111.08054	1.8
116.83414	1.0
117.07021	5.9
119.08581	12.9
121.10141	24.8
122.10474	1.0
123.08068	1.6
123.11699	12.7
125.09679	1.2
129.05463	3.4
131.08568	14.2
133.10123	13.0
135.11688	19.0
137.09566	1.1
137.13226	4.5
139.24046	0.9
145.10117	8.2
146.38441	0.8
147.11691	6.5
149.13268	9.8
151.11165	1.5
151.14853	1.1
159.11681	7.9
161.13248	9.0
163.11166	1.4
163.14786	6.8
173.13188	5.6
175.14839	3.3
177.12755	1.1
177.16386	2.5
183.06694	1.0
187.14807	2.8
222.86310	1.0
223.15051	1.5
243.21016	7.9
261.22125	13.2
262.22604	1.0
317.24698	4.6
335.25803	100.0
336.26172	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	335.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01862	1.5
55.05513	13.1
57.03437	10.5
57.07074	32.3
58.07396	0.7
65.03912	1.4
67.05503	43.1
69.06723	1.2
69.07068	11.5
70.32387	0.9
70.32713	1.6
71.08629	26.7
73.06570	3.4
79.05490	21.4
80.00433	0.7
81.03409	0.7
81.07054	38.6
82.07398	0.7
83.08620	7.3
85.06564	1.0
85.10183	24.3
86.10491	1.0
87.04481	1.5
89.06028	100.0
90.06376	1.3
91.05476	10.6
91.07630	0.9
93.07040	24.8
93.07629	1.3
94.07359	1.2
95.04940	1.2
95.08601	27.9
96.08944	1.0
97.06531	1.6
97.10170	3.1
99.08095	1.1
99.11735	1.9
105.04495	1.0
105.07025	8.7
107.07068	5.8
107.07820	1.0
107.08579	13.6
109.06545	1.3
109.10159	13.4
117.07021	2.1
119.08562	5.1
121.10142	10.6
123.11703	4.3
129.05470	2.5
130.08673	1.0
131.08551	4.7
133.08595	25.0
133.10089	5.1
134.10504	0.6
135.11685	7.9
137.13263	0.9
141.16356	1.2
145.10175	3.7
147.11659	2.4
149.13254	4.7
150.82231	0.7
151.09711	3.6
151.11198	0.6
151.92496	0.6
152.74429	0.7
159.11745	2.1
160.40532	0.6
161.13226	2.5
163.14816	1.9
165.12788	0.7
173.13235	2.6
175.14835	1.1
177.11214	5.6
177.16388	0.8
185.19112	0.8
187.14807	1.8
195.12294	13.1
229.21500	0.9
243.21021	2.7
255.41777	0.7
257.19034	0.7
261.22174	4.3
317.24710	1.8
335.18097	1.2
335.25659	32.3
336.25970	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	336.1374
Annotation	H-MET-TRP-OH
Peak:m/z	Relative Intensity
50.32884	0.8
51.14693	0.9
55.05499	2.1
56.05036	77.0
57.05371	1.2
59.49309	0.9
61.01151	54.0
61.54080	1.0
64.61047	0.8
65.98717	0.9
69.07043	1.4
69.54853	3.8
70.06586	4.1
72.08154	18.7
74.06068	1.3
78.21767	1.0
79.20475	0.9
83.06078	1.3
84.04482	1.9
84.08150	1.4
86.09708	10.4
91.05466	2.0
93.07053	1.3
95.04975	1.1
100.11246	1.1
101.07126	5.2
103.05462	2.3
104.05328	97.9
105.05683	1.2
115.05402	1.5
118.06535	11.4
118.08637	1.4
119.04891	1.4
120.08105	61.3
121.02881	7.6
121.08384	2.5
128.10699	3.9
130.06525	10.3
132.08084	8.6
134.53960	1.0
138.59277	0.9
142.06555	2.2
143.07280	2.1
143.11829	7.6
144.04454	1.1
144.08104	13.4
145.02824	1.6
146.06007	57.1
147.06378	2.4
158.08368	1.7
159.05876	1.6
159.09164	16.1
159.83179	1.0
166.08672	1.6
169.07509	1.1
170.05992	7.6
170.09669	1.7
171.11308	3.3
176.01057	1.4
180.07977	1.2
188.07060	100.0
189.01813	2.0
189.07346	4.6
189.12346	2.1
191.03378	4.1
191.11768	8.4
197.10696	1.4
205.09720	68.8
206.10048	4.1
218.05382	1.1
219.02910	2.6
219.11298	3.0
223.10797	2.1
225.10219	1.3
233.16458	3.5
243.11185	1.4
261.16058	1.3
271.10748	2.9
279.06418	1.5
280.07089	1.1
281.07962	1.7
288.13428	4.3
290.13266	3.5
294.05273	5.6
307.05890	3.4
308.06662	4.0
309.07544	3.6
319.06015	2.3
319.11261	2.5
336.06039	4.1
336.09567	4.7
336.13791	12.4
336.19968	2.0
337.07031	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1662
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
55.01867	1.0
55.05501	0.9
57.03437	1.3
60.38322	0.2
67.05482	0.3
69.03415	1.0
69.07065	7.0
69.52973	0.4
69.53376	0.9
70.06588	0.5
71.01344	0.8
71.04987	0.2
72.08166	0.3
73.02922	0.7
79.05470	0.3
82.06568	0.8
83.08599	0.6
84.08133	0.3
85.02891	1.0
86.09683	0.5
91.05496	0.4
93.07050	0.4
95.08601	0.4
97.02847	0.6
97.16938	0.3
100.11266	2.6
102.35674	0.2
115.03931	0.6
117.35663	0.3
119.03540	0.8
120.08098	1.7
121.05112	0.3
121.91138	0.3
128.07047	0.5
133.04855	0.3
135.35966	0.3
136.06184	100.0
137.04575	0.6
137.06509	1.2
139.08684	0.4
148.06180	27.7
149.06596	0.5
156.71973	0.2
161.13203	0.3
178.07220	0.3
182.15428	0.4
204.12444	76.0
205.12814	2.3
209.16499	2.2
210.14867	0.9
217.82439	0.3
248.09430	0.3
263.11749	0.7
291.11090	0.5
309.12476	0.3
322.05539	0.3
336.16644	27.4
337.11697	1.1
337.16782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1917
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
50.43200	0.5
69.07070	1.0
70.06584	1.0
70.45021	1.0
71.78985	0.9
72.08184	0.6
75.05596	2.2
79.91477	0.5
86.09706	95.9
87.10012	1.4
93.07030	0.9
103.05485	3.3
107.04969	0.7
120.08105	100.0
121.08433	2.7
131.04918	1.1
132.10242	3.3
137.80588	0.6
143.11794	75.4
144.12109	2.4
149.06030	1.2
166.08644	29.7
167.08925	1.2
171.11285	14.1
177.10226	23.0
178.10683	0.9
180.10162	0.8
205.09756	4.3
279.16995	1.1
290.57300	0.7
337.07205	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	336.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23212	0.5
50.57967	0.5
51.29665	0.6
55.05516	8.4
61.75724	0.5
65.00466	0.5
69.07070	8.6
69.69574	2.4
70.06573	1.2
72.08168	0.6
73.84674	0.6
75.05605	21.7
79.05527	0.5
82.06578	6.1
83.08607	6.1
86.09707	86.0
87.05636	0.8
87.10040	1.6
91.05479	1.2
93.07061	1.1
97.02882	0.7
100.11256	22.3
100.41966	0.6
101.11637	0.6
103.05471	3.5
110.06038	2.5
111.04425	1.1
120.08104	79.9
121.08445	2.8
125.02332	1.5
127.08646	1.8
128.07094	0.9
131.04950	1.7
132.10188	2.2
139.08630	4.3
143.11795	100.0
144.12151	3.4
149.05989	1.3
153.01849	0.7
166.08643	29.0
167.08957	1.5
169.17374	0.5
169.18845	0.6
171.11292	17.6
177.10294	2.8
182.15445	1.4
187.22969	0.5
189.12369	2.1
205.09702	2.9
209.16496	17.7
210.14871	3.9
210.16827	1.4
212.79433	0.5
226.08652	0.6
228.15895	1.8
272.09167	1.6
274.16931	0.6
336.22702	2.1
337.07114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1915
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
55.05533	0.4
66.29289	0.3
69.07081	0.4
75.05642	0.4
79.59998	0.3
79.68357	0.3
86.09705	13.8
93.07044	1.1
103.05493	1.9
120.08101	100.0
121.08447	3.2
123.86247	0.3
130.06578	0.4
132.10196	5.0
141.36920	0.3
143.11795	3.2
159.51224	0.3
166.08635	0.6
171.11360	0.4
177.10226	49.1
178.10538	1.9
202.62613	0.4
205.09740	7.4
209.16475	0.6
237.43527	0.3
264.49167	0.4
279.16980	1.3
338.11197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1916
Annotation	Phe Ile Gly
Peak:m/z	Relative Intensity
50.12548	0.4
50.76635	0.4
56.05030	0.9
60.04538	1.1
60.04932	0.4
60.87932	0.3
65.09772	0.4
69.07074	2.6
70.06595	4.8
70.65031	0.5
70.65348	0.4
72.08131	1.9
83.06101	0.7
84.04500	11.5
84.08128	1.7
84.93706	0.4
86.09702	55.7
87.10033	1.3
91.05460	0.9
93.07034	1.4
101.07150	0.5
103.05473	3.9
110.07141	0.6
115.08660	0.6
116.07098	0.5
120.08101	100.0
121.08451	3.5
130.05020	0.5
136.07603	0.5
140.73567	0.4
143.08159	1.7
156.07710	0.7
160.07536	0.4
166.08598	0.5
171.07648	2.8
189.12352	4.0
207.06593	0.6
223.10788	5.5
233.16476	28.6
234.16811	1.4
261.15985	5.4
263.03375	0.5
287.21280	0.4
336.06116	0.5
336.19342	1.2
337.03336	1.1
337.07050	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05022	0.3
56.65078	0.2
57.03420	0.4
58.06580	0.3
67.05505	0.9
67.21663	0.2
68.05020	0.5
68.34789	0.2
69.03432	0.2
69.07054	0.8
69.92257	0.9
70.06583	0.9
71.05006	0.3
72.08148	0.7
72.78008	0.2
79.05495	4.4
81.05807	1.1
81.07066	1.1
84.08143	1.2
85.06494	0.2
91.05477	1.0
93.07037	0.8
94.06576	1.8
95.04965	0.3
95.08619	0.9
96.08132	30.7
97.06536	1.0
97.08464	0.6
98.22688	0.4
105.07040	0.6
107.08586	0.3
109.10181	0.4
110.09697	0.4
114.09167	100.0
115.08907	0.3
115.09531	2.5
119.08581	0.4
120.08116	1.0
121.10127	0.4
123.11682	0.2
130.08707	0.3
133.10109	0.3
145.10097	0.3
172.13332	4.0
177.42680	0.2
178.23018	0.2
198.11201	0.2
273.20273	0.2
313.60324	0.3
318.24292	2.8
336.21066	0.4
336.25348	8.2
336.28970	0.8
337.11774	0.3
337.16190	0.3
337.19852	0.2
337.25577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2532
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
52.51247	0.5
55.01875	1.0
55.05515	1.6
56.05034	2.3
56.16060	0.6
57.03444	2.2
57.07066	0.6
58.06601	100.0
59.06944	0.8
66.08714	0.5
67.05515	3.1
69.07063	1.5
69.60718	1.3
69.61127	1.7
70.06599	3.6
71.04993	1.2
71.07380	0.5
72.08157	28.8
74.90601	0.6
79.05488	4.5
81.07050	4.4
82.06561	0.8
83.04967	1.0
84.08146	1.8
86.09695	0.7
88.07648	1.3
90.12639	0.5
91.05482	24.8
92.05833	0.7
93.06566	0.6
93.07037	3.4
95.04970	3.1
95.07362	1.2
95.08614	4.5
96.08130	9.8
97.06538	2.0
98.23244	0.9
103.05521	0.7
105.07021	3.7
107.04961	1.1
107.08585	1.9
108.08117	1.3
109.10145	1.1
110.09685	9.5
111.08060	0.6
114.09164	28.7
117.07019	3.1
119.08581	2.0
120.08102	2.0
121.06485	0.8
121.10155	1.3
123.08051	0.6
129.06978	3.5
131.08560	3.6
133.10165	1.0
142.07802	0.6
143.08586	1.3
145.10141	1.8
154.40286	0.5
155.08560	0.6
157.10144	3.6
172.13301	1.0
175.11203	2.1
227.84146	0.6
263.11948	0.7
269.19073	0.7
300.23218	7.3
301.23535	0.7
318.24277	41.0
318.27661	1.6
319.24673	3.0
335.77664	0.7
336.14548	0.7
336.17844	17.9
336.25296	40.4
336.29105	3.0
336.71432	0.7
337.11658	1.0
337.19501	1.2
337.25705	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	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
56.05031	2.4
58.06590	2.7
64.04233	1.8
67.05502	8.0
69.55608	5.5
69.56054	2.3
70.06611	2.3
79.05489	4.0
80.94829	2.3
81.07060	6.6
84.08145	7.0
88.07624	1.6
91.05498	4.0
93.07037	5.2
95.08617	3.1
96.08123	3.8
96.92205	1.9
105.07045	3.2
108.08130	3.3
109.08869	2.2
110.09686	2.8
122.09666	2.6
124.11254	2.7
128.07816	1.5
128.10756	2.7
136.11208	2.2
154.12204	1.8
250.18320	2.0
273.11703	1.6
300.26965	8.1
318.27911	50.1
319.28217	3.3
336.28955	100.0
337.29190	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	336.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31294	1.1
53.03939	1.7
53.56512	1.0
53.72926	1.2
55.01869	3.6
55.05510	9.3
56.05035	11.2
57.03428	2.9
57.07078	1.3
58.06598	34.6
64.35453	1.3
65.03962	1.4
67.05502	37.7
69.07070	5.3
69.48975	6.6
70.06593	3.5
70.70803	1.1
71.04989	1.4
71.07368	2.8
72.08193	1.7
79.05493	29.5
81.03423	1.6
81.06582	2.7
81.07056	49.1
83.04968	1.2
83.08611	3.4
84.08145	11.3
91.05485	13.9
93.07043	28.2
94.07362	1.5
95.05005	2.2
95.08604	31.3
97.06520	3.9
98.22693	2.6
105.07029	10.8
107.08585	14.5
109.10149	5.2
110.09671	4.6
117.07043	2.0
119.08629	5.5
121.10145	5.4
123.08025	1.8
131.08571	4.5
133.10138	2.6
135.11693	1.6
145.10120	4.6
147.11646	2.5
149.13248	4.9
157.10185	1.8
162.79741	1.3
169.72124	1.5
182.15331	1.2
185.13312	1.8
211.65385	1.1
264.71683	1.1
300.26917	5.6
318.27905	100.0
319.28177	7.2
336.28937	82.9
337.29242	3.8
341.80164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.8
55.01873	1.8
55.05508	11.5
56.05036	11.9
57.03423	2.0
57.07075	1.5
58.06601	42.3
58.65285	1.3
59.06923	1.5
65.03948	1.5
67.05502	41.5
68.05856	1.4
69.07056	6.1
69.49142	2.3
69.49556	4.5
70.06585	4.9
71.04990	1.7
71.07362	4.3
72.08137	1.8
79.05492	28.8
81.03384	1.1
81.07053	46.7
82.06595	1.9
83.04970	1.9
83.08640	1.5
84.08148	14.2
87.82638	1.3
91.05486	17.4
93.07040	26.7
95.04965	2.4
95.08601	31.5
96.08932	1.7
97.06512	2.8
97.10155	2.4
98.09698	1.4
105.04535	1.4
105.07036	9.5
107.08600	17.5
108.08114	1.4
109.10179	6.2
110.09702	9.4
111.08095	1.4
117.07012	3.2
119.08558	4.1
121.10135	6.6
123.08084	2.0
128.10684	7.4
131.08563	6.7
133.10123	4.3
135.08095	1.6
135.11687	1.8
136.61954	1.4
144.96658	1.4
145.10115	3.1
147.11703	3.8
148.37968	1.4
149.13222	6.0
159.11682	1.7
161.13219	1.5
171.11740	1.9
173.13272	2.1
187.14807	2.4
248.30687	1.3
268.83246	1.2
273.31946	1.4
300.26886	5.2
318.27890	100.0
319.28229	8.6
336.28952	95.9
337.29327	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	336.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44756	0.9
55.05521	6.9
56.05033	2.3
57.03428	4.2
58.06318	1.0
58.06599	15.7
60.85166	1.1
65.03932	1.9
67.05507	8.8
69.07077	5.3
70.06596	7.4
70.56325	2.5
71.05000	0.9
74.06091	5.4
78.06296	0.9
79.05498	3.0
81.07053	11.9
82.06559	1.1
83.08611	5.2
85.06513	0.9
91.05482	58.9
92.05814	1.2
93.07044	1.7
95.08604	10.0
97.10172	2.6
98.22648	1.1
105.07038	9.1
109.10146	4.5
110.09641	1.1
117.07026	16.9
119.08601	1.1
128.10733	4.8
131.08580	30.9
145.10112	3.8
165.64368	0.8
300.26849	41.2
301.27066	4.1
318.27924	26.7
319.28162	2.6
336.28934	100.0
337.29221	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	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92571	0.8
56.96566	3.1
59.86602	0.8
60.05654	9.1
65.39088	0.9
70.06597	37.1
71.05010	1.5
71.28153	1.6
72.08156	7.9
82.99873	2.6
84.08152	3.3
85.01402	2.9
86.19515	0.8
87.59320	1.0
94.99831	1.2
97.02890	1.1
97.07640	2.8
98.06041	1.1
98.97576	2.1
100.07631	1.4
101.00879	17.7
102.00999	0.8
103.02452	8.0
110.97543	1.7
112.07595	1.3
112.08727	6.5
113.00856	11.4
114.09168	5.0
114.10308	7.8
115.02433	1.2
116.07125	4.7
119.01924	18.4
121.03488	3.5
127.02419	14.7
128.07059	2.7
128.98605	2.9
130.09753	4.5
131.01912	27.2
131.12949	1.2
132.02000	2.5
133.03445	2.3
136.07565	2.1
137.02901	1.2
139.02414	3.0
143.01878	3.6
145.03468	56.4
146.03638	2.6
147.01376	3.1
147.03201	1.2
149.02946	3.0
150.09155	1.0
155.01886	22.0
156.02039	1.6
156.88522	1.2
156.98102	4.1
157.02188	1.8
157.03470	26.6
158.09251	2.9
159.05031	1.6
161.02998	4.4
163.04517	5.5
167.01973	1.6
171.01384	10.9
173.02963	40.4
173.04469	2.1
173.13933	4.3
174.03072	3.5
174.99158	19.7
175.00655	1.0
175.02975	0.9
175.04523	7.6
175.11897	6.2
180.10094	1.2
183.01427	5.3
185.02985	8.2
186.03119	1.1
189.02466	12.4
189.04112	1.6
191.04042	0.9
193.00209	13.0
193.01817	1.5
198.11276	3.6
199.00903	8.6
200.01112	1.1
201.02434	6.8
203.04053	2.8
211.00977	2.4
214.10762	1.9
216.03488	1.0
216.12302	1.2
217.00233	7.8
217.01952	100.0
217.03598	4.9
217.12895	1.4
218.01968	6.7
221.05078	3.2
227.16525	0.8
229.01926	40.2
230.02106	2.7
232.11722	1.7
235.01291	3.3
235.03058	32.8
236.03253	0.9
239.06133	2.0
242.10216	3.2
247.03127	17.8
248.03078	1.4
253.04100	2.6
257.16101	4.4
258.04642	1.5
260.11328	1.7
265.04037	3.5
275.06146	1.2
277.04443	4.8
277.06912	1.1
277.07825	0.7
279.45355	1.0
283.05051	1.1
295.08514	1.2
319.05051	2.4
319.16135	3.0
336.94794	1.3
337.05499	5.6
337.10873	5.8
337.17154	41.0
338.17801	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	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	2.5
60.05647	21.5
65.55138	1.9
69.98754	1.9
70.06596	95.7
70.66232	2.5
71.04968	2.2
72.08154	24.6
82.99859	2.6
84.08143	8.7
85.01420	3.5
85.02927	2.9
87.07996	2.9
94.99801	2.6
96.04488	2.4
97.02895	3.2
97.07661	7.6
100.07618	2.1
101.00879	24.5
103.02436	8.8
112.07604	3.9
112.08736	18.2
113.00853	14.3
114.09152	14.4
114.10293	22.7
116.07081	8.6
119.01911	23.0
121.03436	2.2
124.67464	1.9
125.30115	1.8
127.02421	19.8
128.07063	7.1
130.09764	14.5
131.00992	3.8
131.01910	36.1
131.12914	3.5
136.07622	3.1
139.02382	4.3
143.01895	6.6
144.10165	2.1
145.03467	61.7
146.03598	4.6
147.01329	3.1
149.02946	3.4
155.01913	27.6
156.02040	2.1
156.88594	2.7
157.03493	27.6
158.09256	6.7
158.37386	2.2
161.02937	4.0
163.04512	8.1
167.01909	3.7
171.01300	11.2
173.02954	42.5
173.13979	11.6
174.99178	2.1
175.04535	6.1
175.11891	15.2
183.01402	5.0
185.02919	7.4
189.02446	16.6
192.11356	2.4
198.11246	6.5
199.00922	8.4
201.02443	6.5
203.03996	3.8
203.84094	2.2
208.01303	2.6
214.10767	3.7
216.12315	2.0
217.01949	100.0
217.03664	4.5
217.12880	4.1
218.02162	7.7
229.01945	29.2
229.03947	3.3
230.01984	2.8
232.11899	3.4
235.00902	3.0
235.03004	33.2
239.06090	3.5
242.10210	5.3
247.02942	18.0
253.04274	3.0
257.16034	10.1
260.11371	5.8
277.04193	2.7
307.77399	2.3
318.93860	2.1
319.05084	2.4
319.16129	6.9
336.94809	9.1
337.05173	4.7
337.08350	28.5
337.17148	92.5
338.17807	7.6
344.28067	2.4
359.27158	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	63.3
57.34674	2.6
70.06594	13.8
70.36209	5.0
70.36541	2.5
70.98125	19.1
71.95267	3.0
72.08137	4.9
74.97646	2.3
84.08144	7.6
84.96039	7.9
85.02917	2.4
86.09708	7.9
88.99150	8.1
95.03340	2.3
95.08588	2.5
95.66764	1.9
98.97582	100.0
100.99121	2.5
102.08050	2.5
110.97562	34.3
112.00716	3.7
112.99136	14.0
115.00656	4.2
116.98622	29.4
118.70974	2.1
124.95513	6.2
124.99124	3.5
128.98604	28.7
131.00162	19.9
133.01741	9.3
134.99629	4.3
136.07545	3.4
140.98601	6.3
142.96555	5.2
143.00168	6.4
144.98083	4.4
146.99628	15.6
149.01242	21.5
152.98610	3.7
158.99654	18.3
161.01210	3.5
165.00725	8.5
167.02306	5.5
170.95988	10.1
170.99646	9.8
172.97623	2.2
173.03067	2.5
174.99062	3.1
175.02783	5.9
175.12018	2.4
176.12906	4.3
177.00729	14.4
184.97595	3.1
188.97061	14.8
189.00682	13.5
191.02306	5.0
201.00740	7.4
202.98631	7.5
203.02371	10.4
205.00114	2.7
205.22624	2.7
206.01593	3.4
206.98170	5.2
207.01735	5.0
212.97157	3.2
217.00249	5.4
217.03897	4.9
219.01828	42.6
220.02097	2.4
220.99651	5.4
223.01303	3.4
224.02628	10.2
230.98135	16.5
235.01314	4.7
237.02802	30.3
237.84756	2.5
244.99699	8.6
248.99121	3.9
249.02817	3.1
249.08417	1.9
263.00751	27.8
277.02325	11.4
277.05963	20.4
278.03647	5.8
281.01932	2.8
295.03827	3.1
295.06992	85.4
296.07294	3.5
332.10333	5.5
337.08679	59.9
338.08652	3.3
338.18231	8.3
355.15207	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	337.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82493	0.3
52.84932	0.3
56.96550	0.6
60.05640	2.3
62.82242	0.3
66.69849	0.5
70.06594	10.5
70.32662	1.1
71.04956	0.5
72.08154	2.0
78.83045	0.3
82.99811	0.4
84.08125	0.9
85.02866	0.4
86.09698	1.9
89.59355	0.4
97.07632	0.6
98.97608	0.7
100.07576	0.7
100.33408	0.3
101.00867	0.8
103.55670	0.4
104.10746	1.2
112.07586	0.7
112.08737	1.8
114.09159	1.1
114.10283	2.2
116.07059	1.2
118.89323	0.4
119.01900	1.0
128.07077	1.0
130.09750	1.2
130.12257	0.5
134.99867	0.6
136.07585	1.4
140.98842	1.0
150.09106	0.5
158.09283	0.9
158.99829	3.2
173.02994	0.7
173.13976	1.2
174.99124	1.2
175.08633	0.4
175.11865	2.2
177.00951	32.2
178.01044	3.6
182.99898	1.9
185.01474	0.9
193.00209	1.0
195.02011	0.6
198.11285	0.7
200.02441	0.4
201.00946	7.8
202.01152	0.8
203.02515	23.9
204.02666	3.0
214.10890	0.5
217.00105	0.7
217.01981	0.9
217.04106	0.4
217.12929	0.9
218.03635	1.3
219.02002	100.0
220.02126	11.5
220.05371	0.7
220.76462	0.4
237.08063	1.0
242.03671	0.9
242.07153	1.1
242.10016	0.5
247.01520	2.2
248.01868	0.4
257.16110	1.0
260.11346	0.7
266.07339	0.6
268.08826	2.8
269.09058	0.5
284.08304	9.7
285.08481	1.8
287.08157	1.1
296.08194	2.3
297.08453	0.6
314.09338	36.3
315.09512	5.0
319.15979	0.6
332.10397	70.6
333.10532	9.3
337.10892	0.7
337.17221	10.2
338.07001	1.1
338.17996	1.4
350.11438	4.5
355.12079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52021	0.5
65.21210	0.6
66.45604	0.6
77.14177	0.5
81.07056	1.8
88.89170	0.6
95.02323	0.6
95.08625	0.8
133.82820	0.7
222.11377	0.6
223.86093	0.6
226.13145	0.7
337.10590	5.0
337.17508	100.0
338.17834	7.3
338.26575	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	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25026	0.5
55.05505	0.9
56.46981	0.5
57.03428	0.8
63.69528	0.5
67.05492	2.2
67.27608	0.4
69.07063	1.4
69.67651	2.3
81.07048	1.8
83.08607	0.9
83.40691	0.4
93.07014	0.7
95.08600	1.9
96.92176	0.6
97.10161	0.6
98.23357	0.6
109.10180	1.0
111.15745	0.5
162.17728	0.5
167.45512	0.5
167.46948	0.5
168.02641	0.5
280.42905	0.5
319.22440	1.4
337.23492	100.0
338.23834	5.3
339.25592	0.5
355.23349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
56.05033	1.2
58.06610	5.2
59.33673	0.7
67.05521	4.8
69.07065	2.6
76.67912	0.7
79.05476	3.7
80.73264	0.8
81.07059	7.4
83.08621	1.7
84.08112	0.8
91.05479	3.7
93.07043	2.4
95.08611	7.1
95.18678	0.9
105.07042	1.3
107.08598	1.7
109.10182	2.0
110.09669	1.2
121.10195	1.4
128.10735	2.3
131.08580	1.6
132.08907	1.0
133.10098	1.4
145.10127	0.9
255.50972	0.9
301.27182	2.4
311.23303	0.8
319.28391	1.1
320.26331	1.0
320.29480	6.7
337.23486	100.0
337.29584	2.8
338.23895	5.2
338.30484	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	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82417	0.3
55.01171	0.4
55.05509	1.3
56.05041	0.4
57.03424	0.5
57.07062	0.5
58.06594	1.6
60.04526	1.9
62.06075	0.7
67.05516	2.8
69.07076	1.9
70.06590	0.7
79.05495	1.5
79.72270	0.4
81.07053	4.1
83.08647	0.5
84.08157	0.6
91.05483	3.2
92.05816	1.3
93.07040	1.0
95.04962	0.6
95.08612	2.7
99.29857	0.4
105.07063	0.8
107.08570	0.7
109.10149	1.4
110.09653	0.7
119.08530	0.5
121.10136	0.8
128.10741	0.9
131.08540	0.8
132.08899	0.5
135.11717	0.5
175.14873	0.5
243.14513	0.6
275.19574	0.4
301.27322	0.8
303.51337	0.4
319.28287	4.1
320.29395	3.9
337.23489	100.0
337.29172	3.5
338.23819	7.1
338.30341	4.1
355.23154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53899	4.0
55.05513	46.6
57.03440	30.4
57.07067	16.0
61.61398	4.5
66.38464	4.8
67.05509	100.0
68.43578	4.0
69.07068	59.7
72.04522	32.9
79.05475	24.6
81.07059	98.3
83.08624	31.7
91.05482	13.2
93.07048	26.7
95.08607	71.5
97.10170	16.5
97.43460	4.4
105.07047	10.5
107.08601	15.0
109.10146	33.6
114.09158	5.6
119.08581	12.3
121.10172	10.9
123.11700	14.4
133.10110	10.0
135.11592	5.5
137.13245	5.2
147.11678	9.8
163.14752	7.1
185.55264	5.0
215.07121	5.3
263.23633	9.5
337.27295	91.7
338.27911	8.9
338.34323	23.0
338.37567	4.8
353.96436	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03943	1.8
55.01871	1.7
55.05283	1.8
55.05518	31.0
57.03189	2.5
57.03441	20.0
57.07071	5.2
60.74733	1.6
65.03964	2.9
67.05511	74.6
69.07075	36.9
70.42862	3.5
71.04971	2.9
71.08616	2.2
79.05494	20.7
81.06583	3.7
81.07063	70.3
83.08629	19.5
85.06548	2.2
91.05487	12.2
93.07059	17.0
95.08615	51.0
97.06504	4.4
97.10171	14.3
99.08075	2.4
105.07045	8.1
107.08591	11.9
109.06522	2.3
109.10159	22.3
111.08108	3.4
111.11713	3.2
111.74788	1.4
119.08587	7.6
121.10145	8.3
123.11698	7.9
133.10141	5.7
135.11710	6.3
137.13304	5.2
147.11708	3.8
149.13237	2.7
161.13278	3.4
163.14880	3.8
163.79774	1.6
175.14847	3.3
200.32506	1.6
245.22777	3.7
255.61496	1.8
263.23782	5.6
281.07254	1.7
337.27393	100.0
338.27661	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.02414	0.5
53.03949	2.4
55.01871	2.1
55.05516	43.6
56.05859	0.8
57.03443	30.6
57.07080	7.7
58.03786	0.5
59.05013	0.5
65.03943	3.1
67.05509	96.3
68.05843	1.4
69.03425	1.1
69.07072	55.5
69.72396	0.9
69.72796	1.8
70.07397	1.0
71.05000	3.0
71.08635	2.9
73.06557	0.6
79.05498	25.1
81.07063	91.2
82.01485	0.5
82.07392	1.5
83.04987	3.2
83.08622	27.1
85.06559	3.5
85.10183	1.4
91.04908	0.9
91.05482	16.8
93.07053	22.3
94.07406	0.7
95.04985	1.4
95.08614	67.7
96.08930	2.0
97.06544	5.0
97.10175	15.8
99.08105	2.4
105.07036	10.9
107.08595	13.2
109.06526	1.0
109.10163	24.2
110.10489	0.9
111.08074	3.1
111.11720	3.1
113.09647	0.9
119.08585	9.7
121.10147	9.3
123.08066	1.1
123.11714	12.7
124.12133	0.5
125.09628	1.8
127.07686	0.5
127.11176	0.5
131.08629	0.9
133.10136	8.6
135.11699	6.7
137.09625	1.5
137.13255	4.3
139.11147	1.2
147.11684	7.5
149.13280	4.3
151.11139	1.2
151.14824	2.0
153.12776	1.3
161.13258	4.7
163.14847	4.3
165.12752	0.7
175.14821	2.5
177.16449	0.7
179.14378	0.8
181.15916	0.6
189.16446	0.8
207.17511	0.7
213.38683	0.5
245.22693	1.8
263.23740	4.3
337.27374	100.0
338.27734	7.0
343.04517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.31230	0.9
53.03948	2.0
55.01857	1.5
55.05511	36.2
57.03440	24.1
57.07069	7.0
65.03932	2.5
67.05505	85.3
68.05828	2.2
69.05311	2.0
69.05722	4.8
69.07069	42.4
71.04991	1.8
71.08631	1.7
74.58200	0.9
78.60861	0.8
79.05072	1.4
79.05498	19.5
81.07056	84.7
82.07394	1.9
83.04977	2.0
83.08149	1.3
83.08624	24.0
85.06538	2.5
91.05476	12.5
93.07045	20.6
95.04974	1.7
95.08607	65.7
96.08912	1.1
97.06548	5.1
97.10165	13.2
99.08088	1.9
105.07025	8.4
107.08595	11.6
109.06524	1.7
109.10160	26.2
109.10905	1.6
111.08077	3.3
111.11678	2.1
119.08575	7.4
121.10147	8.5
123.08069	1.0
123.11709	11.4
125.09647	1.2
133.10144	8.7
135.11693	5.1
137.13257	4.9
147.11656	5.1
149.13261	3.7
151.14836	1.5
161.13231	4.8
163.14801	4.8
165.12750	1.7
165.16412	1.7
175.14815	3.1
179.70709	0.9
189.16383	0.9
245.22614	5.4
263.23706	8.1
313.34164	0.8
337.27356	100.0
338.27722	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49743	0.9
53.03944	3.3
55.01873	1.6
55.05514	33.5
57.03440	21.9
57.07077	6.0
65.03950	2.2
67.05505	76.1
67.15331	0.8
68.05846	1.4
69.03400	0.9
69.07068	37.9
69.40853	5.9
71.04986	1.9
71.08639	2.5
79.05492	19.4
80.05853	1.0
81.07059	76.7
82.07391	1.9
83.04976	2.5
83.08621	24.1
85.06540	1.9
88.99330	0.9
91.05485	8.9
93.07047	19.0
95.04945	1.3
95.08607	65.9
96.08940	3.0
97.06529	3.6
97.10162	11.3
99.08092	1.2
105.07031	8.8
106.39748	1.0
107.08585	12.9
108.28384	0.8
109.10155	28.7
110.01957	0.8
111.08084	2.9
111.11718	2.5
114.60655	0.8
115.23781	0.9
119.08601	6.4
121.10159	9.6
123.10859	1.3
123.11714	10.6
125.09643	2.3
133.10121	8.0
135.11736	5.8
137.09639	1.4
137.13217	5.9
139.14874	1.1
145.10223	1.2
147.11688	4.3
149.13268	3.8
151.14850	1.3
161.13286	3.8
163.14825	4.2
175.14803	3.4
189.16420	1.5
245.22606	6.8
246.69685	1.0
247.24231	1.0
263.23743	10.3
337.27353	100.0
338.27734	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01878	2.1
55.05513	47.0
57.03440	29.2
57.07080	10.0
58.93536	1.8
59.17516	2.0
65.03933	4.1
67.05507	94.0
68.05830	2.7
69.07069	50.9
69.09827	12.7
71.05014	1.9
71.08634	2.7
77.49938	1.7
79.05495	28.2
81.07056	100.0
83.05016	2.3
83.08627	26.7
85.06548	2.3
91.05463	18.1
93.07040	26.5
95.04985	2.4
95.08607	70.6
97.06514	7.9
97.10173	16.5
98.23413	2.8
99.08125	1.7
105.07025	8.8
107.08595	14.2
109.06499	1.7
109.10158	28.4
111.08076	2.4
111.11704	3.0
112.62667	1.6
119.08582	7.8
121.10125	12.4
123.11725	13.2
133.10162	8.5
135.11705	7.3
137.13235	7.4
138.37831	1.6
147.11626	4.1
149.13258	5.2
151.14912	2.1
161.13243	6.2
163.14824	6.1
175.14792	4.8
239.21193	1.7
245.22665	4.0
250.01259	1.8
263.23706	5.9
265.09869	1.8
304.31094	1.7
337.10614	3.3
337.27362	98.6
338.27737	8.3
356.74551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03939	1.7
55.01875	1.9
55.05516	38.3
57.03441	22.9
57.07077	5.9
58.59365	0.7
65.03948	4.0
67.05509	85.6
68.05841	1.3
69.07072	42.3
71.05008	2.0
71.08617	2.1
73.06512	0.7
79.05498	23.1
81.07063	83.3
82.07375	1.9
83.04984	2.5
83.08627	23.2
85.06556	3.0
85.10162	0.9
91.05489	12.6
93.07048	20.0
95.04974	1.4
95.08614	70.9
96.08962	2.5
97.06545	5.5
97.10178	12.8
98.22617	1.6
99.08071	1.9
105.07048	11.0
107.08605	11.1
109.06519	1.1
109.10162	27.0
111.08121	2.1
111.11727	3.3
119.08578	6.8
121.10153	10.8
123.11716	11.5
125.09603	1.5
133.10135	8.0
135.11665	6.1
137.09662	0.8
137.13281	5.0
139.11185	1.1
147.11678	4.4
149.13278	4.3
151.14844	2.3
157.67737	0.9
161.13310	4.7
163.14842	3.2
165.12691	1.1
165.16428	1.1
175.14851	3.2
189.16458	2.2
193.15956	1.0
218.39241	0.8
245.22623	4.4
263.23758	7.8
268.32312	0.8
319.26199	1.5
337.27380	100.0
338.27695	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.9702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	38.2
60.04533	8.6
64.47127	2.2
70.06598	7.5
70.33856	7.3
70.34206	2.9
71.95281	4.7
72.08162	2.8
81.03392	2.9
84.04495	4.3
84.08136	14.3
84.96022	13.2
98.97584	100.0
109.48422	2.6
110.97600	2.7
113.00883	3.0
116.98624	61.0
119.01926	7.1
128.98596	4.0
131.01970	2.6
134.99675	20.3
140.98009	5.5
152.98001	5.0
156.97513	5.5
170.99039	61.8
174.97572	3.8
177.00946	8.1
178.01028	4.8
189.00107	47.1
192.98772	3.4
194.91293	7.7
194.99080	10.2
197.00578	19.9
198.98515	10.6
204.02449	5.2
205.00237	2.9
209.00653	18.4
212.02496	4.1
212.92326	11.0
213.00092	54.6
214.96573	3.2
215.01700	15.8
215.96675	4.8
216.96597	4.8
216.98607	32.8
218.99019	2.5
219.01900	5.5
219.47319	3.2
221.51266	2.5
225.00133	4.5
227.01633	29.2
230.03534	3.4
230.93387	8.5
231.01215	11.7
234.99759	51.4
236.92325	4.2
237.00148	10.3
240.99387	3.2
241.97581	11.0
242.97609	6.2
245.03110	4.1
254.93399	27.4
255.01160	38.4
256.96759	7.6
257.97403	10.8
258.97244	9.4
259.00064	5.6
259.98215	7.0
267.96304	4.9
271.01187	2.9
272.94388	62.6
272.98636	3.5
273.02182	11.6
273.94760	5.7
276.06720	2.7
285.96802	21.5
286.96472	9.6
290.95325	21.8
294.13177	4.1
295.95950	7.8
296.94815	9.2
297.02182	11.9
304.96863	6.5
311.96069	3.2
313.96820	21.8
314.00714	4.5
314.95236	34.5
315.03180	26.9
315.52908	6.8
315.96115	3.0
316.03491	7.5
324.44382	5.4
325.96042	3.7
331.97656	4.8
332.96640	5.8
333.00308	5.6
333.04367	11.5
334.96542	3.7
337.17047	3.6
337.54218	3.7
338.04382	5.1
355.97397	4.3
356.96997	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	338.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13770	4.9
55.05497	7.6
56.96571	9.1
58.06608	7.9
60.05656	26.7
70.06595	100.0
71.04996	5.5
71.20702	7.0
72.08159	31.3
81.03409	5.1
84.04522	6.3
84.08134	29.9
86.09692	18.8
91.05486	14.8
97.07646	5.9
98.97569	19.2
102.66888	5.3
110.07171	8.2
110.97572	8.7
112.08714	15.6
115.08662	9.4
116.07120	13.4
116.98650	6.3
119.81866	5.8
120.08112	19.8
121.08450	8.5
129.10274	10.5
136.07585	71.0
158.09230	9.4
159.06631	6.5
164.04239	9.2
175.11916	31.8
177.05490	7.3
212.02406	7.3
235.14311	6.2
237.02852	9.4
237.90373	5.6
238.75681	5.9
264.14926	5.4
278.08136	15.7
278.61801	5.7
321.15707	9.3
338.06342	20.1
338.18265	75.9
339.16364	10.7
356.06665	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	338.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
54.32898	0.7
55.05526	1.0
57.03431	1.0
59.04997	3.2
61.02921	1.8
69.03432	1.8
69.60970	3.9
70.06594	6.1
71.04991	7.2
72.08156	3.5
76.03443	0.8
81.03416	30.5
83.06112	1.7
84.08115	1.7
85.02891	5.9
85.06532	1.1
86.09704	3.2
91.05524	1.0
97.02926	1.0
98.23319	1.0
99.04450	9.1
110.06042	2.8
113.06004	53.5
114.06335	1.6
115.08742	1.1
117.03458	1.0
120.08081	2.2
121.08437	1.2
125.68980	0.9
127.03917	8.4
129.10309	1.0
136.07550	4.5
141.05460	100.0
142.05817	2.6
145.02849	2.9
145.04955	1.9
147.04295	0.8
159.06517	21.4
163.03877	3.1
164.07089	3.8
166.07236	1.2
175.11885	1.9
177.05508	4.2
180.08693	1.6
182.08157	2.7
196.14380	1.2
203.03413	2.4
324.43680	1.0
338.16949	2.1
338.21100	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	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01884	1.5
55.05515	14.1
55.05769	1.6
56.05042	6.1
57.03438	7.5
57.07064	1.1
58.06600	57.3
60.04523	5.6
62.06097	5.4
65.03950	1.1
67.05502	40.0
68.05013	1.2
68.05841	1.0
69.07066	12.2
69.43749	4.6
70.06599	1.9
71.04996	2.2
71.08614	1.6
72.08160	3.3
75.04495	1.5
75.12733	0.9
79.05494	15.2
81.03380	1.3
81.07054	36.9
82.06582	6.0
83.04990	2.0
83.08627	10.7
84.08149	2.2
85.06570	6.7
86.06066	100.0
91.05482	7.2
93.07039	21.3
94.06536	2.1
95.04971	2.1
95.07348	3.7
95.08605	19.5
97.06523	13.5
97.10163	2.9
98.06046	0.9
99.08098	3.2
105.07041	3.2
107.08601	14.7
108.08125	7.5
109.10154	4.5
110.09681	60.7
111.08088	3.2
111.10020	2.5
114.05524	7.7
119.08605	2.2
121.06540	1.7
121.10110	7.0
121.10756	0.7
123.11721	1.3
126.12831	1.4
131.08574	1.0
133.10147	1.9
135.11717	1.8
138.09154	4.7
145.10080	1.1
149.13249	20.9
150.13541	1.5
150.42856	0.9
151.11247	0.9
154.12274	4.2
159.11670	1.2
167.14368	3.6
176.06786	1.0
177.16432	1.4
195.17484	1.5
199.89331	1.1
201.16521	1.4
222.18573	1.1
243.21065	1.8
261.22159	14.3
274.00797	1.1
274.25394	2.0
277.21722	1.6
279.23276	1.9
291.28854	1.0
292.26340	51.3
293.26611	3.8
302.24780	3.2
310.27408	17.7
311.27328	1.0
320.25842	17.4
320.29480	6.9
321.26395	1.6
338.27002	26.0
338.30603	5.8
339.27179	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	338.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
54.67146	3.3
55.01550	2.7
55.01876	5.8
55.05520	16.9
56.05014	3.8
57.03431	11.0
57.07064	4.5
58.06588	5.2
61.88517	3.2
62.06090	4.9
65.03911	3.9
67.05180	5.4
67.05505	64.6
69.07076	16.7
69.51653	4.1
69.51986	21.6
70.06590	6.7
71.04995	9.4
72.08155	68.3
74.06070	5.9
79.05502	40.1
81.07053	46.8
83.08598	6.5
84.08144	5.1
91.05481	29.5
93.07048	59.2
94.06595	6.5
95.04984	14.6
95.08613	42.9
96.08126	33.8
97.06531	11.2
97.08514	3.1
103.50526	3.3
105.07013	22.9
107.08601	25.9
109.06587	3.6
109.10159	13.7
111.08102	7.1
112.11261	4.4
114.09164	9.7
117.07020	8.9
119.08538	11.8
121.10143	15.1
123.08043	3.6
123.11720	3.8
128.56386	3.1
129.07001	4.4
131.08566	10.7
133.10092	9.5
134.11539	2.9
135.08090	6.0
136.07591	3.6
145.02808	4.1
145.10133	10.7
147.11688	9.7
149.09648	4.4
149.13243	18.0
159.11726	5.0
163.14882	5.1
171.11784	5.1
173.13272	5.2
185.13205	4.1
274.97604	4.3
302.24716	21.8
320.25845	100.0
321.26230	6.4
338.26703	25.7
339.19089	4.2
339.26923	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	338.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91901	0.8
53.03947	2.5
55.05518	7.8
56.05037	5.8
57.03430	2.6
58.06601	45.9
65.03941	1.8
67.05506	38.2
68.90237	1.0
69.07060	5.2
70.06580	6.5
71.07376	3.6
72.08163	7.3
79.05492	23.1
79.45803	0.9
81.07059	28.9
82.06577	1.2
83.08612	1.9
84.08144	26.2
85.06560	1.2
88.07636	2.2
91.05487	16.0
91.54994	1.0
93.07044	19.3
95.04945	1.8
95.08605	18.7
96.08115	3.0
97.10181	1.5
98.09688	5.3
104.13230	1.0
105.07029	10.0
107.08588	10.1
109.10149	6.4
110.09669	4.8
112.11268	1.1
117.07005	2.7
119.08592	6.1
121.10129	6.1
124.11227	1.6
131.08560	3.8
133.10147	4.2
135.11678	2.2
145.10107	2.1
147.11679	2.4
149.13242	2.5
151.53476	0.9
159.11674	2.6
161.13214	1.4
163.73579	1.0
177.18207	0.9
186.03111	1.1
255.83984	1.1
289.10916	0.9
302.28391	32.7
302.31708	2.1
303.28622	2.8
315.98917	1.1
320.29468	89.8
321.29678	5.9
327.53992	1.2
338.27148	3.5
338.30518	100.0
339.30923	8.6
360.04080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05513	10.2
56.05040	11.6
57.03436	1.6
57.07089	1.9
58.02942	1.9
58.06601	33.8
65.03951	1.7
67.05507	37.6
69.07069	12.1
69.65038	1.7
69.65440	3.9
70.06586	1.5
71.07367	4.8
72.08137	1.2
79.05502	13.9
81.07054	52.7
82.56884	0.9
83.04971	2.9
83.08620	3.2
84.08138	11.6
85.06526	1.1
89.00453	1.1
91.05479	5.5
93.07041	11.8
95.04948	1.7
95.08606	41.9
96.08158	1.6
96.08939	1.4
97.06540	1.4
97.10159	2.6
98.23367	1.2
100.99353	1.2
105.07036	4.1
107.08564	3.0
108.16476	1.0
109.10152	12.6
110.09678	4.0
111.08076	2.0
117.06994	1.5
119.08606	5.6
121.10144	3.0
123.08090	1.9
123.11726	1.2
131.08560	1.7
133.10132	3.2
135.11705	2.1
147.11732	1.2
149.13232	3.1
151.14758	1.4
152.14342	1.4
161.13329	1.3
163.14839	1.6
173.13292	1.3
189.31273	1.2
271.24252	1.6
289.25433	1.2
302.28394	3.9
320.29465	100.0
321.29831	9.9
338.30508	79.5
339.30716	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	339.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97831	0.6
70.06402	2.7
70.06817	1.1
70.79733	1.2
74.62925	0.6
81.62138	0.6
84.07989	1.3
84.08435	0.7
97.07496	1.2
98.97443	0.9
101.01863	0.9
110.06961	1.9
110.07641	0.7
112.03431	1.3
116.98432	0.9
118.04504	1.1
124.96944	0.6
130.03403	0.5
130.04457	0.9
132.07927	0.9
140.06525	0.9
140.98735	0.7
142.08083	1.3
144.04895	0.8
147.03053	0.9
152.06660	2.8
155.06450	1.0
158.99831	3.2
160.07567	17.2
160.08810	1.5
162.06059	0.8
168.06044	0.7
169.09180	2.5
170.07590	1.3
171.10857	4.1
172.09116	1.2
173.07494	2.0
175.11768	0.8
177.00946	17.5
177.10040	1.6
178.00827	2.7
179.00578	0.7
182.99748	0.8
187.10335	1.4
189.11980	3.1
194.07529	2.4
195.04608	0.8
197.07489	1.0
200.02263	1.2
201.02144	8.1
202.03864	0.8
203.02318	1.7
204.01892	2.5
208.02783	0.9
212.02258	2.0
214.03934	1.6
215.09894	1.1
216.05646	0.8
216.08031	1.0
218.03583	5.7
219.01991	18.5
219.03932	0.7
220.02147	2.9
220.03860	0.7
221.01666	2.9
223.03955	1.4
224.03473	1.0
225.05557	2.4
226.04077	27.4
227.04181	3.8
227.07156	1.0
228.05664	8.7
229.05722	0.8
230.03580	0.7
231.06689	0.8
233.02409	1.2
233.10809	1.1
237.05623	1.8
238.04033	2.9
241.05305	3.1
241.10193	0.8
242.03343	0.9
243.02974	2.1
243.06767	6.6
244.05144	12.8
245.03200	0.9
245.05321	1.1
246.03171	0.9
250.05417	3.6
251.03377	1.7
252.06644	2.7
253.05136	6.2
254.05099	0.8
255.04730	0.6
255.06734	6.5
256.04916	0.7
258.02966	0.7
258.99869	0.8
262.05228	14.1
263.05154	2.2
268.05048	6.1
269.04803	2.3
270.06799	2.4
271.06091	2.7
272.06381	0.7
273.07758	3.8
274.00446	0.7
274.97406	0.9
276.02203	0.8
276.07117	1.9
276.57330	1.4
279.07907	14.4
279.57199	0.6
280.06216	11.8
281.06458	1.4
285.07761	1.3
286.06128	3.0
287.05994	0.9
287.09381	1.1
288.07953	1.1
288.57913	0.7
295.06284	1.0
297.08389	20.9
298.07318	33.2
298.12601	1.0
299.07449	4.7
309.59979	0.6
311.06723	2.3
312.07462	0.8
313.07092	1.0
315.08850	100.0
316.09021	17.0
317.08807	1.1
321.08954	12.9
322.08807	2.0
322.12891	1.6
329.07925	0.9
334.10287	1.9
338.10403	1.8
339.06870	1.3
339.10025	19.9
339.18839	0.8
340.09775	2.8
345.98508	0.6
357.11029	73.5
358.11160	12.2
359.92889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.02395	0.5
53.03948	1.9
55.01877	0.7
55.05510	0.5
57.03437	1.0
58.06606	0.7
61.02909	0.5
63.02382	0.5
67.05514	0.4
69.03433	7.7
70.06593	1.2
71.04998	1.4
72.08147	0.7
73.02935	0.9
76.83160	0.3
78.04736	0.5
79.05495	0.9
81.03419	20.5
81.07047	0.8
84.08144	0.7
85.02909	6.4
86.09705	1.1
89.03918	9.0
91.05478	1.2
93.07062	0.9
95.04993	0.4
95.08619	0.5
97.02878	1.5
98.09744	0.5
98.23449	0.6
99.04459	2.5
103.05498	0.5
105.07013	0.6
106.04171	0.5
107.08607	0.6
109.02881	7.7
109.10210	0.3
110.07159	0.5
117.03378	26.7
118.03691	0.8
119.04949	0.5
119.08534	0.4
120.08092	1.0
121.06471	0.4
121.10148	0.3
127.03923	3.1
131.04884	0.3
133.10147	0.6
134.03630	2.0
135.04401	1.6
137.02333	2.4
137.03389	0.6
144.10181	0.5
145.02847	62.6
145.10085	0.4
146.03154	1.8
149.05971	8.3
162.03165	0.6
163.03902	1.5
175.83076	0.3
177.05469	100.0
178.05817	4.2
186.05434	0.8
191.06999	0.4
191.30347	0.3
195.06558	4.5
212.82655	0.3
229.04884	0.4
233.05901	0.5
237.05536	0.7
237.14404	0.3
251.07101	0.6
254.05798	0.6
265.05176	0.4
269.07767	0.4
278.05768	0.3
279.06290	0.9
279.08859	0.7
295.05731	0.4
297.07614	2.6
298.07755	0.6
311.09070	0.5
321.09711	19.4
322.10156	1.6
322.23776	0.3
339.08606	2.7
339.17557	0.5
340.24765	1.4
340.28461	0.3
345.55731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01854	1.2
55.05278	0.9
55.05517	11.9
58.06586	1.4
62.77949	0.8
67.05502	1.7
68.05024	1.7
69.03419	3.3
69.07061	3.0
70.06596	10.2
71.29664	1.1
72.08157	100.0
73.06516	0.8
73.08485	1.3
79.05495	3.9
80.05001	1.1
81.03425	6.3
81.07050	3.9
83.08611	3.4
84.04480	1.3
84.08134	2.1
86.09706	6.4
89.03902	1.2
91.05495	5.0
93.07061	4.3
95.04981	1.0
95.08598	1.6
97.02881	2.4
97.06532	0.9
98.06052	1.7
98.09685	1.3
103.05447	0.8
104.04945	1.3
105.06996	4.1
107.08588	4.3
108.03801	1.1
108.04486	14.5
108.08124	1.0
109.02852	1.7
109.10098	0.7
110.06028	3.4
110.07149	1.9
110.09663	3.6
115.08636	0.8
116.07050	1.8
117.03376	3.3
117.06976	0.8
119.04914	0.9
119.08556	1.7
120.08108	8.6
121.06528	1.2
122.05999	2.4
125.02302	1.4
127.03903	1.6
129.10292	1.1
130.06538	0.9
131.08554	1.8
133.10121	3.6
136.03935	8.3
136.07585	3.8
137.05994	2.1
137.07983	1.2
143.08510	1.2
145.02875	7.4
147.11644	1.0
148.07599	1.8
149.05933	1.5
150.09152	9.2
151.03876	1.2
152.03427	6.0
152.14348	8.6
157.38232	0.8
160.07587	1.2
161.09592	2.1
162.09145	4.2
162.12895	1.1
164.10626	1.4
166.08646	0.9
167.11696	0.8
169.16954	1.7
177.05469	14.3
178.04977	17.6
179.49477	0.8
180.03014	1.8
188.10701	0.9
190.08658	1.0
190.12265	15.5
194.08044	1.0
206.08107	8.4
206.11755	20.5
208.09671	3.6
218.11768	8.3
234.07603	1.1
236.12981	1.2
250.10735	2.1
252.08589	7.9
258.14862	0.8
260.16345	5.5
262.10733	2.8
268.06979	0.8
277.19083	7.1
278.17508	42.9
279.17886	2.6
293.08035	1.0
295.17053	1.7
295.20172	19.1
304.15427	3.5
322.16510	31.8
323.16840	1.3
339.08707	3.7
339.19125	55.2
340.19464	3.7
340.24973	1.6
360.33630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.93113	1.9
53.03930	4.0
55.01887	2.7
55.05511	19.8
57.03435	8.4
57.07074	5.7
58.06597	10.4
60.74752	1.6
65.03956	3.6
67.05505	96.3
67.16292	1.7
68.05834	3.3
69.07072	19.2
69.50746	1.6
71.04998	3.3
71.08628	3.0
71.30212	1.5
71.30579	2.8
72.08171	8.6
73.24469	2.1
74.86933	1.9
79.05492	44.7
79.05960	2.5
79.58041	1.7
79.78945	1.6
81.07053	100.0
82.07396	4.1
83.04989	2.5
83.08627	9.2
84.08149	2.7
84.19764	1.8
85.06538	4.9
91.05477	22.8
93.07040	59.6
94.07368	2.7
95.04979	8.4
95.08604	89.3
96.04489	2.1
96.08979	3.4
97.06539	5.9
97.10174	5.7
97.75624	1.6
99.08067	3.7
102.09164	4.5
105.07017	25.7
107.07875	2.3
107.08590	40.3
109.06545	4.8
109.10150	53.3
110.09653	2.4
111.08081	3.1
113.09618	2.4
117.07014	8.5
119.08578	17.0
121.10140	44.6
123.08091	2.2
123.11707	18.6
128.10695	5.2
129.07004	2.9
131.08556	18.6
133.10112	16.3
135.11697	30.8
137.09569	2.1
137.13272	4.1
139.11194	2.4
145.10117	21.3
147.11690	13.4
149.09631	2.2
149.13235	15.0
159.11687	20.4
161.13295	6.8
163.14839	6.4
165.12727	3.4
173.13229	14.3
175.14751	1.8
177.12775	2.0
187.14836	4.8
191.14413	2.2
201.16431	3.0
219.21039	6.8
229.19521	23.2
247.20567	82.8
248.20892	6.2
265.21683	4.6
266.21817	2.2
274.97409	3.2
283.16977	2.9
303.23203	2.6
321.24222	8.5
322.27576	2.9
322.30853	8.5
339.18890	2.8
339.25323	19.6
339.30145	8.3
340.28528	2.3
340.32083	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48761	1.3
51.80023	1.3
53.03939	3.6
55.01859	1.8
55.05508	20.4
56.05024	1.9
56.70651	1.6
57.03431	4.8
57.07067	4.5
58.06593	5.5
62.06084	13.9
65.03934	2.8
67.05503	96.9
68.05856	2.8
69.07069	14.5
71.05006	3.2
71.07922	2.7
71.08633	3.8
71.73568	1.5
72.08162	3.8
75.04493	1.7
79.05492	55.0
80.05805	1.9
81.07056	100.0
82.07413	2.8
83.08622	9.7
85.06539	3.5
85.10187	2.2
86.06036	2.9
89.83556	1.7
91.05481	28.9
93.07041	66.4
95.04966	6.2
95.08604	88.2
96.08128	2.1
96.08966	1.4
97.06522	7.2
97.10156	4.9
98.97616	2.3
99.08095	5.4
105.07028	25.8
107.08595	47.9
109.10151	50.7
111.08096	3.6
114.09185	3.3
117.07018	10.8
119.08572	20.8
121.10139	45.8
121.11021	2.7
123.11705	17.8
125.09633	2.3
129.06996	2.3
131.08572	20.5
133.10141	17.4
135.11687	33.9
136.12073	2.3
137.09564	4.0
137.13237	2.5
143.08560	2.1
145.10138	25.7
147.11682	19.8
149.09688	1.4
149.13251	19.7
151.11156	2.5
153.12709	1.7
157.10197	2.0
159.11719	25.5
161.13249	6.4
162.13538	2.0
163.11192	1.7
163.14787	8.5
171.11682	2.4
173.13268	15.4
175.14787	3.1
177.12833	1.8
185.13213	2.0
187.14796	9.9
189.16389	3.6
191.14363	2.1
201.16328	4.2
219.21063	6.3
229.19498	23.6
242.21080	2.1
247.20573	93.3
248.20863	6.2
265.21667	3.1
274.97556	3.3
292.98538	1.6
301.66479	1.6
321.24292	3.7
322.27383	11.2
322.30997	4.7
328.54318	1.4
339.19147	18.3
339.25482	16.7
339.30597	3.5
340.28452	2.9
340.32108	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03949	0.8
53.52785	0.6
55.05512	30.6
56.05849	0.7
57.03439	9.5
57.07076	11.4
60.65215	0.5
65.03938	0.7
67.05505	19.7
67.12990	0.5
69.07069	36.9
69.68566	2.7
70.07401	1.0
71.04987	1.7
71.08631	6.3
74.06052	0.6
79.05495	8.0
81.07056	23.3
83.04977	1.1
83.08619	24.1
83.44154	0.5
84.08939	0.6
85.06526	1.2
85.10175	2.4
91.05473	2.1
93.07042	12.1
95.08608	22.4
97.06528	3.7
97.10167	14.0
97.10777	1.0
107.08598	6.5
109.10153	9.8
111.08066	2.6
111.11712	3.2
113.09641	0.6
119.08573	1.0
121.10137	10.3
123.11724	3.4
125.09632	1.3
133.10144	0.7
135.11714	7.1
137.13232	1.1
137.26463	0.6
139.11183	1.1
146.28395	0.6
149.13263	2.3
151.14815	1.4
159.11720	1.0
163.14809	1.4
165.36354	0.6
183.49673	0.6
189.16286	0.7
201.16614	0.5
247.24237	1.9
265.25223	2.2
303.26587	0.6
321.28021	0.8
339.28931	100.0
340.29251	7.8
340.35614	0.8
340.39362	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	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.24901	0.5
50.25980	0.5
53.03942	1.7
53.78770	0.5
55.01883	0.7
55.05519	40.0
57.03442	22.5
57.07082	19.1
59.04966	0.7
65.03938	0.8
66.86839	0.5
67.05511	26.3
68.05837	1.2
69.07074	52.5
70.07397	0.6
70.45042	1.8
71.04985	1.7
71.08643	9.1
72.44263	0.5
73.06567	0.8
79.05504	13.5
81.07063	30.7
82.07378	0.6
83.04980	1.1
83.08627	36.7
84.08936	0.6
85.06541	2.0
85.10178	3.7
91.05479	1.7
93.07053	14.3
95.08617	30.4
96.08940	1.0
97.06539	6.8
97.10178	17.9
99.08108	1.3
107.08601	8.9
108.08974	0.6
109.09449	0.9
109.10165	12.8
109.54284	0.6
111.08089	3.2
111.11727	5.9
115.07545	1.0
121.09303	0.9
121.10153	13.5
123.11733	2.8
125.09636	2.8
125.13270	1.1
135.11710	11.5
137.13257	1.5
139.11208	1.9
149.13271	5.8
151.14825	1.9
153.12729	1.6
163.14880	3.1
165.16441	1.3
167.14377	1.0
173.52744	0.6
177.16409	1.6
191.17876	0.8
198.46623	0.6
247.24176	4.2
257.16367	0.7
265.25272	4.4
271.52386	0.6
337.17416	0.6
339.28961	100.0
340.29254	7.1
364.41187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
50.24399	0.2
55.05520	0.9
56.05038	0.9
57.03437	1.0
57.05828	0.4
57.07089	0.4
58.06605	0.6
67.05517	1.0
69.07066	0.7
69.79679	1.0
70.06596	2.6
71.04992	0.3
72.08159	100.0
73.08489	1.7
76.92574	0.2
77.54112	0.3
79.05507	1.1
81.07057	3.1
83.08621	0.6
84.08150	0.6
86.09711	0.8
91.05455	0.6
93.07062	0.9
95.04983	0.5
95.08600	2.1
96.08147	0.8
97.06538	0.4
97.10168	0.3
98.09705	0.3
100.07631	0.5
105.07016	0.4
107.08601	0.9
108.08119	0.3
109.06532	0.3
109.08925	0.3
109.10150	0.5
110.07188	0.9
110.09703	0.6
111.08056	0.4
114.09182	0.4
119.08546	0.5
121.10170	0.7
122.09693	0.3
124.11240	2.0
127.51716	0.3
133.10118	0.3
137.13243	0.6
139.11157	0.2
145.10097	0.3
145.49669	0.2
147.11667	0.6
161.31505	0.2
166.15887	1.1
177.05534	0.2
178.05820	0.4
188.04819	0.2
201.14876	0.8
227.13783	0.3
247.42119	0.3
253.13431	0.3
277.21851	0.3
322.27362	2.5
323.19519	0.3
336.33032	0.2
340.28470	43.6
341.14893	1.3
341.18942	0.4
341.28796	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	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28037	1.8
53.03665	1.7
53.03946	3.1
55.05511	20.4
56.05032	5.4
57.03443	11.9
57.07080	43.6
58.06602	69.5
58.07408	2.0
60.04523	7.8
65.19100	1.8
65.42496	2.2
67.05502	22.8
68.05832	2.5
69.07068	21.9
69.24438	14.8
70.06586	5.4
70.07422	5.2
71.04987	4.2
71.08634	24.6
72.08152	2.5
79.05489	18.7
80.05849	2.2
81.07059	84.9
82.06602	10.7
82.07387	2.9
83.08620	16.3
84.08144	2.6
84.08968	3.1
85.06551	4.8
85.10185	22.2
86.06068	100.0
87.06421	2.3
91.05473	4.4
93.07050	9.5
95.04972	3.2
95.07361	6.5
95.08608	61.1
95.44920	1.9
96.08953	3.8
97.06535	20.2
97.10178	7.9
98.23454	1.8
102.05564	2.8
105.07024	2.4
107.08592	5.3
108.08115	7.5
109.10172	14.3
110.09685	64.0
110.10387	2.6
111.09989	1.9
114.05512	8.9
121.10144	6.9
123.11732	2.8
127.12043	2.3
135.11690	3.8
137.78439	1.6
138.09138	5.7
149.13232	2.2
151.14856	4.0
154.12270	4.0
161.13225	2.3
169.15875	50.0
263.23770	19.0
265.25241	22.5
266.25870	3.3
281.24881	3.0
294.27921	54.0
295.28162	3.4
296.29492	8.2
297.29712	2.0
312.28964	22.5
313.29327	2.2
322.27444	18.4
322.34973	2.8
323.27722	2.1
340.28735	67.3
340.35318	10.1
340.39136	2.3
341.28793	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03951	1.7
55.05513	12.0
56.05036	6.2
56.05836	1.3
57.03430	8.2
57.07076	25.1
58.06601	57.5
60.04526	5.9
64.46976	1.1
67.05507	16.2
68.05017	2.0
69.03438	1.2
69.07068	12.9
70.06589	2.0
70.07414	1.6
71.07352	1.3
71.08630	18.5
72.08152	4.6
79.05489	8.9
81.05797	1.4
81.07057	27.3
82.06591	7.9
83.04944	1.6
83.08620	8.0
85.06541	4.0
85.10184	16.4
86.06069	100.0
87.06395	1.9
88.07604	1.4
91.05459	3.0
93.07031	8.6
94.06586	1.2
95.04951	2.2
95.07335	6.0
95.08609	44.5
96.08942	1.9
97.06533	21.5
97.10171	3.4
105.07025	2.9
107.08608	3.1
108.08131	7.7
108.08774	1.3
109.10135	11.5
110.09683	63.8
111.10037	1.4
111.11749	1.6
114.05544	12.4
119.08617	1.4
121.10135	3.3
123.11697	2.1
123.51004	1.2
126.12819	1.7
135.11729	2.7
137.09619	1.7
138.09152	3.9
151.14845	1.4
154.12234	6.4
169.15878	26.7
170.16115	1.2
245.22662	2.6
263.23676	24.5
264.23984	2.5
276.26889	1.3
281.24823	4.2
284.20361	1.2
294.27924	55.9
295.28140	6.1
304.26404	4.2
312.29019	19.3
313.29440	1.7
322.27371	14.9
322.34744	5.1
340.28653	50.4
340.35129	7.5
341.09448	2.7
341.26166	2.7
341.29666	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	340.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37087	0.3
55.05513	1.3
55.62772	0.3
56.05035	0.5
58.06593	0.7
62.76057	0.2
65.03931	0.5
67.05511	4.1
69.07060	1.1
69.88649	1.0
70.06593	0.4
71.04952	0.3
72.08161	0.5
79.05482	1.0
81.07053	2.1
83.08636	0.8
84.08143	1.3
85.08904	0.8
86.09685	0.3
88.61124	0.3
89.72209	0.2
90.97876	0.3
93.07025	1.8
95.04969	100.0
95.08603	0.7
96.05298	2.1
96.08103	0.7
97.02903	0.6
97.06557	0.3
97.10176	0.3
98.09682	0.6
98.93932	0.3
99.04391	0.3
100.11213	0.3
102.09179	10.8
103.09545	0.3
107.08586	1.0
109.06528	0.8
109.10173	0.4
110.09675	0.3
119.08641	0.3
121.10149	0.5
122.09663	3.6
123.10454	0.8
136.11201	0.5
140.10661	1.4
149.13269	1.2
167.14330	0.5
229.77025	0.3
259.20392	0.5
277.21622	3.1
278.22162	0.3
304.26376	4.7
318.30280	0.3
322.23413	0.6
322.24548	0.4
322.27402	24.8
323.27704	1.5
340.28464	28.4
341.28714	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	340.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	1.3
55.05511	18.7
56.05037	9.7
57.03441	3.5
57.07064	2.8
57.92244	0.8
58.02955	1.4
58.06602	33.7
64.95458	0.7
67.05502	15.8
68.82341	0.7
69.07071	18.3
69.83334	2.9
70.06583	1.7
71.07377	3.4
71.08623	2.4
72.08148	3.0
79.05495	12.2
79.05920	1.4
81.07059	43.1
82.06581	0.9
82.07384	1.6
83.04967	1.6
83.08618	9.4
84.08141	8.1
91.05479	2.7
93.07043	7.4
95.04964	4.1
95.08610	31.3
97.06521	3.8
97.10168	6.5
98.22743	1.0
105.07034	3.4
107.08617	5.4
108.08168	0.9
109.10155	6.3
110.09689	4.4
111.08068	2.0
111.11732	1.2
119.08601	2.5
121.10138	9.3
123.08066	2.2
123.11671	1.2
125.09678	1.6
126.12783	0.9
133.10127	2.5
135.11705	4.0
136.11229	1.8
147.11676	1.1
149.13264	1.1
150.12787	1.3
151.80765	0.7
163.14839	0.7
177.16376	2.1
181.12335	0.9
195.17438	1.1
208.30193	0.8
237.70523	0.7
273.25827	2.8
291.26834	9.0
304.29962	2.9
313.24817	1.2
322.31039	100.0
323.31384	5.8
327.35397	0.8
340.32098	97.4
341.32480	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	340.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05278	0.7
55.05517	8.8
56.05039	0.9
57.03433	1.0
57.06823	0.7
57.07080	5.2
58.06604	4.9
59.02557	0.5
67.05502	7.4
69.07068	7.5
69.75378	2.3
70.06594	19.5
71.08650	2.6
71.74775	0.5
72.08145	1.1
79.05460	0.9
81.07064	7.0
82.06614	0.6
82.07360	0.9
82.78991	0.7
83.08621	4.8
84.08145	1.1
85.73510	0.6
93.07042	1.2
95.04968	0.6
95.08611	8.8
96.08914	0.7
97.10167	2.5
98.09681	1.5
108.11649	0.6
109.10171	3.4
110.07183	0.6
110.10531	0.7
111.11757	0.6
123.11741	1.0
147.44450	0.5
149.02325	0.5
240.26894	1.4
298.29346	0.9
299.98416	0.5
320.33087	0.5
322.34671	66.8
323.34927	4.6
340.35736	100.0
341.36069	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	340.8628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96525	0.3
68.16196	0.3
69.85342	1.0
70.06596	4.8
71.06861	0.3
72.08152	0.6
72.45952	0.3
77.90211	0.3
83.06102	0.3
84.08124	0.9
85.02911	0.4
86.09689	0.7
89.22223	0.3
93.92223	0.5
94.06561	0.5
94.93012	100.0
98.06069	0.5
98.97607	0.4
109.91708	12.0
110.07174	3.8
112.89606	0.3
116.07059	0.6
119.01899	0.4
121.91686	0.4
129.10258	0.3
133.01671	0.4
136.07567	0.8
147.07657	0.4
148.88031	2.9
156.07632	1.5
174.95580	11.0
175.02760	0.4
175.95818	0.3
176.87534	1.6
184.88019	0.4
185.03061	0.4
204.87054	0.6
213.12349	0.9
219.01833	0.4
225.01201	0.7
228.90672	0.6
230.92319	1.2
244.13010	0.5
256.90158	5.7
257.90921	5.3
258.91638	0.6
266.97696	0.7
268.97217	1.7
271.88751	0.4
277.03427	0.4
289.89868	0.4
296.87360	0.5
312.86835	0.5
314.88339	77.7
315.88806	2.2
332.89520	0.7
340.09692	1.1
340.19296	0.5
340.86313	5.7
341.03317	0.4
341.07919	0.5
341.12216	12.3
341.15897	1.4
342.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68208	1.2
56.96568	18.0
65.46989	1.1
70.10562	1.2
71.27712	2.2
71.95273	4.5
73.04758	1.6
84.45470	1.3
91.05816	2.2
98.97585	100.0
101.00890	2.1
116.98622	56.2
119.01905	6.3
132.96683	1.2
134.99675	19.6
137.02948	2.2
142.03516	2.7
153.00681	1.6
156.96533	2.7
160.04572	4.9
161.65399	1.2
174.97679	12.1
175.97797	1.4
177.00941	10.4
178.01059	3.3
182.99928	1.4
190.95801	1.4
192.97264	1.1
192.98750	6.2
193.21533	1.0
196.94626	2.8
198.97749	2.3
201.00873	6.9
208.96747	2.7
214.91974	1.6
214.95639	9.6
216.98691	30.6
217.98830	1.8
218.03618	2.8
219.01984	68.8
219.03793	7.5
220.01906	9.4
232.93152	1.1
232.96700	14.4
234.99742	44.3
235.99884	3.0
236.99562	1.4
237.97154	5.2
238.95638	4.7
243.01790	1.9
250.97855	5.8
254.93365	1.9
255.98174	7.3
256.96631	27.9
256.99075	2.0
257.96774	6.6
258.96484	3.7
258.99857	9.0
260.04788	1.7
260.99915	1.9
261.02631	18.0
261.05225	5.6
262.04587	2.7
263.02841	2.0
272.94550	4.9
273.99213	2.4
274.94489	2.4
274.97736	30.0
275.97910	3.8
277.00800	11.0
279.98279	4.7
280.96710	2.2
290.95544	2.0
292.98767	3.2
298.97638	66.9
299.97839	7.6
301.00970	1.5
314.95831	1.6
315.91809	2.6
316.98819	65.9
317.92490	1.4
317.95624	1.5
317.98856	9.9
323.90497	2.0
324.92465	8.4
326.44235	2.1
326.93866	1.7
332.91132	5.1
333.40976	3.3
333.93256	6.0
334.42786	2.0
334.99774	2.3
335.93643	2.3
336.42859	7.0
336.92627	3.1
339.45889	1.4
340.98752	12.6
341.91800	2.5
341.98947	2.5
342.91977	1.7
345.43604	2.0
347.94345	1.8
354.93927	1.4
358.99878	26.4
359.92737	1.4
360.00076	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	341.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41790	10.2
56.31821	8.4
62.90932	9.2
70.06596	40.1
73.04764	30.9
74.90938	9.6
77.02144	10.8
77.60004	10.1
84.08168	15.4
86.09722	10.4
87.01353	13.9
91.05813	100.0
94.52474	10.0
98.97600	16.6
109.81796	11.3
110.07160	37.7
129.10326	11.9
156.07721	15.7
172.17572	10.4
264.37158	10.7
342.11551	52.3
342.99689	13.9
359.02740	55.6
360.03186	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.76704	0.9
58.06597	7.9
65.03934	1.4
67.56485	0.9
70.06593	2.0
71.04996	4.4
71.05722	0.9
71.06064	1.0
72.08145	1.0
73.04757	3.3
79.05496	2.7
81.07060	2.0
85.02908	2.7
85.73026	1.0
86.09718	2.4
91.05437	3.4
91.05866	2.5
94.04203	3.1
98.23415	1.2
100.11272	2.2
103.05456	2.9
105.03400	0.9
105.07045	2.1
107.04961	1.5
109.06529	3.5
115.05452	2.0
115.09711	1.0
117.06998	1.8
119.04974	1.6
120.08111	2.9
121.06544	1.1
122.03645	5.9
123.08179	0.9
125.05953	1.0
128.06235	2.5
129.06993	7.7
131.04921	4.7
133.02855	5.0
137.05980	100.0
138.06334	2.7
144.05672	3.2
145.06470	2.4
147.04456	2.8
149.05980	3.1
151.03940	3.6
151.07520	6.1
153.05525	1.9
157.06519	6.1
158.88426	1.2
160.05188	5.2
161.05974	1.8
163.07564	2.7
165.05492	3.6
165.06792	1.2
168.05756	1.5
171.08150	1.3
172.05200	5.1
174.06702	6.0
175.07552	19.4
176.08095	1.5
177.05507	4.2
177.09132	2.4
179.07039	3.0
185.06000	1.2
187.07549	24.4
188.08167	1.4
189.05405	1.7
189.07405	1.7
189.09100	11.5
190.07767	1.1
191.06996	1.2
191.08597	2.9
196.05200	7.0
199.07536	3.3
200.08038	1.2
202.07814	3.6
203.08536	16.2
204.09029	1.1
205.06584	2.8
205.08575	2.1
207.07867	1.4
208.08873	1.6
211.07538	25.3
213.05351	2.4
217.08563	11.9
218.07085	1.3
219.08035	9.3
220.08777	6.3
221.09427	1.8
225.05429	2.8
225.08984	1.3
227.07089	5.4
228.07726	2.0
231.08038	18.2
232.08797	4.5
233.06082	1.7
233.09709	1.9
234.06821	1.1
235.07462	2.9
236.08350	2.0
237.09128	3.1
239.06999	17.2
239.09154	1.6
240.07817	8.6
241.04936	1.4
245.09619	1.3
247.07506	7.8
248.08311	24.9
249.09048	3.8
250.06131	1.1
251.10712	3.8
253.08583	2.6
254.09372	1.2
255.06468	8.3
256.07410	4.8
259.07501	10.1
260.08344	5.0
261.05753	1.0
261.09052	2.8
262.06335	1.7
262.09827	1.6
263.06888	1.6
263.07312	1.6
263.10684	24.3
264.07770	2.7
264.10913	1.0
265.08618	4.1
268.07410	3.3
270.08847	10.3
271.09656	30.9
271.12439	2.0
272.10022	2.9
276.07855	10.8
277.08676	5.4
279.10162	9.4
280.10724	1.8
281.08087	2.9
281.11545	1.1
283.09677	9.8
284.10022	2.3
291.10156	56.8
292.10672	9.8
293.08148	4.9
295.09647	1.9
296.10501	5.8
297.11288	3.4
308.10498	5.8
309.11166	1.3
311.12820	8.1
313.14178	1.5
323.09253	1.3
323.12753	30.2
323.25125	1.7
324.13208	3.1
341.10120	2.6
341.13837	22.9
341.25659	1.3
342.14087	1.9
342.22614	2.7
342.26404	6.7
359.02866	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.50879	1.0
53.03932	1.0
55.05510	1.7
56.05047	1.1
58.06601	8.0
68.74872	1.2
71.04984	2.7
72.08165	1.3
73.04756	2.1
79.05523	1.9
81.07066	1.8
82.18893	1.1
86.09705	1.2
91.05442	3.3
91.05870	2.2
94.04182	3.0
100.11250	2.4
103.05482	2.9
105.07021	1.4
107.04954	3.0
109.06508	4.6
110.07182	3.9
111.04434	2.4
113.83331	1.1
114.09167	3.8
115.05472	1.7
117.07053	1.9
119.04964	1.5
122.03653	7.7
125.05978	1.4
128.06227	2.2
129.07051	7.6
131.04938	4.5
133.02853	4.2
137.05977	100.0
138.06311	3.2
139.05380	1.5
142.08572	2.1
143.04887	3.2
145.06487	2.8
147.04431	1.6
149.05951	3.6
151.03914	4.6
151.07600	6.1
156.07576	1.7
157.06496	6.4
158.07161	1.1
159.04431	1.5
160.05194	5.1
161.06065	2.7
163.07573	4.5
165.05513	3.0
167.07080	1.4
172.05179	4.2
174.06766	6.3
175.07556	18.0
177.05470	4.0
177.09129	2.1
179.06995	4.6
182.15497	1.4
183.07822	1.0
183.15712	1.2
187.07542	20.8
189.07434	1.6
189.09090	10.6
191.08556	3.4
192.09140	1.5
196.05164	6.9
197.05801	2.3
199.07602	2.7
202.07794	3.6
203.08578	20.3
204.09026	1.1
205.06544	2.3
205.08452	1.3
210.14848	1.4
211.07574	22.5
212.04771	2.5
212.07990	1.5
213.05348	2.7
217.08607	7.9
219.08060	9.0
220.08833	8.1
221.09575	1.7
221.96672	1.2
225.05566	2.2
227.06979	6.1
228.07703	1.9
231.08047	18.0
232.08734	5.7
233.05974	2.6
233.09470	1.7
234.06804	1.2
236.08421	2.3
237.09167	1.8
239.07024	20.8
240.07806	8.7
241.04855	1.3
241.08601	1.6
245.09637	1.3
247.07509	6.4
248.08348	25.6
248.10947	1.2
249.08928	3.3
251.10678	3.1
253.08745	2.7
254.09288	1.4
255.06467	6.7
256.07208	5.9
259.07617	9.3
260.08334	3.5
261.05820	1.2
261.09042	3.4
263.06833	1.5
263.10715	24.8
264.07831	2.0
264.11008	2.7
265.08606	4.6
268.07321	2.6
270.08911	8.0
271.09671	30.4
272.10056	1.8
275.06982	1.3
276.07825	12.3
277.08560	5.6
279.07056	1.6
279.10129	9.7
280.10794	1.7
281.08179	2.1
281.11694	1.1
283.09692	7.2
291.10147	53.5
292.10507	7.3
293.08136	6.8
295.09503	1.4
296.10373	3.9
297.11154	3.5
308.10547	5.5
309.10892	2.0
311.12781	9.1
313.14438	1.8
323.12808	27.3
324.13052	1.8
341.09717	1.6
341.13748	26.3
341.25006	1.5
342.14243	2.4
342.26294	2.1
359.03018	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	341.1573
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
50.63492	0.3
55.01878	0.4
55.05505	3.0
56.05049	0.4
57.07086	0.4
58.06589	1.3
67.05503	1.9
69.07057	0.8
69.60378	2.0
70.06591	2.8
72.08152	1.6
73.04752	0.7
79.05483	1.6
81.03422	0.7
81.07050	2.5
82.06582	0.5
83.04954	0.6
83.08613	2.2
84.08145	1.3
85.02338	0.3
85.02892	1.4
85.06541	0.6
86.09702	5.1
91.05415	0.5
91.05859	0.7
93.07029	1.7
95.04990	1.1
95.08601	1.7
96.08136	0.4
97.02851	0.6
97.06519	0.5
98.09656	0.6
98.22620	0.4
100.07588	0.5
100.11255	7.4
101.11596	1.5
101.37806	0.3
103.05496	0.5
105.07056	1.7
105.72807	0.5
107.04963	0.8
107.08585	1.2
109.10146	0.8
110.06052	0.5
110.07145	1.0
111.04461	0.8
112.07583	0.4
116.93495	0.4
117.07086	0.4
119.08571	0.6
120.08116	0.5
120.32799	0.4
121.10137	0.9
126.18866	0.4
127.03902	0.6
128.07065	0.8
129.06961	1.7
131.04935	0.6
131.08588	0.5
133.06532	0.4
133.10152	0.6
135.11691	0.4
137.05972	3.0
137.09711	0.5
141.11497	1.1
141.61658	0.4
143.08594	0.4
144.10245	0.6
145.06473	0.6
145.10136	0.4
147.06497	0.4
147.11679	0.8
153.05417	0.4
157.06529	0.4
157.10101	0.4
159.08044	0.7
161.05954	0.7
163.05994	0.5
166.08676	0.5
167.07077	1.2
169.10201	0.6
175.07527	0.7
177.09093	0.4
178.07672	0.4
182.15439	1.8
183.15727	0.7
185.09541	0.4
187.07523	2.5
189.09200	0.4
193.10104	0.5
195.11836	0.4
197.09605	0.5
199.17999	0.4
201.12401	0.7
206.07225	0.4
209.16599	0.5
210.14978	2.1
210.16774	0.6
211.11154	0.5
211.15154	0.9
213.17833	0.6
221.09636	0.7
223.11131	0.5
227.07089	0.4
227.17570	1.2
227.67618	1.8
229.12033	0.4
231.08023	0.7
239.07028	0.4
239.10609	0.6
248.08365	0.7
249.09074	1.2
249.18495	0.4
254.09813	0.4
257.11533	0.4
263.10706	0.5
267.10321	1.3
271.09641	2.2
277.08948	0.4
277.23056	1.7
279.10229	0.6
280.10577	0.6
280.92740	0.4
281.11685	1.3
285.11142	2.4
291.10257	1.1
294.08783	0.5
295.09668	1.0
297.11249	0.4
306.27753	0.4
309.11301	1.3
310.11978	0.5
313.10907	1.1
323.12793	0.4
341.15723	100.0
342.16113	6.6
342.26376	2.2
342.30112	1.8
343.30698	0.9
344.30890	1.2
359.11450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
55.70539	0.6
59.83085	0.7
60.48797	0.6
62.98256	10.7
67.05489	1.7
69.07112	0.6
69.43246	2.9
78.73484	0.6
81.07069	0.6
102.28037	0.6
109.10126	0.7
134.59059	0.7
145.23116	0.7
168.22029	0.6
232.94714	0.7
301.20004	0.6
308.43689	0.6
315.86536	0.7
317.19543	1.2
319.21179	5.4
323.19562	12.6
337.22211	5.2
341.20627	100.0
342.20825	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	341.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05506	6.3
56.05050	2.7
57.07076	6.6
57.27151	2.1
58.06610	2.5
67.05494	11.1
69.03407	2.7
69.07072	4.2
69.21067	18.4
71.04977	5.0
71.08609	5.0
72.08138	6.7
79.05482	8.0
81.07052	17.0
81.61546	2.1
83.04991	3.0
83.06078	2.8
85.06541	21.9
91.05479	8.9
93.07044	14.3
95.04953	4.0
95.08596	24.5
105.07037	13.0
107.08601	10.2
109.06552	3.8
109.10164	8.7
111.04458	2.5
111.08045	3.3
113.09725	2.9
115.48624	2.5
117.07001	4.3
119.08612	12.4
121.10157	6.8
123.08058	13.1
131.08551	3.5
133.10132	13.3
135.08069	9.8
137.05980	2.5
142.07761	3.6
143.08507	2.7
145.10077	18.3
145.80861	2.3
147.11687	3.3
151.07539	100.0
152.07967	2.8
157.10112	3.1
159.11670	6.2
161.09645	3.2
161.13266	5.2
165.09093	5.6
169.10056	2.9
171.11707	3.2
173.09654	3.5
173.13293	4.4
175.07571	7.1
177.09138	3.3
177.12750	2.6
183.11806	3.7
187.11089	2.6
188.08351	4.2
189.09094	22.2
191.10643	14.6
199.11311	2.7
201.09143	12.1
203.10599	12.0
205.35403	2.3
213.09038	3.8
213.12711	4.7
214.09735	2.4
215.10759	11.7
223.11015	3.0
226.09837	2.8
227.10637	6.8
228.11436	4.0
229.12267	22.8
237.16440	3.2
239.10599	3.2
239.14369	3.3
241.12254	12.2
243.13860	2.7
252.11374	3.8
253.12291	3.4
255.13759	5.6
256.14514	6.2
257.15320	10.1
265.16040	3.9
267.13779	6.3
268.14502	4.3
271.17023	2.8
279.98361	2.4
283.16898	21.2
284.17361	2.4
302.57144	2.2
308.17319	2.3
323.20007	14.1
323.35022	4.4
341.09723	3.9
341.21103	60.4
341.26572	9.4
341.35953	4.9
342.21182	3.7
342.30405	3.2
342.37289	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.40261	1.8
55.05505	17.1
57.07077	12.6
60.19275	2.2
64.96545	1.9
65.03948	2.1
67.05506	27.2
69.07071	23.5
71.04996	22.0
71.08627	4.6
72.08160	3.7
79.05486	21.0
81.07056	100.0
82.07404	3.0
83.08615	12.5
85.06537	6.0
85.10181	2.8
85.21977	2.2
86.06071	8.9
91.05462	18.6
93.07043	80.8
95.04968	6.0
95.08610	73.0
96.08958	4.0
97.10176	8.5
99.08065	2.5
105.07040	41.6
106.07338	2.2
107.08596	57.2
108.08948	2.7
109.06530	13.0
109.10152	43.4
111.08087	14.6
111.11746	2.4
113.09640	6.5
117.07034	7.3
119.08585	95.5
120.08936	4.6
121.10145	51.9
122.10511	3.2
123.08083	4.1
123.11720	22.8
129.07008	3.0
131.08578	20.1
133.10141	33.5
135.11696	30.8
137.09608	5.8
137.13245	6.8
139.11169	2.4
143.08546	7.9
144.09319	4.2
145.10118	28.6
147.11684	24.4
149.09615	3.3
149.13260	40.0
151.11189	3.4
155.08585	2.5
156.09422	2.4
157.10152	13.5
159.11691	53.4
161.13240	24.5
163.14832	30.0
169.10147	2.7
171.11681	13.1
173.13269	37.8
175.14841	15.7
177.12808	4.5
177.16412	6.8
183.11739	3.4
185.13307	7.5
187.14807	28.1
189.16350	15.2
191.14328	3.8
191.17952	21.3
197.13283	6.3
199.14886	9.5
201.16376	18.2
203.14253	2.3
203.17920	5.9
211.14851	6.3
213.16348	20.2
215.17967	12.5
217.16017	3.1
217.19576	3.4
225.16432	5.6
227.17915	19.0
228.18542	2.4
229.19550	7.0
231.17389	3.6
231.21155	2.9
239.17873	3.8
241.19658	3.4
243.21097	2.5
245.19209	2.8
253.19505	6.7
257.22699	8.7
267.21005	11.9
271.24292	4.7
281.22745	6.6
283.24191	55.9
284.24731	4.5
297.25790	4.0
323.23636	1.9
323.27310	53.9
324.27719	5.2
341.17331	14.5
341.28439	87.3
342.28372	12.3
342.37234	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.2
55.05513	46.9
57.07077	58.6
59.01906	4.6
62.42435	5.0
67.05489	26.7
69.07064	100.0
69.50648	24.9
71.08624	37.1
72.08149	31.4
73.82500	5.7
79.05505	11.4
81.07051	57.7
83.08617	55.2
85.06552	7.1
85.10174	23.9
91.05457	9.0
93.07011	13.3
95.08610	67.7
97.06534	14.1
97.10148	46.0
105.07030	19.8
107.08590	25.6
109.10194	32.8
111.08142	9.4
111.11689	14.1
115.07601	6.2
119.08585	20.4
121.10147	11.8
121.12787	7.9
123.08094	8.2
123.11688	14.3
125.13251	7.3
133.10085	13.8
135.11656	12.8
147.11797	7.6
151.11168	9.8
157.10144	5.7
161.13309	11.3
175.14856	6.6
179.14336	12.1
189.42870	6.6
201.12730	20.7
217.19308	6.8
283.24274	8.1
285.11224	9.4
297.18536	15.0
311.37851	6.1
341.17337	61.3
341.20743	6.3
341.26605	24.2
341.35956	8.5
342.30099	19.6
342.37299	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.3
56.05035	5.2
58.06607	22.9
61.02940	4.6
67.05509	13.5
69.03429	6.7
69.07071	11.3
70.06593	34.6
71.05011	6.5
71.30149	5.0
72.08158	35.0
79.05501	12.4
81.03429	9.0
81.06654	3.2
81.07055	19.1
84.08157	14.1
85.02916	43.0
85.08925	3.6
86.09709	22.7
91.05424	4.7
93.07039	11.5
95.04973	25.3
95.08612	10.0
97.02905	13.9
97.06535	5.7
98.06076	5.9
99.04482	14.3
100.11254	9.4
102.09195	8.6
103.03937	27.3
105.07040	9.2
108.08127	6.7
109.02875	7.0
109.10186	5.0
110.07178	7.6
110.09687	40.4
114.09181	3.0
117.07027	3.1
121.06493	3.7
122.09685	5.9
127.03930	31.3
128.10716	79.7
128.11639	4.9
129.10237	3.8
135.08076	3.1
137.05960	3.5
144.06572	18.4
144.10252	7.3
145.04958	29.1
163.06065	22.9
173.07458	3.7
183.09328	4.7
201.12344	3.5
214.18030	6.7
247.53290	3.2
249.18423	3.6
306.24219	4.1
324.25305	17.0
324.28906	6.1
342.26404	100.0
342.30057	41.0
343.26630	6.7
343.30533	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	342.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24976	4.1
56.96568	65.1
58.99857	3.9
69.58117	24.1
70.06600	31.5
72.08144	11.5
81.66964	4.6
84.08140	32.0
84.96001	5.8
86.09708	90.3
92.39533	4.3
98.97611	24.3
110.07150	14.1
112.64701	4.5
115.22472	4.0
116.98643	9.9
128.98607	5.1
129.10246	16.1
130.93279	11.7
132.10201	8.6
133.03450	4.5
137.06006	4.3
140.03806	6.3
142.05368	8.0
144.05087	4.3
144.08667	9.9
155.97954	4.0
158.04930	8.1
158.06627	4.5
158.92778	6.8
160.02760	4.9
160.06450	16.5
160.08156	8.4
162.09737	5.2
170.04865	5.8
171.03249	5.6
172.08258	8.4
172.94328	4.6
174.97664	4.7
185.11403	8.2
188.06004	11.8
189.04330	9.8
190.09319	6.8
203.12421	30.1
206.07002	31.8
207.05389	5.6
208.10301	17.7
215.12489	4.3
216.79361	3.7
224.08043	30.4
224.11374	5.6
226.12991	5.7
232.96445	4.8
265.60876	5.5
270.11960	19.6
272.13452	8.8
280.10315	7.1
288.04114	5.7
298.11374	23.3
298.19730	7.7
301.14218	13.3
316.12512	21.7
316.20865	24.3
318.01978	7.0
319.15387	100.0
337.16397	15.2
342.10443	12.8
342.18567	9.7
360.19675	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63742	3.1
54.58011	2.7
56.96571	3.7
57.03448	6.9
60.39485	3.3
69.17561	25.7
69.52448	2.8
70.06594	10.1
71.08620	3.1
72.77777	2.8
73.04756	4.9
81.07026	4.8
81.70907	3.1
84.08155	3.8
85.02903	9.5
91.05802	11.9
97.02842	3.3
99.08090	12.5
109.87056	3.6
110.07166	18.3
117.09134	100.0
132.08101	3.5
133.08430	5.0
163.09644	9.0
184.20546	3.3
201.49902	3.1
343.20706	3.6
349.36380	3.7
360.02567	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.6
58.06604	100.0
59.06939	1.5
70.06599	2.1
70.47048	0.7
70.47382	0.8
72.08164	1.2
73.05315	0.6
76.18123	0.3
78.63290	0.3
81.07058	0.4
84.08154	0.8
85.02898	0.8
86.09714	2.7
88.07623	2.3
91.05825	0.6
110.07156	0.6
116.07109	1.6
118.08666	2.0
126.09167	2.8
129.10275	0.4
210.86739	0.3
324.25354	0.9
342.22778	26.8
342.26489	4.6
343.22943	2.0
360.03433	0.4
362.82910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2388
Annotation	Ile Pro Ile
Peak:m/z	Relative Intensity
54.27966	0.2
58.06597	0.5
58.27278	0.2
62.06087	0.3
68.05013	0.3
69.07071	0.3
69.85664	0.8
70.06593	100.0
71.06924	1.4
72.08157	1.0
72.51284	0.2
81.07059	0.4
84.08134	0.2
85.02878	0.2
86.09707	15.0
93.07040	0.3
95.04943	0.4
95.08605	0.4
98.06059	2.0
98.22733	0.2
126.05499	0.9
128.10706	0.5
132.10201	0.8
136.00862	0.2
138.91249	0.2
155.15424	0.3
165.40340	0.2
167.15334	0.2
183.14931	10.1
184.15292	0.4
211.14421	8.2
212.14819	0.4
229.15471	50.7
230.15823	2.3
240.05725	0.2
252.26872	0.3
324.25275	0.3
342.23511	7.6
343.23471	0.3
350.58917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.05037	1.4
58.06602	100.0
59.06944	0.7
64.52092	0.2
69.61207	0.7
69.61594	0.4
70.06588	0.5
71.05003	0.3
73.05314	0.7
81.07047	0.2
83.32822	0.2
83.91529	0.2
85.02930	0.7
88.07634	2.1
91.05502	0.9
93.07066	0.5
103.05482	0.6
105.07089	0.2
115.05439	0.7
117.07066	0.4
118.08649	1.6
121.06523	0.3
122.03646	0.6
127.03915	0.3
131.04948	0.4
131.95369	0.2
137.05978	4.1
145.04948	0.2
145.06519	0.8
149.05997	0.7
151.03935	0.6
159.04436	0.4
160.05220	0.4
161.06023	0.2
163.05995	0.6
167.08659	0.2
173.06000	1.0
175.07549	0.6
176.06215	0.3
177.05536	0.6
177.07034	0.5
178.07884	0.4
179.08443	0.3
181.06480	0.3
186.03230	0.4
191.07001	0.5
193.06436	0.3
194.07283	0.8
195.07945	0.4
201.05447	1.6
204.05733	0.3
205.06526	2.3
206.07193	0.4
207.08109	0.6
219.04373	0.3
219.06313	1.3
221.06009	0.8
222.06731	1.9
223.07579	0.6
227.06985	0.4
233.05998	2.0
234.06854	0.7
237.09091	1.6
240.07903	0.3
249.05556	0.6
250.06229	1.5
251.07115	1.1
261.05453	0.2
264.07870	0.3
265.08658	3.0
267.06509	0.6
268.07187	0.4
278.05844	0.6
279.10150	0.4
280.86154	0.2
283.09637	1.7
292.07336	1.0
293.08075	3.2
297.11249	1.0
299.13446	0.2
307.09650	3.2
310.08456	0.5
311.09265	0.6
324.25345	0.4
325.10696	4.3
342.26392	26.3
343.11871	0.8
343.26825	1.9
360.02859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	O-[(5Z)-dodecenoyl]carnitine
Peak:m/z	Relative Intensity
55.05503	0.4
56.05043	0.6
57.03439	0.4
57.05812	0.3
58.06600	0.3
67.05509	0.5
69.07070	0.9
69.68916	0.1
70.06593	2.1
71.05002	0.2
71.07356	0.2
71.29684	0.1
71.30106	0.2
72.08155	100.0
73.08487	1.2
75.41690	0.1
79.05489	0.6
81.07047	1.0
83.04984	0.2
83.08630	0.2
84.08164	0.7
91.05476	0.3
93.07038	1.1
95.08591	1.0
96.08135	0.5
97.06523	0.6
97.10169	0.4
98.76947	0.1
100.07615	0.3
100.11229	0.2
101.08418	0.2
107.08574	0.2
108.08117	0.2
109.08874	0.3
110.09695	0.3
121.10146	1.0
122.09703	0.1
124.11227	2.3
135.08073	0.1
139.11211	0.3
145.10118	0.1
149.09717	0.1
149.91148	0.1
194.76189	0.1
203.12759	0.3
205.15880	0.2
213.14410	0.1
261.18478	0.8
274.97525	0.2
324.25320	2.5
342.26379	45.3
343.26694	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	342.3
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
53.03934	0.4
54.07235	0.3
55.01872	0.9
55.05513	4.7
56.05034	0.5
57.03434	2.0
57.07084	0.7
67.05503	5.6
69.07069	4.4
69.59565	1.3
69.59953	0.6
69.71378	0.3
70.06577	2.0
71.04993	3.5
71.07384	0.5
72.08155	100.0
73.08488	1.1
75.04504	0.4
75.16563	0.3
77.34389	0.3
79.05489	2.2
81.07057	5.1
83.04974	1.1
83.08624	3.5
84.08140	0.3
85.06531	0.7
86.09698	1.9
91.05495	1.0
91.06093	0.3
93.07051	3.3
95.04948	0.4
95.08612	3.9
96.08123	0.5
97.06530	2.6
97.10213	0.5
97.21455	0.4
98.23298	0.6
99.04459	0.6
100.07661	0.3
105.06992	0.4
107.08589	1.3
109.10168	0.7
111.08109	0.4
119.08585	0.6
121.10153	1.1
124.11211	2.5
135.11601	0.3
137.13173	0.3
147.14775	0.3
149.13232	0.7
176.12126	0.4
182.17236	0.3
195.17456	0.6
204.22224	0.3
212.55229	0.4
233.24701	0.3
246.18115	0.6
306.27737	2.5
324.28949	18.6
325.29321	1.8
331.84586	0.4
342.30023	65.5
343.30347	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	342.3003
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
51.76958	0.3
55.05508	0.7
57.07082	2.3
58.06598	0.7
60.93848	0.3
65.03940	0.6
67.05504	1.6
69.07062	1.1
70.06584	0.3
70.55608	0.8
71.08641	1.5
72.08147	1.1
83.08611	0.4
84.08144	1.6
85.08938	0.9
85.10168	1.2
91.05433	0.3
93.06989	0.7
95.04969	100.0
95.08604	2.7
96.05305	2.1
96.08105	0.5
97.06525	0.4
98.09705	0.5
102.09180	11.7
109.06535	0.4
109.10152	0.9
115.23041	0.3
122.09676	3.2
123.08089	0.4
123.10424	1.1
123.11720	0.5
129.77158	0.3
137.12010	0.4
140.10721	1.2
168.61928	0.3
169.15889	1.0
205.16388	0.3
207.26486	0.4
279.23160	4.3
306.24866	0.5
306.27966	4.6
307.28177	0.4
324.28964	25.9
325.29416	1.5
342.30020	31.3
343.30215	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	342.3003
Annotation	(-)-7-Hydroxyspectaline
Peak:m/z	Relative Intensity
53.03917	0.6
55.05510	4.8
56.05006	0.6
57.03437	4.6
57.07050	0.5
58.06602	4.4
58.06867	0.4
59.04954	1.0
60.37568	0.3
61.02888	0.4
62.84641	0.3
67.05499	3.7
69.03394	0.6
69.07064	2.6
70.06586	1.9
70.34488	0.8
70.34840	0.4
71.04993	3.3
71.07354	0.5
72.08154	30.2
73.06554	2.1
73.08437	0.3
74.50034	0.3
79.05494	5.2
81.07053	25.2
82.07340	0.7
83.06908	0.3
83.08614	4.6
83.27539	0.3
84.08143	5.6
85.02907	2.5
85.06489	1.1
85.08918	2.7
86.09696	1.8
91.05434	1.1
93.07050	2.1
95.04928	0.4
95.08604	14.6
96.08063	0.4
96.08886	0.4
97.10172	3.0
98.09689	1.5
99.08059	0.6
105.07013	1.7
107.08588	3.4
109.10155	1.5
111.11702	0.5
116.31115	0.3
119.08555	0.6
121.10132	2.2
122.09687	0.3
123.11647	0.7
124.11167	0.8
127.03916	0.7
132.88535	0.3
133.10097	0.4
135.11702	0.4
137.12303	0.4
137.13258	5.6
145.04895	1.1
147.11685	3.7
155.14244	0.5
162.07587	0.4
165.12709	0.7
183.13747	0.5
196.04218	0.3
196.17033	0.5
201.14848	10.3
214.17958	0.8
239.20096	0.3
267.10574	0.3
279.23206	1.7
324.28952	56.8
325.29263	4.2
342.30014	100.0
343.30331	8.5
359.65018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74726	0.4
54.50642	0.4
54.86995	0.4
55.05509	1.7
56.05026	0.6
57.03441	0.4
57.07079	15.4
58.06609	3.8
58.99316	0.5
60.04513	1.4
62.06092	3.3
67.05496	1.9
69.07063	1.8
69.29039	3.2
70.06593	0.7
71.04978	0.4
71.08633	8.7
72.08157	5.4
76.04388	0.4
79.05498	2.1
81.07059	11.9
83.08623	1.5
84.08149	0.5
85.10178	3.9
86.06052	0.7
91.05461	0.4
93.07026	1.4
95.04979	1.5
95.08604	5.2
97.10157	0.9
106.08632	0.5
107.08588	0.7
109.10159	1.9
120.28929	0.4
121.10126	0.8
135.11650	0.5
152.99422	0.4
156.17456	1.3
169.15860	3.6
174.18556	4.5
184.20630	0.5
206.82733	0.5
212.23804	0.9
230.24739	3.0
265.25229	6.2
268.29996	2.7
270.89673	0.4
283.26328	3.9
286.31036	13.2
287.31216	0.6
296.29553	3.4
324.28946	5.1
324.32562	1.3
324.35858	1.1
342.30206	3.4
342.37286	100.0
343.30197	0.6
343.37607	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	342.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90681	0.6
55.01889	0.7
55.05508	5.0
56.05024	2.1
56.54409	0.5
57.03439	1.5
57.06794	1.2
57.07073	21.5
58.06599	30.5
59.05000	0.7
60.04515	0.8
65.68127	0.5
67.05501	10.5
69.03426	1.1
69.07072	4.1
70.06577	2.0
70.44952	1.3
71.04990	2.4
71.07353	0.9
71.08627	13.7
71.65350	0.6
72.08155	12.8
74.06070	1.1
76.09012	0.6
79.05482	4.3
81.07054	17.3
82.06563	1.4
83.04965	0.9
83.08597	3.5
83.28523	0.8
84.08135	4.0
85.10184	6.4
91.05450	4.9
93.07036	6.3
95.04980	5.5
95.07359	0.8
95.08606	15.9
97.06526	1.8
97.10164	3.2
98.09693	1.4
102.09161	4.6
105.07030	5.6
107.08587	4.0
108.08100	1.3
109.06508	1.4
109.10174	5.1
110.09679	6.1
117.06998	1.6
119.08588	2.3
121.06469	1.0
121.10137	2.0
122.09634	0.7
123.08046	1.7
123.11695	2.1
126.37159	0.6
129.07004	0.7
130.07765	1.2
131.08566	0.6
133.10153	1.1
135.08032	1.7
135.11693	1.3
137.13341	0.8
143.08536	1.0
145.10104	5.5
147.07996	1.2
149.06015	0.8
151.07549	2.2
163.11151	3.6
165.09096	1.2
183.17432	1.2
197.19005	4.0
221.15288	1.6
240.23213	0.6
253.25233	0.7
279.26801	3.4
306.31418	0.7
324.29147	2.3
324.32568	61.1
325.32816	5.7
342.30099	6.3
342.33646	100.0
343.22720	3.6
343.33978	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	342.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24150	0.4
51.22952	0.3
53.03938	0.5
54.70563	0.4
55.05513	2.5
56.05033	1.7
57.03439	4.5
57.07077	14.4
57.71139	0.3
58.06601	5.8
58.24983	0.3
60.04523	0.9
67.05507	4.9
69.07066	3.3
70.06597	2.1
70.49144	0.3
70.55919	0.7
70.56265	0.8
71.04963	0.4
71.07349	1.1
71.08631	7.8
71.20962	0.3
72.08156	38.1
73.08476	0.8
74.06081	3.1
75.90097	0.4
79.05502	4.1
81.07056	23.2
82.06587	0.4
83.04986	0.4
83.08618	3.1
84.08147	7.6
85.08453	0.4
85.08951	1.9
85.10182	5.2
86.09672	1.2
91.05423	0.5
93.07061	2.1
95.04970	10.9
95.07314	0.5
95.08605	12.1
96.08142	0.7
96.08961	0.4
97.10178	1.8
98.09679	2.2
102.09180	5.1
107.08561	1.4
108.08057	0.9
109.08931	0.4
109.10156	5.5
110.09679	4.1
111.11664	0.5
112.11209	0.4
121.10127	0.7
122.09630	0.6
123.11704	0.9
124.11206	0.6
126.12762	0.7
135.11613	0.5
148.18756	0.3
169.15903	0.8
169.65086	0.3
183.17448	3.9
223.87709	0.4
246.15862	0.3
261.25693	0.4
273.55917	0.4
279.23526	0.5
279.26785	4.5
306.27988	0.6
312.28973	1.0
324.29126	3.5
324.32574	51.1
325.29535	0.5
325.32944	4.5
342.29926	17.2
342.33646	100.0
343.30222	2.0
343.33966	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	343.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92082	1.4
68.96700	1.9
69.27572	8.3
70.06596	38.1
72.08141	6.6
84.08145	3.8
85.02897	2.4
86.09709	9.1
87.05580	2.1
88.90916	1.6
91.05457	2.0
96.08118	5.1
98.23354	2.2
114.09185	13.4
116.07087	4.1
119.04944	3.0
129.10254	1.7
133.06499	3.5
137.05988	4.9
147.04391	11.0
165.05505	5.0
181.04732	100.0
182.05112	2.7
185.04205	4.3
200.13806	2.3
201.05576	2.6
205.06606	2.0
229.15489	9.1
233.05862	1.7
248.59036	1.9
265.08539	2.6
293.07874	2.4
307.09674	2.8
325.10638	4.8
343.09967	39.0
343.13943	2.9
343.26263	3.3
344.10403	3.1
344.24289	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	343.1022
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
70.06590	66.5
70.92815	27.8
72.08141	13.5
86.09690	15.0
89.03894	15.6
108.39393	13.4
109.91689	11.1
111.32922	12.0
135.04414	28.6
153.34680	11.6
163.03963	100.0
172.80127	12.6
181.04958	31.5
203.86235	13.3
271.73932	14.1
279.06384	29.9
354.54529	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
51.02396	0.5
53.03956	0.8
55.01879	2.3
56.05041	0.9
58.06601	100.0
59.06297	0.6
59.06940	9.0
59.07232	1.0
65.03944	1.8
67.05508	1.0
69.60080	2.2
70.06609	1.3
71.05013	1.1
72.08149	2.7
73.05296	1.1
74.84780	0.6
76.13647	0.5
79.05498	2.3
81.07058	1.2
84.08151	0.7
85.02910	0.6
85.95666	0.5
86.09708	0.6
88.07639	3.1
91.05473	9.3
93.03433	0.7
93.07072	1.7
94.04173	2.5
95.04954	3.6
95.08634	0.5
98.09660	0.5
100.11297	0.8
102.04699	1.1
103.05475	6.4
105.03423	0.6
105.04511	1.2
105.07030	2.6
107.04975	2.5
107.96338	0.6
109.06560	1.6
110.03691	0.7
110.09696	3.9
111.04461	1.4
115.05460	10.1
117.03456	0.7
117.07052	2.3
118.04208	1.0
118.08680	1.9
119.04924	2.4
121.02885	1.9
121.06516	5.7
122.03651	5.0
123.04470	2.5
125.06018	1.5
128.10715	16.5
129.07086	0.6
130.04181	2.2
131.04935	4.3
132.05743	1.2
133.02861	1.1
133.06522	2.4
134.03647	1.5
135.04440	2.2
135.93851	0.5
137.05978	53.6
138.06342	1.6
141.03429	0.6
143.04909	4.3
144.05681	1.5
145.06493	11.9
147.04453	2.0
147.08095	0.9
148.05196	0.6
149.05984	7.9
150.06734	3.0
151.03906	4.6
151.04980	0.8
151.07617	1.2
152.06250	1.8
153.05537	1.2
153.07022	2.3
158.03650	3.1
159.04413	4.5
160.05209	7.0
161.05988	4.1
162.03203	0.6
163.07547	0.9
165.07040	3.0
166.07828	2.4
167.07407	0.5
167.08493	2.7
168.05577	0.6
169.06508	0.7
171.04471	0.5
172.05173	0.7
173.05994	12.0
174.06642	1.2
175.03952	2.7
175.07527	10.8
176.04736	1.0
176.06277	3.4
176.60674	0.5
177.05495	4.5
177.07057	8.7
178.07742	5.3
179.08540	5.6
181.06490	3.6
181.30795	0.5
186.03128	4.9
187.03935	3.7
188.04619	0.7
189.05515	2.0
189.07039	2.5
190.07730	0.6
191.07094	3.5
191.08652	1.2
192.08983	0.6
193.04980	0.9
193.06520	1.8
194.07280	9.7
195.08031	4.8
196.08607	0.5
197.06020	1.6
201.05437	21.8
202.05865	1.0
203.07057	2.0
204.04184	0.9
204.05817	2.8
205.06474	27.9
206.07230	4.0
207.06529	1.7
207.08168	5.8
208.05246	0.6
208.08829	0.6
209.05994	2.1
209.09706	1.2
211.07542	2.6
212.04922	0.7
212.08044	0.5
213.09236	1.6
217.06592	2.2
218.05641	1.2
218.07494	1.2
219.06445	13.9
219.08098	1.9
221.05969	8.5
221.07790	0.6
221.09657	0.8
222.06757	20.0
223.07518	5.8
224.08269	1.4
225.05647	2.1
226.06331	1.0
227.07053	2.5
232.05304	1.6
233.05983	22.6
234.06693	8.0
235.05455	0.8
235.07465	3.1
236.04784	1.4
236.08347	1.8
237.09103	19.5
238.09625	1.7
239.07039	3.9
239.10797	1.1
240.07803	3.1
241.08618	0.9
247.07538	3.9
248.08391	1.1
249.05487	5.5
249.09251	1.3
250.06253	19.4
251.07008	11.1
252.07727	1.1
253.05110	1.3
253.08607	0.9
254.05878	1.8
254.09508	1.1
261.05502	3.3
262.06122	0.7
263.07062	1.3
264.07800	5.4
265.08603	41.8
266.09259	5.5
267.06638	5.5
267.09979	1.0
268.07281	4.7
269.08057	1.7
275.07220	0.8
277.05042	2.3
277.08591	0.8
278.05701	10.1
279.07019	4.2
279.09781	4.6
281.08261	1.1
282.08798	3.8
283.06506	0.4
283.09631	20.4
284.10211	1.6
292.07312	11.5
293.08069	35.6
294.08621	4.0
295.06079	2.7
295.09229	0.6
296.06790	0.8
297.07959	0.7
297.11209	12.5
298.11652	1.2
299.12946	1.0
307.09653	39.4
308.09888	3.7
309.07773	1.0
310.08392	5.4
311.09155	9.3
312.09744	0.8
325.10696	50.0
326.11014	4.6
326.26987	0.6
342.26389	12.5
342.30362	0.8
343.11771	11.1
343.26636	14.7
344.12158	1.0
344.24234	1.3
344.27933	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
55.01870	4.9
56.05015	2.7
58.06588	9.6
67.05498	5.2
70.06596	18.1
70.59502	4.1
71.04984	2.9
72.08155	7.8
79.05492	9.3
81.07067	16.0
84.08145	15.1
85.02927	2.2
86.09712	14.0
91.05466	22.3
93.07047	8.8
94.04180	3.1
95.04961	7.3
95.08618	6.0
103.05460	15.0
105.07066	3.2
107.04964	7.2
110.09668	3.6
110.86805	2.4
115.05439	16.5
116.07062	3.3
119.04910	6.3
121.06533	13.8
122.03668	8.2
123.04402	2.9
125.06035	3.5
128.10706	3.1
129.13902	2.3
130.04163	4.1
131.04932	9.0
133.02876	7.4
133.06551	5.2
135.04411	7.2
137.05983	82.1
143.04939	6.7
144.05621	3.9
145.06503	21.6
147.04437	6.3
147.08061	2.9
149.05983	18.7
150.06729	13.2
151.03900	9.0
153.05460	3.3
153.06984	4.7
158.03619	4.8
159.04453	8.2
160.05173	10.0
161.05959	7.3
163.07414	6.0
165.06979	6.2
166.07770	3.7
173.05956	26.1
174.06586	2.5
175.03905	6.0
175.07570	17.1
176.06226	4.7
177.05437	10.0
177.06990	13.9
178.07753	7.4
179.08568	7.8
181.06395	4.9
186.03128	8.9
187.03862	5.3
189.05473	4.5
189.06961	5.5
191.07013	5.3
191.08548	3.4
193.04974	6.4
193.06561	5.4
194.07294	13.0
195.08017	6.1
201.05452	39.9
203.05208	11.4
204.05714	4.6
205.04778	3.4
205.06512	51.0
206.07263	6.3
207.06360	5.2
207.08073	9.3
209.06027	4.7
211.07393	3.3
213.09209	4.0
219.06371	27.8
219.07785	3.8
221.06041	17.4
222.06766	29.8
223.07555	10.3
225.05380	2.7
227.07181	3.1
232.05273	4.8
233.05977	34.2
234.06694	12.8
235.07497	3.1
237.09091	31.8
239.07039	6.7
240.07738	5.3
245.08995	4.8
247.07513	8.0
248.08385	3.1
249.05600	12.8
250.06255	28.4
251.07097	15.4
253.08638	3.6
254.05812	3.3
254.21117	6.8
257.08551	2.5
261.05603	5.3
264.07867	12.2
265.08597	68.0
266.09146	9.6
267.06613	7.2
268.07254	7.2
272.22205	3.8
275.06921	3.7
277.04993	3.5
278.05698	17.3
279.06421	5.9
279.10126	6.9
282.08939	7.3
283.09659	36.3
292.07407	21.0
293.08084	63.8
294.08508	5.1
295.06149	3.8
297.11203	26.9
299.12888	3.6
301.10764	4.0
307.09653	64.0
308.10165	4.6
310.08286	6.9
311.09006	12.1
325.10718	91.2
325.24844	5.9
326.11118	6.9
326.26944	26.0
343.12778	14.3
343.22672	3.0
343.26117	28.1
344.15808	8.5
344.24640	5.0
344.27966	100.0
361.02600	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	343.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.3
55.05509	3.6
56.05039	1.6
57.31223	1.2
60.04528	1.2
61.02914	2.1
69.03425	2.8
69.07064	4.0
70.02957	2.4
70.06590	100.0
70.42760	3.7
71.06901	1.8
72.08155	9.8
74.06077	1.3
79.05469	3.7
81.03428	2.5
84.04490	2.6
84.08141	11.0
85.02898	13.6
85.04030	1.9
86.09702	88.3
87.05595	10.6
87.10053	1.6
88.03992	2.7
89.03940	10.3
91.05482	5.3
95.04948	1.7
96.08127	9.5
97.02871	3.1
98.02435	6.1
99.05572	2.5
101.30945	1.2
107.04963	5.6
110.02390	1.7
110.07145	3.2
111.04460	4.6
112.11236	2.2
113.10770	3.6
114.09170	11.5
115.04977	1.3
116.07089	45.2
117.03384	7.6
119.04954	8.2
120.08145	2.0
123.04432	17.2
125.07140	2.3
127.03883	1.8
127.08672	26.2
129.10242	9.4
131.04935	2.3
135.04401	23.6
137.02324	2.4
138.09097	8.3
139.03903	7.9
141.10210	13.8
143.11797	3.1
145.02832	12.5
145.04898	2.2
147.04405	39.4
155.08142	21.4
155.11816	19.6
161.05992	1.9
163.03900	78.9
163.11209	1.9
164.04230	3.7
165.05458	16.3
166.08672	1.7
173.09238	6.5
177.05487	1.8
177.06958	2.8
181.04951	14.9
181.06421	2.2
183.11301	12.6
183.14897	2.0
185.09206	2.3
195.08093	1.7
200.12074	3.0
200.13942	60.6
201.14317	2.1
203.03430	1.5
205.06519	12.3
205.77831	1.4
213.08751	2.4
223.07561	9.6
228.13419	13.4
229.15468	4.4
233.05998	9.3
236.13623	1.6
240.17105	2.3
251.07051	18.9
252.07486	2.7
255.06355	2.5
261.05481	4.4
263.06937	1.9
268.16617	4.0
269.08102	11.2
279.06503	31.3
279.09363	2.4
280.06952	1.6
283.06027	1.8
286.17346	2.2
297.07532	18.1
307.06000	4.5
309.14679	1.6
325.07129	12.9
325.18719	2.6
326.07498	1.8
326.17258	1.5
343.08344	5.1
343.13553	4.1
343.20108	3.0
343.26065	2.0
344.15829	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	4.6
55.01860	7.0
55.05516	19.2
57.03427	11.1
57.07071	16.3
59.04992	6.2
62.06091	4.0
67.05500	29.5
68.98849	4.0
69.03429	10.4
69.07053	8.4
70.06589	3.8
71.04989	22.3
71.08627	6.3
72.08152	56.3
73.08482	4.5
75.41775	3.6
79.05494	34.4
79.58883	3.5
81.07061	35.9
81.44417	3.2
83.04980	11.9
83.08601	6.0
84.08121	3.3
91.05471	38.4
93.07039	77.0
94.07360	4.1
95.04967	76.5
95.08606	93.3
97.06516	17.2
98.23447	7.0
102.09234	5.0
105.07032	92.6
107.04953	10.0
107.08598	69.5
109.06527	20.7
109.10146	6.6
111.08125	3.9
115.05442	7.6
117.07031	39.5
119.08579	35.0
121.06517	18.9
121.10162	27.1
123.08095	29.5
128.06239	8.5
129.06995	5.9
130.07809	18.3
131.08556	10.9
133.06444	7.6
133.10149	21.9
135.08037	30.3
135.11639	20.6
137.09570	6.2
141.45718	3.9
142.07866	4.3
142.44643	4.0
143.08583	11.0
145.10118	100.0
146.10519	6.1
147.08051	16.8
147.11664	4.6
149.09601	6.4
151.07538	61.8
151.08641	6.4
153.09300	4.0
155.08623	5.8
157.10147	11.7
159.08057	4.1
159.11700	12.5
161.09622	12.0
163.11185	82.0
165.09105	23.4
169.10136	6.2
171.11740	5.8
173.09593	5.9
173.13266	4.6
175.11125	6.4
177.09081	5.9
179.07101	4.8
181.10173	4.1
181.12169	4.3
185.13260	4.4
187.11147	5.8
189.12779	8.6
191.14330	4.0
197.13289	4.8
203.14330	12.8
207.13780	10.7
209.15421	4.6
215.14368	5.3
217.12181	5.9
221.15355	49.6
233.15347	6.6
263.16425	9.1
286.19299	6.3
291.16629	4.1
325.21851	17.4
325.32877	11.8
342.33636	6.5
343.18494	6.8
343.22675	94.9
343.30115	8.5
343.33987	24.1
344.22787	6.2
344.31598	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01868	6.1
55.05509	19.9
56.05019	7.0
57.03436	12.4
57.07084	20.3
58.06607	18.3
59.04992	5.6
62.06091	13.6
64.02921	2.4
67.05510	28.3
69.03436	10.0
69.07053	9.6
71.04999	16.8
71.08628	4.8
72.08157	100.0
73.08492	10.8
79.05490	27.4
80.05817	2.5
81.07053	42.9
82.07398	3.6
83.04975	6.1
83.08607	3.5
84.08134	12.1
85.06543	4.4
85.08486	2.7
85.10176	5.7
91.05479	33.5
93.06461	4.3
93.07044	63.8
94.03133	2.1
95.04972	52.3
95.08606	83.0
96.08931	4.4
97.06537	15.8
97.10152	2.0
98.09721	2.7
102.09176	58.0
103.09496	17.0
105.07035	72.9
106.07360	2.7
107.04955	6.6
107.07860	2.8
107.08592	48.9
107.98437	1.9
109.06528	15.0
109.10155	7.7
110.10509	3.0
111.08068	2.4
115.05449	6.7
117.07013	27.0
119.08586	23.8
121.06491	15.1
121.10156	12.2
123.08067	20.8
125.05937	3.4
128.06230	5.2
129.06993	6.9
130.07800	14.9
131.08568	7.9
133.06450	4.7
133.10123	14.0
135.08046	23.2
135.11688	13.4
137.09601	4.8
141.06969	2.6
142.07817	4.0
143.08546	10.0
145.10124	82.2
146.07283	2.1
146.10506	2.4
147.08008	9.9
147.11699	5.7
149.09674	4.9
151.07552	45.8
152.07755	2.2
153.09099	4.3
155.08633	2.7
156.09294	3.0
157.10115	8.2
159.11687	7.8
161.09584	9.6
161.13275	5.1
163.11185	66.7
165.09120	16.7
169.10005	4.1
171.11685	5.0
173.09648	5.2
173.13234	3.1
175.11214	4.4
177.09169	9.7
179.06995	3.8
179.10649	2.3
181.12280	4.1
183.11655	2.8
183.17450	2.4
185.13301	2.5
187.11111	4.8
189.09044	2.2
189.12708	6.0
191.10805	2.6
191.14235	3.5
195.11777	4.5
201.12738	3.7
203.14285	8.2
207.13808	8.8
209.13298	2.8
209.15358	5.0
215.14308	3.0
221.15361	26.4
223.14815	2.4
233.15463	3.6
240.23077	3.5
241.15970	3.9
243.13777	3.5
243.58476	2.2
255.17636	2.8
263.16412	6.8
269.15408	3.1
274.19016	1.9
278.61722	2.0
286.19296	5.0
324.32703	4.8
325.21664	11.2
325.29324	4.2
325.32877	29.5
326.30557	8.9
342.33554	7.1
343.18488	4.4
343.22675	68.6
343.30258	38.8
343.34030	66.7
344.23062	7.7
344.31491	42.2
344.35300	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.01308	1.7
53.03943	5.2
55.01870	5.9
55.05511	18.1
57.03444	11.2
57.07072	12.1
58.06594	4.6
59.04996	7.4
60.46444	1.7
62.06096	10.6
65.03935	3.4
67.05169	2.7
67.05499	26.3
69.03433	9.6
69.07072	11.1
69.31339	10.9
70.06592	2.0
71.04994	21.9
72.08154	100.0
73.08484	6.4
79.05497	21.8
79.64013	1.8
81.03399	3.1
81.07053	32.6
82.07374	2.2
83.04976	4.6
83.08601	3.1
85.06543	4.5
85.10187	2.9
86.09705	2.9
90.83138	1.7
91.05476	31.8
91.06019	3.0
93.07043	66.4
93.79578	1.7
95.04965	82.8
95.08608	79.6
95.09233	2.1
96.05296	12.0
96.08174	1.5
96.08838	1.8
97.06533	15.1
98.09681	2.2
98.22685	3.5
102.09177	4.1
103.05454	3.1
105.07027	71.9
107.05000	4.1
107.08593	52.8
109.06513	16.8
109.10133	9.6
111.08096	3.4
115.05450	6.0
117.07012	29.5
119.04946	2.1
119.08582	28.3
121.06519	16.9
121.10126	18.1
122.09718	2.0
123.08080	25.4
123.11739	2.2
125.05975	3.2
128.06207	2.7
129.06996	6.9
130.07758	14.8
131.08566	7.8
133.06520	5.2
133.10123	16.4
135.08047	23.3
135.11665	17.2
137.05971	4.2
137.09599	4.6
140.46651	1.7
141.07004	1.8
143.08598	9.4
145.06464	2.3
145.10120	83.9
146.10445	3.9
147.08041	16.4
147.11707	4.1
147.91937	1.7
149.09619	6.6
151.06387	3.5
151.07542	48.8
152.07866	2.0
153.09093	5.3
155.08540	1.8
156.09370	2.3
157.10130	9.0
159.08049	4.0
159.11722	6.3
160.08688	1.9
161.09583	10.0
161.13254	3.9
163.11177	66.6
164.11528	3.2
165.09119	19.5
167.08517	2.3
168.09261	1.8
169.10068	2.3
169.15854	2.4
171.11661	4.9
173.09627	2.1
173.13266	2.9
175.11209	3.9
177.09105	6.7
179.07031	4.4
179.08469	2.0
179.10835	2.1
181.12326	1.8
182.11032	1.9
183.11714	4.7
185.09650	2.4
185.13263	1.9
187.11180	3.6
187.14870	3.7
189.09045	2.3
189.12744	8.8
191.10594	2.5
191.14325	2.9
197.13330	2.1
203.14268	8.2
207.10129	4.0
207.13795	6.9
209.13396	2.0
209.15370	4.1
213.12828	2.0
213.16374	2.2
215.14273	2.5
217.12239	2.7
221.15363	27.9
223.14832	1.8
225.12914	2.5
225.16501	2.2
233.15234	2.5
243.13779	2.1
263.16473	5.7
269.15280	3.9
286.19339	5.0
287.16315	2.4
307.20529	1.8
307.28534	2.1
308.29358	1.9
312.29285	1.6
325.21591	9.3
325.29297	10.0
325.32571	1.7
326.30707	10.4
343.22672	72.6
343.30206	15.3
343.34070	3.3
344.22943	7.1
344.31573	51.6
345.99655	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00004	0.4
55.05519	3.2
56.05043	2.5
57.03440	1.3
58.06601	7.7
67.05505	4.7
69.07085	2.5
69.33503	3.0
70.06586	3.7
71.04996	0.6
71.07373	0.5
72.08164	2.9
79.05479	2.1
80.64996	0.4
81.07057	4.7
82.07369	0.5
83.08619	1.5
84.08141	11.8
85.02884	0.8
86.09697	1.3
88.07590	0.5
91.05452	0.6
93.07048	1.7
93.56224	0.5
95.08604	5.7
96.08121	0.6
97.10181	0.6
98.09685	1.6
105.07001	0.6
107.04990	0.6
107.08585	1.2
109.10161	2.5
110.09682	0.9
112.11266	2.1
121.10129	0.6
123.08033	0.5
125.63671	0.5
128.10687	0.6
129.10187	0.6
130.01901	0.5
137.05991	1.8
138.06358	0.5
138.83461	0.5
264.26892	13.7
265.08545	0.6
265.11377	0.6
266.24850	1.5
279.28156	0.6
280.26358	37.1
281.26794	2.9
282.27917	27.3
283.28229	1.3
298.27408	36.4
299.27707	3.0
308.25912	1.9
325.25269	0.8
325.28662	3.6
326.26889	5.5
343.29587	100.0
344.24194	2.2
344.28506	5.7
344.29361	5.4
361.02414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.1
60.05653	2.4
69.03419	1.5
69.07069	5.8
69.52640	8.4
70.06590	13.1
72.08154	83.6
77.09874	1.6
80.79827	1.6
84.08148	5.1
85.02892	2.6
86.09705	65.6
87.04448	2.5
87.05579	3.4
88.04005	5.4
89.06028	100.0
91.05473	7.5
96.34658	1.4
107.07084	2.5
109.41827	1.5
115.05021	2.2
116.07105	3.3
119.04968	10.1
120.08127	2.3
123.04435	2.2
129.10236	8.1
132.10216	2.0
133.08601	56.1
136.07576	5.3
143.11729	2.0
144.10197	2.0
147.04401	36.6
148.04733	2.1
157.09656	2.1
163.03929	1.8
163.06079	1.5
165.05455	14.9
169.09656	3.4
177.11205	17.4
182.08133	2.2
185.05579	4.7
186.12402	5.9
189.12366	3.4
200.13969	1.7
201.12474	2.2
203.06612	3.0
214.11819	6.7
221.13785	3.4
231.06061	3.9
239.14922	2.3
283.17484	3.5
326.23425	1.5
327.20096	22.1
331.18668	1.6
344.13321	1.6
344.24170	5.0
345.22235	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36594	1.2
57.03432	2.0
58.06585	1.7
61.02930	1.9
63.56996	1.5
69.03442	2.7
69.07066	2.9
70.06593	17.4
70.07892	4.9
72.08154	13.5
84.04489	2.9
84.08129	5.5
85.02902	14.7
86.09713	22.3
91.05488	5.7
95.04992	2.1
96.08143	4.5
97.02902	4.3
101.89127	1.4
104.99279	1.9
107.04954	3.3
109.02884	2.0
114.09179	10.4
116.07104	14.0
119.04946	19.8
123.04452	3.3
127.03918	3.2
129.10237	4.8
133.08647	1.3
137.05940	2.8
141.10262	1.9
145.04956	3.5
147.04416	100.0
148.04739	4.9
155.11787	2.7
165.05492	56.2
166.05820	2.7
180.08755	1.7
183.11357	2.5
188.26669	1.4
200.13904	7.6
201.12363	3.9
222.18503	2.1
270.09579	1.3
294.08145	1.3
308.22076	1.3
314.02975	4.4
344.24377	10.7
344.27905	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	344.2433
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
51.66719	0.2
55.01877	0.2
55.05511	0.4
56.01373	0.1
56.05034	0.7
57.03440	0.4
57.05821	0.5
58.06603	0.5
61.57203	0.2
64.27303	0.2
67.05502	0.7
69.03443	0.2
69.07069	0.4
70.06593	2.6
70.60896	0.2
71.20557	0.2
72.08157	100.0
73.08501	1.3
79.05502	1.0
81.07059	1.6
83.04994	0.2
84.08157	1.3
86.09718	1.8
91.05479	0.3
93.07056	0.8
95.08611	1.5
96.08150	0.4
97.06532	0.4
98.09670	0.2
100.07596	0.4
105.07039	0.7
107.04977	0.5
107.08578	0.3
109.06608	0.2
109.08888	0.2
110.09709	0.7
110.84932	0.2
111.08087	0.2
121.06525	0.2
122.09696	0.3
123.08086	1.3
124.11246	2.3
125.89620	0.2
127.07582	0.2
128.10710	0.8
131.08521	0.2
133.10043	0.2
145.10112	0.2
151.07545	0.7
159.97101	0.2
185.16461	0.4
192.49435	0.2
203.11824	0.3
205.12148	0.2
213.16003	0.3
259.82083	0.2
264.23108	0.3
266.21115	0.9
266.27216	0.2
282.24335	0.4
284.22263	0.3
308.22177	0.2
326.23264	1.4
326.26874	0.6
344.24304	49.2
344.27695	2.5
345.20682	0.3
345.24686	3.2
345.28339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
56.05038	0.6
57.05807	0.6
58.06606	0.9
69.07083	0.5
69.17027	0.7
69.17430	1.7
70.06600	1.7
72.08155	100.0
73.08504	1.9
81.07068	0.8
84.08139	1.0
86.09706	19.1
91.05518	0.6
93.07047	0.4
95.08591	0.7
96.08162	0.3
100.07626	0.7
107.04940	0.5
107.08615	0.5
108.08009	0.4
114.09195	0.3
123.27344	0.4
128.10709	0.4
132.10237	0.4
140.07005	0.3
146.11755	16.8
147.12051	0.7
171.14925	37.7
172.15289	1.8
185.16571	1.1
199.14421	16.5
200.14726	0.8
207.03377	0.4
236.59442	0.4
240.01685	0.3
245.18619	3.5
290.24695	0.4
291.07141	0.4
326.27032	1.2
344.24268	0.7
344.27783	3.6
345.22345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.66889	0.8
55.05508	5.0
56.05017	1.9
57.03439	6.3
57.07069	6.7
58.06593	2.1
62.06090	20.7
65.03929	2.4
67.05498	9.4
69.07066	9.2
70.06586	3.3
70.57087	2.1
71.05006	1.5
71.08638	4.7
72.04505	2.2
72.08154	95.6
73.08476	1.5
79.05492	24.6
81.07053	100.0
82.07362	2.1
83.04977	1.2
83.08620	5.6
85.06542	1.2
85.10143	3.1
86.09707	1.8
87.04475	1.7
91.05479	81.5
92.05810	2.5
93.07052	5.3
93.72076	0.8
95.04961	2.0
95.08604	14.1
97.06508	2.2
97.10159	4.6
98.09654	1.4
99.08106	4.1
102.09196	1.1
103.05472	1.6
105.07024	12.5
106.07352	0.9
107.04945	7.0
107.08585	5.3
109.10153	3.7
110.09686	1.1
111.08100	1.4
111.11674	0.9
115.05444	2.9
116.70939	1.0
116.79769	0.8
117.07012	79.1
118.07354	2.2
119.08582	3.1
121.06471	5.0
121.10131	3.7
124.11255	2.3
125.09639	2.0
126.09127	3.3
128.06206	3.4
129.07005	23.6
129.71825	0.8
131.08549	11.3
135.11722	2.4
141.06979	1.1
143.08549	27.8
143.09668	1.4
144.08867	1.7
145.10123	2.7
155.08530	1.5
157.10124	5.8
157.14070	0.8
159.11743	1.3
169.15849	2.3
171.11707	2.4
181.84389	0.8
183.11670	1.4
185.13255	31.5
186.13585	1.8
203.14304	13.1
204.14603	1.4
254.33781	1.2
281.22644	4.9
298.25238	2.2
299.23663	49.0
300.23956	3.8
308.29306	2.1
316.26331	14.0
317.26489	1.0
326.30365	12.2
326.33401	1.3
344.25851	6.8
344.31543	69.4
345.31628	4.3
349.06396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.66889	0.8
55.05508	5.0
56.05017	1.9
57.03439	6.3
57.07069	6.7
58.06593	2.1
62.06090	20.7
65.03929	2.4
67.05498	9.4
69.07066	9.2
70.06586	3.3
70.57087	2.1
71.05006	1.5
71.08638	4.7
72.04505	2.2
72.08154	95.6
73.08476	1.5
79.05492	24.6
81.07053	100.0
82.07362	2.1
83.04977	1.2
83.08620	5.6
85.06542	1.2
85.10143	3.1
86.09707	1.8
87.04475	1.7
91.05479	81.5
92.05810	2.5
93.07052	5.3
93.72076	0.8
95.04961	2.0
95.08604	14.1
97.06508	2.2
97.10159	4.6
98.09654	1.4
99.08106	4.1
102.09196	1.1
103.05472	1.6
105.07024	12.5
106.07352	0.9
107.04945	7.0
107.08585	5.3
109.10153	3.7
110.09686	1.1
111.08100	1.4
111.11674	0.9
115.05444	2.9
116.70939	1.0
116.79769	0.8
117.07012	79.1
118.07354	2.2
119.08582	3.1
121.06471	5.0
121.10131	3.7
124.11255	2.3
125.09639	2.0
126.09127	3.3
128.06206	3.4
129.07005	23.6
129.71825	0.8
131.08549	11.3
135.11722	2.4
141.06979	1.1
143.08549	27.8
143.09668	1.4
144.08867	1.7
145.10123	2.7
155.08530	1.5
157.10124	5.8
157.14070	0.8
159.11743	1.3
169.15849	2.3
171.11707	2.4
181.84389	0.8
183.11670	1.4
185.13255	31.5
186.13585	1.8
203.14304	13.1
204.14603	1.4
254.33781	1.2
281.22644	4.9
298.25238	2.2
299.23663	49.0
300.23956	3.8
308.29306	2.1
316.26331	14.0
317.26489	1.0
326.30365	12.2
326.33401	1.3
344.25851	6.8
344.31543	69.4
345.31628	4.3
349.06396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	O-lauroylcarnitine
Peak:m/z	Relative Intensity
54.84374	0.3
55.01866	0.7
55.05508	1.9
55.44316	0.3
56.05038	2.2
57.03443	1.7
58.06604	5.2
60.05016	0.3
67.05504	4.1
69.07065	1.7
70.06593	4.1
70.16965	0.5
70.17315	0.9
71.04996	4.1
71.06908	0.3
71.07375	0.5
72.08157	4.7
73.08405	0.3
73.16766	0.3
77.17326	0.3
79.05489	2.1
81.07063	6.2
83.04984	0.6
83.08582	0.4
84.08144	13.4
85.06523	0.5
85.08473	0.4
86.09711	1.3
88.07628	0.8
91.05479	1.8
93.06552	0.3
93.07042	2.1
95.08620	3.5
96.08147	1.2
97.06538	0.6
97.08907	0.5
98.09669	0.8
99.04452	0.9
104.99248	0.5
105.07022	1.4
107.04938	1.0
107.08602	1.5
109.10154	1.3
110.09699	0.6
111.08112	0.4
112.11260	1.4
114.09158	0.6
119.08586	0.8
121.10136	0.9
123.08082	0.3
129.10155	0.3
131.08592	0.5
133.10114	0.6
133.46225	0.4
136.11319	0.4
144.25906	0.4
183.13805	0.9
236.20139	0.4
264.23163	0.6
281.26712	0.6
308.25848	9.6
309.26129	0.6
326.26889	35.5
327.27261	2.5
344.27942	100.0
345.24313	0.7
345.28290	7.1
345.32471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75293	0.4
55.05507	2.3
56.05044	2.2
57.03438	1.9
58.06603	100.0
59.06935	1.5
60.05650	0.5
63.48862	0.3
65.10374	0.3
67.05500	3.8
69.03410	0.4
69.07069	2.0
69.36752	1.4
69.37176	1.0
70.06596	3.6
71.05000	1.2
72.08160	10.4
77.89359	0.3
79.05480	1.9
81.07063	7.1
82.06599	1.0
83.08633	1.0
84.08148	2.2
85.06560	1.1
86.09725	2.2
86.10186	0.4
88.07665	0.9
89.80287	0.3
91.05493	1.4
93.07051	2.4
95.04975	0.7
95.07356	0.7
95.08605	6.1
97.06538	1.2
98.09704	0.7
105.07072	1.4
107.04953	0.6
107.08622	1.0
108.08138	1.3
109.10177	1.1
110.09686	8.7
111.08089	0.5
115.08720	0.4
119.08603	0.8
121.10189	1.4
123.11739	0.5
126.12826	0.5
128.10773	0.9
133.10225	0.4
135.11731	0.8
136.80171	0.4
147.11714	1.1
161.13312	0.5
167.19597	0.9
171.15005	0.7
246.03946	0.4
276.05466	0.4
281.71619	0.4
308.25986	1.6
326.26938	6.9
326.30545	0.9
344.28104	65.9
344.31763	16.7
345.22672	0.8
345.28400	5.6
345.32077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	O-lauroylcarnitine
Peak:m/z	Relative Intensity
55.05518	3.8
56.05038	3.3
58.06608	29.9
59.72580	2.1
67.05505	4.8
69.07053	6.2
69.77501	9.3
70.06599	4.1
72.08165	23.3
79.05501	5.9
81.07075	16.6
83.10793	2.6
86.09711	2.9
93.07060	6.2
95.08619	8.7
98.23302	4.8
100.26626	2.3
104.99300	5.2
107.04971	5.3
121.10148	3.8
263.19946	6.4
326.26917	38.4
327.27289	3.9
344.23593	4.9
344.27948	100.0
344.31323	4.1
345.28442	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23135	0.3
55.05517	2.7
56.05040	2.3
57.03442	0.5
58.06602	2.9
59.66022	0.4
67.05508	2.4
68.05027	0.5
69.07069	2.8
69.84264	0.4
70.06598	5.8
70.49313	0.4
70.64304	0.8
70.64639	0.7
71.04986	0.9
72.08157	40.0
79.05504	2.1
81.05782	0.6
81.07054	4.3
82.06586	3.0
83.08611	0.4
84.08157	2.0
86.09708	30.6
87.10040	1.0
88.07632	2.1
89.98041	0.4
91.05435	1.1
93.07059	2.6
94.06573	0.8
95.07355	1.4
95.08600	2.6
96.08125	2.7
97.06530	2.6
105.07034	0.8
107.04949	0.7
108.08118	6.4
110.09683	31.7
111.10008	1.2
114.09177	5.7
119.08598	0.6
121.10091	0.5
123.08073	0.4
128.10718	100.0
129.11069	2.5
185.16493	13.3
186.16833	0.7
199.83183	0.4
213.15958	6.0
231.17053	0.9
245.18648	1.5
308.25882	1.0
326.23123	0.8
326.26886	8.9
327.70346	0.4
344.24228	10.2
344.27945	76.0
345.14352	0.8
345.24542	0.6
345.28287	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	344.3156
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
54.20576	0.4
55.05514	2.2
57.03433	2.3
57.06826	0.6
57.07082	4.5
67.05498	2.7
69.07072	3.1
69.62093	1.0
69.62489	1.2
70.06594	2.1
71.04978	0.6
71.07385	0.5
71.08626	2.5
72.08154	100.0
73.08491	1.1
79.05485	1.3
81.07064	4.2
83.08600	2.0
84.08155	0.7
85.10180	1.6
86.09714	1.9
93.07057	1.4
95.08606	6.2
96.08140	0.6
97.06538	1.6
97.10178	1.1
98.23309	0.8
101.08417	0.5
102.09167	0.5
107.08622	0.6
109.10170	1.9
112.24711	0.4
121.10168	1.3
123.11749	0.6
124.11220	2.7
129.23619	0.4
135.11671	0.8
135.66281	0.4
151.75975	0.4
156.94342	0.4
169.15909	0.8
191.42641	0.4
194.33527	0.4
197.18951	0.4
206.94073	0.5
221.13782	0.4
225.21921	0.5
244.96269	0.6
308.29449	2.7
309.29968	0.5
326.30530	18.4
327.30804	1.2
344.31595	57.4
345.31949	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	344.3161
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
50.21288	5.8
53.18093	5.0
55.05510	12.4
67.05505	13.4
67.45225	5.5
72.08157	100.0
81.07059	13.9
93.50372	5.7
95.08615	10.6
104.99289	16.1
107.04961	20.3
120.82790	5.4
262.98169	12.6
326.30731	15.7
344.31543	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
56.05033	0.5
57.03436	2.2
57.05830	0.6
57.06829	0.6
57.07084	5.1
63.02166	0.4
67.05511	3.3
69.07072	3.2
69.65180	2.4
70.06591	2.1
71.05001	0.6
71.07372	0.8
71.08633	2.9
72.08156	100.0
73.08488	1.3
75.05475	0.5
79.05497	1.2
81.07053	3.9
83.04958	0.5
83.08638	2.3
84.08143	1.0
85.10175	1.4
86.09715	2.2
91.05481	0.5
93.07043	1.4
95.08616	6.6
97.06535	1.8
97.10179	0.8
98.22736	0.7
99.53477	0.5
107.08591	0.5
109.10152	2.0
112.65628	0.4
121.10179	0.8
124.11224	1.9
135.11699	1.1
159.99251	0.4
169.15858	1.2
244.96187	0.8
262.22672	0.6
308.29504	2.8
326.30536	23.1
327.30963	1.1
344.31613	77.3
345.31931	6.3
350.26218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3159
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
53.03938	0.6
55.01862	0.6
55.05510	5.8
56.05042	0.6
57.03443	3.5
57.07076	1.7
58.06599	4.7
64.65237	0.3
64.92048	0.4
67.05177	0.6
67.05502	7.0
67.81159	0.4
68.88576	0.3
69.07066	6.1
70.06589	3.6
70.20303	1.2
71.04987	1.1
71.07364	0.4
72.04506	0.7
72.08152	21.4
79.05489	4.8
79.86529	0.3
81.03382	0.4
81.07053	19.1
83.04964	0.7
83.08613	6.3
84.08141	4.0
84.75724	0.3
85.02895	0.5
85.06557	1.8
85.08940	1.9
91.05476	1.4
93.07046	4.9
95.04999	0.5
95.08604	14.7
96.08089	0.4
96.08962	0.4
97.06525	2.0
97.10163	1.6
98.09677	2.0
105.07040	1.6
107.04980	2.0
107.08596	3.6
108.32481	0.4
109.10143	2.2
110.09666	0.6
111.08060	1.5
114.09178	0.4
117.22778	0.4
119.08564	1.2
121.10142	2.3
123.08018	0.4
123.11716	1.0
124.11270	0.9
125.09607	0.6
127.11205	0.4
128.67732	0.4
132.04784	0.6
133.10114	0.6
135.11702	0.8
145.10088	0.4
147.11624	0.8
149.13234	3.5
159.05859	1.0
161.13216	0.5
167.14294	1.0
175.14859	0.5
189.16376	0.5
211.81398	0.3
245.22591	0.8
261.12708	0.9
263.23721	2.9
308.26031	0.7
308.29398	4.2
326.27048	2.4
326.30487	43.0
327.30777	3.6
344.28488	4.1
344.31564	100.0
345.18341	3.2
345.22559	1.7
345.27908	0.7
345.31879	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	344.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.1
57.03448	3.0
57.07074	4.7
62.00023	0.4
67.05504	3.2
69.07065	2.3
69.51611	2.6
70.06596	1.8
71.04986	0.8
71.07385	0.6
71.08636	2.1
71.95149	0.4
72.08156	100.0
73.08492	1.9
79.05505	1.2
80.32131	0.4
81.07059	3.4
83.08624	1.9
84.08174	0.7
85.10195	1.9
88.73469	0.5
91.05494	0.7
93.07020	0.5
95.08608	6.3
97.06519	2.0
97.10167	1.2
109.10173	2.1
110.09716	0.6
121.10204	0.8
123.11707	0.6
124.11248	2.8
135.11687	0.7
142.80093	0.4
169.15854	0.7
208.76996	0.4
244.96199	0.7
308.29376	2.4
326.30530	18.7
327.30856	1.0
344.31619	60.6
345.31912	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	344.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43626	0.5
53.03942	1.3
55.01863	1.1
55.05271	0.7
55.05510	8.4
56.05029	1.2
57.03429	3.5
57.07067	1.2
58.06595	12.9
59.04978	0.8
65.03908	0.7
67.05502	7.8
69.07066	8.1
69.46843	3.5
70.06592	5.7
71.04979	2.4
72.08151	27.1
73.08477	0.9
79.05495	5.7
81.03394	0.7
81.06586	1.2
81.07053	21.4
82.07370	0.9
83.04987	0.6
83.08611	6.9
83.78023	0.8
84.08140	6.0
85.02893	1.6
85.06525	1.7
85.08918	1.7
88.07628	0.6
91.05464	1.5
93.07042	5.0
95.04961	0.8
95.08601	13.1
96.08125	0.9
97.06493	2.7
97.10162	2.0
98.09679	2.7
99.08088	0.8
105.07025	1.4
105.13328	0.5
107.04946	3.0
107.08568	3.8
108.08083	0.9
109.10137	2.0
110.09684	0.7
111.08067	1.4
112.98044	0.6
113.05965	0.9
119.08556	1.1
120.75041	0.6
121.10137	2.1
123.08063	0.9
123.11710	0.8
124.11227	1.2
126.12811	0.8
129.10252	1.0
133.10156	0.7
135.11700	0.9
137.13120	0.6
141.05486	0.7
147.11694	1.1
149.13264	3.2
165.09152	0.7
167.14270	1.5
205.12019	0.6
263.23734	0.7
281.25000	0.5
292.25278	0.6
308.25967	0.8
308.29419	2.7
317.14963	0.6
326.27087	2.1
326.30478	47.2
327.30853	2.1
344.28012	5.5
344.31564	100.0
345.22589	1.8
345.31888	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	345.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.0
58.34573	0.4
63.68002	0.4
68.05059	0.4
69.00919	0.5
70.06594	1.6
71.05744	0.7
71.06101	0.5
72.08157	1.2
79.05484	0.7
81.04562	0.5
83.06105	2.3
84.08170	0.5
86.03553	1.7
86.09688	0.7
95.06089	1.6
96.04480	0.5
104.05005	0.8
104.99274	0.8
105.03395	0.8
105.05737	0.4
106.06546	0.8
111.05576	4.8
112.08699	0.4
112.96544	0.4
117.05749	0.7
118.06542	0.4
120.04482	3.2
123.05556	0.7
125.05848	0.9
126.06657	3.0
127.06178	0.5
130.06557	0.8
132.04457	26.5
132.08102	1.0
133.04869	1.2
134.06033	6.6
137.04706	3.2
140.08223	0.5
148.03941	0.5
150.05511	4.1
151.06154	12.2
166.07249	0.8
172.86563	0.4
176.07066	0.6
177.04033	0.5
185.07109	0.5
187.08727	1.0
192.10606	0.4
194.06741	5.5
195.07478	1.3
202.09752	1.7
203.08202	1.4
206.06905	0.5
208.08345	0.5
216.11345	1.0
230.09261	2.0
231.07680	1.6
232.10789	2.9
233.14120	0.5
242.09276	5.3
257.10318	5.6
258.08554	0.5
259.11914	10.6
260.12067	0.8
277.13058	0.6
284.11462	4.6
285.09744	0.6
300.23157	0.4
301.14117	0.5
302.12466	17.1
303.12817	1.0
327.11972	2.4
345.13058	100.0
346.13339	8.1
346.22223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1448
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
55.05510	2.0
56.05043	0.8
56.96566	0.4
57.05825	0.4
58.06599	0.6
59.66708	0.2
60.05645	2.4
65.03957	0.3
67.55395	0.2
69.06764	0.5
69.07166	1.6
70.06592	17.2
71.04993	0.8
71.06931	0.7
72.08154	21.5
74.06091	0.3
81.03407	0.4
83.06097	1.3
84.04494	1.7
84.08144	6.7
85.02889	1.3
85.07634	0.2
85.84124	0.2
86.09704	16.8
87.10052	0.3
88.04025	0.3
88.07625	0.6
91.05479	28.3
92.05829	0.7
95.04979	0.4
95.06075	0.3
95.82221	0.2
97.02896	0.5
97.07649	0.3
97.58544	0.3
98.06065	0.5
101.07148	0.3
107.04953	2.7
109.06516	0.6
112.07561	0.2
112.08728	3.5
115.08698	1.5
116.07084	1.6
118.06557	1.4
118.08625	1.3
119.04941	18.6
119.84296	0.2
120.05270	0.9
121.06515	0.8
122.07115	0.4
123.04419	1.6
125.29057	0.2
127.08681	0.3
129.10237	4.7
130.08760	0.3
130.09706	0.6
132.04474	0.4
136.07574	100.0
137.07945	3.0
138.09135	0.5
140.08144	0.7
141.10220	0.2
142.09787	0.4
143.11810	3.2
144.06578	0.6
144.10252	0.6
147.04393	2.9
147.07680	0.5
147.11275	0.6
148.04765	2.3
148.07613	0.7
152.08240	0.5
155.08311	0.3
155.11827	0.4
157.10867	0.7
157.13350	0.5
158.09268	1.5
161.09225	0.7
161.12885	0.9
162.05495	1.4
165.05482	3.1
166.05954	1.1
169.13376	0.4
171.11310	0.8
171.14899	0.5
175.10619	0.4
175.11972	2.8
182.08127	3.8
182.12933	0.9
183.06226	0.3
183.11281	1.4
183.14928	0.3
185.12886	0.2
185.16483	6.1
189.12300	0.3
193.06694	0.2
197.10303	0.4
200.13887	0.6
208.06007	0.5
210.12338	0.5
211.15564	1.2
213.16017	2.0
215.11469	0.5
222.07585	1.1
225.17017	0.7
232.10339	0.5
232.14006	1.1
233.11270	0.4
246.15677	0.5
246.18094	0.3
247.12891	0.4
256.17569	0.5
257.16071	0.3
274.18628	0.7
296.61111	0.3
298.82446	0.3
299.13867	0.7
300.12308	0.3
302.12546	0.3
310.18640	0.6
327.20251	0.6
328.11588	0.5
328.19971	1.3
345.14038	2.1
345.22314	15.1
346.14423	0.4
346.22476	1.1
347.61810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05031	0.6
56.96574	3.2
57.02868	0.7
57.47382	0.6
60.05654	8.8
69.03451	0.7
69.07068	2.6
70.06593	52.0
71.04993	3.9
71.06915	0.7
71.28556	1.1
72.08157	13.5
75.05592	1.1
75.54025	0.6
82.99834	1.5
84.04502	1.4
84.08160	4.8
85.02888	0.8
86.09705	74.8
87.10042	1.4
87.29984	0.6
88.07601	1.2
95.06088	0.9
97.06553	3.4
98.06047	1.3
98.97579	2.6
100.02476	1.3
100.05099	0.9
101.00881	11.7
102.01000	0.8
112.08728	11.3
115.08706	5.2
116.07090	5.8
116.98669	1.4
118.03529	3.1
119.01920	26.6
120.02001	1.6
122.07140	0.8
127.08674	0.9
129.10240	1.8
130.03508	1.4
130.05022	1.4
130.09766	1.1
130.21126	0.6
131.01884	1.8
132.10193	1.9
136.07570	1.2
137.02937	4.7
140.08197	4.0
142.07112	4.4
143.11778	7.4
144.05089	0.7
144.08665	3.2
147.07639	1.1
147.11230	0.8
148.03990	0.9
153.10516	0.7
154.07098	2.0
157.10854	3.2
158.09245	4.9
160.08186	3.8
162.09753	3.1
166.04993	4.4
168.08722	1.9
169.13356	1.8
171.11263	1.3
171.14900	0.8
172.04590	1.6
172.08189	15.1
172.94337	1.1
173.06609	2.6
173.08250	0.9
174.09933	0.7
175.11917	11.4
182.16531	0.7
183.07639	2.6
183.14943	1.5
186.09753	29.4
186.11438	1.4
187.09882	1.7
189.12344	0.9
190.09258	2.6
190.95355	1.2
191.07686	2.1
196.08203	1.2
197.06592	3.0
197.10350	1.4
201.00894	0.8
204.10838	7.9
208.10349	1.6
211.15567	3.3
214.07526	1.7
214.09241	38.9
214.95447	2.4
215.07597	1.5
215.09409	3.6
215.11351	1.4
219.02014	1.6
225.17070	3.0
232.10307	100.0
232.14069	6.2
232.96425	5.3
233.08627	1.4
233.10568	7.6
239.16141	1.3
240.14455	1.5
243.01964	2.1
245.86116	0.7
246.15602	1.1
250.97475	2.2
255.01965	2.2
255.11980	1.0
257.17221	4.7
258.15271	0.9
261.03000	1.6
267.15567	1.6
270.19513	0.8
271.17661	0.7
273.02927	1.3
273.16562	1.5
274.18732	1.4
275.18213	4.0
285.16559	14.5
285.19592	1.1
286.17035	1.1
303.17633	63.7
304.17889	8.3
310.18820	2.4
321.18729	7.0
328.03888	1.2
328.19775	4.4
345.22415	62.7
346.04834	5.1
346.22803	3.6
364.05908	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	345.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
56.05047	5.4
57.03439	1.7
58.06599	2.3
59.04954	1.4
60.05631	1.2
60.23364	1.1
64.55426	1.1
67.05501	2.1
69.03441	7.1
69.07063	12.4
70.06591	8.3
72.08156	8.8
73.08494	1.7
74.06076	14.0
79.05476	2.8
81.03400	1.4
81.07052	23.5
82.06571	1.3
83.04972	4.0
84.04519	3.3
84.08151	1.8
85.02923	6.1
85.06548	4.4
86.06065	1.9
86.09702	56.0
87.05601	1.3
87.10029	8.9
93.07062	1.9
95.08595	5.5
97.02871	1.7
97.06513	2.7
98.22610	3.8
99.04479	3.4
99.08102	10.1
101.07146	14.1
105.07058	1.4
107.08625	2.7
109.06538	3.5
109.10154	2.6
119.08558	1.5
120.08108	1.9
121.10130	12.3
123.11717	5.5
125.09602	8.1
126.12859	1.4
127.07563	3.1
128.10727	2.4
129.11089	1.4
130.08731	1.1
132.10207	2.2
137.09569	1.5
137.13278	2.6
139.11197	10.6
142.12277	4.3
143.11784	6.6
147.11653	2.2
165.12721	6.0
169.13475	1.3
183.13802	100.0
184.14178	4.8
185.16570	2.7
186.16783	2.6
187.14409	63.6
199.18051	1.8
200.18420	1.7
214.16199	1.5
215.13925	17.9
222.74350	1.1
228.95503	1.6
245.18539	1.4
345.22491	5.2
345.28241	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	345.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.05044	1.6
57.03421	2.4
58.06590	2.6
61.02942	1.9
67.05505	4.6
69.03436	4.3
69.07069	8.0
70.06577	3.4
70.68547	1.3
71.28510	2.2
72.08157	5.1
74.06094	2.2
77.03961	1.3
79.05491	4.9
81.07062	12.0
82.07390	1.3
84.04534	1.9
84.08158	6.7
85.02911	7.5
85.06539	3.1
86.09721	8.0
91.05478	4.3
93.07037	3.2
94.04182	1.5
94.06498	1.5
95.08609	10.0
97.02907	2.4
97.06530	2.3
99.08089	2.5
101.07139	2.3
103.05460	1.9
104.99258	1.9
105.07066	5.3
105.37265	1.3
107.08604	5.6
109.06524	3.7
109.10158	8.9
110.09711	1.9
111.08093	4.8
112.07618	3.4
114.09178	3.7
117.06972	1.7
119.04912	1.6
119.08639	1.4
121.06506	1.5
121.10153	10.2
122.03652	4.5
122.07155	1.8
123.08075	5.2
123.11713	5.7
126.09176	1.4
127.03967	2.0
128.10750	2.4
128.41466	1.5
130.08641	10.8
133.06427	3.2
137.05983	58.0
137.09644	5.9
137.13246	2.9
139.11183	10.0
145.06477	1.8
145.53006	1.5
147.04382	8.0
147.11734	3.4
149.05978	1.8
151.07568	1.5
161.05998	9.1
165.12791	6.6
173.05975	3.3
179.07126	1.5
183.13814	100.0
184.14137	4.3
187.14389	10.2
191.07018	2.1
191.08607	1.7
215.13905	2.9
237.29297	1.3
253.08594	1.9
268.22720	2.3
273.02762	1.5
285.11328	3.8
327.12180	2.0
327.27194	4.2
328.24771	5.6
328.28296	2.1
345.15048	5.0
345.28131	15.0
346.25821	14.4
346.29620	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	345.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.2
56.05024	1.6
57.05809	0.9
67.51705	0.7
69.07112	8.7
69.07561	1.4
70.02957	3.5
70.06591	11.7
71.06902	0.7
72.08156	100.0
73.08490	1.5
74.02455	0.7
82.06585	3.2
83.06107	5.8
84.04504	7.6
84.08149	5.2
84.56324	0.8
85.03989	1.8
86.09707	56.9
87.05592	10.2
87.10040	1.4
88.04010	3.1
91.05518	0.9
96.08120	4.2
98.02413	5.9
98.09737	0.7
99.09232	2.4
102.05534	1.1
104.07089	6.3
108.25092	0.7
110.02399	4.7
110.06075	0.8
112.08711	0.8
113.10767	3.4
114.09166	1.9
115.05039	1.5
116.07108	2.2
118.08633	1.2
119.05002	1.2
124.03943	1.2
124.07534	4.4
127.08681	14.4
127.09544	1.2
129.06596	1.7
129.10246	3.4
130.08742	0.9
132.10193	4.6
136.07622	1.4
138.09160	2.7
139.09543	0.8
141.10220	20.5
141.11276	1.3
143.11804	2.1
144.06477	0.7
152.07091	3.2
152.10780	0.9
155.11761	4.3
157.13339	1.9
158.09273	0.8
162.07616	2.6
164.22276	1.0
166.08644	6.8
169.09726	11.1
175.10741	0.9
175.12012	0.9
183.11316	3.7
186.12381	39.1
187.10822	3.7
187.12489	1.3
196.14413	4.8
197.09224	3.5
197.12915	3.4
199.18117	1.2
200.13930	16.9
212.09183	3.8
214.11874	22.2
214.15355	1.2
215.10341	0.8
215.13979	1.7
224.14105	1.0
228.13496	4.1
229.11774	4.3
231.17145	0.9
241.15500	1.8
242.15073	1.0
246.14439	5.6
265.15408	1.1
269.14896	1.1
282.18158	3.8
311.15897	3.7
327.20462	2.4
328.19009	1.2
345.15240	1.9
345.22214	6.4
346.22260	1.3
346.26068	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	345.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
53.25632	0.3
55.05511	7.0
56.05034	0.6
56.27402	0.4
57.05817	0.8
60.05651	0.5
61.72344	0.3
66.33286	0.3
69.07071	2.2
69.72354	1.6
70.02932	0.6
70.06593	5.0
70.97667	0.3
71.05013	0.5
72.08154	100.0
73.07874	0.3
73.08487	1.0
82.02579	0.3
84.04503	1.4
84.08154	2.0
85.04033	0.4
86.09704	37.0
87.05581	4.7
87.10033	0.8
88.03971	1.5
88.07675	0.4
89.06034	3.3
90.06360	1.2
91.05489	0.4
94.95241	0.3
96.08130	1.2
97.71214	0.3
98.02375	0.7
99.09229	0.5
103.22430	0.3
104.07146	0.6
107.05104	0.3
110.02405	0.5
112.08714	0.7
113.10806	0.5
114.09148	0.7
115.05032	2.4
115.08665	0.5
116.07092	0.9
118.08667	1.0
124.07604	0.8
127.08680	1.4
129.10234	7.2
132.10182	2.9
132.10982	0.3
133.08621	1.3
134.08939	1.0
136.07629	0.6
138.09184	0.6
141.10217	3.3
142.08661	0.7
143.11781	2.8
144.06624	0.4
147.04480	0.8
148.04749	1.4
155.11862	0.4
156.10231	1.9
156.11394	0.4
157.09695	2.1
162.07640	0.4
165.05576	0.5
166.05835	0.5
166.08688	1.0
169.09723	3.6
171.11307	0.7
175.10655	0.5
175.11992	0.7
178.11508	0.5
183.11371	0.7
185.16518	0.5
186.12372	6.2
187.10811	2.2
187.12442	0.4
189.12375	3.6
196.14555	0.3
197.12837	0.5
200.13968	1.3
201.12347	7.2
211.15674	0.5
212.09248	0.8
214.11852	7.6
215.10280	2.4
218.04669	0.3
220.22708	0.3
228.13585	0.5
229.11899	1.4
231.17027	2.4
246.14447	0.5
247.12711	1.6
274.63794	0.3
327.20349	0.6
328.20297	1.1
345.14490	0.9
345.22351	3.7
346.26126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34088	0.8
53.03933	0.7
55.05511	10.1
56.05033	2.2
57.05821	2.0
58.06601	1.4
60.05649	2.2
62.48930	0.6
69.07066	10.4
70.02948	2.2
70.06593	30.1
71.06934	1.8
72.08155	100.0
73.08490	2.2
74.06071	2.4
82.06578	1.4
83.06096	0.7
83.21727	0.6
84.04495	3.6
84.08139	12.9
85.02912	1.6
85.04028	1.4
86.09705	98.1
87.05595	8.0
87.10052	2.6
88.03976	1.1
91.05473	1.6
96.08132	2.0
98.02420	3.6
98.22591	1.1
99.09207	2.5
102.05531	1.1
104.07117	0.8
107.04942	1.3
110.02390	5.5
110.06081	0.8
112.08746	3.1
113.10753	3.4
114.09172	1.0
115.05096	0.9
115.08673	1.5
116.07089	10.0
117.07397	1.6
118.08674	1.2
119.04949	1.8
120.08133	0.9
121.06479	0.8
124.03951	1.0
124.07632	1.6
127.08681	5.1
129.10234	10.9
130.08598	0.8
130.10663	1.1
132.10196	2.6
136.07567	4.8
138.09122	1.5
141.10217	9.8
143.11790	2.8
144.06586	2.5
144.10167	1.3
147.04401	2.5
148.04724	0.8
152.07042	2.9
155.11787	2.4
157.10789	0.9
157.13368	5.0
158.09294	1.0
162.07597	4.7
163.03908	0.9
166.08638	8.3
169.09717	6.8
171.11226	0.9
173.09109	1.1
175.11893	2.3
183.11322	3.3
185.12859	1.8
186.12392	8.6
187.10814	5.2
189.12370	0.8
197.09212	5.8
198.07639	1.5
199.18065	6.5
200.13914	8.4
201.12254	2.0
202.12608	1.4
203.13834	2.2
211.10757	1.9
211.15430	0.8
212.09200	5.3
213.12329	11.6
214.11847	18.2
215.10146	1.0
227.17522	2.9
228.13393	4.3
229.08467	1.3
229.11797	4.7
232.12895	0.9
232.14014	1.3
241.15450	0.9
241.93065	0.7
246.14461	8.9
281.07275	0.8
282.18140	5.1
300.19028	1.4
311.15897	0.9
327.19934	0.9
328.18790	1.8
345.15002	2.1
345.22202	12.8
345.26941	0.8
345.27954	0.7
346.22235	2.3
346.25879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	9.6
64.17550	3.5
70.06596	17.0
70.90163	5.1
71.66206	3.4
72.08157	14.6
84.04567	3.4
84.08151	5.4
86.09756	4.1
112.45736	3.8
120.00328	3.7
122.03682	3.4
198.50377	4.5
202.89098	5.6
204.89020	8.5
214.08247	7.9
217.00432	6.0
286.83487	5.3
346.04691	100.0
346.14648	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	346.1973
Annotation	Glu-Val-Val
Peak:m/z	Relative Intensity
53.03957	0.7
54.01815	0.5
55.05516	8.9
56.05030	2.1
57.05822	1.0
58.06612	0.6
58.81181	0.6
69.07069	5.4
69.18596	2.2
69.19016	2.3
70.06599	8.7
71.06926	0.5
71.34713	0.5
72.08158	100.0
73.08495	2.1
74.06081	0.8
74.33102	0.5
84.04508	14.5
84.08154	4.1
85.02885	0.8
86.09707	78.3
86.75340	0.5
87.10043	1.6
95.61086	0.6
102.05546	15.0
102.09196	0.7
110.07186	0.8
116.07099	3.0
118.08659	8.1
119.80563	0.5
120.06557	0.9
126.68649	0.5
129.10254	2.8
130.04988	0.7
138.09125	1.8
139.55252	0.5
144.06538	0.8
144.10201	1.8
147.04355	0.9
155.11769	1.5
156.10155	1.2
158.29803	0.6
158.69939	0.5
166.08678	1.1
169.13310	0.9
183.11311	12.2
184.09685	1.2
187.75307	0.6
199.18060	21.1
200.18335	0.8
201.12358	27.1
203.12076	0.8
215.13794	1.9
227.17519	7.1
229.11835	34.9
230.12125	1.7
233.14876	1.1
247.10736	0.8
247.12794	2.3
328.21970	0.7
331.68826	0.6
346.22260	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.2
56.05030	3.1
58.06604	6.8
67.05503	5.1
69.07092	3.6
69.13840	9.5
69.14246	5.2
70.02956	2.6
70.06601	7.4
72.07751	4.6
72.08157	86.8
73.02921	4.3
79.05497	6.3
81.07066	5.6
82.06580	9.2
84.08143	14.8
85.04060	3.9
86.09709	63.8
88.03993	16.1
93.07060	5.0
95.04970	24.2
95.08617	8.3
96.08142	8.5
98.02426	5.7
98.09703	3.3
102.09177	2.8
107.08618	3.0
109.10152	2.4
110.09714	3.6
110.62872	2.0
112.07590	2.9
113.10698	2.5
114.09218	4.5
127.08658	15.0
128.07018	3.9
128.10724	6.5
130.08614	14.5
132.10187	6.1
141.10249	7.7
142.08641	27.5
156.10185	4.8
169.09729	6.7
179.51135	2.1
183.11363	3.2
187.10782	100.0
201.12346	53.5
215.10272	19.3
229.11900	6.4
254.79861	2.4
261.22202	2.5
310.23810	5.3
310.27444	9.1
328.24796	18.0
328.28494	16.2
346.25824	35.6
346.29578	67.5
347.12592	3.3
347.29871	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	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
54.40490	0.4
55.01852	0.4
55.05503	0.7
56.05034	8.6
57.03427	0.8
57.05811	0.4
58.06604	5.0
67.05489	1.4
69.07067	7.0
69.49063	2.3
70.06589	2.3
71.46053	0.4
72.04505	0.4
72.08152	4.7
73.04031	1.8
74.06078	22.0
75.06413	0.5
79.05480	1.3
81.07045	3.0
82.06567	1.0
83.08635	0.5
84.04501	8.2
84.08139	2.9
85.07712	0.4
85.08910	0.6
86.06044	0.7
86.09702	66.6
87.10041	1.5
91.05489	0.8
93.07032	0.8
94.06552	0.8
95.05051	0.4
95.08615	2.1
96.08131	0.6
98.09698	1.4
98.23285	0.8
101.07139	19.9
102.05566	2.0
107.08559	0.8
109.02842	0.4
109.10156	0.6
110.06065	0.7
110.09666	1.3
112.07607	2.2
114.09142	0.5
119.08192	0.6
120.08064	0.5
122.09713	0.4
123.08080	0.9
124.11228	2.7
126.09146	1.7
126.12755	2.0
128.07117	0.5
128.10620	0.5
129.10220	0.5
130.08652	6.6
132.10184	1.6
142.12270	11.4
143.11787	5.7
144.10210	1.0
146.11754	7.4
152.10712	0.5
155.08177	1.8
169.13408	1.6
172.09723	0.5
173.09218	1.3
183.07642	1.4
187.14407	100.0
188.14774	3.2
193.15059	0.4
193.38687	0.4
194.15292	0.4
198.55905	0.4
212.16441	0.5
215.13901	17.6
216.14288	0.7
217.15459	0.9
230.15842	0.4
245.18616	2.0
247.12848	0.5
266.24762	0.8
268.22592	1.3
287.34726	0.4
310.23700	1.0
328.24896	4.5
328.28403	0.8
346.08102	0.8
346.18494	0.8
346.25943	11.3
346.29596	2.3
347.09000	0.7
347.26147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2336
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
55.94832	0.7
56.05039	9.0
57.03419	1.1
58.06598	5.1
62.37897	0.6
67.05492	1.0
69.06552	1.5
69.06994	3.8
70.06589	2.2
72.08161	2.9
73.81961	0.6
74.06084	24.7
79.05463	0.9
81.07039	1.8
82.06570	1.2
84.04503	7.3
84.08132	1.9
86.06058	3.6
86.09705	57.3
87.05602	0.8
87.10031	2.0
95.08587	1.0
98.09692	1.8
99.08090	0.8
101.07140	19.7
114.09142	0.7
120.08044	0.6
120.12181	0.6
121.10159	1.0
124.11220	1.8
126.09151	2.5
126.12790	2.0
128.10683	1.7
129.10228	0.8
130.08632	2.5
132.10199	3.3
142.12274	8.4
143.11787	7.2
169.13361	1.1
183.13832	2.5
184.14172	5.1
187.14412	100.0
188.14801	3.3
215.13913	29.1
233.14954	2.6
245.18640	3.2
328.24948	0.7
346.22327	0.8
346.25851	2.8
346.29553	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	346.2338
Annotation	Leu Ile Thr
Peak:m/z	Relative Intensity
55.05519	0.4
56.05034	1.0
69.07071	6.0
69.61141	2.0
70.06589	4.1
71.06926	0.5
72.08143	2.1
74.06075	1.4
84.04504	1.3
84.08161	2.5
85.02893	0.6
86.09705	100.0
87.10024	2.2
100.07634	0.5
102.05521	0.9
110.09683	0.6
114.09174	1.1
116.07057	0.5
119.04965	0.6
120.06587	2.0
120.08122	0.9
122.23804	0.4
129.10237	1.2
130.05023	1.4
144.10204	1.3
147.04399	1.0
171.93201	0.4
183.23927	0.4
199.18057	25.4
200.18445	1.0
215.13896	4.2
227.17543	8.8
233.14989	4.2
294.03040	0.5
328.22162	2.7
346.18494	0.8
346.22488	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	346.2376
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
53.03933	0.4
55.01851	0.3
55.05512	1.5
56.05027	1.0
57.07062	0.4
58.06591	1.1
59.62447	0.3
60.04515	0.4
63.81357	0.2
65.03947	0.5
67.04237	0.2
67.05509	2.9
68.05034	1.4
68.31940	0.2
69.07065	2.0
70.06591	2.8
71.04970	0.3
72.08160	1.5
79.05490	2.9
80.05021	1.3
81.05796	1.0
81.07054	2.4
82.06580	1.6
84.08159	1.3
86.09706	0.9
91.05485	1.9
93.05776	0.8
93.07047	2.1
94.06563	5.3
95.04951	1.1
95.07346	1.0
95.08597	1.3
96.08131	4.3
97.06516	0.3
98.23385	0.9
105.07026	1.4
106.06561	1.2
107.04939	1.1
107.07336	6.4
107.08498	1.2
108.07422	0.4
108.08120	5.3
109.02917	0.3
109.06500	0.4
109.08895	1.7
109.10128	0.5
109.83153	0.2
110.09684	1.7
119.08572	0.3
120.08104	6.5
121.06529	0.5
121.08891	0.7
121.10152	0.4
122.09668	4.2
123.04425	13.5
123.10453	0.6
127.09918	0.6
128.10716	0.3
133.06464	0.3
133.10120	0.6
134.09650	1.3
136.11230	0.7
137.05919	0.4
140.10747	0.6
142.85362	0.2
148.11195	0.5
149.05978	0.9
150.12703	0.3
161.05943	0.5
162.12779	1.1
163.07587	0.5
164.14232	0.3
166.74272	0.3
173.12854	0.4
175.07576	0.3
176.14337	0.4
190.15944	0.7
204.17477	0.6
206.19022	1.1
218.18977	1.7
286.57031	0.3
288.19620	0.7
300.22852	0.3
312.19595	0.4
326.21109	0.7
328.22672	27.5
329.23087	2.3
346.23737	100.0
347.24078	7.8
365.92853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2374
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
52.60214	0.2
53.03927	0.4
54.82845	0.2
55.01865	0.3
55.05506	1.2
56.05029	0.5
58.06580	0.5
65.03931	0.4
67.05504	2.9
68.05013	1.2
69.07067	2.1
70.06586	1.9
70.88984	0.4
72.08159	2.1
79.05487	2.4
80.05008	1.0
81.05789	0.7
81.07053	2.0
81.78600	0.2
81.82204	0.2
82.06568	1.5
84.08144	1.0
85.56951	0.2
86.09710	0.7
87.67133	0.2
91.05466	1.4
93.05785	0.6
93.07035	1.8
94.06566	4.9
95.04983	1.2
95.07343	0.9
95.08597	1.1
96.04472	0.2
96.08123	4.1
98.09688	0.3
103.05494	0.3
105.07025	1.1
106.06593	1.1
106.07255	0.2
107.04953	0.6
107.07336	5.6
107.08507	0.4
108.07409	0.4
108.08113	5.8
109.06512	0.2
109.08932	1.4
109.10138	0.2
110.09677	1.6
117.07037	0.2
119.08586	0.4
120.08099	6.0
121.06506	0.5
121.08929	1.0
121.10177	0.3
122.09653	3.2
123.04423	12.8
123.10479	0.4
124.04752	0.3
124.07612	0.4
127.09904	0.5
128.10721	0.4
132.19849	0.3
133.10133	0.4
134.09666	1.5
136.11185	0.8
137.05896	0.4
137.80751	0.2
140.10689	1.1
148.11201	0.6
149.05972	1.1
150.12756	0.4
161.05853	0.2
162.12839	0.7
163.07549	0.4
176.14383	0.6
182.10504	0.2
187.14320	0.3
190.15891	0.9
204.17459	0.6
206.19081	0.7
218.19040	1.5
224.20059	0.3
231.27716	0.3
288.19720	0.7
302.21014	0.3
310.27460	0.3
312.19516	0.6
318.24231	0.2
326.21042	1.1
328.22662	26.3
328.28101	1.2
329.23047	2.5
346.23724	100.0
347.24063	7.8
347.30197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.4
67.05508	24.6
69.07080	11.4
69.27512	54.7
72.08155	16.6
78.20436	9.0
79.05507	16.7
81.07051	19.6
91.05484	15.2
93.07063	18.1
98.23357	17.2
100.46975	10.7
105.07056	11.6
107.07341	11.7
107.08563	10.5
109.10148	16.7
137.14987	9.5
151.28584	10.5
155.10692	11.9
161.05113	10.1
173.11751	29.4
195.13753	15.3
212.98756	10.1
248.40335	9.7
264.96329	11.0
274.11847	11.0
275.19983	15.0
289.75336	10.1
308.25510	10.3
328.22809	36.1
346.23712	100.0
347.23602	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
53.03962	0.4
55.05516	6.0
56.05038	5.4
57.03436	1.0
58.06598	3.3
67.05508	6.8
68.05844	0.4
69.07066	3.5
70.06596	5.7
71.04955	0.5
71.29572	0.7
72.08160	3.9
74.06082	9.6
79.05488	4.6
81.05807	0.8
81.07063	7.9
82.06586	2.9
83.08622	1.1
84.04510	3.0
84.08134	2.8
86.06065	1.4
86.09708	25.9
87.10050	1.6
91.05482	2.3
93.07041	3.1
94.06565	2.7
95.08601	5.0
96.08132	18.8
97.06495	0.6
97.08941	1.0
98.09684	2.4
100.07607	1.0
101.07141	7.2
105.07002	1.1
107.08575	1.7
107.94923	0.4
108.08139	0.4
109.02848	0.5
109.10128	1.3
110.05930	0.4
110.09701	1.2
112.07588	1.6
114.09175	20.3
117.12923	0.5
119.08603	0.8
120.08173	0.7
121.10145	1.8
124.11219	0.7
126.09165	0.6
126.12778	0.7
129.10252	0.6
130.08647	7.4
132.10199	1.5
133.10086	0.7
134.06076	1.0
135.11699	0.6
138.12775	1.0
142.12245	4.0
143.11833	3.0
144.10245	0.6
161.53290	0.4
169.13388	0.9
174.49539	0.5
182.15343	0.5
187.14420	32.6
188.14862	1.1
215.13919	10.5
218.32436	0.4
233.15042	0.9
236.20195	0.6
245.18590	1.4
248.23732	13.5
249.23956	1.1
264.23236	27.5
265.23599	1.9
266.24765	6.8
267.25189	0.7
282.24298	12.0
283.24591	1.1
284.25833	6.4
292.22815	2.4
300.25339	8.0
301.31985	0.5
310.23810	4.8
326.71896	0.6
328.13022	0.8
328.24829	9.5
329.24966	0.6
346.25897	100.0
347.09134	1.0
347.22308	0.6
347.26266	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	346.2737
Annotation	Dihydroatisine
Peak:m/z	Relative Intensity
51.02383	0.3
53.03933	0.3
55.05490	0.7
56.05041	1.8
57.03431	0.4
58.06596	2.5
67.05509	0.9
67.18781	0.3
68.03671	0.3
68.04997	0.4
69.07063	0.8
69.60719	1.3
70.06593	2.6
71.04994	0.4
72.08157	2.2
79.05488	2.0
81.05807	0.6
81.07066	2.7
82.06583	3.2
83.92470	0.4
84.08138	1.6
88.07636	1.3
91.04987	0.3
91.05478	6.7
93.07068	2.0
94.06573	0.4
95.04976	1.1
95.07352	1.2
95.08614	1.2
97.06529	3.9
98.09686	0.6
98.23325	0.7
105.07035	1.3
107.08586	0.3
108.08133	4.9
110.09682	23.9
111.10025	0.5
117.07024	2.2
128.10716	100.0
129.06976	0.8
129.11040	2.6
131.08536	0.5
143.08572	0.9
145.10124	0.4
170.24461	0.4
174.63620	0.3
272.56213	0.4
300.55566	0.3
305.22418	0.3
310.24774	0.4
328.26230	10.0
329.26630	1.0
346.27399	65.0
347.27722	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	346.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
56.05035	2.3
57.03424	1.3
58.02941	0.4
58.06599	2.0
61.76762	0.4
67.05506	4.4
68.05030	0.5
69.07069	2.3
70.06598	2.8
71.04993	1.6
72.08140	1.4
79.05505	2.3
81.06651	0.4
81.07058	5.1
83.04977	0.5
83.08601	1.1
84.08144	6.0
85.06519	0.5
86.09685	0.4
88.07628	0.8
91.05472	0.9
93.07076	2.5
94.06548	0.9
95.04955	1.3
95.07328	0.6
95.08617	4.4
96.08138	3.4
97.06544	1.6
97.10165	0.8
98.09708	0.5
98.22449	0.6
105.07018	0.6
107.08578	1.1
108.08138	2.3
109.06551	0.5
109.08886	0.5
109.10136	1.0
110.09676	2.5
114.09153	2.1
119.08582	0.5
121.10120	0.6
122.09652	1.3
123.10403	0.4
124.11215	1.0
126.09177	0.4
128.10707	1.5
133.10106	0.4
135.11644	0.5
141.11491	0.3
229.15344	0.4
238.21613	0.5
248.23685	0.8
252.23148	0.4
264.23267	1.1
266.24487	0.5
270.24207	2.0
274.25452	0.3
279.23190	0.4
284.25934	2.3
292.26270	3.3
294.24438	0.3
300.25287	1.4
308.25952	0.7
310.23813	0.6
310.27377	13.1
311.27713	1.2
328.28461	54.9
329.28778	3.7
346.25980	6.5
346.29523	100.0
347.26065	0.4
347.29840	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	346.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.32986	0.4
55.01890	0.6
55.05509	4.6
56.04760	0.5
56.05038	10.1
57.03434	2.1
57.07088	0.6
58.06603	18.9
59.04993	0.5
65.03959	0.6
65.19238	0.4
67.05508	16.1
69.07070	7.8
69.11352	3.3
70.06583	2.0
71.04993	4.1
72.08151	1.3
79.05064	1.0
79.05493	9.9
81.07059	43.7
83.04987	1.3
83.08629	2.2
84.08147	2.4
84.27538	0.5
85.06541	5.5
91.05488	3.5
93.07035	5.8
95.05003	0.6
95.08607	26.4
96.08138	0.6
97.06531	2.0
97.10176	1.4
99.08090	1.3
105.07030	3.2
107.08578	3.2
109.06518	0.7
109.10172	2.0
110.09695	2.2
119.08556	3.0
121.10164	3.3
121.10888	0.4
122.09609	0.5
123.08089	1.1
123.11716	2.4
131.08607	0.7
133.10126	0.9
135.11711	1.0
137.13208	1.4
147.11685	4.6
161.65971	0.5
165.12724	2.9
176.15634	0.5
183.13815	1.3
279.23236	1.6
283.23380	0.5
292.26337	1.7
297.24347	0.9
310.27390	7.4
311.27902	0.7
328.28461	66.0
329.28775	4.8
346.29517	100.0
347.29865	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	346.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
56.05027	10.4
58.06604	18.5
59.22942	2.1
59.65113	2.2
67.05515	19.6
69.07068	8.4
70.06584	5.2
70.47121	5.5
71.05001	4.2
72.08164	3.5
79.05490	7.4
81.07056	37.4
83.08642	2.7
84.08145	6.7
85.06534	3.1
91.05483	4.3
93.07055	7.5
95.08620	23.1
97.06586	2.6
98.09719	2.2
98.94952	2.2
105.07049	3.2
107.08615	3.8
108.08174	3.4
109.10175	3.7
119.08643	3.0
120.08154	2.7
123.04433	6.0
133.10165	3.4
165.12764	2.5
173.60313	2.2
198.15739	2.2
310.27429	14.3
328.22668	5.5
328.28467	84.9
329.29001	4.0
346.23526	19.6
346.29617	100.0
346.33868	5.2
347.29886	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	346.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87708	0.3
51.94152	0.3
52.20167	0.2
55.05520	1.3
56.05042	1.8
57.03428	1.2
58.06601	2.1
60.52023	0.3
61.02905	0.3
67.05509	3.4
67.62466	0.3
69.07074	1.3
70.06590	2.0
70.43623	0.8
71.04984	0.4
72.08142	1.3
75.61561	0.3
79.05495	2.1
81.07053	4.0
81.37994	0.3
82.06570	1.0
83.04961	0.3
83.08613	0.5
84.08143	4.3
91.05467	0.8
93.07047	2.1
94.97126	0.3
95.07349	0.6
95.08620	1.9
96.08115	1.2
97.06525	1.5
98.09705	0.3
104.24444	0.2
105.07035	0.4
107.08580	1.0
108.08112	0.9
109.10146	0.5
110.09682	9.0
112.11241	7.8
114.09149	0.6
121.10114	0.5
126.12777	0.4
128.10715	29.0
129.11075	1.0
143.27707	0.2
187.74931	0.3
216.48236	0.3
238.22090	0.3
292.26364	0.6
310.27386	5.0
311.27704	0.4
328.28427	12.6
329.28763	1.0
346.29498	100.0
347.29822	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05516	4.4
56.05040	0.9
57.03440	2.0
57.07080	2.0
58.06598	1.7
59.04994	0.7
66.83930	0.3
67.05505	6.6
68.25259	0.2
69.07066	6.0
69.74908	1.1
70.06590	2.5
71.05017	0.6
71.07378	1.2
71.08626	1.2
72.08155	74.5
73.08485	1.1
79.05499	1.5
81.07054	7.5
82.06586	0.3
83.08620	3.8
84.08144	1.0
85.06545	0.8
85.10194	0.5
86.06081	0.4
86.09702	4.4
86.10182	0.4
91.05486	1.7
93.07043	1.2
95.08604	8.5
96.08146	0.5
96.08929	0.3
97.06540	1.0
97.10165	1.8
98.09717	0.6
98.23251	0.4
100.07623	0.7
101.08365	0.6
102.09184	1.2
107.08607	0.4
108.08121	0.6
109.10151	3.1
110.09686	2.8
111.08072	0.5
111.11745	0.8
114.09177	0.5
117.07067	0.3
121.10144	0.5
123.11726	1.1
128.10721	8.2
128.11641	0.5
131.08519	0.3
132.10220	0.3
135.11703	0.4
137.13293	0.4
202.42982	0.3
215.47662	0.3
215.98244	0.3
243.76260	0.5
252.26952	0.3
292.29990	0.7
310.31046	4.3
311.31433	0.6
328.26257	1.3
328.32074	14.4
329.32361	1.2
346.27570	6.4
346.33139	100.0
347.27731	0.7
347.33472	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	346.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05031	0.2
57.07082	7.8
58.06594	0.6
68.05024	0.4
69.07055	0.2
69.78425	0.7
70.06599	18.3
71.08637	3.8
72.08160	0.4
84.08138	1.7
85.10184	1.6
86.06084	0.4
86.09710	0.6
88.07639	18.8
91.05497	0.4
92.06381	0.2
93.77425	0.2
96.08146	0.3
102.09194	1.5
104.83631	0.2
106.08667	2.3
112.07685	0.2
114.09186	6.2
115.38693	0.3
118.08662	1.4
124.20589	0.2
130.08646	0.6
132.10211	23.8
133.10556	0.5
138.81792	0.2
150.11266	19.4
151.11601	0.4
164.24112	0.2
192.24541	0.2
264.99139	0.3
270.27933	1.3
284.29483	1.6
302.30527	6.4
303.30942	0.5
346.33170	100.0
347.33511	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05017	3.2
56.96568	8.1
60.04533	5.9
60.05635	1.9
60.95838	1.7
67.62971	1.0
69.07049	2.0
70.06596	12.4
70.55077	2.7
70.55406	1.6
71.06920	1.8
71.43521	1.2
72.08151	17.2
74.06056	2.8
76.07971	1.2
84.04502	4.2
84.08143	100.0
84.96014	2.5
86.09702	39.3
87.05598	2.9
87.10030	2.8
98.97587	9.0
101.00857	1.7
101.10761	2.9
102.96861	4.1
103.00645	2.1
110.07186	1.6
114.09192	1.6
116.07115	1.2
116.98648	2.7
119.01920	1.7
120.01969	1.8
121.01671	5.3
127.08664	2.3
128.10704	2.5
128.98619	1.3
129.10242	68.5
130.04984	3.0
130.08620	6.7
130.10571	1.3
130.93283	2.6
131.01833	1.5
132.97897	1.6
134.55731	1.4
139.02686	1.4
144.10172	3.2
147.07697	1.4
147.11269	8.0
154.93289	7.0
159.11299	5.6
161.12837	4.1
172.94370	7.3
172.98679	1.3
173.12872	8.7
174.07895	3.1
175.11908	2.6
183.14864	1.6
188.09586	4.4
190.95396	4.1
190.99544	1.9
192.09016	1.6
193.07559	1.6
196.94389	4.7
197.16476	1.7
201.04268	1.5
201.12427	2.2
206.07227	1.4
214.95404	18.4
215.09355	1.8
216.09030	8.3
216.13452	5.8
216.96991	1.7
216.98837	1.9
228.00768	1.4
228.17035	2.4
232.10162	1.8
232.96448	23.1
233.00595	1.8
233.10536	3.5
234.10049	18.1
234.99727	2.8
242.18520	2.0
242.94882	3.0
244.96455	3.6
250.97496	4.8
260.19672	1.7
260.96017	4.5
274.97510	1.6
280.57309	1.4
286.97464	5.4
287.16437	3.7
304.17694	2.0
304.98541	12.6
305.17474	16.3
322.99631	5.1
323.18475	1.5
346.22775	5.0
347.07486	27.4
347.23059	27.5
347.59451	3.6
348.10757	1.5
348.14792	1.9
356.60202	5.8
358.63202	1.4
365.06354	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0739
Annotation	Cassipourine
Peak:m/z	Relative Intensity
55.05505	4.8
56.05032	6.3
56.96568	4.9
58.99890	3.9
60.04521	4.9
64.00803	3.1
69.93684	10.8
69.94088	6.2
70.06593	11.0
72.08153	30.5
74.06079	12.1
83.06091	4.4
84.04497	12.4
84.08147	100.0
86.09707	23.9
87.05610	3.6
94.06565	7.4
99.28706	2.8
101.00880	9.0
110.19275	2.8
112.08733	3.6
112.84743	3.2
114.43972	3.1
119.01926	8.1
120.06608	3.5
128.10715	3.8
129.10239	65.7
130.04994	6.9
130.08636	10.5
131.01907	5.8
147.07666	6.2
147.11282	19.4
157.16838	3.3
158.09258	4.4
159.05057	4.7
173.12869	16.2
175.02750	3.5
183.05060	10.1
183.15048	3.3
185.03003	8.7
201.00826	4.7
201.12413	5.2
203.04001	7.9
219.01936	3.5
227.03998	32.8
235.35951	3.3
239.03992	5.8
245.05116	13.2
257.04922	3.3
303.09256	3.9
304.93137	3.7
346.22507	3.9
347.07306	85.0
347.11990	4.3
347.13467	5.1
347.23523	21.2
367.00458	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	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88152	0.3
55.05497	1.3
56.05033	3.5
56.96555	2.2
57.03426	0.5
58.06580	0.8
58.99851	0.4
60.04222	0.4
60.04525	6.7
60.05632	0.6
67.05490	1.1
69.02678	0.7
69.03078	2.6
69.03421	1.1
69.07075	1.6
70.02945	0.6
70.06262	0.5
70.06596	7.1
70.99839	0.9
71.04987	0.6
71.06916	1.0
72.08156	14.6
73.08476	0.7
74.06081	4.9
77.00895	0.3
81.03404	0.5
82.06564	0.5
82.99786	2.7
83.06084	1.0
84.04506	11.0
84.08144	62.5
85.02905	2.4
85.04850	0.3
85.06551	0.6
85.08467	1.6
86.09705	30.1
87.05595	4.1
87.10036	0.7
88.03995	0.4
89.00893	0.5
95.06081	0.4
96.04476	0.4
96.08084	0.4
97.02875	1.1
98.06059	0.7
98.23379	0.8
98.97577	1.2
100.07618	0.5
101.00880	16.4
101.07141	2.9
101.10789	2.6
102.00974	0.7
102.05544	1.6
102.09191	0.4
103.02418	0.4
105.00374	0.5
106.05030	2.0
107.04962	0.5
109.02876	0.4
110.07156	0.8
110.09661	0.7
111.09202	0.6
112.07590	1.2
112.08724	1.2
112.11263	0.4
113.00858	1.4
113.07153	0.4
114.09145	0.6
115.02444	0.6
115.05093	0.3
115.08679	1.1
116.07060	1.0
116.98619	0.4
118.08651	0.6
119.01923	28.1
120.01995	1.7
120.06570	0.9
120.08117	0.5
123.04443	0.7
125.02363	0.5
126.05511	1.0
127.02431	0.8
128.10721	3.3
129.06586	0.9
129.10240	49.0
130.05006	11.2
130.08629	4.2
130.10611	1.1
131.01894	3.0
131.08173	0.5
132.10190	0.9
133.01686	0.4
133.03433	0.7
136.06187	13.1
137.02939	2.5
138.05493	1.7
138.12816	0.6
139.08696	0.6
140.07060	0.5
141.03943	0.5
141.06561	0.4
143.01898	80.0
143.11775	0.5
144.02028	4.1
144.06549	0.8
144.10237	1.7
145.03458	1.1
145.09682	0.6
145.98497	0.9
147.07645	14.3
147.11275	6.4
148.06024	0.9
149.02946	0.7
155.01930	1.7
155.08025	0.4
157.03516	0.8
157.10884	0.4
157.13327	0.4
158.09261	0.5
159.05057	0.8
159.07683	0.9
159.11339	1.7
161.02957	100.0
161.12842	1.4
162.03093	6.1
163.03940	1.1
167.05478	0.4
168.06505	1.6
169.13411	0.4
171.05089	0.4
171.11279	0.7
173.01408	0.6
173.02979	2.1
173.09279	0.8
173.12857	17.4
174.04536	0.4
175.11922	0.8
179.00734	0.6
179.04077	0.8
179.05612	0.8
183.05087	0.8
183.14952	2.2
184.04608	2.0
185.02950	1.0
185.04909	0.4
185.06628	1.7
185.09210	1.8
186.04378	0.9
187.10796	0.5
187.14423	2.6
189.12386	0.8
197.06599	1.8
197.12901	1.5
198.12445	0.5
199.08267	0.4
200.13974	0.4
201.00748	1.1
201.12361	3.8
203.04007	46.2
204.04129	2.9
209.06592	1.1
210.16075	0.6
211.14418	0.6
214.95361	0.4
215.07590	0.8
215.14008	1.9
216.09877	1.2
216.13492	2.1
217.02284	1.5
217.08347	0.5
219.01927	1.2
219.13451	1.1
221.03168	0.8
221.04979	3.8
225.12361	0.8
227.04031	2.0
227.07602	3.0
228.13499	0.8
228.17068	3.2
230.12198	0.4
232.96539	0.7
234.10959	0.4
234.14474	0.8
242.18680	0.8
245.01772	2.5
245.05083	1.4
246.18269	0.4
248.79044	0.4
255.01900	0.4
257.01724	2.0
260.19727	0.6
263.02966	1.3
263.06226	0.9
274.97452	0.4
275.02905	0.8
287.02866	0.8
287.09744	14.5
288.10007	1.0
303.03726	0.5
305.10715	3.0
312.15637	0.5
329.18213	1.6
329.21762	0.5
330.20422	0.7
347.12006	4.6
347.23141	17.4
348.06934	0.8
348.23547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1851
Annotation	Gibberellin A24
Peak:m/z	Relative Intensity
51.49997	0.5
55.05536	1.7
57.03464	0.8
58.06618	1.2
60.04575	0.5
62.89218	0.6
67.05510	2.7
69.07120	1.2
69.35007	3.8
70.06624	0.7
72.08183	1.0
73.26177	0.5
76.49740	0.4
78.13636	0.5
79.05486	3.9
81.07049	3.4
84.08212	0.7
86.09760	1.9
87.10050	0.6
91.05483	4.3
92.05875	0.6
93.07037	5.0
94.06598	0.9
95.04990	0.9
95.08612	6.1
97.06587	1.9
105.07024	4.5
107.04983	0.9
107.07449	0.6
107.08574	3.6
108.08132	0.7
109.06577	1.5
109.10202	1.7
117.07079	1.6
119.04988	1.0
119.08578	4.7
120.08160	1.1
121.06542	1.7
121.10139	1.1
123.04476	2.3
123.08111	0.8
124.04795	1.3
127.09998	0.6
129.07036	1.4
129.36168	0.5
131.08597	2.4
133.06523	0.6
133.10184	2.2
135.04439	0.8
135.07982	2.4
137.09671	1.5
141.07008	1.2
143.08607	1.8
145.06480	0.9
145.10149	2.7
147.04187	0.6
147.08054	2.7
147.11713	1.1
149.09663	1.0
155.08626	1.8
157.10136	3.5
159.08063	1.0
159.11763	2.2
161.06015	0.5
161.09644	3.8
163.07567	0.8
163.11230	1.8
165.07018	0.9
165.09212	1.4
167.08649	1.1
169.10170	1.7
171.08112	1.0
171.11752	1.6
173.06030	1.0
173.09674	2.1
173.13071	0.7
174.13217	0.6
175.07547	1.2
175.11209	2.0
177.09142	1.4
179.08632	0.9
180.09299	1.1
181.10152	2.0
183.08131	1.0
183.11740	1.3
185.09660	2.3
185.13321	1.3
187.11259	1.9
189.09167	1.0
191.10733	1.3
194.10966	0.6
195.11678	3.0
197.09644	1.3
197.13327	2.0
199.11188	1.8
199.14882	1.1
202.43050	0.5
203.10704	1.4
207.11748	1.3
209.09680	1.4
209.13341	2.1
210.10307	0.8
211.11211	1.1
212.11827	0.9
213.12796	1.3
223.11214	1.3
223.14815	1.1
224.11989	1.0
225.12709	6.4
226.13214	0.7
227.10632	0.8
227.14249	4.5
227.17989	2.3
235.11079	0.7
236.11928	0.9
237.12718	2.6
237.16385	3.4
237.18475	0.6
237.68277	0.6
238.16885	0.6
239.14249	0.7
241.12387	0.6
241.15869	1.0
243.13914	1.1
245.15334	0.8
247.14804	1.7
253.16028	1.1
255.13704	1.4
255.17456	7.4
256.17789	0.7
258.18729	0.7
259.16898	2.7
265.15866	8.6
273.15076	0.8
273.18451	9.3
283.16940	20.1
283.20157	1.1
284.17154	0.8
301.17969	100.0
302.18314	8.7
329.17349	1.8
329.23004	5.8
329.28793	1.0
344.21725	0.5
347.18530	2.8
347.24039	22.6
347.29193	1.1
347.29959	1.1
348.24643	1.4
353.18048	0.5
360.24683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43769	0.6
55.01859	1.7
55.05515	3.6
56.02951	0.6
56.05028	4.8
56.96549	0.7
57.03429	1.6
58.06586	1.4
60.04527	17.6
61.01153	1.7
67.05490	1.7
68.05034	1.0
69.03425	4.8
69.07067	46.8
69.35178	4.9
70.02949	1.1
70.06590	15.1
71.04957	0.9
72.08157	30.4
73.08486	0.8
74.06078	3.0
81.03404	2.6
84.04497	15.4
84.08145	9.8
85.02901	20.0
85.08479	1.5
86.09705	25.0
87.05587	1.3
87.10028	3.0
88.03986	2.7
91.05470	1.0
95.04958	2.7
96.08117	1.0
96.16991	0.7
97.02881	7.1
97.06542	5.0
98.02412	0.9
98.06052	1.6
99.04496	0.7
101.07118	1.2
102.05543	13.2
103.03926	1.1
104.05325	3.2
105.06607	1.4
109.02866	2.6
110.02421	0.7
110.07161	1.6
110.09654	1.3
112.07591	8.5
116.07103	6.8
120.06583	23.7
123.04424	2.8
126.05487	2.5
127.03936	3.4
128.10674	1.0
129.06593	1.2
129.10242	4.9
130.05002	0.7
130.08612	0.8
130.10574	1.5
132.10193	2.1
136.06181	5.4
136.07648	0.9
138.09137	5.4
138.96069	0.7
140.07063	44.4
141.07365	1.1
141.10216	1.5
144.06554	1.1
144.10289	1.1
145.04878	1.3
147.11295	0.8
148.06076	1.2
154.04897	0.6
154.08615	1.8
155.11766	1.7
156.10197	5.6
158.09219	0.9
159.11304	0.6
160.07925	3.0
168.06560	100.0
169.04936	0.9
169.06885	4.1
173.07420	1.1
173.12827	4.9
175.11899	1.2
175.80826	0.7
182.08128	12.2
183.11284	14.1
184.09819	0.7
184.11659	1.0
186.07616	13.5
189.08702	2.1
201.10458	1.5
201.12340	30.2
202.12560	1.2
205.09962	1.0
206.08124	0.9
210.07616	22.9
211.08093	1.2
211.10748	3.3
216.09724	0.8
217.08229	2.2
217.10074	0.8
217.11850	2.6
228.08595	2.2
229.11790	5.4
233.09634	0.8
234.07588	3.1
252.08688	1.4
264.08612	1.1
276.08752	1.9
293.63495	0.7
312.15576	1.6
348.16574	2.3
348.23666	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	348.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.5
58.06601	100.0
59.06954	0.8
62.60183	0.7
67.80930	0.6
69.28266	4.9
70.06594	17.7
70.06961	1.2
72.08163	1.7
79.05479	0.7
81.07067	1.0
84.08142	0.8
85.54174	0.6
86.09681	1.4
98.23312	0.9
103.05499	1.0
110.07176	1.6
116.07093	37.9
117.07417	1.0
120.08106	22.9
121.08413	0.8
134.05997	3.4
136.06175	6.5
136.07028	0.7
145.39360	0.6
148.07613	1.4
162.05550	2.2
164.07095	1.1
200.96034	0.7
205.13362	21.5
205.15227	1.2
208.06084	5.7
214.08678	1.1
228.10190	0.9
233.12854	10.4
234.13266	0.7
240.10251	1.8
242.07967	1.1
256.09802	2.1
263.13892	9.1
266.08197	0.8
268.09787	0.8
284.09058	4.6
312.08643	1.2
330.09906	2.0
330.26407	1.1
348.12723	2.8
348.27487	2.0
349.12665	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	348.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
56.05044	1.6
58.06602	15.5
67.05479	0.7
69.40770	0.5
70.06588	2.5
71.28539	0.9
72.08146	3.5
79.05508	1.1
80.05744	0.7
81.07047	1.1
82.06572	0.9
84.04524	0.6
84.08148	4.0
86.06118	0.7
86.09710	0.7
91.05476	1.6
93.07058	1.2
95.08573	0.6
97.02906	0.8
98.09710	1.4
108.08110	5.9
110.09678	1.7
114.10335	0.7
120.08052	0.9
126.09142	7.9
128.10716	1.2
129.04732	0.6
136.06192	12.7
144.10194	28.9
145.10542	1.1
150.39346	0.5
201.38031	0.5
208.49286	0.6
209.13983	0.8
234.18532	0.6
243.50592	0.5
252.19604	1.6
253.48268	0.6
270.20688	4.3
286.23727	1.1
288.21716	5.3
312.21664	2.4
330.22723	7.3
337.20999	0.5
348.23795	100.0
349.09311	0.6
349.18158	0.5
349.19788	0.7
349.24139	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	348.2532
Annotation	Dictysine
Peak:m/z	Relative Intensity
51.70114	0.3
55.05507	1.3
56.05022	0.6
58.06603	0.6
63.83694	0.3
67.05511	2.5
68.05025	1.6
69.07068	2.3
69.19453	0.8
69.19876	1.1
70.06594	2.1
78.31570	0.3
79.05502	2.2
80.05022	0.8
81.05787	0.6
81.07059	1.6
82.06580	2.0
84.08146	0.5
91.05490	0.9
93.07045	2.5
94.06577	2.2
95.04957	0.9
95.07343	0.9
95.08611	0.8
96.07559	0.4
96.08138	7.2
98.09724	0.3
107.07348	0.3
107.08579	0.7
108.08109	1.9
109.08913	1.0
109.10147	0.3
110.09688	2.2
111.04419	0.3
120.08121	0.6
122.09678	1.1
123.04436	17.3
123.10456	0.5
124.04784	0.4
124.11210	0.4
127.76802	0.3
137.06009	0.4
140.10721	0.7
163.07555	0.4
220.20517	0.5
229.54817	0.3
280.63577	0.3
290.21191	0.9
312.23224	0.4
314.21021	0.5
328.22681	2.4
330.24268	29.1
331.24561	2.3
348.25327	100.0
349.25668	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	348.2532
Annotation	Dictysine
Peak:m/z	Relative Intensity
54.40194	0.1
55.05519	0.2
56.05037	0.3
58.06595	0.8
62.19214	0.1
65.03944	0.7
66.92922	0.1
67.05505	1.7
69.03428	0.2
69.07065	0.4
69.37077	0.1
69.41477	0.7
70.06595	0.4
71.04996	0.3
72.08157	3.5
79.05482	1.0
81.07053	0.8
83.04978	0.8
84.08141	1.7
85.08929	0.6
86.09717	0.4
91.05478	10.3
92.05836	0.2
93.07056	1.0
94.06596	0.2
95.04965	100.0
96.05301	2.0
96.08114	0.8
97.06539	0.7
98.09699	0.5
98.22569	0.2
99.04480	0.2
100.11272	0.3
102.09177	10.7
103.09558	0.2
105.03361	0.2
105.07033	0.6
107.04960	0.5
107.07357	0.2
107.08598	0.2
108.08102	0.1
109.06491	0.2
109.77644	0.1
110.09669	0.4
114.09155	0.5
115.05510	0.2
115.11802	0.1
117.07011	1.9
119.08560	0.3
119.66010	0.1
122.09662	3.7
123.10461	1.0
126.09216	0.2
128.10716	0.3
129.06992	1.4
131.08569	1.0
133.69276	0.2
136.11214	0.4
140.10695	1.5
141.06972	0.3
142.07622	0.1
143.08559	0.4
145.10078	0.2
157.10133	2.0
175.11217	1.6
195.11678	0.3
196.45383	0.1
227.14314	0.4
228.41586	0.1
231.25706	0.1
245.11325	0.1
267.17273	0.3
275.60376	0.1
285.18472	4.0
286.18857	0.3
294.81522	0.1
312.23203	4.7
313.23560	0.4
330.24252	23.2
331.24612	1.9
348.25296	28.6
349.19852	0.5
349.25665	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
58.06615	1.7
59.64492	1.3
66.42407	1.3
67.05499	8.3
69.07063	2.8
69.87337	5.6
72.08156	7.6
79.05489	3.9
81.07042	6.5
83.08614	1.6
84.08147	3.0
88.82870	1.3
91.05488	14.8
93.07055	5.2
95.04971	100.0
95.08595	2.8
96.05326	1.7
97.06560	2.3
97.10162	2.1
99.12818	1.3
102.09180	8.5
102.75962	1.3
103.38094	1.3
105.07066	1.4
107.08597	2.6
109.10157	5.9
114.09171	1.4
117.07033	2.0
119.08572	1.8
122.09677	3.1
123.10419	1.6
128.10674	1.7
129.06981	2.0
131.08609	2.7
133.10130	2.3
140.10696	1.8
143.08463	1.5
145.10181	1.6
147.11694	1.6
147.34473	1.3
149.13272	2.3
155.10727	2.5
157.10098	2.4
166.94753	1.5
173.11781	9.3
175.11174	1.6
179.54428	1.5
189.11226	2.1
195.13745	2.0
195.63089	1.3
202.45451	1.3
277.21677	2.5
285.18518	3.5
295.22815	1.8
312.23199	3.5
330.24252	24.8
331.24738	2.8
343.35956	1.4
348.21317	1.9
348.25323	29.2
348.28937	2.2
349.19824	8.0
349.23865	1.3
349.25269	1.3
354.83292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
56.05034	1.0
58.06599	36.3
60.76384	0.5
65.03931	1.2
67.05502	4.7
68.05028	0.6
69.07056	1.4
69.08464	0.5
69.39026	2.8
70.06584	1.9
71.07388	0.7
72.08153	3.4
74.06075	1.2
77.13188	0.5
79.05500	3.5
81.07053	5.2
82.06584	1.9
83.08612	1.3
84.08138	2.6
84.61237	0.5
91.05477	78.0
92.05809	1.7
93.07059	1.7
95.07323	0.6
95.08612	1.4
95.09177	0.6
96.70900	0.5
97.10175	0.8
98.23350	0.7
99.08086	0.9
105.07027	7.8
107.04959	0.7
107.08611	0.6
108.08105	1.2
110.09675	6.7
111.08103	0.5
115.05424	0.8
117.07009	24.6
118.07381	0.9
119.08575	1.5
121.06496	1.6
125.09691	0.6
128.06287	0.5
129.06995	9.2
130.07343	0.7
131.08551	4.7
140.83032	0.5
141.06937	0.7
143.08545	9.9
157.10080	2.1
171.11644	0.9
185.13261	7.2
203.14297	1.1
215.31808	0.5
285.22089	2.7
330.27890	64.8
331.28250	6.2
348.28943	100.0
349.29306	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	348.2894
Annotation	Anandamide
Peak:m/z	Relative Intensity
51.68504	1.4
56.05031	1.6
58.06595	4.6
63.55783	1.4
67.05500	2.3
69.20046	1.4
69.72703	6.2
70.06588	3.9
72.08157	2.1
78.25354	1.3
79.05463	1.9
80.94827	1.5
81.07075	2.8
84.08137	5.9
91.04967	2.4
91.05486	26.9
92.07742	1.5
93.07046	2.6
95.08599	1.9
96.08145	2.9
97.06544	2.4
104.99212	1.6
105.07042	2.4
107.08579	1.4
108.08133	2.5
110.09660	3.6
117.07013	4.0
131.08591	2.8
136.06197	3.2
143.08507	2.2
185.95586	1.3
229.15862	1.3
312.26859	13.7
319.59964	1.4
330.27908	52.1
331.28372	5.0
339.37424	1.6
348.28964	100.0
349.29208	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	348.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68504	1.4
56.05031	1.6
58.06595	4.6
63.55783	1.4
67.05500	2.3
69.20046	1.4
69.72703	6.2
70.06588	3.9
72.08157	2.1
78.25354	1.3
79.05463	1.9
80.94827	1.5
81.07075	2.8
84.08137	5.9
91.04967	2.4
91.05486	26.9
92.07742	1.5
93.07046	2.6
95.08599	1.9
96.08145	2.9
97.06544	2.4
104.99212	1.6
105.07042	2.4
107.08579	1.4
108.08133	2.5
110.09660	3.6
117.07013	4.0
131.08591	2.8
136.06197	3.2
143.08507	2.2
185.95586	1.3
229.15862	1.3
312.26859	13.7
319.59964	1.4
330.27908	52.1
331.28372	5.0
339.37424	1.6
348.28964	100.0
349.29208	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	348.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.1
57.07076	4.5
58.06599	3.9
65.03943	2.0
67.05502	3.7
69.07069	29.9
69.07423	2.3
71.08669	1.2
72.04513	13.7
79.05492	3.6
81.07070	7.9
83.08624	15.4
91.05482	100.0
93.07045	4.2
95.04974	1.3
95.08601	7.0
97.10186	15.4
100.60627	1.1
101.79523	1.2
105.07031	27.4
107.08598	3.4
109.06533	3.4
109.10180	3.9
111.11710	8.3
112.44709	1.1
115.05465	1.4
117.07016	25.3
118.29705	1.4
119.08577	11.8
121.10156	3.7
123.08074	10.4
123.11688	1.8
125.13278	3.6
125.25335	1.2
129.07018	2.0
131.07564	2.3
131.08566	43.1
132.08891	1.6
133.10146	5.0
135.08041	1.5
135.11690	1.8
143.08539	2.1
145.10117	9.0
147.11655	1.9
157.10091	1.9
159.11716	2.3
161.13177	1.5
179.14299	8.5
181.10054	1.6
187.14833	3.8
213.54639	1.4
215.14449	1.3
233.15387	4.4
285.25809	2.1
302.28430	26.6
303.28943	2.9
320.29187	2.1
330.23962	2.5
330.27902	37.0
331.28302	3.3
348.25293	2.1
348.29089	6.0
349.27701	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.29
Annotation	Anandamide
Peak:m/z	Relative Intensity
55.05523	0.6
56.05048	0.5
57.03449	0.4
57.05821	0.4
57.40860	0.2
58.06621	0.3
65.89243	0.2
67.05510	2.1
69.07076	0.4
69.27932	1.3
70.06609	1.7
72.08161	100.0
73.08472	1.5
79.05495	1.5
80.94864	0.3
81.07059	1.9
81.12863	0.2
84.08154	0.8
86.09727	0.3
91.05492	1.9
93.07078	1.5
95.05012	0.3
95.08624	1.2
96.08157	0.6
97.06545	0.5
98.22592	0.4
105.07047	0.6
107.08614	0.8
109.06496	0.4
109.08881	0.2
109.10146	0.4
110.09682	0.3
119.08582	0.5
121.10172	0.5
122.09736	0.2
124.11215	1.7
131.08611	0.4
133.10110	0.2
136.06204	0.5
149.13258	0.3
151.07570	0.9
161.13309	0.3
161.63582	0.2
198.12810	0.8
210.42981	0.2
246.13034	0.2
275.19980	0.3
330.27924	2.0
348.28989	36.9
349.29346	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	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30626	1.7
54.59956	1.7
59.93127	2.0
69.21344	15.4
70.06596	100.0
71.06957	2.4
72.08157	38.2
76.76464	1.7
82.09132	1.7
82.83347	2.0
84.08158	3.6
86.09735	2.2
97.07654	19.5
98.06080	13.9
107.08668	1.8
112.08733	45.1
114.10299	81.3
116.98612	1.8
122.09686	6.2
140.08212	3.2
140.75761	1.9
144.10124	2.4
146.06010	5.3
149.10744	10.9
150.09158	17.5
157.06529	2.5
159.09219	3.0
167.11824	4.5
175.08644	2.2
181.10292	2.1
188.07051	7.3
192.11395	4.4
205.09659	3.2
209.13988	98.8
210.14165	2.9
271.14365	3.3
289.15164	2.0
331.17618	36.9
331.23087	2.4
332.17950	2.9
349.09131	5.5
349.18744	26.0
349.24091	10.5
350.18805	3.0
350.25266	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.05508	1.1
57.03429	1.3
57.07083	0.6
58.06587	1.2
62.02290	0.6
67.05522	3.1
69.03424	0.6
69.07074	1.6
72.07875	0.4
72.08163	4.8
73.08497	0.7
79.05491	5.4
81.03400	0.7
81.07053	8.9
91.05476	3.0
93.07054	2.9
95.04984	0.6
95.08631	3.5
97.06530	1.2
105.07040	2.3
107.08591	1.6
109.06514	4.0
109.10149	1.2
110.19059	0.5
113.38153	0.7
117.07026	0.9
119.08582	2.5
121.10141	1.0
123.08044	0.7
131.08560	1.5
133.10117	0.6
145.10146	1.5
149.13254	0.8
163.11172	0.7
171.11833	0.8
177.12624	0.6
179.14278	1.0
188.06540	0.6
219.17453	0.8
236.40137	0.6
257.18951	0.7
266.65280	0.6
275.20087	1.8
286.30270	0.7
305.24484	1.0
334.04352	0.7
349.19849	100.0
349.28891	2.6
349.33408	2.2
350.20267	6.8
350.30292	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	349.2012
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
53.03942	1.5
55.01847	1.1
55.05501	3.4
55.09069	0.7
56.05029	0.7
57.03434	1.4
57.07072	1.1
58.06588	1.3
67.05508	7.2
69.07065	3.2
70.06606	3.8
70.94153	0.8
71.04958	0.9
72.08155	6.3
73.08498	1.4
78.77923	0.7
79.05507	5.0
81.03418	1.1
81.07063	12.9
83.04989	1.7
84.04489	0.9
84.08143	2.1
85.06555	1.1
91.05486	4.7
93.07040	8.5
95.04967	2.6
95.08606	12.6
96.08958	2.1
97.06531	2.9
97.08960	0.7
98.23389	1.4
105.03392	6.0
105.07026	7.9
106.03725	3.1
107.04950	1.8
107.08607	6.6
109.06524	3.1
109.10162	4.0
110.09676	1.8
111.04442	1.2
111.08131	0.9
117.07004	2.3
119.04974	1.3
119.08602	5.9
121.06507	1.9
121.10127	4.0
123.08028	2.1
128.10713	4.3
129.07013	1.7
131.08568	2.5
133.06519	0.8
133.10136	4.0
135.08063	3.4
135.11716	2.3
137.09605	1.2
139.07553	0.8
141.06985	1.1
143.08525	3.9
144.08881	2.0
145.06450	0.9
145.10095	5.3
147.08037	2.0
147.11685	2.8
149.09607	2.6
149.13300	1.3
155.08559	1.5
157.10115	2.7
159.08095	1.1
159.11714	3.4
161.05998	0.9
161.09633	2.2
161.13318	1.4
163.11145	1.1
165.12741	0.9
169.10129	2.3
171.08250	0.8
171.11703	2.2
173.09619	2.0
173.13263	1.3
175.11115	1.7
183.11702	2.6
187.11203	3.4
191.10667	1.1
197.09607	1.1
197.13210	1.7
199.11137	1.3
201.12772	1.1
207.11659	1.2
211.11142	1.0
211.14874	2.7
215.14388	0.9
225.12721	1.7
227.14391	1.7
229.12172	1.5
229.15912	1.1
229.19572	1.4
239.14290	2.8
239.17924	5.5
240.18372	1.1
243.17516	1.7
249.16405	1.6
257.19009	9.0
267.17401	10.6
268.17645	1.5
275.20020	4.1
276.61362	1.0
285.15607	1.5
285.18506	14.1
286.18848	1.5
303.19531	100.0
304.19891	7.0
331.18918	2.1
331.24576	10.0
332.25711	1.6
349.16220	1.7
349.19974	7.4
349.25534	17.3
350.26941	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	349.201
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
55.05494	1.0
57.02731	0.5
67.05521	3.2
69.07062	1.2
69.40642	3.2
79.05489	3.5
81.07050	5.0
83.08616	1.0
91.05488	2.8
93.07059	7.3
95.08607	6.2
97.06538	1.7
98.98461	2.4
105.07004	3.9
107.08565	3.8
109.06519	1.5
109.10168	1.6
117.06982	0.8
119.04957	1.5
119.08578	3.8
121.06523	0.8
121.10146	2.4
123.08091	0.8
126.89476	0.5
129.06995	0.7
131.08549	2.3
133.10114	1.8
135.08078	2.2
135.11673	1.4
137.05853	0.6
137.09576	1.2
142.07872	0.7
143.08563	1.4
145.06490	0.8
145.10136	2.2
147.08055	1.3
147.11681	1.4
149.09619	1.4
149.13297	0.7
155.01036	1.9
155.08582	1.3
157.10124	2.3
159.08110	0.7
159.11700	2.5
161.09639	2.1
163.07512	0.7
163.11224	0.8
169.10107	2.1
171.07976	0.7
171.11729	1.4
173.09659	1.9
173.13281	1.0
175.11217	2.2
177.09142	0.7
181.10019	0.7
183.11716	2.9
185.09625	1.4
185.13240	0.9
187.11218	2.3
189.12764	0.8
195.11781	0.7
197.09659	0.6
197.13284	2.3
199.11104	0.8
201.12720	1.1
203.10602	1.0
205.12189	0.6
207.11719	0.8
211.11182	1.8
211.14819	1.9
225.12741	2.0
227.14316	1.6
229.12187	1.0
229.19539	1.2
239.14270	2.1
239.17952	4.1
241.15811	0.6
243.17435	1.3
245.15442	0.7
249.16319	1.6
257.15366	0.8
257.16278	1.0
257.18982	8.4
258.19659	0.7
267.17395	8.7
268.17886	0.7
275.20093	3.4
285.18488	13.8
286.18857	1.1
303.19531	100.0
304.19879	6.9
331.18991	1.8
349.20181	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	349.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05661	3.0
67.11532	1.6
70.06586	7.3
70.36758	4.5
72.05997	1.6
94.93009	13.1
96.92832	14.0
113.00894	2.5
116.05619	3.1
116.07130	2.9
119.01994	2.1
124.02460	4.7
131.01930	5.2
141.05150	3.2
142.03497	25.5
143.06680	2.5
144.05032	3.3
159.06221	4.9
160.04552	18.6
161.07770	2.2
165.96794	1.7
166.03517	19.6
174.89606	14.6
175.11899	15.1
178.03514	7.3
184.04558	52.8
184.06090	3.1
187.05646	16.4
188.04108	5.5
188.05858	2.1
196.04558	28.2
202.05655	7.9
204.88860	10.5
205.06699	12.9
206.05081	10.4
206.06816	2.1
206.88699	9.2
208.88336	2.8
212.04054	12.9
212.85303	2.1
213.07599	5.4
214.05647	7.0
224.04001	2.7
229.06711	26.8
229.10231	2.3
230.05089	100.0
241.06772	13.4
242.05084	49.7
242.07365	2.7
248.06155	36.2
248.89680	7.0
250.80714	5.8
250.89465	26.2
251.03059	20.9
260.06125	11.2
262.85303	3.6
268.81879	2.0
278.07211	2.0
288.83374	15.0
290.07205	4.3
349.03769	1.8
350.09302	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
54.47077	1.6
55.01862	1.6
55.05504	13.2
57.03438	34.7
59.05004	1.5
65.03923	2.2
67.05504	35.8
69.03416	6.4
69.07061	11.2
69.99272	6.5
70.06595	3.8
71.04992	3.4
72.07758	1.9
72.08155	36.8
73.08485	5.4
73.42188	1.4
79.05494	34.5
80.43723	1.7
81.03426	2.1
81.07060	35.6
83.04961	4.7
83.08614	6.9
85.06548	12.0
85.08434	1.5
87.72634	1.7
91.04896	2.4
91.05476	46.0
93.07042	41.1
95.04966	6.0
95.08605	27.9
97.06516	5.3
97.10202	2.0
98.22581	2.1
99.04446	6.3
103.42383	1.8
105.07018	32.8
106.07342	1.7
107.04964	3.8
107.08590	16.0
109.06512	14.8
109.10172	8.5
111.08089	5.7
117.07024	18.3
119.08575	27.4
121.06459	3.1
121.10133	14.7
123.08073	7.9
123.11667	2.8
126.80149	1.9
129.07011	5.1
131.08569	25.1
133.10107	17.2
135.08051	7.3
135.11671	10.6
137.09624	4.3
142.07851	1.9
143.08585	6.7
145.10124	15.9
147.08018	2.1
147.11664	10.1
149.09572	5.7
149.13246	2.0
153.12718	3.9
155.08517	2.7
157.10089	5.0
159.11702	9.9
161.13251	4.0
163.11125	3.5
171.11908	4.0
173.13252	5.6
175.14830	3.0
183.11719	2.5
185.13258	5.6
201.16396	7.8
203.14374	4.0
209.15352	2.6
219.17447	100.0
220.17780	7.5
221.13260	2.1
229.19731	1.7
235.14917	2.0
275.20132	17.2
276.20432	2.0
305.24353	3.8
313.11520	2.2
331.31693	2.6
332.29547	4.3
349.24036	17.4
349.29019	10.1
349.33206	10.6
350.30359	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01865	3.8
55.05507	12.7
57.03442	17.7
58.06596	13.1
59.05011	1.6
62.48658	1.8
67.05499	22.2
69.04705	6.6
69.05133	9.2
69.07076	9.4
70.06596	4.3
71.04994	3.4
72.08156	51.7
72.08540	3.1
73.08494	9.1
79.05494	30.7
80.05859	2.2
81.03426	4.9
81.07056	35.3
82.07390	3.5
83.05000	3.2
83.08607	5.5
84.08154	6.3
85.06543	3.0
85.08931	2.1
85.59982	1.9
86.09701	2.9
91.05483	53.4
92.05822	11.2
93.07047	27.5
94.07368	2.6
95.04967	6.3
95.08601	22.4
95.09167	2.3
96.08144	2.7
96.08919	1.9
97.06547	5.8
97.10172	5.0
98.09704	2.0
105.03394	6.1
105.07029	35.8
105.07670	3.2
106.07410	3.4
107.04958	4.4
107.08592	17.7
109.06536	5.8
109.10172	5.4
111.08097	3.0
117.07023	15.2
118.07368	2.2
119.08576	22.3
120.08909	1.8
121.06535	3.1
121.10111	8.0
123.08035	4.1
124.11325	1.8
125.09608	4.3
128.06215	3.1
129.07025	11.8
130.07416	1.8
131.08575	18.5
133.10129	14.9
135.08087	4.0
135.11693	4.9
137.09637	3.6
143.08534	8.8
145.10112	23.3
146.10500	2.7
147.11699	13.9
149.09636	7.1
157.10167	7.3
159.11728	16.4
161.09567	2.3
161.13220	4.3
163.11183	3.7
163.35052	1.6
169.10104	3.3
171.11716	5.9
172.11990	4.1
173.13281	6.3
175.11237	2.7
175.14824	2.5
183.11774	3.5
185.13297	6.8
189.11224	2.8
189.12799	2.5
190.13007	1.9
197.13329	3.3
201.16592	2.2
203.14278	2.8
215.17970	2.0
219.17500	7.4
229.19423	2.2
239.17957	6.5
252.47400	1.6
257.18997	19.3
275.20029	21.7
276.20557	2.7
277.18140	2.1
286.22516	4.3
331.28259	41.3
332.25659	2.6
332.29248	3.0
349.19867	9.3
349.23859	25.7
349.29288	100.0
350.23755	3.7
350.30508	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	349.2373
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
53.03939	5.2
55.01875	9.0
55.05272	2.0
55.05514	24.2
57.03439	11.5
57.07067	2.9
58.06588	2.2
59.05012	1.4
65.03931	1.9
67.05125	1.7
67.05501	35.4
67.91255	1.4
69.03429	2.1
69.07074	15.4
69.58056	2.9
69.58468	5.8
70.06587	1.4
71.04978	2.6
72.08153	15.0
73.08500	2.2
79.05490	50.4
81.03414	6.4
81.07056	34.4
83.04984	14.1
83.08594	6.4
84.08144	1.5
85.06537	3.5
91.05476	32.0
91.06012	2.4
92.05843	2.1
93.07044	31.7
95.01332	3.5
95.04973	9.8
95.08606	20.3
97.06527	7.8
97.10178	4.6
103.05429	1.6
105.07012	29.3
106.07404	1.5
107.04955	15.0
107.08595	31.1
109.06516	5.3
109.10142	10.8
111.08074	2.7
117.07011	10.6
119.08582	19.3
121.06496	2.3
121.10133	13.0
123.08069	4.5
123.11680	2.9
125.09637	6.3
129.07060	1.9
131.08560	12.5
133.10124	18.0
135.08049	5.1
135.11691	5.5
137.09627	2.5
143.08604	1.7
145.10130	9.4
147.08058	1.6
147.11667	8.9
149.09605	18.9
149.13269	4.0
155.08604	1.6
157.10240	2.7
159.11649	6.4
161.13257	2.5
163.11206	2.2
163.14822	1.7
169.10175	1.9
171.11795	2.1
173.11774	3.0
173.13177	2.9
177.12784	1.8
179.14323	6.0
185.13232	1.6
187.11279	2.4
189.11273	2.0
205.12219	2.4
209.15356	1.5
229.19543	2.0
233.15344	1.6
239.18039	2.3
247.20679	1.5
252.93312	1.5
257.19000	5.6
275.20016	21.9
276.20407	1.7
305.24423	5.0
332.29507	2.1
349.19885	100.0
349.23834	15.0
349.29004	6.8
349.33557	5.2
350.20364	8.3
350.23898	2.4
350.30310	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48014	2.4
53.03958	13.4
55.01876	17.3
55.05508	23.2
57.03439	23.8
58.06592	3.3
58.56003	2.8
65.03931	4.5
66.41450	2.7
67.05505	88.9
69.03429	6.2
69.07070	47.8
69.67546	13.2
70.06593	5.0
71.04993	7.0
72.08158	52.8
73.07861	3.0
73.08483	6.8
79.05492	72.4
80.27094	2.5
81.03429	19.9
81.07059	100.0
82.07380	3.1
83.04987	10.5
83.08627	12.1
83.23883	2.8
84.08157	4.1
85.06561	3.4
91.05481	66.2
93.07045	66.8
95.01332	15.3
95.04962	20.8
95.08607	68.6
96.08907	3.3
97.06538	21.6
97.10184	4.8
99.04458	3.8
99.08079	4.4
103.05495	3.3
105.04517	3.6
105.07019	72.3
106.07356	3.4
107.04948	25.6
107.08611	27.8
109.06533	19.5
109.10162	21.2
111.04454	2.9
117.06998	21.1
119.08587	55.3
120.08951	2.9
121.06559	6.0
121.10159	16.0
123.04446	4.6
123.08064	17.8
129.07079	4.2
131.08598	29.4
133.10124	44.1
135.08057	8.0
135.11679	11.8
137.09613	15.0
143.08621	3.0
145.06496	6.7
145.10115	31.3
147.11707	22.0
149.09633	11.0
149.13249	10.2
151.11192	4.9
157.10075	6.4
159.11714	17.4
161.13316	5.1
163.11227	4.6
165.09053	4.1
165.12764	3.0
169.10104	5.9
171.11931	7.0
173.13289	8.4
177.12749	6.4
179.14310	26.1
182.82181	2.9
183.11670	7.4
185.13286	3.8
187.11243	5.2
187.14711	3.1
191.41129	2.7
229.19333	4.3
241.14554	2.6
247.20612	5.1
257.19025	6.2
275.20062	44.2
305.24448	9.0
331.22855	4.0
332.29517	9.3
349.23798	34.9
349.28967	15.9
349.33459	12.2
350.23959	3.9
350.30350	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05508	3.7
57.07077	5.5
60.82362	0.7
67.05505	5.7
69.07065	5.1
69.07879	5.4
71.04982	0.7
71.08626	2.7
79.05494	3.8
81.07054	9.1
83.04970	0.9
83.08609	1.8
85.06535	2.4
89.06017	0.8
91.05491	2.9
93.07044	4.8
95.08601	7.7
97.06512	1.0
97.10122	0.8
98.23451	0.5
99.08086	1.6
102.55357	0.5
105.07031	3.7
107.08604	4.1
109.05775	1.1
109.06516	20.5
109.10165	3.0
110.06801	0.5
111.08060	1.2
119.08608	3.3
120.58117	0.5
121.10151	3.3
122.07265	1.6
123.08068	37.0
123.11691	1.4
124.08408	1.2
125.09646	0.7
131.08537	1.8
133.10153	2.9
135.08064	4.2
135.11694	1.3
137.09607	1.6
137.13275	0.8
145.10136	1.4
147.11693	1.1
149.09573	0.8
149.13278	0.9
159.11726	0.9
161.13228	1.0
165.12756	1.0
167.14349	0.9
171.11682	0.6
179.14305	100.0
180.14658	4.7
181.36624	0.6
183.11728	0.7
187.14786	0.8
193.15894	2.6
233.18958	0.8
275.20093	0.7
293.21127	4.6
303.26785	0.7
331.26389	4.4
349.27365	92.5
350.27686	7.7
353.53543	0.6
357.00726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	5.6
56.69000	1.4
61.86041	1.4
65.94203	1.5
67.05498	7.0
69.07077	9.9
73.19730	1.5
73.62213	1.4
79.05496	4.1
81.07063	10.0
83.08617	5.2
91.05479	1.8
93.07042	6.8
95.08610	7.0
97.06577	2.5
97.10171	1.6
105.07017	3.0
107.08633	8.2
109.06519	11.8
109.10160	5.8
119.08582	3.9
121.10153	5.5
123.08078	64.4
133.10150	3.4
135.08092	5.3
135.11676	1.5
137.09639	3.8
147.11731	2.8
149.13297	4.1
161.13249	1.7
179.14297	10.7
275.19983	1.6
293.21106	17.1
331.25882	2.5
349.27383	100.0
350.27747	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.99730	0.4
55.01853	1.0
55.05269	0.5
55.05512	5.3
57.07079	2.2
59.10818	0.4
62.10929	0.4
65.03942	0.5
67.05504	5.4
67.87984	0.4
69.07066	8.1
69.19033	3.2
71.04987	1.2
71.08629	0.9
79.05494	3.9
81.07056	7.8
83.04953	1.1
83.08609	3.0
85.06514	1.1
91.05463	1.9
92.21680	0.4
93.07053	4.3
95.08604	6.7
97.06525	1.0
97.10149	0.7
98.23331	0.9
99.08052	0.9
100.58702	0.3
105.07017	2.8
107.08605	4.4
109.06509	12.7
109.10152	2.7
110.07114	0.3
111.08089	1.4
119.08572	3.8
121.06538	0.5
121.10168	2.7
122.07288	1.0
123.08065	57.6
123.11691	1.3
124.08392	1.6
125.09602	0.5
131.08578	0.5
133.10149	2.4
135.08047	4.7
135.11702	1.6
137.09630	3.2
137.13246	0.7
142.66887	0.4
145.10138	1.0
146.11012	0.5
147.11646	1.7
149.09596	1.1
149.13251	1.2
151.11157	0.4
159.11742	1.1
161.13242	0.8
163.14812	0.5
164.07558	0.4
165.12767	1.3
173.13213	0.6
175.14806	0.5
179.14299	34.5
180.14642	1.4
193.15828	1.0
231.88327	0.4
233.18927	0.6
275.20081	1.5
289.25122	0.8
293.21097	14.6
294.21332	0.9
303.26935	0.7
307.22571	0.8
331.26312	3.9
349.27344	100.0
350.27658	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03937	1.0
53.44487	0.9
55.05513	5.4
57.07067	2.0
61.40514	0.9
67.05511	6.3
69.07069	9.6
70.45258	1.8
70.45592	1.6
71.04974	0.9
71.08632	1.7
76.30058	0.9
78.02776	1.0
79.05486	3.9
81.06647	1.1
81.07065	10.2
83.04990	1.0
83.08624	4.5
91.05471	2.0
93.07031	4.0
95.08607	7.5
97.06524	2.0
97.10172	1.2
105.07037	3.0
107.08594	6.2
109.06512	12.4
109.10161	4.2
111.08076	2.0
119.08566	3.6
120.08799	0.9
121.06496	1.3
121.10178	4.6
123.08067	74.2
123.11705	1.5
124.08391	2.3
131.08568	1.0
133.10144	3.8
135.07997	5.4
135.11679	2.6
137.09608	3.4
137.13234	1.0
145.10101	1.4
147.11655	2.6
149.09593	1.4
149.13249	2.7
172.58694	1.0
177.12715	1.3
178.87347	0.9
179.14308	12.9
187.19789	1.0
233.18939	1.0
256.44891	1.0
275.20062	2.3
283.03140	1.3
293.21054	15.9
294.21390	1.2
331.26300	3.2
339.67169	0.9
349.27362	100.0
350.27487	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	349.2743
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
57.07082	6.7
67.05512	6.3
69.07072	8.0
69.12844	11.8
69.13274	9.1
70.52071	2.4
71.08633	5.4
79.05491	4.3
81.07075	6.5
83.08625	2.8
87.95819	2.6
88.11285	3.1
91.05466	2.7
93.07076	7.5
95.08613	8.2
107.08617	3.4
109.06536	18.1
119.08589	4.9
121.10152	3.1
123.08081	46.5
135.08104	5.3
179.14330	82.8
215.66615	2.6
242.59720	2.5
273.25021	2.9
293.21194	7.1
330.56918	3.0
349.23169	5.4
349.27402	100.0
350.27835	7.3
350.33942	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	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05511	2.6
57.07074	5.4
59.67802	0.7
67.05521	3.8
69.07076	1.8
70.49527	1.0
70.49856	1.9
71.04998	0.8
71.08643	3.2
74.66874	0.8
79.05505	1.8
81.07069	5.9
85.06549	3.4
91.05477	1.2
93.07044	2.8
95.08633	6.2
98.27147	0.8
99.08120	2.1
105.07063	1.2
107.08604	2.4
109.06538	18.2
109.10126	1.5
111.08102	0.9
119.08585	1.5
121.10159	1.9
122.07292	1.9
123.08089	26.9
124.08477	1.0
133.10155	1.4
135.08080	3.6
163.84308	0.7
165.12848	1.0
179.14333	100.0
180.14648	4.7
187.48747	0.8
193.15881	2.9
194.09131	0.7
212.59932	0.9
245.27524	0.8
289.68973	0.9
331.26392	2.6
349.27417	66.5
350.27689	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	349.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18561	0.3
53.03939	0.4
55.01874	0.5
55.05508	2.5
56.05034	0.6
56.05846	0.5
57.03438	0.6
57.07064	0.5
58.06600	39.5
59.06311	0.7
59.06933	5.2
64.91394	0.3
65.03934	1.2
66.04255	0.4
67.05505	7.5
68.05025	0.8
68.05832	1.6
69.03426	0.6
69.07069	1.9
69.40435	1.2
70.06583	2.1
70.07402	0.3
71.07365	0.7
72.07758	0.6
72.08154	5.8
73.08503	0.8
74.06086	1.6
79.05486	4.6
80.05830	1.2
81.07052	8.9
82.06584	1.1
82.07377	1.8
83.04996	0.4
83.06933	0.4
83.08615	0.8
84.08150	3.4
84.08956	0.5
85.02547	0.3
85.08474	0.8
85.08894	0.6
91.05479	67.1
92.05808	25.4
93.06137	0.4
93.07037	3.2
94.06574	0.6
94.07381	0.7
95.04962	0.6
95.07340	0.8
95.08608	3.2
96.07600	0.3
96.08178	0.3
96.08950	0.6
97.06542	0.6
97.10157	0.4
98.09688	1.1
99.08082	0.5
105.07029	7.9
106.07363	3.5
107.04963	1.0
107.08599	1.7
108.05314	0.4
108.08117	0.7
108.08933	0.4
109.06550	0.3
109.10159	1.0
110.09684	5.3
110.10402	0.6
111.08086	0.5
111.09996	2.3
112.11306	0.4
115.05470	0.6
116.05770	0.4
117.07014	16.4
118.07352	10.4
119.08577	1.5
120.08907	0.8
121.06526	1.1
121.10155	0.8
122.06816	0.6
122.10497	0.3
124.11240	0.5
128.06200	0.6
128.10748	0.3
129.07022	5.4
130.07329	5.1
131.08568	3.7
132.08858	2.0
133.10123	0.5
135.93051	0.3
143.08560	6.0
144.08893	5.6
145.10168	0.7
146.10495	0.4
147.11707	0.7
150.32990	0.3
157.10162	0.8
158.10437	1.3
159.11731	0.3
164.69566	0.3
171.11740	0.5
172.12082	0.5
184.11949	0.3
185.13261	2.4
186.13602	3.6
203.14323	0.5
204.14661	0.9
268.21381	0.8
286.22418	2.9
313.27203	0.4
331.28229	68.6
332.29114	6.5
349.29297	100.0
350.30225	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	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14476	0.6
55.05518	4.6
57.03453	0.7
57.07079	43.2
58.07430	1.2
61.29030	0.6
63.58947	0.6
67.05513	4.6
69.07068	6.3
69.46106	2.9
69.46513	1.0
71.05004	0.9
71.08636	29.9
72.04506	0.9
72.09000	0.9
73.06569	3.4
79.05499	2.3
81.07059	6.6
82.16068	0.6
83.08617	2.9
85.06548	0.8
85.10188	20.3
87.04479	1.3
89.06034	100.0
90.06381	0.9
91.05494	2.1
91.07574	0.7
93.07057	3.8
95.04964	0.8
95.08607	6.4
97.06531	1.4
97.10173	3.3
98.23328	1.0
99.11729	3.3
105.07055	2.8
107.07078	6.0
107.08593	3.5
109.06528	10.0
109.10169	3.1
111.08075	0.6
113.13306	1.4
117.07023	0.6
119.08582	2.6
121.10143	4.0
122.07269	0.6
123.08077	28.9
123.11722	1.1
130.08679	1.1
131.08611	1.0
133.08611	29.2
133.10190	2.7
134.08994	1.4
135.08078	2.7
135.11676	1.3
137.09618	1.6
145.10109	1.6
147.11737	0.9
149.13271	0.7
151.09671	3.7
151.18854	0.6
153.91318	0.6
155.17915	1.0
157.10146	0.6
159.11723	1.0
159.20807	0.6
165.12730	0.8
167.14403	0.6
175.14902	0.6
177.11218	4.1
179.14311	32.4
180.14665	1.5
185.13361	0.6
193.15921	0.9
195.12289	14.9
196.12573	0.6
198.14905	0.8
202.04590	0.6
293.21140	5.4
331.26239	1.9
349.27307	46.1
350.27368	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	350.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56761	0.6
59.85423	0.6
69.33088	0.7
69.75526	0.7
70.06593	2.6
70.21770	1.5
70.22100	1.0
71.80253	0.7
72.08170	0.8
82.99826	0.8
84.08149	0.9
94.52165	0.6
94.99842	0.8
98.22623	0.9
98.97620	0.7
101.00881	9.7
109.05173	1.0
110.07162	0.8
113.00883	7.3
119.01923	25.9
120.02031	1.7
131.01917	19.7
132.02002	1.6
133.03413	1.1
136.06189	46.2
137.02934	7.5
137.06560	1.5
139.02431	1.5
143.01921	2.1
147.01401	0.9
149.02931	0.9
149.39516	0.7
155.01895	1.9
157.03481	15.2
158.03552	0.8
160.94653	0.6
161.02934	5.8
163.90462	0.6
167.01894	3.6
173.02971	3.7
175.04549	6.1
176.04196	23.8
177.04256	1.1
185.02965	16.7
186.03098	1.4
191.04152	1.2
194.05251	60.8
195.05367	4.1
203.04080	1.9
204.03786	1.5
209.05199	2.1
212.06290	8.3
213.06351	0.8
215.04010	0.7
217.04498	2.4
217.06601	1.0
218.05244	46.1
219.05515	3.4
221.05191	1.5
222.04738	2.2
230.05238	37.3
231.05414	2.4
232.06805	1.9
233.05104	3.2
236.06299	22.5
237.06641	1.1
244.06773	2.0
246.04745	2.4
248.06305	14.3
249.06633	0.7
250.07881	0.9
254.07329	5.9
260.06299	1.2
308.08429	8.5
309.08676	1.1
326.09421	9.9
350.09467	100.0
351.09671	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	350.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46109	1.0
53.03935	3.1
55.01867	2.9
55.05507	2.5
56.05045	5.9
56.88720	0.9
58.06597	1.6
58.75256	0.9
60.04515	6.8
60.04777	0.8
61.01164	1.9
65.03938	1.6
67.05508	2.1
69.03439	1.3
69.07073	5.7
70.06597	100.0
71.06935	2.0
72.08163	17.4
74.02456	1.1
74.06078	2.3
79.05495	2.6
81.03426	11.4
83.06091	1.3
84.04523	4.1
84.08154	16.5
85.02923	3.5
86.09711	50.8
87.05600	1.8
87.10017	1.2
88.04001	4.5
91.05485	5.7
93.03425	2.2
93.07037	1.4
95.04984	3.6
95.08573	1.1
97.02909	1.2
97.06527	1.3
98.06063	1.7
99.04464	2.0
102.05563	1.5
103.05489	2.4
104.05306	3.8
107.04955	2.9
109.02896	6.0
109.06519	0.9
110.07185	7.5
110.42033	0.9
111.00827	6.6
111.04454	2.3
112.07623	1.1
112.08730	2.8
115.03953	1.1
115.08715	1.6
116.07098	4.1
119.04916	4.7
120.08109	28.3
120.08922	1.9
121.02879	6.2
123.04436	2.8
125.02377	8.1
126.05527	1.1
127.03935	2.3
129.10248	9.0
130.06583	1.2
130.08656	2.4
132.08134	1.5
133.03139	3.0
133.14110	1.0
135.04419	3.6
136.07611	3.0
138.05293	9.1
139.03905	2.2
140.07011	1.0
143.08141	2.2
143.11809	1.3
145.02824	2.2
146.06143	1.2
147.04424	13.6
149.02344	4.1
150.05841	7.0
151.03918	1.2
157.09689	2.4
163.03926	5.1
165.05511	2.5
167.03444	3.0
171.03023	1.1
173.02330	4.9
173.12868	5.9
175.03885	5.6
177.01872	2.7
177.05493	2.0
177.10300	1.8
179.03362	1.2
180.06943	3.0
181.05000	2.1
185.04366	2.5
185.09204	2.9
186.04591	1.4
189.01947	1.5
191.03374	11.1
192.03564	1.0
193.01465	1.4
193.05045	2.4
195.02937	2.9
201.12326	6.8
203.10268	20.5
205.04955	1.2
207.06549	6.0
207.11234	1.2
209.04445	8.3
217.13388	4.7
219.02890	16.8
221.04550	2.4
223.06084	2.3
223.15681	1.0
233.04411	6.1
237.03943	5.7
237.09035	10.9
241.07098	1.7
245.12909	3.8
251.05476	3.2
253.07155	1.2
253.15283	11.3
255.05003	3.9
265.03488	3.3
269.06564	15.6
279.05081	1.9
287.07736	2.0
297.06119	3.6
315.07083	5.3
332.16541	1.0
332.20786	2.6
333.08228	1.2
350.09421	7.8
350.13419	1.3
350.20660	27.8
350.25198	1.9
351.16403	1.5
351.20193	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	350.1346
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03933	0.7
55.01873	1.0
55.05488	0.3
57.03434	2.4
59.05000	0.3
59.71794	0.2
60.04513	0.3
61.02924	2.2
69.03426	8.3
70.06574	0.4
70.56316	0.3
71.01366	1.0
71.04646	0.2
71.04994	2.3
72.08160	2.0
73.02914	1.1
75.04466	0.2
79.05476	0.2
81.03412	1.7
81.07065	0.3
84.08129	0.3
84.89105	0.2
86.08215	0.1
86.09675	0.2
91.04978	0.2
91.05463	1.2
97.02875	0.6
99.04449	2.2
105.07013	0.3
116.04971	0.6
117.05531	0.8
118.06537	4.1
120.08094	4.0
123.04392	0.2
128.04961	0.2
131.06049	0.4
132.06865	0.4
132.08064	1.2
136.16545	0.2
143.11803	1.3
144.06813	0.2
145.07599	16.6
146.08386	0.8
147.09161	21.2
148.09488	0.6
155.81944	0.1
157.07658	1.0
159.09164	9.0
160.09950	1.7
161.10760	1.0
170.08351	0.3
171.09193	0.6
171.11290	0.3
173.07074	2.1
173.10732	1.0
175.03798	0.2
175.08649	1.4
175.31633	0.2
180.10214	1.9
182.08328	0.3
183.09181	0.4
184.09955	0.8
185.10712	3.4
186.11430	0.6
187.08655	0.7
187.12302	1.4
189.10254	1.0
191.08139	100.0
192.08495	3.7
193.08551	0.2
197.10681	1.8
199.08717	1.0
199.12300	1.2
200.09297	0.2
200.12549	0.2
201.10249	0.9
202.10936	0.2
203.11807	0.2
203.57672	0.2
211.08702	0.3
213.10211	1.8
215.11787	1.6
216.07663	9.6
217.07944	0.4
219.11324	0.4
225.10194	0.9
227.11763	0.4
231.11270	0.5
233.09239	0.5
233.12852	0.4
243.11380	0.3
245.09229	0.7
245.13042	0.4
253.09625	0.3
255.11349	0.3
260.70428	0.2
263.13904	6.6
264.14117	0.4
271.10751	0.6
289.11789	3.4
307.12854	50.0
308.13156	2.7
330.69257	0.2
350.13428	42.1
351.13837	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	350.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78812	0.3
55.05511	0.4
56.05031	1.6
60.04523	11.6
67.05499	0.6
69.03414	0.9
69.06150	3.3
69.07070	1.2
70.02956	0.5
70.06592	100.0
71.06915	2.0
72.08150	2.1
74.02451	0.5
76.02271	0.4
79.05496	0.6
84.04507	1.1
84.08143	2.5
86.09703	12.4
87.05587	3.6
91.05482	1.4
93.07059	0.5
96.55026	0.4
97.06557	0.4
98.06010	0.5
98.22527	0.6
102.05568	0.3
103.05467	0.9
104.05327	1.4
105.07050	0.4
106.04910	0.4
107.08597	0.4
109.10152	0.3
110.07156	0.8
110.28049	0.3
116.07090	13.4
119.04976	1.0
120.08107	19.8
121.08475	0.6
122.02748	0.9
126.79218	0.3
127.03930	0.4
128.10730	1.2
129.10229	1.5
130.06487	0.3
133.03175	0.9
138.05234	0.4
144.08095	1.7
147.04384	1.6
147.09184	0.9
149.42523	0.3
150.05844	2.6
157.09724	19.6
158.10086	0.5
160.09593	0.3
162.09154	1.6
166.05360	1.6
166.08629	3.4
169.57353	0.3
173.12857	13.7
174.13228	0.5
175.03944	1.5
177.05452	0.4
185.04237	2.1
185.09209	12.4
186.04587	1.2
186.09596	0.3
187.03636	2.9
187.19359	0.3
188.03986	4.2
188.16469	0.8
189.04070	0.3
201.12305	3.2
203.10316	1.1
205.11739	0.5
207.06511	3.4
207.11272	6.8
211.13327	0.4
215.11841	0.5
221.08096	0.5
235.10861	0.7
237.12270	0.7
263.13904	16.3
264.14249	0.8
285.97507	0.4
332.15994	0.8
350.09735	2.4
350.13107	0.6
350.18008	5.6
351.20422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47652	0.6
56.05033	5.1
60.04235	0.7
60.04524	12.5
60.22971	0.7
61.01140	3.1
67.05504	1.0
69.07058	1.3
70.02945	1.4
70.06592	58.4
71.04993	0.9
71.06915	0.8
72.08152	5.3
74.06068	1.1
80.38261	0.7
81.07065	1.3
84.04483	1.1
84.08141	2.8
85.07660	1.6
86.09704	13.0
87.05586	12.8
91.05475	1.6
93.07047	1.9
98.06023	1.3
98.36953	0.7
103.05435	1.5
104.05324	5.2
105.07032	2.8
110.07148	2.1
116.07088	100.0
117.07498	1.7
119.04902	1.0
120.08101	69.4
121.08453	2.1
126.55896	0.7
127.09789	1.5
129.10236	1.7
132.10196	2.3
134.09633	2.2
136.07645	0.8
143.08157	8.7
144.08067	13.6
145.08417	0.8
146.06300	1.3
157.09802	0.7
159.11275	2.1
160.07564	0.9
162.09152	10.5
164.07410	3.2
164.61353	0.7
173.12898	1.0
189.09923	2.3
191.08459	5.4
207.11282	58.6
208.11639	2.3
219.08023	2.7
219.13498	1.3
233.16493	5.2
235.10716	7.8
236.11099	0.9
263.14066	1.6
296.25854	0.9
298.42664	0.7
314.26929	2.2
332.28085	1.3
350.13254	1.0
350.16989	1.0
350.20865	1.0
350.28940	0.8
351.08536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2689
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.01863	0.7
55.05496	3.2
55.05739	0.6
56.05004	1.3
56.08128	0.8
57.03436	12.3
58.06314	1.4
58.06599	24.6
62.06089	64.0
65.03931	1.0
67.05495	7.1
68.05035	0.7
69.03429	1.2
69.07057	4.5
70.06594	4.2
71.04971	1.9
71.06924	0.7
71.30212	0.9
72.08157	18.2
74.06068	1.2
75.04479	0.8
76.96270	0.7
79.05492	9.2
81.07054	12.4
81.45409	0.8
83.04971	5.6
83.08582	0.8
84.08152	3.6
86.06084	0.9
87.06839	1.0
88.07642	1.1
91.05478	58.6
92.05813	2.4
93.07044	7.3
95.04953	2.9
95.08603	5.5
96.08144	4.3
97.06514	3.9
98.06039	0.9
98.09669	2.4
102.09210	0.8
105.07039	4.9
106.63955	0.9
107.04929	2.7
107.08595	3.6
108.08123	4.4
109.06496	2.4
109.10149	3.4
110.09720	3.5
110.10361	0.9
111.04427	2.0
111.08145	1.2
114.09150	2.1
115.05415	1.0
117.07015	5.5
119.06013	0.8
119.08567	2.4
121.10134	2.3
124.11190	1.0
126.09159	8.9
128.10719	6.3
129.07002	8.5
131.08556	8.3
131.17908	0.7
133.10100	2.3
135.08047	1.2
135.11667	1.7
137.05977	13.2
142.12207	0.9
143.08563	1.7
144.06529	1.2
144.10190	32.9
145.10132	2.0
145.91371	0.7
147.11655	2.1
149.13217	1.6
157.10117	16.0
158.10504	0.9
161.09605	0.9
161.13211	1.4
171.11768	1.2
173.13197	0.9
175.11186	10.3
231.17461	1.5
249.18565	1.9
259.20541	1.8
271.20587	1.8
277.17975	4.9
297.22495	0.8
305.20993	1.0
314.24780	3.1
314.27994	0.8
325.89423	0.9
332.25824	25.7
332.29367	4.2
333.20358	1.2
333.26035	2.0
350.19974	3.9
350.26819	100.0
350.30469	13.4
351.17209	1.0
351.21405	17.2
351.27048	7.5
351.30948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2686
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
52.13612	0.3
52.58186	0.3
55.01871	0.3
56.05035	0.9
57.03432	2.3
57.05828	0.5
58.06598	0.8
62.41169	0.3
62.66174	0.3
67.05507	2.1
69.07064	1.0
70.06589	2.5
71.04997	0.6
71.07372	0.5
72.08154	100.0
73.08484	0.8
79.05481	2.0
81.07059	2.0
82.06562	0.4
83.04980	1.1
83.08607	0.4
84.08135	0.8
86.09710	2.5
91.05479	28.4
92.05839	0.9
93.07050	1.1
93.42230	0.3
94.48196	0.3
95.04982	0.3
95.08595	2.0
96.08115	0.4
97.06528	1.9
98.23457	0.8
100.07639	0.5
102.09177	0.8
105.07038	1.1
107.04935	1.2
107.08585	0.5
109.06519	0.3
110.09685	0.5
115.05465	0.6
117.07021	3.6
124.11205	1.8
125.09594	0.3
128.10728	0.5
129.07002	4.0
131.08568	4.0
141.07028	0.5
143.08562	1.8
145.10129	0.9
157.10132	3.4
169.10132	0.4
175.11179	1.1
230.25673	0.5
241.47171	0.6
259.07892	0.3
314.24704	2.5
332.25812	19.8
333.26141	1.2
350.26871	60.9
351.21420	3.0
351.27182	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2687
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
50.91739	3.2
53.00373	3.6
55.05511	12.6
57.03424	7.2
57.07085	4.9
67.05499	18.2
69.07059	12.1
69.11126	36.1
79.05499	11.5
81.07058	23.2
83.08606	5.7
85.59172	4.1
85.63947	4.1
91.05479	38.4
93.07053	16.4
95.04950	4.0
95.08615	22.1
97.06523	5.5
98.23343	9.3
99.08079	4.6
105.07049	14.2
107.08607	7.0
109.06517	13.6
109.10145	6.9
110.06855	10.1
111.95103	4.0
117.07025	27.4
123.08062	33.1
124.08398	17.7
129.06999	14.2
131.08577	5.7
133.10295	5.1
135.08057	3.8
143.08592	15.3
149.96564	3.8
159.11696	4.4
179.14345	29.1
180.14658	32.6
185.13237	9.1
288.76959	4.0
294.21429	7.6
315.23233	30.9
332.26456	5.4
332.29813	5.8
350.27567	100.0
351.27472	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	350.3052
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
53.03941	1.2
55.01879	1.4
55.05514	3.7
56.05031	0.7
57.03433	2.5
58.06604	4.0
62.77787	0.6
65.03936	1.4
67.05505	20.7
69.07068	2.2
69.66006	3.0
70.06592	3.5
72.08155	26.0
73.08508	0.8
79.05487	14.7
81.07056	22.2
83.04961	0.7
83.08621	1.4
84.08132	5.0
85.08924	5.3
86.09706	1.2
91.05482	6.1
93.07043	13.0
94.56464	0.6
95.04971	1.4
95.08605	17.5
97.06535	1.3
98.09694	6.9
105.07009	4.2
107.08597	6.4
109.06521	0.7
109.10155	3.1
112.11257	1.1
117.07011	1.0
119.08593	2.8
121.10094	3.0
123.08028	0.6
124.11240	1.7
126.12743	0.8
131.08575	1.4
133.10092	1.4
140.14345	0.9
145.10081	1.0
147.11656	2.0
149.13290	3.1
159.11714	0.6
171.11865	0.6
189.16365	0.8
196.16943	1.2
197.24200	0.6
214.11725	1.4
305.24567	0.9
332.29468	52.4
333.29871	3.7
350.30521	100.0
351.30835	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	350.3052
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
53.03945	0.5
55.01859	0.7
55.05522	2.1
56.05030	1.1
57.03437	4.4
57.07072	0.5
58.06599	5.0
65.03933	0.4
67.05506	7.7
69.07068	2.3
70.06587	1.4
71.04999	0.6
71.07366	0.5
72.08153	8.3
79.05493	6.2
81.07051	6.8
82.18180	0.4
83.04987	0.9
83.08597	0.6
84.08157	3.0
85.06539	0.5
85.08915	1.6
86.09693	0.9
88.07632	0.5
91.05476	5.9
93.07041	5.0
95.04966	0.9
95.07313	0.4
95.08605	5.4
96.08134	1.1
97.06543	1.8
97.10150	0.5
98.09676	4.7
98.22626	0.7
99.08066	0.5
102.09183	4.0
105.07024	3.7
105.91188	0.4
107.08591	3.1
108.08134	0.6
109.10149	1.6
110.09671	1.0
111.08004	0.4
113.09641	0.4
114.80698	0.3
117.07008	1.6
119.08545	2.9
120.08121	0.7
121.10146	1.4
124.11224	1.0
126.09163	0.6
128.10716	2.2
129.06998	0.5
131.08549	1.9
133.10143	2.3
135.11668	0.8
137.05965	0.6
140.14226	0.4
142.12283	2.9
144.10194	1.2
145.10121	1.6
147.11678	1.1
149.13257	0.7
158.15463	0.6
159.11693	1.2
161.13211	0.5
171.11835	0.6
228.76030	0.4
259.20612	0.7
304.91147	0.4
314.25082	0.5
314.28363	1.4
328.49808	0.4
332.25793	2.1
332.29471	3.8
350.20523	5.2
350.30521	100.0
351.21417	19.4
351.24774	0.4
351.26080	0.7
351.30795	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	350.3051
Annotation	8,11,14-Eicosatrienoylethanolamide
Peak:m/z	Relative Intensity
53.03936	1.7
54.03286	0.4
55.01863	1.5
55.05513	2.8
56.05020	0.7
57.03439	1.5
58.06599	4.5
67.05506	18.8
68.37048	0.4
69.07055	1.5
69.74919	1.9
69.75337	0.8
70.06582	2.2
71.04981	0.7
71.07359	0.6
72.08159	23.5
79.05497	12.9
81.07058	22.3
84.08149	4.8
85.08925	4.7
86.09706	0.7
91.05479	5.0
93.07047	10.2
95.04982	0.9
95.08605	16.4
96.08186	0.6
97.06542	1.1
98.09682	5.7
105.07028	4.1
107.08587	6.1
109.10172	2.4
117.06995	0.7
119.08615	2.5
121.10138	1.8
122.09723	0.5
123.93362	0.6
124.11299	0.9
126.12804	1.0
131.08557	1.6
133.10121	1.0
135.11760	0.5
140.14307	0.7
145.10086	1.2
147.11678	1.5
149.13266	1.9
159.11685	0.7
161.13248	0.6
173.13274	1.1
196.16982	1.6
332.29465	53.4
333.29889	5.6
350.30530	100.0
351.30865	10.0
351.34912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
56.05020	2.0
56.96566	24.8
69.03395	0.6
69.07066	1.2
70.06588	7.8
70.75005	1.8
71.95260	1.4
72.08158	6.2
74.02430	1.7
74.06055	1.1
76.64373	0.6
83.06058	0.8
84.04487	3.1
84.08140	28.5
84.96044	6.8
85.02900	1.9
85.40442	0.7
86.09702	5.4
86.63095	0.7
87.10017	0.8
91.05471	1.2
95.06094	1.9
97.02911	0.7
98.97579	100.0
100.56866	0.7
103.05479	0.7
110.07162	7.7
110.97569	16.6
112.08696	0.8
112.99117	3.4
115.08685	1.7
116.07082	1.4
116.98617	32.6
119.01899	1.8
119.04948	1.1
120.02007	1.3
120.08100	31.9
124.99103	0.8
126.97078	1.2
127.00637	1.2
128.98601	13.3
129.02261	1.5
129.09331	1.1
129.10233	15.3
130.08641	8.3
131.00206	3.5
131.01944	0.8
132.02003	1.1
134.99660	8.2
136.06212	5.0
136.07552	5.3
137.06453	0.9
139.00601	0.9
140.00185	0.7
140.98573	1.8
143.00180	4.4
144.98077	2.0
145.01703	2.3
146.99644	4.9
147.03314	7.0
147.04387	0.9
147.07590	0.8
147.11269	9.4
149.01202	0.8
152.98621	3.9
157.03445	1.2
158.01237	0.9
158.13728	0.8
158.99658	28.8
161.01193	1.7
162.99153	2.1
163.02751	2.6
163.03960	1.0
165.04359	5.8
166.05246	1.3
166.08643	1.0
170.99629	5.5
171.03195	1.1
174.97697	0.9
175.02791	2.0
175.52330	0.7
176.04370	0.9
177.00711	26.1
177.04213	1.9
177.10223	6.2
182.99670	1.0
186.03102	0.9
186.12439	2.8
189.00696	2.9
189.04312	7.1
193.03749	1.1
194.05260	2.2
195.01727	0.9
195.05382	4.5
195.07219	1.4
196.05078	1.1
201.00743	2.6
201.04366	1.3
207.01698	1.0
207.05443	3.1
216.09062	0.7
218.05168	1.4
219.01764	21.1
219.05162	3.9
220.05031	1.0
220.10799	1.8
231.05354	7.3
235.04813	1.3
237.02798	32.2
237.06435	1.9
237.13426	3.6
238.03349	0.7
244.98256	2.8
249.06487	2.4
252.05928	0.7
253.05734	0.9
255.03880	2.2
261.05505	2.8
262.99234	4.2
279.06580	2.1
287.17654	1.2
291.07465	28.4
292.07739	1.5
309.08551	94.1
310.08890	4.4
316.07288	0.9
316.16547	1.1
327.09653	1.2
327.99326	0.8
332.10101	1.6
341.00085	0.8
345.76199	0.8
350.21545	0.9
351.09811	44.8
351.19778	9.2
351.72812	1.0
352.09692	4.6
352.19852	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	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	56.8
62.73824	2.8
69.15438	20.3
70.89355	3.0
71.95253	6.1
90.24505	3.2
98.22623	6.0
110.97569	15.9
128.98596	15.8
146.99614	4.1
151.09129	2.9
155.03824	3.3
171.03415	3.1
199.06424	5.8
203.05782	3.1
213.08017	5.1
213.13869	3.0
217.07521	7.2
218.04674	3.6
223.09991	4.5
231.09155	3.4
239.09624	6.8
241.11137	77.3
241.13426	5.8
251.09612	3.8
259.12183	77.7
264.12738	4.7
269.10635	5.8
282.13797	5.2
287.11548	3.3
326.84705	3.1
333.17523	5.5
351.18369	65.7
352.18613	5.7
369.19482	100.0
370.19806	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	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
56.05030	2.0
56.96567	10.3
60.04541	0.7
60.05661	0.5
65.02936	0.4
67.05494	0.4
69.03431	0.6
69.07053	0.7
70.06597	8.2
71.04996	0.6
71.06930	0.4
71.28137	0.4
71.95265	0.7
72.08157	6.4
74.06081	1.1
81.03409	0.5
81.04575	0.4
82.06582	0.6
83.06117	0.7
84.04519	2.1
84.08147	72.7
84.96055	2.0
85.02909	0.5
85.06547	0.6
85.08487	1.5
86.09705	3.1
91.05489	1.2
93.04533	0.4
93.07044	1.0
95.06094	1.2
98.06050	0.4
98.97588	59.4
99.97938	0.6
101.10776	2.0
102.05537	0.8
102.09218	0.4
102.97056	0.5
103.05459	2.1
107.04946	0.5
110.07160	7.7
110.97576	4.9
111.09172	0.8
112.07600	0.7
112.08731	1.2
112.99117	0.8
113.07139	0.4
115.08704	1.3
116.07108	0.7
116.98624	23.1
119.01917	0.7
119.04974	0.6
120.08109	100.0
121.08450	3.4
124.99118	0.4
126.97073	0.5
127.00764	0.4
128.07082	0.5
128.98601	4.6
129.02249	0.7
129.10246	35.8
130.04953	0.5
130.08644	25.1
131.00195	0.8
131.08975	0.5
134.99680	6.0
136.06093	0.6
136.07602	2.1
138.06631	0.5
139.08667	0.9
140.00226	0.5
140.98628	0.8
141.10240	0.7
143.00142	1.3
143.11722	0.6
144.98111	0.6
145.01697	1.2
146.99673	1.9
147.03358	1.7
147.04366	0.5
147.11290	31.4
148.11600	0.4
152.98618	0.9
156.07721	0.4
158.99660	16.2
161.01213	1.0
162.99162	0.7
163.03899	0.6
164.11745	0.8
165.04329	1.4
166.06197	2.1
166.08624	0.4
169.09738	0.6
170.99657	1.6
171.03256	1.1
172.10872	0.6
174.97621	0.7
175.02730	0.7
175.11877	0.6
177.00732	13.5
177.10246	24.0
178.01006	0.5
186.12352	3.5
187.08662	0.8
189.00700	0.9
189.04372	5.6
190.14378	0.6
192.03575	0.5
192.98660	0.4
193.03854	1.0
195.01788	0.9
195.07343	1.0
199.11911	0.5
200.02353	0.6
201.00728	0.9
204.13449	1.8
205.09721	3.6
207.05371	1.2
209.13968	0.7
210.04610	0.7
211.04845	2.2
212.04417	0.7
219.01761	6.7
220.02000	0.5
220.10719	1.7
221.02789	0.4
227.11954	0.4
231.05489	1.8
231.14479	0.4
232.96538	0.9
235.04906	1.7
235.11858	0.4
237.02806	9.2
237.04816	0.4
237.13408	3.3
237.64496	0.6
244.98120	1.1
249.06348	1.0
250.97314	0.6
252.05759	0.5
253.06026	1.8
253.12881	0.5
254.05525	0.4
262.99133	0.7
263.13443	1.0
276.17050	0.4
287.17599	1.6
287.67725	0.9
291.07471	10.8
291.12332	0.5
294.18091	2.5
307.16113	0.4
309.08557	34.1
310.08838	1.6
316.16602	2.0
332.09808	0.7
342.01477	0.8
342.71085	1.3
351.09683	11.5
351.20059	21.9
351.72858	0.6
352.10138	0.8
352.20013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
60.95099	0.6
65.93814	0.6
66.96324	0.5
67.05490	0.7
69.88239	2.4
69.88616	1.2
79.71043	0.5
102.96771	0.6
235.12857	0.6
333.20404	0.9
351.21411	100.0
352.21744	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	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.05033	1.0
57.03424	0.9
58.06594	1.7
67.05496	2.8
69.07047	1.4
69.10082	7.5
70.06570	1.8
72.08144	5.4
73.08469	1.0
76.81636	0.8
79.05463	1.9
81.07033	3.7
84.08140	2.1
91.05476	2.9
93.07040	1.8
95.04933	1.0
95.08598	2.4
97.06494	1.0
99.72116	0.7
101.06008	1.1
105.07026	2.9
107.04991	0.8
107.08601	1.9
109.06541	1.6
109.10178	1.3
111.08067	1.0
119.08582	1.3
120.08086	0.9
121.10121	2.0
128.10724	1.8
131.08643	0.8
133.10144	1.2
135.11670	0.8
137.05937	3.8
138.10710	0.7
147.11650	1.1
161.13249	0.8
163.24600	0.7
172.11996	0.9
259.20523	1.8
259.24619	0.8
277.21594	0.8
333.20285	4.5
351.21387	100.0
352.21729	9.0
352.28336	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37147	0.9
58.95971	1.0
67.05515	1.2
69.60586	0.9
70.13526	1.9
70.13845	1.4
79.05494	1.1
80.94860	2.5
83.00226	1.0
88.34560	0.9
93.07044	1.4
118.50824	1.1
136.83759	1.2
238.88980	1.1
265.37177	1.0
281.13516	1.1
351.21432	100.0
352.21716	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	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05505	0.9
56.05063	0.8
57.03430	1.0
58.06602	6.6
59.06936	0.5
67.05508	3.5
69.07066	1.0
70.06595	0.9
71.04980	0.6
72.08160	8.1
73.08482	0.9
79.05502	2.1
81.03447	0.4
81.07059	4.5
82.07379	0.5
83.04993	0.8
84.08134	1.4
91.05484	4.5
92.05817	0.9
93.07055	2.8
95.04964	1.1
95.08609	2.3
97.06500	0.5
97.16444	0.5
105.07024	2.4
107.08591	2.0
109.06534	0.7
109.10165	0.9
110.07145	0.5
111.04442	0.5
113.09618	0.6
117.07014	0.6
119.04932	0.5
119.08593	1.7
120.75578	0.4
121.06511	0.4
121.10152	1.8
123.08057	0.6
128.10693	2.4
131.08569	1.3
133.10126	1.2
135.11690	1.2
136.07558	0.5
137.05984	2.4
145.10196	1.1
147.11703	1.3
149.09561	0.7
149.13203	0.5
161.13184	0.8
163.14738	0.5
171.11781	0.5
173.13264	0.6
175.03883	0.5
175.14932	0.5
213.41562	0.5
259.20581	1.8
263.12009	0.7
277.18021	1.1
315.19791	0.5
333.20340	2.7
333.26257	3.2
334.27374	1.1
337.24472	0.5
351.21429	100.0
351.26804	4.9
352.21759	8.4
352.28461	4.4
369.55008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2157
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.01870	6.4
55.05507	5.9
57.03421	5.5
57.07071	2.4
58.06601	38.5
62.06084	3.3
67.05505	17.6
69.03416	3.0
69.07059	8.3
69.14170	2.3
70.06585	5.2
70.57098	6.2
71.04980	3.7
72.08134	6.8
77.68910	2.5
79.05493	16.4
81.03421	4.3
81.07056	35.5
81.58398	2.0
83.04954	3.2
83.08607	3.3
84.08109	10.9
85.06516	3.2
85.12774	2.1
88.07645	4.6
91.05482	15.7
93.07037	22.4
95.08598	9.9
96.08105	3.0
105.07019	10.3
107.08615	12.1
107.09223	2.1
108.08109	3.6
109.06504	9.6
109.10155	6.1
110.09673	7.5
111.04449	12.3
116.92755	2.1
117.07021	3.9
119.08593	8.5
120.08138	3.4
121.10145	9.4
123.08028	3.1
123.11658	2.7
125.06001	3.3
128.10712	7.5
129.07045	3.0
131.08545	6.5
132.08824	2.3
133.10104	8.5
135.08014	3.3
135.11682	7.1
137.05971	68.3
138.06363	2.5
144.10197	6.7
145.10132	5.8
147.07985	2.6
147.11667	10.1
149.09654	3.1
149.13268	3.5
157.10164	3.4
160.37338	2.3
161.09631	5.1
161.13258	5.2
163.11282	2.9
171.11702	2.8
173.13197	2.9
175.11198	2.4
175.14909	5.0
193.12234	2.3
202.91161	2.1
203.17964	4.6
231.17432	5.6
249.18456	8.2
259.20526	5.9
277.17966	23.9
295.19080	4.4
305.20782	3.4
316.26450	2.9
333.20532	5.2
333.26175	6.8
334.27432	22.4
351.13934	3.9
351.17114	4.8
351.21436	100.0
351.26657	6.6
351.31024	7.5
352.21646	8.1
352.28409	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01866	6.1
55.05508	6.4
57.03438	3.3
57.07060	1.1
58.06593	1.7
65.03934	0.9
67.05505	11.5
68.05830	1.5
69.03432	1.0
69.07064	5.1
69.38880	2.0
70.06584	1.1
71.06925	0.6
71.07343	0.4
71.08247	0.4
72.08154	8.9
73.08488	1.7
79.05491	11.4
80.05802	1.7
81.03408	0.4
81.07054	38.6
82.07375	2.8
83.04971	1.9
83.08624	1.9
84.08134	1.5
85.06541	0.5
85.08467	0.4
85.08921	1.6
86.09226	0.4
91.05477	4.9
92.05813	0.4
93.07043	7.6
94.07353	1.8
95.04971	0.7
95.08604	9.9
96.08924	2.0
97.06541	1.0
98.09700	1.9
98.23368	0.6
99.08008	0.3
99.09993	0.6
105.07020	4.2
106.07375	0.8
107.08592	5.9
108.08889	0.8
109.06514	12.6
109.10152	3.2
110.06899	0.3
110.10459	0.4
111.04439	14.7
111.08072	1.0
112.04771	0.7
113.06020	0.4
117.07004	1.4
119.08568	5.5
120.08901	0.7
121.10139	4.5
122.10466	0.6
123.08071	1.8
123.11703	1.3
124.11231	0.4
125.05974	4.1
127.07498	0.4
129.07074	0.4
131.08566	2.1
133.06447	0.3
133.10129	4.9
134.10472	0.4
135.08052	2.9
135.11676	4.1
137.05971	100.0
137.13237	2.2
138.06294	3.9
139.07516	0.6
140.14317	0.5
143.08545	1.1
145.10118	1.7
147.08041	1.1
147.11678	5.9
148.12035	0.5
149.09619	3.5
149.13231	2.2
150.13606	0.5
151.07571	2.5
151.11179	1.5
157.10152	1.9
159.11699	0.9
161.09602	4.7
161.13264	2.7
163.11162	3.2
163.14897	0.8
165.09134	2.6
165.12794	0.7
167.10706	1.0
171.11713	0.9
173.13329	0.8
175.11188	3.8
175.14838	1.4
179.10657	1.9
181.12238	1.0
185.13248	0.6
189.12726	1.1
193.12270	1.2
197.17332	0.4
203.14345	0.5
203.17950	6.1
203.19858	0.4
204.18312	0.4
205.19519	1.2
207.13916	0.4
213.16356	2.2
218.52612	0.3
221.18967	2.0
231.17426	10.4
232.17740	0.7
241.15886	1.2
241.19511	0.4
249.18495	9.7
250.18895	0.9
259.20621	0.8
277.17978	36.6
278.18362	2.8
295.19107	3.5
333.29782	20.9
334.30331	1.1
351.18246	0.9
351.21860	5.7
351.30847	44.0
352.21786	0.7
352.31512	2.0
355.74402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62791	20.5
55.05506	23.3
55.69160	20.6
67.05497	79.2
72.08166	22.1
78.25885	18.9
79.05486	42.5
80.94831	37.3
81.07048	79.5
91.05471	74.5
93.07062	77.0
95.08595	66.9
105.07022	47.7
107.08598	45.9
109.06557	25.5
119.08612	53.5
121.10129	51.0
133.10130	51.4
135.11700	60.7
141.28477	20.1
145.10114	25.1
147.11635	56.9
149.13280	25.1
161.13252	39.4
165.12840	27.0
171.11877	37.4
175.14922	22.3
241.19536	25.3
259.20465	100.0
292.95874	25.5
343.60788	24.8
351.21530	30.0
351.25327	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18447	1.8
53.03939	3.3
55.01865	3.5
55.05510	36.7
57.03439	48.8
57.07081	8.4
65.03917	3.1
67.05505	68.0
69.07071	24.6
69.60073	10.6
71.04995	4.6
72.08155	8.7
75.04448	1.8
79.05493	71.1
81.07059	87.2
82.07364	2.5
83.04965	4.9
83.08619	17.1
85.06535	7.8
91.05479	53.2
93.07045	100.0
94.07378	2.1
95.04988	8.2
95.08604	66.7
97.06521	7.4
97.10159	6.1
98.09742	1.9
99.08090	5.3
105.04526	2.4
105.07031	50.4
107.08587	53.6
108.08928	2.9
108.63230	1.6
109.06530	6.2
109.10155	26.0
111.08059	4.1
117.07018	14.8
119.07774	3.4
119.08587	49.6
121.06402	1.8
121.10145	49.4
123.08056	4.4
123.11700	7.6
125.09634	3.5
129.06982	7.7
131.08571	16.2
133.10129	42.1
134.10443	2.2
135.08051	2.4
135.11688	34.0
137.09581	4.2
137.13303	2.7
139.11166	2.4
143.08542	5.4
145.10143	18.0
147.11685	36.5
149.09639	4.9
149.13254	22.8
151.11208	3.3
157.10126	6.2
159.11696	19.6
161.09639	2.1
161.13243	21.8
162.69191	1.7
163.11189	2.8
163.14854	6.3
165.12764	4.6
171.11719	8.4
173.13208	9.3
175.14786	11.5
177.12721	4.0
177.16339	2.4
185.13196	8.2
187.14848	10.1
191.14316	2.0
195.13698	2.3
199.14795	8.3
203.17976	3.5
205.15924	4.6
207.13704	2.6
213.16360	3.2
217.15935	2.3
221.15346	2.2
221.19063	4.2
231.21117	4.2
241.19490	20.2
259.20554	57.2
260.20923	6.0
271.52219	2.2
277.21677	21.5
278.22235	2.0
303.03677	1.7
307.79459	1.7
333.24243	5.0
334.30984	10.3
351.21582	3.0
351.25266	77.4
351.29987	3.9
352.25604	5.9
352.32077	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01860	3.4
55.05515	23.6
56.70830	2.8
57.03428	7.5
60.16235	2.6
62.54847	2.5
64.93449	3.0
65.03954	3.0
67.05508	55.0
68.70979	2.6
69.07078	22.3
70.20529	3.3
75.04488	4.4
77.03906	3.2
79.05497	79.0
80.94833	3.2
81.07060	63.8
83.08626	7.8
85.06521	4.0
88.41343	2.5
91.05482	54.1
91.35587	2.4
93.07048	100.0
94.41579	2.7
95.04970	5.9
95.08603	39.0
105.04536	2.6
105.07027	52.1
107.08604	55.7
109.10172	12.5
115.11706	2.8
117.07045	12.9
119.08587	55.7
121.10142	45.0
121.11430	2.9
123.11752	3.7
125.09590	2.9
129.07031	5.9
131.08594	23.8
133.10138	54.7
135.11708	44.6
143.08578	6.3
145.10143	23.6
146.87125	2.7
147.11688	51.8
149.13257	24.6
157.10173	9.3
159.11694	21.9
161.09703	3.1
161.13261	40.1
163.11180	3.4
163.14836	12.3
171.11714	11.2
173.13287	10.4
175.14838	20.8
177.12859	3.8
185.13263	12.4
189.12813	4.7
192.39713	2.8
199.14879	8.5
213.16438	4.6
217.19501	5.5
231.21031	9.1
241.19516	38.4
241.88293	2.9
259.20593	96.5
260.20859	7.7
277.21613	20.7
305.88828	2.9
333.24191	7.1
351.25275	55.7
351.29367	4.9
352.25653	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88705	1.4
53.03934	6.6
55.01869	3.9
55.05512	33.5
57.03439	50.9
57.07064	6.4
57.09356	1.7
58.06587	1.7
60.38315	1.6
65.03946	3.4
67.05504	77.0
69.06725	2.1
69.07069	26.0
69.14181	1.2
70.05096	2.9
70.05482	3.4
71.04985	3.4
72.08150	10.5
79.05490	77.3
80.05833	1.6
81.03394	1.5
81.07057	100.0
82.07368	2.2
83.02670	1.4
83.04979	7.1
83.08613	17.3
85.06541	10.5
85.08917	3.1
91.05479	59.5
93.07041	92.1
93.84743	1.5
94.07358	2.2
95.04959	6.5
95.08606	78.8
96.08939	1.8
97.06549	8.6
97.10159	5.5
98.09727	2.2
99.08084	5.9
105.04507	2.4
105.07027	52.6
106.07331	1.5
107.08590	60.7
108.08906	1.8
109.06518	5.8
109.10148	24.2
110.10487	1.8
111.08074	4.6
117.07004	13.2
119.08575	48.2
120.08935	1.3
121.10136	48.2
122.10442	1.6
123.08057	4.1
123.11720	9.0
124.54095	1.5
125.09618	4.2
129.06976	6.0
131.08560	24.5
133.10130	45.7
134.10464	2.5
135.11693	39.8
136.12042	2.5
137.09596	6.3
137.13211	3.3
139.11209	2.1
143.08543	6.0
143.95808	1.5
145.10110	18.1
146.04800	1.6
147.11681	40.1
149.09616	4.1
149.13237	25.6
151.11191	3.2
157.10146	6.8
159.11673	20.0
161.13257	22.6
162.13513	1.8
163.11154	3.2
163.14804	7.0
165.12737	2.9
168.89037	1.5
171.11679	8.8
173.13220	8.6
175.11226	1.9
175.14842	12.3
177.12718	5.6
177.16313	2.4
181.12115	1.8
184.07600	1.6
185.13258	9.3
187.14752	10.4
189.12694	1.6
189.16263	1.9
193.15831	2.0
199.14841	7.7
201.16391	1.8
203.14342	1.9
203.17870	2.7
205.15877	5.8
213.16357	4.1
217.19479	2.6
221.15431	1.9
221.19058	4.6
231.17374	2.2
231.20995	5.0
241.19543	22.3
259.20578	58.3
260.20990	3.2
266.78491	1.8
277.21631	21.2
333.24124	6.6
333.29938	1.8
334.31091	20.7
351.21408	2.4
351.25232	68.9
351.30377	4.2
352.25500	5.6
352.32077	34.3
358.44101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33746	2.1
53.03946	7.3
55.01867	9.9
55.05513	33.2
57.03440	36.0
57.07075	7.1
65.03935	4.1
67.05505	94.1
68.05830	2.5
69.07068	30.8
69.64790	8.4
71.04996	5.1
71.08632	42.4
72.08141	8.5
77.03944	3.5
79.05494	76.2
81.03435	5.3
81.07056	100.0
83.04974	9.9
83.08616	17.1
85.06542	7.1
91.05477	65.4
91.06005	4.8
93.07043	94.3
95.04965	8.8
95.08616	63.1
95.09229	3.1
97.06522	11.6
97.10171	7.7
98.22670	3.7
99.08095	33.8
101.02629	2.6
105.06373	4.9
105.07032	53.2
107.04959	6.5
107.08596	63.6
109.06532	7.0
109.10146	33.0
111.08087	8.9
117.07010	13.6
119.08581	49.4
121.06609	2.3
121.10137	41.6
123.08097	3.8
123.11725	8.7
125.09661	5.0
129.05557	3.0
129.07016	7.1
131.08560	17.7
133.10130	43.8
135.08098	3.8
135.11684	43.8
137.05988	7.0
137.09608	5.4
143.08566	9.3
145.10130	19.0
147.11691	33.3
149.13254	21.4
151.11208	15.1
157.10089	4.9
159.11740	14.9
161.13255	25.6
163.11171	7.3
163.14824	6.7
165.12764	3.2
167.10721	3.8
171.11720	9.3
173.13260	7.1
175.11183	4.1
175.14780	13.5
177.12692	2.9
179.14310	67.7
180.14743	3.1
185.13248	8.1
187.14886	6.8
189.12756	3.6
199.14871	3.9
201.16440	3.7
213.16397	4.2
221.26024	2.4
231.21075	5.9
235.16914	2.7
241.19492	15.9
259.20587	56.9
260.21069	5.3
277.21646	36.2
317.15292	2.4
329.16013	2.4
334.30981	3.5
351.16016	3.6
351.25308	63.5
352.25662	7.0
352.32047	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31650	2.8
53.03954	5.7
55.01877	2.6
55.05508	13.2
57.03431	4.8
57.07076	3.7
67.05508	42.3
69.07065	12.9
71.04984	2.3
71.06425	3.3
71.06752	2.5
75.04462	3.1
79.05495	55.4
80.75645	2.9
80.94852	4.6
81.07063	49.6
83.08628	3.8
85.06536	5.9
91.05482	51.0
93.07048	72.0
94.07401	3.2
95.04992	4.5
95.08609	36.1
97.06534	2.8
99.08102	4.3
105.07026	59.0
107.08596	37.8
109.10141	12.2
113.09625	2.6
117.07037	10.4
119.08582	52.6
121.10147	31.6
123.11714	3.8
129.07025	6.8
131.08553	20.9
133.10149	45.0
135.11699	32.6
143.08591	5.5
145.10138	20.9
147.11696	53.0
149.13266	17.5
151.11211	2.8
154.57953	2.6
157.10208	7.1
159.11682	17.0
161.13258	36.2
163.11290	3.7
171.11755	14.1
172.12341	2.9
173.13284	11.3
173.79651	2.4
175.14819	12.8
177.12852	3.0
180.52708	2.7
185.13289	15.6
199.14835	8.9
213.16368	3.9
231.17401	3.5
231.21123	8.2
241.19524	34.0
242.20073	2.6
259.20587	100.0
260.20953	7.6
277.21677	7.1
336.05048	2.2
351.21771	2.3
351.25320	54.0
352.25739	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01874	86.2
55.05513	47.2
56.02207	1.3
56.05824	0.8
56.96584	0.9
57.03439	18.0
57.07080	12.3
65.03923	1.9
67.05506	49.3
69.03413	2.1
69.07069	22.2
69.61501	2.3
69.61874	1.3
71.04988	3.8
71.08631	9.7
79.05495	35.3
80.94839	1.0
81.03423	4.3
81.07059	60.7
82.07389	1.3
83.04988	15.7
83.08144	1.8
83.08621	26.6
84.08994	0.8
85.06551	3.4
85.10188	17.6
91.05482	35.6
92.05786	1.5
93.07046	35.8
93.07632	1.8
94.07378	1.1
95.04974	13.8
95.08606	46.2
97.06530	16.1
97.10167	5.9
98.23266	1.2
99.08088	7.1
105.04527	1.1
105.07026	23.3
106.07336	1.0
107.04964	7.8
107.08601	20.1
109.06513	9.1
109.10156	18.0
111.04482	0.9
111.08082	90.0
112.08463	1.9
113.09643	20.2
114.06619	1.0
117.07037	2.8
118.49694	0.7
119.08588	15.5
120.08103	3.6
121.10148	18.4
122.10481	0.9
123.08073	7.0
123.11722	9.2
125.09618	1.8
129.07007	3.4
131.08580	4.9
133.06483	1.5
133.10130	22.3
135.07999	1.1
135.11688	13.3
137.09604	4.5
137.13289	2.3
139.11154	4.0
143.08545	2.5
145.10069	4.0
147.08023	1.6
147.11694	13.4
149.09612	6.1
149.13268	9.4
151.11195	10.0
151.14828	1.0
153.09102	1.1
153.12740	8.4
157.10129	3.0
158.10016	3.8
159.11659	1.7
161.09665	1.2
161.13290	11.1
163.11189	6.3
163.14899	2.5
165.12762	23.4
167.10667	1.5
171.11774	2.7
173.13246	2.2
175.11194	3.3
175.14799	5.0
177.12672	1.8
179.14282	9.3
181.12244	2.8
185.13284	3.1
189.12753	1.9
189.16417	1.8
193.12247	1.9
193.15935	1.8
199.14919	1.1
203.14201	1.6
207.13800	2.7
217.19479	1.2
221.15456	2.3
231.21100	5.6
235.16936	0.9
241.19450	4.0
249.22134	17.8
250.22293	1.2
259.20581	8.7
277.21634	100.0
278.21936	7.0
295.22812	5.9
351.18112	3.7
351.25284	31.5
352.25562	3.2
358.71866	1.0
369.19537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01875	13.2
55.05509	36.8
57.03439	21.2
57.07076	10.4
65.03942	4.0
67.05507	98.6
68.66930	2.6
69.03429	6.3
69.07069	39.7
69.79991	12.2
70.06606	3.6
71.05005	4.7
71.08634	53.3
72.08151	19.1
79.05495	78.0
80.05843	2.5
81.03423	9.0
81.07056	96.8
81.07524	6.0
83.04990	16.1
83.08624	21.5
85.06563	6.8
91.05478	59.7
91.06016	4.9
93.07044	100.0
93.07632	5.7
95.04959	25.4
95.08604	69.4
97.06528	15.6
97.10184	11.8
98.22799	4.9
99.08091	38.9
105.07027	37.7
107.04979	8.2
107.08593	49.6
109.06519	26.2
109.10156	35.1
111.08070	4.4
113.09648	3.1
117.07029	7.1
119.08586	40.5
121.06542	4.8
121.10149	39.4
123.08083	8.5
123.11713	9.2
125.09635	8.6
129.06985	3.6
131.08588	18.0
133.10149	27.9
135.08131	4.1
135.11696	43.9
137.06012	7.6
137.09615	16.1
139.11177	3.4
141.09108	4.1
143.08545	4.4
145.10143	14.6
147.11690	26.8
149.09598	3.9
149.13240	22.6
151.11154	19.6
153.12701	3.0
157.10164	9.6
159.11732	13.4
161.13272	21.6
163.11172	10.8
163.14806	7.7
165.12755	44.1
167.10750	3.5
171.11688	3.4
173.13309	7.0
175.11234	3.3
175.14847	9.0
177.12767	5.4
179.14302	73.1
180.14581	4.3
181.12241	2.7
185.13312	7.2
191.14250	4.9
213.16388	6.2
221.15363	3.3
231.21088	4.2
235.16946	3.4
241.19528	9.7
249.22179	4.3
259.20618	31.0
260.20853	3.3
277.21622	40.6
289.21625	17.0
333.24295	4.4
334.27499	3.9
334.30939	3.8
351.25290	91.0
352.25311	5.6
352.31903	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	351.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.4
58.86153	15.8
67.05508	60.6
69.98338	41.1
71.08626	54.5
79.05495	53.3
81.07068	61.3
83.08628	23.7
91.05495	30.4
93.07072	38.0
95.08628	30.5
97.06509	19.7
99.08099	37.1
103.77892	14.6
104.46715	15.6
105.07101	17.6
107.08575	28.2
119.08637	18.1
133.10248	23.3
135.11711	34.2
137.05968	100.0
161.13287	15.9
179.14359	65.2
215.12140	22.5
259.20517	16.6
269.11862	20.4
277.21713	31.6
307.22925	16.3
333.17413	27.2
351.18423	36.6
351.25433	36.7
351.30896	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1656
Annotation	H-TRP-PHE-OH
Peak:m/z	Relative Intensity
52.80927	0.3
55.01878	0.5
61.25670	0.3
66.04523	0.4
69.03420	0.4
70.06609	0.9
70.45444	0.9
70.45795	0.5
72.08157	0.7
77.03880	0.5
79.05476	0.6
84.08138	0.8
86.09701	0.5
89.04038	0.4
91.05481	3.8
93.07034	0.8
96.08129	0.6
101.52705	0.5
103.05460	3.0
105.07024	0.7
107.04951	0.5
110.07204	0.5
114.09152	0.8
115.05449	5.3
117.05775	4.3
117.06998	2.4
118.06561	2.3
120.08103	22.6
121.06480	0.5
128.04950	1.5
130.06525	42.7
131.04913	0.5
131.06870	1.3
132.08086	55.7
133.08406	1.5
136.07520	0.7
142.06514	10.1
143.07304	2.1
144.08080	49.3
145.08456	2.0
146.06007	18.0
147.06384	0.7
158.08366	1.3
159.09171	100.0
159.90581	0.4
160.07593	5.3
160.09535	3.7
166.08604	0.7
170.06004	23.0
171.06323	0.9
172.07584	0.6
175.08640	1.0
188.03883	0.4
188.07062	2.0
192.06523	0.9
205.09715	1.0
206.08136	0.4
232.11153	0.7
244.11108	0.6
247.12283	0.5
261.13693	0.5
289.13425	1.1
293.12668	1.4
307.14209	2.9
335.13879	44.4
336.14120	2.9
352.16577	2.0
352.24716	1.1
353.15164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
58.85504	0.6
60.04520	5.5
68.70611	0.6
70.02924	0.7
70.06584	3.9
72.08163	9.0
84.08146	3.1
86.09708	15.9
87.05592	5.4
91.05484	7.8
93.07082	1.0
98.22507	1.5
103.05483	1.1
105.07046	1.8
110.06046	2.2
110.07184	2.1
114.02715	0.7
118.08647	0.9
119.04947	9.4
120.08105	36.8
121.08461	2.0
129.10243	1.8
132.10207	6.3
136.06213	19.0
136.07585	100.0
137.07913	3.0
144.08073	8.2
147.15802	0.9
148.07626	1.3
162.09160	6.0
164.07057	9.2
166.08612	0.8
182.08081	6.0
185.08302	1.1
187.10713	1.1
193.09729	55.3
194.10013	2.2
202.10944	1.1
207.11296	34.6
208.11646	1.4
220.11960	21.4
221.09232	7.5
221.12164	1.1
235.10748	6.3
237.13406	1.4
253.15269	1.7
257.10934	0.8
265.15628	1.0
286.42456	0.8
352.22260	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	352.1868
Annotation	Gly Leu Tyr
Peak:m/z	Relative Intensity
50.73508	0.7
55.05513	0.9
56.05036	1.8
60.04519	0.6
66.24374	0.7
69.03426	1.3
69.07076	0.9
69.74677	1.3
69.75082	2.3
70.06593	6.2
72.08166	4.3
72.08521	0.8
72.21116	0.6
74.06060	0.6
75.05619	0.9
77.15595	0.7
81.03398	0.8
84.04508	1.5
84.07707	0.7
84.08116	3.2
86.09708	100.0
87.10030	2.0
91.05477	7.2
94.96152	0.8
95.04975	1.7
98.23244	1.2
101.07137	1.3
107.08604	0.9
110.07162	3.3
112.08733	0.6
115.05007	0.6
118.06520	0.6
119.04950	10.4
120.08120	1.8
123.04430	8.3
124.07597	0.6
129.10243	2.5
130.06570	0.9
131.08542	1.1
136.07578	35.8
137.07967	0.7
140.74799	0.7
143.11797	71.4
143.39433	0.6
144.12114	2.0
146.05977	1.0
147.04419	5.4
148.04683	0.8
155.10619	0.8
158.08499	0.8
159.09145	0.9
165.05473	18.0
166.06046	1.3
171.11284	15.5
173.13170	1.5
175.03838	0.8
182.08138	33.1
183.08430	1.2
207.06718	0.8
237.13412	1.3
288.13391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05050	0.6
60.04531	4.7
67.05498	0.7
67.29609	0.6
69.32773	4.1
70.02933	1.1
70.06593	1.6
72.08147	7.1
84.08144	1.9
86.09701	15.5
87.05598	5.1
91.05479	10.6
92.31227	0.7
103.05505	1.1
105.07024	1.4
107.04914	0.7
109.60770	0.7
110.06049	1.7
110.07163	2.0
117.07031	1.0
118.08666	0.9
119.04941	9.4
120.08101	29.3
121.08429	0.9
129.10225	1.0
132.10222	5.7
136.06206	21.8
136.07584	100.0
137.07925	2.7
144.08055	5.1
145.08308	0.8
148.07576	1.0
162.09140	5.0
164.07063	6.2
182.08144	2.8
185.08304	1.0
193.09715	52.1
194.10085	1.7
202.10979	1.5
207.11284	26.1
208.11714	1.2
209.24506	0.6
220.11932	21.2
221.09222	7.7
221.11461	0.8
221.12189	0.8
235.10706	4.3
253.15128	1.5
265.15451	1.5
282.05765	0.8
295.16464	1.1
352.13242	0.7
352.22110	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	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10545	0.4
55.05495	0.6
56.05045	0.7
57.42636	0.5
58.61691	0.4
58.74147	0.4
58.94053	0.4
67.05495	0.5
70.06604	1.8
71.29964	0.5
72.08158	100.0
73.08481	1.4
73.48319	0.4
75.68066	0.4
79.05482	1.0
81.07053	0.9
84.08157	1.3
91.05481	0.9
93.07054	1.0
95.08620	0.7
96.08142	0.6
97.65096	0.4
100.07602	0.4
106.27688	0.4
107.08572	0.9
111.04482	0.5
119.08596	0.9
124.11253	1.6
128.10728	0.6
165.51413	0.4
202.23105	0.4
302.95831	0.6
334.23709	1.8
334.27365	0.9
352.24802	39.3
352.28366	2.6
353.25055	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	352.2844
Annotation	Melophlin R
Peak:m/z	Relative Intensity
52.52773	0.6
55.01855	0.8
55.05500	0.8
55.51773	0.5
56.05033	2.2
57.03429	1.4
58.06600	100.0
59.06952	0.9
67.05505	6.9
69.07075	0.9
69.54257	2.9
70.06596	1.3
71.04993	0.9
72.08154	2.7
72.81128	0.5
74.13718	0.5
79.05496	5.2
81.07061	4.8
82.06628	0.8
83.08636	0.7
84.08126	0.5
88.97112	0.5
90.02105	0.6
91.05499	3.3
93.07048	5.3
94.06583	0.8
95.04933	0.6
95.07356	0.9
95.08614	3.4
97.06538	1.1
99.45058	0.5
103.09188	0.6
105.04585	0.7
105.07049	2.1
107.08597	2.8
108.08120	1.6
109.10145	1.2
110.09679	9.1
117.07013	0.8
119.08581	0.7
120.48862	0.5
121.10128	0.7
131.08578	1.0
138.48157	0.5
145.10106	0.6
170.71156	0.8
174.52130	0.6
248.50826	0.5
316.26266	5.1
334.27380	30.3
335.27670	2.2
352.24020	1.1
352.28412	21.2
353.28647	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	352.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01872	1.1
55.05511	1.6
56.05048	2.4
57.03430	0.8
58.06602	100.0
59.06932	0.6
61.35148	0.4
63.98157	0.4
65.03954	0.5
67.05508	7.6
69.07072	1.7
69.13914	3.4
70.06583	1.4
71.05005	1.9
72.08154	2.9
79.05496	5.2
80.05807	0.5
81.07056	5.7
82.06584	1.0
83.04986	0.9
84.08186	1.1
91.05482	3.6
93.07051	5.8
94.07395	0.5
95.07323	0.7
95.08611	4.2
97.06541	1.7
99.04463	0.6
105.07038	1.9
106.07475	0.4
107.08601	2.8
108.08128	1.6
109.06521	0.7
109.10165	1.2
110.09680	7.6
111.04433	0.5
111.08067	0.5
117.07054	0.5
119.08616	1.0
120.08940	0.5
121.10175	1.3
125.06007	0.5
125.09670	0.5
126.12810	0.5
128.10727	1.4
131.08601	1.2
131.82179	0.5
133.10146	1.2
135.08107	0.5
135.11693	0.8
136.12216	0.5
137.05934	2.6
138.06360	1.7
139.38860	0.4
145.10139	1.0
147.11667	0.6
148.02597	0.5
149.13255	1.0
159.11729	0.5
203.88617	0.5
204.20842	0.4
278.18515	1.7
316.26270	4.3
334.27383	24.1
335.27789	2.7
352.21841	0.8
352.28436	25.6
352.31842	1.5
353.23013	4.1
353.28717	3.2
371.47131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3211
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
54.92534	2.5
55.05492	4.9
56.05840	2.6
58.06604	4.7
58.13583	2.4
67.05497	16.1
69.07072	4.3
69.94709	9.0
70.06590	4.3
72.08162	22.1
79.05494	9.3
80.94875	3.4
81.07061	10.5
84.08146	3.5
85.08918	3.8
91.05497	6.5
93.07034	9.3
95.08598	6.0
98.09708	10.8
98.23270	2.9
105.07032	3.3
107.08614	4.9
136.65909	2.4
136.94780	3.0
171.89142	2.5
177.84196	2.7
211.11493	2.6
305.03885	3.1
316.30002	7.3
334.20993	4.1
334.30988	32.7
352.21780	5.3
352.27908	5.1
352.32108	100.0
353.23029	17.5
353.32428	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	352.3209
Annotation	N-cis-11,14-eicosadienoyl ethanolamine
Peak:m/z	Relative Intensity
53.03911	0.6
55.01843	0.7
55.05508	4.4
55.67614	0.2
57.03393	2.3
58.06551	3.9
65.03890	0.9
67.05505	14.7
67.05836	0.7
69.07067	3.9
69.88943	1.2
70.06590	2.7
71.04949	0.5
71.07356	0.4
72.08154	20.1
73.08428	0.3
79.05491	6.5
81.07053	23.0
82.07345	0.7
83.04939	1.2
83.08612	1.7
83.67020	0.3
84.08143	4.3
85.06493	0.6
85.08923	5.6
85.78696	0.3
86.09647	1.0
90.34760	0.2
91.05489	2.2
93.07049	3.8
94.76766	0.4
95.04906	0.5
95.05730	0.3
95.08606	24.9
96.08892	0.8
97.06495	0.5
97.10111	1.2
98.09686	6.6
98.22736	0.4
99.10439	0.3
105.07034	1.5
107.08598	2.2
109.06397	0.3
109.10150	4.2
110.09647	0.3
111.08028	0.5
112.11179	1.0
113.09605	0.4
117.06956	0.4
119.08562	2.0
121.10114	1.5
123.08057	0.7
123.11609	0.5
124.11233	0.6
126.12770	0.5
131.08498	0.8
133.10085	1.8
135.11624	0.6
137.13130	0.3
140.14317	0.6
145.10092	0.7
147.11627	0.6
149.13228	0.8
151.11140	0.4
159.11630	0.4
161.13142	0.4
168.13736	0.3
173.13161	0.4
175.14804	0.4
177.16347	0.5
189.16177	0.6
271.24176	1.0
289.25244	0.8
334.31018	50.7
335.31381	4.2
352.32080	100.0
353.32440	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	353.0845
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96557	10.0
62.68756	1.9
69.76084	9.4
79.75072	2.4
85.02902	5.3
96.99276	2.0
98.22684	2.6
98.97586	3.0
100.99115	4.7
110.85294	2.1
110.97586	2.8
119.56581	2.1
127.03883	4.7
128.98634	4.6
129.94643	2.8
155.01854	2.1
172.97635	4.2
183.05032	3.2
190.98672	6.1
193.17720	2.3
208.99777	6.6
228.40468	2.5
232.99612	11.4
245.05128	7.1
251.00858	4.6
353.08469	100.0
354.08841	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87807	0.4
53.55654	0.4
56.96558	0.8
58.99854	0.4
62.23375	0.4
63.40524	0.3
69.26815	2.2
70.06582	0.5
73.22256	0.3
77.00900	2.2
84.08126	0.4
88.02467	0.5
91.05470	1.7
93.07060	1.0
95.01956	1.8
103.05470	5.6
110.07152	0.5
117.02741	0.4
118.06604	0.4
120.08106	100.0
121.08431	3.0
128.99101	0.8
131.04942	1.2
132.05850	0.3
136.07573	0.7
146.05969	0.6
147.00143	4.5
151.06023	1.0
160.06047	2.4
165.03889	0.4
175.04816	0.9
176.05484	0.5
178.07155	2.8
179.05542	0.8
180.08728	0.7
183.05020	0.4
188.05492	2.3
189.03973	0.4
193.05862	0.6
193.09772	0.4
194.06645	1.2
205.08223	0.9
206.06630	25.6
207.04985	1.2
207.06898	2.0
208.08147	0.6
215.06757	0.4
216.05365	0.6
216.07449	2.6
218.06503	0.5
221.05353	3.2
223.09320	0.6
224.07687	13.3
225.06017	1.1
225.07967	1.2
232.06924	0.7
234.08546	0.7
241.10274	1.3
242.08742	19.5
243.08835	1.9
248.06482	0.4
261.07199	1.5
262.07947	1.0
265.10269	0.5
279.08282	1.0
289.11829	2.8
290.10068	0.5
292.12006	0.4
294.06967	1.5
295.06870	0.5
307.12955	2.6
308.11115	0.5
310.12814	0.4
317.11258	1.6
325.13983	2.9
326.12341	1.5
335.12384	13.7
336.11124	1.4
336.12354	1.4
344.13464	0.4
353.08859	1.1
353.13446	17.7
354.13763	2.3
371.14511	32.8
372.14847	4.3
376.14954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.2
67.05489	0.5
69.07063	0.4
69.76786	0.6
69.77199	0.4
70.06585	0.5
72.08154	0.6
79.05473	0.4
80.57998	0.2
81.07036	1.0
86.09715	0.2
91.05486	0.3
93.07028	0.6
94.07333	0.2
95.04967	0.2
95.08588	0.8
97.06531	0.2
98.07687	0.2
105.07058	0.4
107.08601	0.5
109.06519	0.3
109.10149	0.3
119.08586	0.4
128.10727	0.6
131.08505	0.3
145.10106	0.6
157.19148	0.2
160.16135	0.2
161.13368	0.3
195.09953	0.2
196.93387	0.2
235.13069	0.5
265.13412	0.5
293.12659	0.2
335.21869	0.9
336.28873	0.2
347.99838	0.2
353.22964	100.0
354.23291	7.8
354.30124	0.5
354.34970	0.2
376.87405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86446	0.9
63.31768	0.9
67.99534	1.1
70.99007	1.2
70.99347	1.1
80.94867	1.9
81.07077	1.1
97.27900	1.0
126.11781	1.0
142.94913	1.0
170.35080	1.0
256.46768	1.3
267.79150	1.2
353.22964	100.0
354.23099	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	1.5
55.01885	1.6
55.05516	14.5
57.03431	5.5
57.07073	4.6
65.03937	3.8
67.05507	99.8
68.05819	2.2
69.07065	13.1
70.06600	1.3
70.44014	2.5
71.04996	1.8
71.08617	2.5
73.18906	1.1
75.04482	1.8
79.05497	41.5
80.05827	1.7
81.07058	100.0
82.07382	1.7
83.04990	2.5
83.08614	6.5
85.06548	2.1
86.05021	1.2
87.28726	1.3
91.05483	21.4
93.07047	53.4
94.07375	1.4
95.04969	2.6
95.08607	73.3
96.08952	2.5
97.06534	1.9
97.10177	3.3
99.08089	1.5
105.07037	15.0
107.08600	34.6
109.06520	3.1
109.10160	37.1
110.10517	1.5
111.08046	1.5
113.09636	1.8
117.07030	7.9
119.08584	13.9
121.10142	30.0
122.10542	1.5
123.08104	1.7
123.11711	23.0
131.08568	18.5
133.10133	12.2
135.11705	25.2
137.09602	1.7
137.13242	9.0
143.08548	1.4
145.10117	15.6
147.11682	12.1
149.13264	20.2
151.14737	2.5
153.12723	2.1
159.11674	11.8
161.13297	8.2
163.14833	12.2
165.12781	2.2
173.13277	16.3
175.14845	2.9
177.16409	4.5
179.14412	1.3
187.14838	11.3
201.16423	1.9
205.15889	1.6
215.18109	1.5
225.66887	1.2
233.22614	4.0
238.79025	1.5
243.21083	15.9
261.22137	84.9
262.22321	6.7
279.23123	5.1
317.24609	1.5
335.25803	7.5
353.26819	23.0
354.27182	1.7
354.33640	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05515	12.2
55.58846	1.4
56.02118	1.3
57.03433	5.2
57.07068	5.1
60.65554	1.4
65.03928	2.5
67.05507	91.1
69.07062	13.2
69.07598	11.2
71.04985	3.2
71.08633	12.0
79.05496	44.7
81.07058	82.3
82.07387	2.9
83.08629	8.8
85.06542	3.2
85.10201	1.8
85.95959	1.4
91.05482	23.8
93.07048	59.4
94.07365	1.8
95.04939	1.9
95.08609	62.0
96.08936	1.8
97.06512	3.8
97.10182	2.9
99.08107	9.6
105.07032	17.0
107.08599	40.1
109.06547	1.5
109.10152	35.0
110.10500	1.5
113.09623	2.7
117.07005	8.7
119.08590	12.4
121.10146	27.8
123.08019	2.3
123.11710	18.8
131.08588	17.2
133.10135	16.9
135.11690	27.0
137.13228	6.4
145.10162	15.2
147.11670	12.8
149.13268	19.6
151.14723	2.1
153.12767	2.7
159.11691	13.3
159.24991	1.3
161.13226	8.2
163.14844	13.2
165.12761	5.0
173.13261	13.9
174.13640	1.2
175.14838	3.3
177.16409	5.3
187.14793	9.4
191.14287	2.0
201.16429	3.1
233.22681	3.5
243.21140	19.4
244.21510	2.1
261.22144	100.0
262.22522	9.4
279.23096	6.9
291.23181	7.5
301.11505	1.3
309.24188	1.8
335.25797	4.9
336.28879	4.7
353.26849	34.3
354.27228	4.3
354.33722	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03959	1.5
54.03304	0.8
54.88609	0.7
55.01871	1.2
55.05518	14.2
57.03445	5.5
57.07080	3.4
65.03944	3.0
67.05511	96.4
68.05850	1.6
69.07075	12.9
71.04998	1.8
71.08636	3.1
74.83083	0.8
75.04467	1.2
75.97765	0.8
76.36333	0.7
77.03904	0.8
79.05502	43.5
80.05866	1.0
81.07065	100.0
82.07410	2.7
83.04995	1.4
83.08636	7.8
85.06532	2.1
91.05491	19.3
92.05820	1.0
93.07056	53.1
94.07391	1.1
95.04975	2.4
95.08616	78.8
96.08960	2.4
97.06548	3.2
97.10182	4.3
99.08114	2.3
100.57264	0.6
105.04533	0.7
105.07037	16.1
107.08607	35.0
108.08969	1.4
109.06556	1.1
109.10167	38.1
110.10489	1.2
111.08101	2.1
111.98766	0.8
113.09702	1.1
117.07042	8.7
119.08592	13.6
121.10160	30.6
122.10530	1.3
123.08114	1.6
123.11720	21.9
125.09648	1.5
131.07588	1.0
131.08580	20.6
133.10141	13.6
135.10667	1.3
135.11703	26.1
136.12057	1.4
137.09645	1.6
137.13257	7.4
139.11200	1.3
145.10143	13.9
147.11711	10.4
149.13277	17.5
150.13614	1.0
151.14850	3.0
153.12836	1.0
159.11705	12.2
161.13242	7.0
163.14836	11.6
165.12854	1.6
165.16356	0.8
173.13284	16.0
174.13724	1.2
175.14859	2.2
177.12846	1.7
177.16423	3.4
187.14847	10.1
201.16406	2.7
205.15909	1.4
215.18039	1.5
223.16925	1.0
233.19165	0.9
233.22725	3.7
243.21104	19.8
244.21588	1.6
253.22453	0.7
261.22165	82.2
262.22458	6.4
263.23636	1.0
279.23120	6.4
317.24820	1.7
335.25937	8.3
353.20145	1.4
353.26852	21.3
354.27084	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05509	11.8
57.03431	4.0
57.07074	6.2
58.13052	1.0
65.03946	4.2
67.05508	89.0
68.05840	2.3
69.07065	11.6
71.04988	2.5
71.29019	1.3
75.04488	1.9
79.05495	45.0
81.07059	100.0
82.07420	3.2
83.04996	1.3
83.08619	7.9
85.06544	3.1
91.05481	24.4
93.07047	65.2
94.07394	1.4
95.04987	2.0
95.08607	68.6
96.08939	1.6
97.06539	4.2
97.10175	3.2
99.08091	1.5
103.32458	0.9
105.07030	18.3
107.08597	42.6
108.08945	1.4
109.06587	1.0
109.10163	33.4
111.08102	2.0
113.09660	1.3
115.05477	1.0
117.07008	12.0
119.08589	15.9
121.10143	31.8
122.10477	1.0
123.08152	1.0
123.11713	20.9
124.12029	1.1
129.07065	1.1
131.08569	24.1
131.09497	1.7
133.10120	16.4
135.11696	31.0
136.12036	1.3
137.09618	1.3
137.13268	6.2
139.11214	1.2
145.10129	16.7
147.11691	9.5
149.13246	17.4
151.14857	2.8
159.11714	15.7
161.13251	10.1
163.11104	1.0
163.14816	12.3
165.12799	1.4
173.13275	19.2
175.14894	2.2
177.12830	1.1
177.16364	4.6
187.14851	10.2
191.14378	1.3
201.16428	3.8
205.15799	1.1
215.17934	1.5
233.22636	2.9
238.32509	1.0
243.21098	21.5
244.21323	1.1
252.79050	1.0
258.18002	1.0
261.22147	96.1
262.22595	5.6
267.52878	0.9
279.23245	2.1
313.13586	1.0
335.25833	4.6
353.26837	19.0
354.27167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	3.8
54.90219	2.4
54.99351	1.9
55.05515	14.1
57.03425	5.1
57.07074	6.4
67.05506	80.1
67.13313	2.4
68.05824	2.4
69.07070	13.8
71.05015	3.5
71.08630	3.6
71.30342	3.8
71.30700	2.5
72.08157	4.0
79.05489	42.1
81.07057	94.9
82.07380	2.9
83.05011	2.6
83.08618	9.8
85.06553	2.3
91.05483	22.6
93.07047	55.3
95.04974	4.1
95.08607	72.6
96.08942	2.5
97.06535	4.1
97.10163	5.1
99.08107	2.2
105.07051	15.4
107.07912	1.6
107.08591	37.8
108.97513	2.3
109.10156	43.3
114.09151	3.1
117.07014	9.2
119.08590	11.2
121.06484	2.4
121.10143	30.9
123.11717	23.8
131.08572	15.6
133.10164	11.1
135.11696	25.2
137.13258	9.9
143.77419	2.2
145.10123	16.9
147.11693	12.5
149.09636	2.5
149.13264	20.1
159.11694	15.7
161.13280	6.1
163.14793	12.5
173.13275	16.6
177.16426	5.6
187.14825	8.3
201.16325	3.1
205.15857	2.7
233.22690	4.1
243.21059	20.2
261.22134	100.0
262.22458	9.4
279.23132	7.6
335.25876	10.0
353.26752	28.3
354.33609	5.5
354.37497	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01863	3.0
55.05518	18.2
57.03442	3.2
57.07084	4.9
67.05502	94.7
69.07066	20.9
71.08611	6.4
71.31192	2.7
71.31725	4.1
71.34032	3.3
72.08151	6.3
79.05488	47.1
81.07055	92.9
82.07388	4.5
83.08624	10.6
85.06545	4.0
85.10143	3.9
91.05480	27.7
93.07038	65.1
95.04987	5.1
95.08604	66.1
97.06508	4.7
97.10172	6.6
99.08131	3.5
105.07009	21.8
107.08583	48.8
109.06530	3.7
109.10159	36.5
117.07034	7.0
119.08570	16.4
121.10149	36.9
123.11711	22.0
131.08577	16.9
133.10129	18.4
134.68835	2.9
135.11699	32.3
137.13261	5.7
145.10139	17.4
147.11678	11.5
149.13251	18.6
159.11708	16.6
161.13306	8.4
163.14812	11.4
171.11696	4.4
173.13264	17.1
175.14737	3.4
187.14813	10.6
233.22505	5.1
243.21149	16.8
261.22134	100.0
262.22626	5.6
335.25964	5.4
353.24448	16.5
353.27612	10.4
354.33755	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	353.2687
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.05513	28.1
57.07080	15.6
67.05507	47.5
69.03401	5.9
69.07072	34.0
71.04987	3.8
71.08630	30.6
72.08158	16.6
79.05486	23.4
81.07056	63.3
83.04971	3.6
83.08622	13.5
85.06524	3.4
86.66966	2.6
91.05479	22.5
93.07044	33.8
95.04969	12.7
95.08614	50.7
96.08122	3.4
97.06519	10.1
97.10154	5.0
98.22621	11.9
99.08101	27.0
105.07031	23.8
107.08594	25.3
109.06519	34.9
109.10150	20.4
114.09149	7.9
117.07032	3.1
119.08573	13.2
121.06525	7.7
121.10148	19.6
123.11718	8.0
131.08537	9.8
133.10120	10.6
135.08061	9.6
135.11697	6.5
135.89272	3.0
139.11168	5.9
141.12720	3.7
145.10146	10.5
147.11707	5.5
149.09653	4.1
149.13272	4.0
151.54697	2.8
157.10121	3.5
159.11674	4.1
161.13243	8.4
163.11185	3.8
165.12767	61.6
173.13374	3.3
175.14783	5.4
177.12654	6.4
186.67935	3.1
187.14900	4.9
189.16409	3.4
197.27409	3.2
209.19017	13.2
211.14697	3.1
261.22153	7.7
279.19589	6.8
279.26852	5.0
289.25314	28.2
307.26477	4.4
317.24725	80.1
318.24960	6.3
335.21756	5.1
335.25815	100.0
336.26074	12.3
336.32706	3.8
353.29056	4.4
353.35989	5.3
354.33524	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	3.1
55.01876	3.2
55.05508	31.2
57.03441	14.5
57.07065	10.4
58.06581	2.4
65.03896	1.8
67.05503	85.4
69.07067	32.3
70.56127	3.7
70.64748	1.9
71.04984	6.5
71.08627	48.2
72.08137	4.4
79.05145	1.1
79.05487	44.7
81.07055	100.0
83.04980	3.1
83.08610	20.0
85.06545	5.4
91.05473	22.0
93.07036	50.3
94.07360	2.4
95.08600	77.7
96.08048	2.0
96.08943	2.1
97.06541	7.3
97.10175	11.7
99.08096	47.2
105.07027	19.9
107.08585	35.7
109.06544	2.1
109.10152	36.3
111.08084	3.9
113.09646	2.4
114.09139	2.2
117.07014	5.7
119.08575	16.0
121.10124	24.9
123.08029	3.7
123.11679	14.3
125.09628	4.9
127.11185	4.3
131.08551	14.6
133.10139	7.4
135.08031	1.9
135.11691	21.6
137.09613	2.2
137.13243	8.0
144.92947	1.8
145.10123	11.3
147.11685	30.5
149.09583	2.2
149.13263	12.6
151.11127	1.7
151.14815	3.1
153.12735	5.9
159.11720	7.5
161.13274	6.9
163.11157	3.0
163.14822	15.3
165.12723	8.8
173.13289	11.6
177.12666	2.8
177.16321	2.7
181.15800	5.8
187.14868	8.3
201.16354	2.0
233.22691	4.4
243.21065	17.7
251.23695	2.4
261.22147	38.4
262.22375	4.0
267.21918	1.9
279.23230	25.5
280.23392	3.3
280.59116	1.8
313.53244	1.7
335.25851	2.6
335.34903	5.2
336.32626	10.0
353.26816	45.7
353.36060	23.3
354.26758	4.3
354.33530	21.6
375.02347	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.05510	17.7
57.03425	5.0
57.07067	6.3
58.06593	4.9
65.03936	1.9
67.05505	74.7
68.05833	1.5
69.07069	17.6
69.18398	1.2
70.06582	2.4
70.57242	3.8
71.04993	3.3
71.08599	2.4
72.08154	22.8
75.04463	1.4
79.05491	39.3
80.05820	2.4
81.07055	87.4
82.07396	2.9
82.82751	1.3
83.08619	9.9
84.08130	4.2
85.06554	2.6
85.08916	5.5
86.09724	1.2
87.14457	1.6
91.05464	18.9
93.07041	49.3
94.07371	2.0
95.04971	4.1
95.08604	73.7
96.08923	2.5
97.06525	3.9
97.10174	6.6
98.09698	6.3
99.08089	3.2
105.04569	1.5
105.07027	17.2
107.08586	27.5
107.77901	1.3
109.06496	1.8
109.10150	26.6
111.08061	2.2
112.11269	1.6
113.09640	1.9
117.06996	8.0
119.05245	1.5
119.08574	11.0
121.10135	27.9
123.11693	13.3
131.08568	14.0
133.10127	9.0
135.11690	19.3
137.13234	6.0
145.10114	12.5
147.11694	8.0
149.13269	14.9
151.14851	1.9
159.11696	10.9
160.12082	1.2
161.13235	7.6
163.14801	11.5
165.12737	1.4
173.13261	11.8
175.14835	4.4
176.15135	1.5
177.16377	5.1
187.14836	7.3
188.73657	1.6
189.16403	1.5
191.14240	1.6
201.16402	2.2
205.15891	1.6
217.54266	1.4
233.22624	5.8
234.22806	1.4
243.21086	15.6
245.47163	1.3
261.22137	60.1
262.22528	4.3
279.23193	1.4
291.26828	2.0
335.25742	4.8
335.31357	10.5
336.26425	2.2
336.32581	48.8
353.26871	10.2
353.32401	20.6
354.33646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	4.1
55.05511	15.2
57.03447	4.6
57.07087	6.2
65.03957	3.2
66.89281	1.8
67.05508	92.4
69.07069	16.0
69.36335	5.1
69.36742	5.8
71.08636	4.4
79.05498	54.6
81.07062	100.0
82.07404	3.0
83.08625	8.0
85.06553	2.6
85.10210	1.9
85.39677	2.0
86.13348	1.7
91.05492	28.1
93.07050	72.7
95.04982	4.0
95.08612	67.3
97.06550	5.2
99.08115	5.3
105.07035	24.3
107.08600	42.6
109.10169	29.9
111.08128	2.0
117.07051	10.5
119.08583	17.0
121.10154	34.1
123.11718	15.6
131.08575	24.5
133.10136	11.4
135.11711	23.8
137.13307	9.4
145.10141	18.1
147.11662	10.3
149.13272	25.0
151.14868	5.0
153.12802	2.3
159.11734	13.4
161.13275	8.9
163.14824	21.9
173.13278	18.3
175.14812	4.2
177.16376	5.0
187.14822	11.7
190.72418	2.0
201.16411	3.0
217.36398	1.9
233.22618	6.2
243.21129	30.2
244.21461	2.4
261.22159	80.1
262.22491	8.3
279.22940	2.4
305.82416	2.0
335.25897	5.3
353.26685	4.9
354.33670	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	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01890	2.3
55.05510	16.8
57.03427	5.2
57.07068	8.4
59.36232	1.7
62.81421	1.7
62.81835	1.9
65.03963	2.9
67.05508	100.0
68.05826	2.9
69.07081	17.0
69.36052	12.0
70.06571	5.7
71.08632	6.2
78.23128	1.7
79.05500	65.5
81.07059	98.9
82.07396	3.1
83.08615	8.2
85.06534	4.6
88.07636	10.8
91.05483	30.5
93.07048	75.4
93.07633	4.0
94.07410	3.2
95.04958	3.5
95.08611	75.0
96.08922	3.0
97.06544	2.6
97.10189	2.9
99.08094	8.3
102.09222	2.6
105.04523	2.0
105.07049	26.2
106.08662	6.0
107.08598	52.8
108.08943	2.3
109.06525	3.4
109.10150	26.6
113.09660	4.3
117.07009	14.6
119.08594	15.3
121.10149	35.3
123.08070	2.4
123.11686	12.0
131.08569	25.6
133.10165	11.5
135.11688	29.0
136.12068	3.7
137.13226	10.3
145.10150	18.5
147.11646	11.0
149.13264	26.8
153.12759	2.3
159.11696	14.9
161.13216	11.6
163.11256	2.6
163.14836	21.9
165.16479	2.4
173.13275	20.2
175.14856	3.8
177.12721	2.8
177.16339	4.6
179.14296	3.5
183.67603	2.3
187.14818	10.7
191.14282	3.1
201.16374	2.9
233.19141	1.9
233.22624	7.1
243.21091	34.7
244.21506	2.6
261.22153	74.4
262.22501	8.0
335.25824	6.8
336.32516	2.4
353.26636	7.1
354.33652	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02351	1.9
53.03939	7.0
55.05511	24.2
55.66632	1.8
57.03431	6.8
57.07074	13.7
62.00494	1.8
65.03928	4.2
67.05507	98.4
68.05824	2.7
69.02356	12.3
69.02778	5.8
69.07064	22.3
71.08617	5.7
79.05492	63.4
80.94872	3.0
81.07057	100.0
82.88912	1.9
82.94566	2.3
83.04970	1.8
83.08616	12.2
85.06524	2.7
85.10188	11.0
91.05482	32.1
93.07047	84.1
94.07367	3.2
95.04962	3.1
95.08608	77.2
96.08933	3.6
97.06519	5.5
97.10151	5.3
99.08101	6.7
103.81796	1.9
105.07027	23.7
107.08598	54.0
109.06522	4.0
109.10152	33.4
111.08071	3.5
113.09660	19.1
117.07029	11.3
119.08590	12.4
121.10143	43.5
123.11708	16.2
131.08566	28.1
133.10143	18.2
135.11694	34.0
136.12056	2.4
137.09627	2.6
137.13257	9.4
139.11137	2.5
145.10126	18.2
147.11685	14.9
149.09633	3.6
149.13271	29.1
151.11188	2.7
151.14813	5.3
153.12767	5.4
159.11697	14.9
161.13297	12.7
163.11157	3.3
163.14827	24.7
167.14299	4.0
173.13264	15.9
175.14735	4.8
177.16354	10.2
187.14772	11.0
201.16367	4.0
205.15848	1.9
219.45125	2.1
233.22675	7.9
243.21089	38.3
244.21452	2.8
261.22153	80.3
262.22461	6.0
279.23105	9.6
335.25708	5.0
353.23026	3.5
353.26843	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60329	20.0
69.43460	100.0
108.03783	20.5
117.10632	19.5
138.05527	64.6
139.65581	19.5
156.07646	21.6
192.00487	42.8
312.98453	21.0
348.64511	24.8
354.05600	47.7
354.64667	23.7
355.06244	40.9
359.93588	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	354.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
67.05515	2.3
69.06511	6.3
69.06919	12.9
70.06586	6.7
72.02982	1.9
79.05488	2.6
84.08144	1.9
86.09701	4.9
91.05439	9.8
93.07061	2.1
94.06577	9.3
94.07113	2.1
95.04980	4.0
98.22625	3.7
99.79557	2.0
102.04705	7.4
103.05479	9.1
105.07039	6.7
106.06558	3.2
107.08547	2.0
110.07187	2.2
115.05530	3.5
118.06599	2.6
119.04938	6.1
122.03629	3.7
122.06029	11.7
122.55695	2.4
124.07583	8.3
130.04161	6.3
130.06537	100.0
131.04945	4.9
131.06819	2.8
132.08089	6.0
133.06451	4.8
134.06009	44.0
134.06967	3.6
136.07584	14.3
137.05981	39.3
140.07016	4.6
140.64197	2.0
146.05983	5.7
147.04420	9.5
149.06021	3.3
149.07146	5.6
150.05508	98.2
151.05841	2.9
152.05833	4.4
152.07071	85.9
154.08607	4.3
157.07649	4.9
158.08391	5.3
159.09200	15.2
161.05968	13.5
161.07156	6.3
162.03200	2.3
162.06772	17.2
162.07889	3.9
163.08681	45.3
169.07645	4.9
175.03937	4.5
175.07510	2.5
177.05417	2.4
178.06374	2.5
178.07901	2.6
180.07971	3.1
181.09723	10.5
186.03159	5.1
188.07129	3.5
189.06860	5.6
190.07970	2.0
191.08501	2.2
193.04906	2.5
193.09679	2.4
199.04012	2.2
201.05467	27.1
203.07043	7.3
205.06477	3.1
205.09865	2.8
206.07307	2.6
207.07916	13.5
210.36018	1.8
210.99603	2.6
213.05588	3.3
217.06393	5.3
219.07799	4.6
225.08707	43.3
231.06555	8.4
233.05908	2.5
234.06783	9.9
235.07613	3.7
237.08813	3.4
245.05850	3.2
247.07568	2.6
249.10339	22.1
253.79404	2.7
262.06302	7.6
263.07224	4.7
263.11758	10.9
265.08661	3.2
267.11343	11.6
275.11713	26.2
277.08591	15.8
279.06708	5.0
279.11169	7.4
280.07455	2.5
280.12027	5.2
281.12851	51.7
282.13254	6.5
287.06519	2.2
290.05957	2.3
292.14474	22.3
293.07953	2.5
293.12738	21.0
295.09756	5.0
305.08099	11.3
306.08691	2.0
309.11234	7.2
310.15479	31.9
311.16061	3.6
322.08209	4.3
323.09161	47.8
325.10675	2.6
337.10629	21.9
354.14371	24.1
354.22427	19.3
355.08008	3.1
355.11304	12.5
355.15558	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01876	0.7
55.05510	2.1
56.05029	0.8
57.03431	0.4
58.06592	1.1
65.03938	0.4
67.05508	3.4
69.07049	0.5
69.09214	1.9
69.09639	1.2
70.06604	1.6
71.04971	0.4
72.08157	5.3
79.05484	2.9
81.03415	1.0
81.07049	2.8
83.04985	3.3
83.08604	0.5
84.08154	2.4
85.02889	1.0
85.06523	0.5
85.08911	0.6
86.09707	1.1
91.05481	1.7
93.07053	2.3
95.04967	100.0
95.08590	1.9
96.05299	2.4
96.08152	0.9
97.06499	0.6
98.09702	0.9
98.23327	0.8
100.11262	1.4
102.09182	11.1
105.07019	1.0
107.04955	1.0
107.07352	0.4
107.08590	1.6
109.06540	0.7
109.08999	0.3
109.10141	0.9
110.07175	1.1
110.09687	0.4
111.04432	5.4
112.07553	0.4
112.11308	0.8
114.09182	0.3
117.07052	0.5
119.08557	1.5
121.06503	0.8
121.10126	2.8
122.08818	0.5
122.09666	4.1
123.08023	0.4
123.10455	0.6
128.10750	0.9
131.08551	0.4
133.06480	1.0
133.10147	0.5
135.08054	0.6
135.11682	0.4
136.11217	0.5
139.07552	0.7
140.10680	2.1
145.10153	0.6
147.07950	0.4
147.11717	0.5
149.09605	0.6
151.07559	0.6
156.10237	0.5
159.11658	0.7
163.11200	0.8
173.13310	0.4
177.12715	0.4
181.12361	0.4
182.15421	0.5
209.15262	2.9
210.14937	0.8
273.18500	2.7
291.19559	1.7
318.24249	5.0
336.25308	28.6
336.28818	1.7
337.25549	2.1
351.43732	0.3
354.26364	29.7
354.29999	2.0
354.76740	0.4
355.16821	0.6
355.26752	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27842	0.6
53.15370	0.7
55.05514	3.7
56.05034	5.9
57.03451	1.3
57.05813	1.0
57.07085	0.8
58.06602	97.5
59.06948	1.5
65.03927	1.0
67.05508	15.1
69.07082	1.9
70.06595	4.4
70.55776	1.8
71.08642	1.6
72.08158	10.1
73.08535	0.7
75.43199	0.6
79.05497	10.4
81.07059	12.1
82.06583	1.3
84.08151	4.2
88.07632	2.0
89.10877	0.7
91.05479	8.0
93.07049	8.4
95.04975	1.2
95.08608	8.1
96.08147	2.8
96.48194	0.7
97.06523	1.0
97.08944	1.0
98.09721	1.2
99.08079	1.3
100.07634	0.7
105.07045	3.9
107.08585	4.9
108.08157	1.3
109.06553	0.9
109.10165	3.0
110.09702	1.7
110.89271	0.7
117.07020	1.8
119.08592	3.2
121.10159	2.8
123.08094	0.8
131.08585	1.9
133.10162	2.5
135.11745	0.9
145.10129	2.8
147.11671	1.4
157.10175	0.7
159.11801	1.6
162.08298	0.7
163.92537	1.0
171.11661	0.8
300.26834	3.3
318.27881	7.0
336.28940	46.6
337.29156	3.2
354.30026	100.0
355.30307	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51599	0.4
55.05517	3.0
56.05032	1.8
57.03432	1.9
57.07060	0.7
58.06602	4.8
59.02629	0.5
61.89771	0.4
67.05504	3.8
69.07061	1.3
69.47144	1.3
69.47577	1.6
70.06593	3.0
71.04997	2.8
71.07378	1.0
72.08162	3.1
77.94456	0.4
79.05499	2.3
79.90986	0.5
80.94872	0.6
81.07059	3.5
82.06577	1.0
83.04999	0.8
83.08607	0.7
84.08144	13.8
88.07659	0.8
91.05453	1.1
93.07045	2.2
95.04956	0.4
95.08611	2.7
96.08142	1.6
97.08930	0.9
98.09726	1.1
98.23385	0.6
100.07668	0.7
100.11249	1.1
101.06065	0.5
105.07022	1.0
107.08619	1.0
109.10155	0.8
110.09707	1.6
111.10480	0.6
112.11227	1.3
123.08071	3.0
124.11246	0.5
128.10764	0.9
137.09688	0.5
166.15971	0.5
180.17366	0.7
182.15486	1.0
187.04826	0.5
189.70912	0.6
194.19066	0.8
210.14912	2.0
246.30589	0.6
248.23735	0.4
264.23273	3.8
265.23654	0.5
275.81134	0.5
282.24377	1.0
290.28488	1.2
297.07675	0.5
310.25549	0.6
318.27881	5.1
336.28973	20.3
337.29315	1.1
354.30026	100.0
355.30377	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	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95393	0.5
55.05506	2.1
56.05038	1.0
58.06604	3.7
67.05499	3.0
69.07062	1.0
70.06592	5.0
71.05003	0.9
71.28500	0.9
72.08163	2.6
76.09562	0.6
78.59015	0.6
79.05506	2.7
81.07060	5.3
83.08629	1.0
84.08146	7.7
86.09696	0.9
88.07640	1.5
91.05493	0.9
93.07043	2.5
95.08624	3.0
96.08135	2.5
97.02865	0.7
98.09682	1.8
100.11219	0.7
105.04355	0.6
105.07027	1.0
107.08622	0.7
110.09695	3.3
111.10449	1.2
112.11254	2.6
120.19275	0.5
123.08093	0.9
124.11214	1.4
124.46689	0.6
182.15370	0.6
183.08716	0.5
194.19055	1.4
206.61266	0.7
210.14888	0.8
236.20074	1.6
264.23224	5.7
290.28445	1.5
318.27893	5.7
336.28940	30.0
337.29260	2.0
354.30005	100.0
355.30359	8.3
371.71548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05515	19.2
56.05043	4.2
57.05816	3.3
57.07080	19.1
58.02952	3.2
58.06603	23.4
60.04528	5.7
61.47776	1.7
67.05515	12.2
69.07074	26.5
69.43398	11.7
70.02951	6.5
70.06599	12.6
71.08632	10.0
72.04520	4.0
79.05481	4.4
81.07063	26.7
83.08624	16.7
84.08144	9.6
85.10186	5.5
86.06062	5.8
87.06837	3.0
87.86108	1.7
91.05797	1.8
93.07063	4.7
95.08607	18.4
97.06542	2.6
97.10193	10.3
102.49603	2.0
107.08570	3.3
109.10165	11.1
111.11724	6.2
119.03098	1.8
121.10100	2.6
123.11685	4.6
146.15923	2.0
223.30963	2.0
294.31644	3.6
306.31631	4.6
307.29822	3.4
308.33133	4.4
326.33911	3.2
336.32602	17.7
337.31168	2.1
354.33664	100.0
355.34027	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
52.83097	0.4
53.03939	0.9
55.01867	0.7
55.05267	0.6
55.05513	6.0
56.05043	0.5
57.03436	3.5
57.07074	1.0
58.06602	4.6
59.05003	0.7
67.05506	8.6
69.07074	7.3
69.55265	2.2
70.06586	2.7
71.04980	0.5
71.07379	0.4
71.08634	0.6
72.04532	0.4
72.08155	22.7
79.05491	6.8
79.05920	0.7
81.07057	20.9
82.07397	0.9
83.04990	0.8
83.08614	4.2
84.08137	4.5
85.06516	0.4
85.08922	5.8
85.10183	0.4
85.54977	0.4
86.09692	1.1
91.05472	0.9
93.07043	3.6
95.08604	23.6
96.08126	0.4
96.08939	1.1
97.06524	1.6
97.10165	3.5
98.06812	0.4
98.09692	5.7
98.22617	0.5
103.07598	1.2
105.07000	1.1
107.08611	2.7
109.10134	1.9
110.09710	0.5
111.08120	0.7
111.11700	0.6
112.11242	1.0
113.16807	0.4
119.08577	1.2
121.10165	2.7
123.08031	0.8
123.11710	0.9
126.12814	0.6
133.10112	0.7
135.11716	1.6
140.14336	0.7
147.11687	0.5
149.13367	0.5
163.14793	0.5
177.16386	1.1
191.17873	0.4
195.17435	0.5
231.92722	0.5
232.49124	0.4
262.22470	1.3
273.25668	0.9
291.26730	3.0
316.09073	0.4
336.32590	47.9
337.32950	4.7
354.33652	100.0
355.33969	10.3
355.38052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.50292	0.3
53.03957	0.4
55.05514	4.5
56.05022	1.1
57.03446	2.7
57.07074	0.7
58.06602	9.0
65.03924	0.7
67.05505	14.8
69.06688	0.4
69.07066	6.6
70.06592	2.4
71.07370	0.9
71.29829	0.8
72.08155	22.2
73.08488	0.4
79.05494	5.8
81.07060	13.1
83.08620	1.5
84.08154	3.7
85.06532	1.0
85.08923	4.5
86.09695	2.2
91.05460	3.7
93.07043	5.1
95.04962	0.8
95.08608	9.7
96.08138	1.0
97.10155	1.1
98.09693	11.6
102.09185	1.2
105.07052	1.9
107.08614	3.1
109.10154	2.9
110.09682	1.2
111.04452	0.4
112.11237	1.9
119.08581	1.1
121.10185	2.0
123.11735	0.8
124.11234	0.8
133.10124	0.5
135.11667	1.1
138.12798	0.4
147.11684	0.5
149.13330	0.4
161.13269	0.4
168.17465	0.4
232.18867	0.4
318.31509	9.0
319.31793	0.7
336.29211	1.2
336.32587	38.2
337.32889	3.4
354.33658	100.0
355.18628	0.7
355.29694	0.4
355.33960	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90355	1.1
56.96565	3.6
60.05635	2.5
67.63957	1.0
70.06596	15.7
70.53682	2.1
70.54030	0.9
72.08168	1.3
73.04763	3.0
76.52419	1.0
79.10933	0.9
83.97626	1.4
84.08147	3.1
86.09708	3.0
91.05819	8.0
98.97594	5.2
101.00893	1.3
110.07179	4.4
116.07135	1.5
116.98665	2.6
119.01934	4.8
131.02029	1.1
134.99812	1.4
136.06201	1.3
136.07590	1.3
136.77020	0.9
141.03362	1.5
142.01726	1.2
143.01964	1.2
145.03493	1.2
156.07787	1.6
158.99933	4.7
161.02980	2.9
166.02899	1.2
168.04408	1.3
168.45525	1.3
169.02885	1.6
169.09627	1.4
170.06039	3.2
171.04460	2.9
174.97647	9.4
175.11949	3.4
175.97737	1.1
177.00952	30.7
178.01027	2.5
179.00685	2.2
182.99980	2.1
185.01421	1.7
187.10808	4.9
188.07130	1.4
189.05489	2.1
191.02547	2.4
192.98706	6.4
195.01828	1.2
196.91974	1.3
197.03040	2.3
198.98903	1.3
200.01059	1.1
200.02736	1.2
201.00935	7.6
203.02516	29.5
204.02617	3.0
216.98691	2.5
217.00664	5.1
217.04131	2.1
218.00577	4.0
218.03633	2.8
219.02014	100.0
219.17035	1.1
220.02148	7.7
221.01819	1.6
224.00778	2.2
229.00674	1.1
231.07657	2.1
232.05812	1.4
234.99855	3.1
236.99600	1.0
241.03696	1.9
242.01819	6.5
247.01605	2.8
257.03592	2.3
258.03610	1.2
259.05157	2.6
261.03256	4.8
263.02847	1.2
266.03146	2.1
268.05136	1.0
268.08807	3.6
268.97974	2.2
271.04559	4.5
272.00400	1.5
272.08044	1.1
277.01001	1.3
278.03076	3.7
283.01627	1.8
283.06976	1.9
284.08359	10.1
285.00430	1.9
285.03296	2.6
287.03387	1.0
289.05597	3.0
291.09573	2.1
295.05557	3.7
296.03909	5.2
296.08401	3.4
301.02368	3.0
304.11115	1.2
311.00961	4.4
313.05884	14.9
314.05222	17.2
314.09369	37.9
315.09409	4.0
324.61655	2.3
329.01880	7.4
330.02286	2.1
331.02249	1.7
331.08731	11.6
332.10483	69.0
333.06769	1.2
333.10345	4.9
337.06955	2.0
350.11450	4.9
355.07806	11.2
355.12045	4.5
373.01093	2.1
373.08868	15.8
374.09119	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97472	0.9
62.98238	0.5
63.37560	0.4
69.98946	1.0
69.99310	1.1
71.08669	0.5
77.96951	4.3
80.88406	0.4
81.08847	0.4
102.11582	0.5
103.98512	0.8
116.99256	2.7
145.02380	1.2
168.28667	0.5
196.68161	0.5
204.03711	0.5
205.53001	0.5
213.08665	1.3
227.10210	3.9
229.11835	3.4
257.11337	0.6
285.10727	3.2
292.23917	0.5
318.10550	1.6
337.17581	1.6
346.45642	0.5
355.18567	100.0
356.18875	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03962	1.6
55.01862	1.5
55.05516	40.3
57.03431	8.0
57.07080	12.7
65.03944	2.4
67.05511	77.3
69.07073	42.3
69.08296	5.6
69.08730	5.0
70.06605	8.4
71.05013	2.4
71.08646	6.1
75.04485	1.6
79.05496	29.6
81.07063	100.0
82.07406	2.4
83.04977	3.4
83.08624	32.1
85.05185	1.3
85.06561	4.3
85.32175	1.7
88.07619	8.7
91.05483	20.5
93.07054	31.6
94.07378	1.5
95.08616	83.9
96.08978	2.0
97.06544	10.1
97.10173	19.0
98.23373	2.9
99.08117	4.9
105.07030	16.0
106.08705	3.0
107.08605	19.0
109.10168	44.6
111.08095	5.4
111.11729	8.3
113.09641	2.2
119.08598	15.2
121.10147	27.4
122.10461	1.3
123.11710	21.4
125.09643	2.2
125.13287	2.5
127.11205	1.9
129.05521	1.6
133.10146	19.3
135.11691	13.5
136.12019	1.6
137.09601	1.6
137.13271	9.0
139.11159	2.5
141.12761	2.4
144.98576	1.7
147.11716	12.7
149.13272	11.3
151.11201	3.0
151.14888	6.6
160.90218	1.3
161.13266	12.5
163.14830	13.8
165.16449	6.1
167.14384	1.6
175.14842	10.8
177.16389	2.0
179.14311	2.7
179.18002	6.4
189.16444	4.2
193.15953	2.7
203.18129	1.7
245.22685	39.0
246.23041	1.8
263.23709	41.4
264.24149	3.0
275.49591	1.6
281.24756	2.1
335.92639	1.6
337.27402	25.9
338.27609	2.6
338.34479	1.7
350.72574	1.5
355.28439	6.7
355.33621	1.6
356.35233	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01860	2.1
55.05513	32.1
57.03442	10.8
57.07073	21.9
58.06596	2.4
59.97904	1.5
67.05508	69.1
69.07070	40.4
70.06583	4.0
70.09785	5.8
71.04997	3.4
71.08623	9.8
72.08150	8.6
79.05492	31.1
81.07059	100.0
83.04990	1.7
83.08624	27.3
84.08160	2.3
85.06528	3.0
85.10188	6.8
88.07635	4.7
91.05478	17.6
92.44498	1.9
93.07042	27.7
95.04979	2.6
95.08609	80.5
96.08917	2.1
97.06520	10.0
97.10184	18.5
99.08110	2.0
105.07024	12.0
106.08645	2.8
107.08599	23.2
109.10152	38.4
111.08057	5.7
111.11728	6.6
113.09631	4.2
119.08586	9.3
121.10143	27.5
123.11727	20.8
125.09612	2.2
125.13269	2.8
129.05475	3.1
133.10150	16.2
135.11699	15.1
137.13264	7.8
138.61414	1.7
139.11246	2.8
141.12714	2.9
146.23502	1.7
147.11667	9.9
149.13237	14.6
151.11290	2.7
151.14787	8.0
161.13234	12.8
163.14783	13.2
165.16400	5.7
175.14891	10.3
177.16339	2.7
179.14330	2.3
179.17941	4.1
189.16406	5.7
203.17896	2.5
207.17296	1.9
219.18164	1.8
245.22646	42.4
246.22911	2.3
263.23730	38.6
264.24112	3.0
265.25122	2.9
281.09528	1.7
293.28357	3.4
337.27374	20.0
338.34155	25.9
355.28754	3.9
355.33710	2.6
356.35236	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07298	2.0
53.03916	4.3
55.01855	2.8
55.05512	38.9
56.99440	1.7
57.03436	14.7
57.07085	13.7
58.06596	3.5
63.72470	1.8
65.03933	3.1
65.59361	2.0
66.73793	1.9
67.05506	76.4
68.05827	3.8
69.06739	3.4
69.07075	48.3
69.43600	3.2
69.44003	7.0
70.06612	2.5
70.07399	2.1
71.04995	3.1
71.08622	4.0
72.08149	10.7
79.05499	27.9
81.07058	100.0
82.07379	5.9
83.04987	4.4
83.08620	35.3
84.08115	2.0
85.06489	2.8
85.10152	3.0
88.07600	3.7
91.05478	18.2
93.07048	28.2
95.08608	86.6
96.08937	4.7
97.06530	7.9
97.10179	18.8
98.23254	2.6
99.08055	3.8
103.03961	2.4
105.07026	20.1
107.08601	22.1
109.10151	41.0
111.08085	4.4
111.11713	7.4
119.08572	17.2
121.10149	28.1
122.10514	2.2
123.11719	21.0
125.09627	2.2
126.62042	2.0
133.10120	20.8
135.11687	13.8
137.09633	2.3
137.13278	9.6
139.11134	3.1
147.11691	14.2
149.13246	15.9
151.11180	2.1
151.14880	9.7
161.13237	12.6
163.14806	9.1
165.16412	6.4
167.14273	2.6
175.14813	9.0
177.16376	3.0
178.16766	2.5
179.17975	4.1
181.15929	2.3
189.16397	6.3
193.15874	2.2
245.22636	44.2
246.23070	2.0
263.23715	40.3
264.24170	3.3
285.16431	2.3
325.19168	2.1
337.27411	21.8
337.32974	23.8
338.33984	5.8
355.24448	14.2
355.29065	3.4
355.33972	66.2
356.35062	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05517	27.2
57.03429	7.0
57.07069	13.4
66.11719	3.0
67.05513	73.6
69.07076	35.9
69.43018	16.8
71.08630	6.9
79.05491	28.6
81.07068	100.0
81.64063	3.1
82.07408	4.2
83.04984	3.1
83.08624	22.8
91.05478	18.3
93.07057	36.9
95.08617	84.2
96.08962	3.2
97.06537	11.8
97.10182	19.8
105.07023	12.7
107.08595	28.9
109.10178	41.9
111.11714	7.7
113.44380	2.8
119.08591	15.1
121.10149	33.4
123.11705	20.8
133.10155	14.8
134.44308	2.6
135.11726	21.9
137.13257	14.4
147.11685	11.4
149.13257	13.8
151.14886	6.0
153.12692	2.9
161.13252	15.2
163.14839	11.7
165.16376	8.8
175.14845	13.5
179.17966	3.9
189.16441	6.9
194.33138	3.5
196.69701	2.8
203.18088	2.9
245.22665	54.2
263.23749	47.7
325.99994	3.1
337.27377	27.5
355.28412	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	355.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40109	0.2
52.30124	0.2
53.03935	0.2
55.05510	2.0
56.05015	0.7
57.03437	3.9
57.07077	9.2
58.06600	7.0
59.06924	0.3
60.04511	0.5
62.98254	0.4
67.05183	0.4
67.05505	4.5
69.07070	2.1
70.06593	2.0
70.45103	0.5
70.45473	0.5
71.04980	0.6
71.07350	0.3
71.08632	5.2
72.08154	18.3
73.08469	0.5
74.06077	1.2
79.05492	2.7
81.07055	12.5
82.06521	0.2
83.04948	0.5
83.08205	0.3
83.08620	2.7
84.08134	3.2
85.06525	0.5
85.08931	2.0
85.10177	4.8
86.06063	0.3
86.09709	1.4
86.10497	0.3
88.07627	0.9
91.05465	0.7
93.07044	1.8
95.04971	4.9
95.08604	10.3
95.40182	0.2
95.60569	0.2
96.08134	0.5
96.08917	0.4
96.56615	0.3
97.06546	0.5
97.10146	1.1
98.09697	0.7
99.08116	0.3
100.07597	0.4
102.09164	0.5
105.07037	0.8
107.08554	1.1
108.08083	0.3
109.06454	0.3
109.10159	2.8
110.09696	0.8
111.08047	0.3
111.11687	0.3
112.11219	0.3
117.34036	0.3
119.08577	0.7
121.10152	1.0
124.11218	0.9
126.12770	0.3
131.08521	0.5
135.11690	0.6
142.06230	0.2
145.10120	0.6
147.11682	0.3
149.13283	0.4
151.14833	0.5
157.10063	0.5
161.13260	0.3
169.15858	5.1
170.16229	0.3
171.11716	0.3
183.11598	0.2
200.66362	0.2
211.14795	0.3
250.09517	0.3
257.26657	0.3
265.25238	1.7
274.27441	0.4
275.27759	3.0
279.23199	0.4
292.26611	0.3
295.16971	0.5
310.31030	45.8
311.31317	4.0
320.29272	0.3
328.32065	20.8
329.32358	1.9
337.32205	7.3
338.30704	0.9
355.24039	2.1
355.33188	100.0
356.27838	3.2
356.33347	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	355.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05515	7.3
56.05053	0.9
56.05846	1.0
57.03436	3.0
57.07067	2.4
58.06600	14.7
59.06950	0.6
67.05508	8.9
68.05844	1.7
69.07075	6.8
69.57204	2.3
69.57612	1.6
70.06583	2.9
70.07396	1.1
71.05003	1.0
71.08624	1.5
72.08154	40.4
73.04767	1.5
73.08491	3.7
74.06078	1.6
78.60575	0.6
79.05495	5.5
80.05817	2.3
81.07056	19.7
82.07373	5.2
82.12962	0.7
83.08604	3.7
84.08152	3.6
84.08958	1.3
85.06545	0.8
85.08457	1.2
85.08917	3.4
86.09254	1.1
86.09731	1.1
91.05385	1.3
91.05811	2.5
93.07045	4.6
94.07372	1.0
95.04974	7.2
95.08603	16.8
96.08306	0.8
96.08941	6.9
97.06527	1.8
97.10165	2.7
98.06888	0.7
98.09697	3.0
98.10468	0.9
99.10023	1.5
102.09205	1.0
103.35079	0.6
105.07038	1.8
107.05005	0.6
107.08584	2.0
108.08900	1.1
109.10149	2.8
110.09692	1.4
110.10467	1.3
112.32847	0.6
119.08570	1.0
120.08952	0.9
121.10143	2.3
122.10452	1.8
123.08021	0.9
133.10085	0.7
135.11705	0.9
136.11996	1.0
145.10162	0.8
157.10155	0.7
171.54582	0.6
177.16350	1.0
199.23257	0.7
268.97928	1.6
285.01053	1.3
292.27078	1.4
296.29337	1.0
310.30841	3.1
324.28912	2.6
328.32166	1.5
337.32916	44.7
338.30490	2.5
338.34088	3.4
355.07019	1.4
355.33929	100.0
356.31512	5.1
356.35403	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40070	0.2
56.05024	1.7
58.06602	100.0
59.06935	1.2
59.61255	0.3
69.16851	2.0
70.06588	0.6
72.08163	0.7
73.05306	1.0
79.05478	0.3
81.07092	0.6
84.08144	0.3
86.09700	0.4
88.07632	2.3
89.00748	0.3
95.04975	0.3
100.11287	0.3
109.52592	0.3
114.09169	0.5
118.08643	2.0
137.05998	0.6
144.10217	0.7
155.45514	0.3
183.52757	0.2
189.40115	0.2
227.03482	0.3
263.06860	0.3
278.08823	0.3
338.11093	0.8
338.23172	0.4
338.26782	0.6
356.12347	0.6
356.17310	0.7
356.24292	24.8
356.27719	1.1
357.24496	2.3
357.28159	0.3
377.50723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53127	0.3
53.03938	0.6
55.01870	1.2
55.05513	9.9
56.05038	2.4
57.03436	1.1
57.07066	1.6
58.06598	6.9
58.82261	0.3
59.04988	0.8
61.89721	0.3
65.03924	0.6
67.05506	16.1
69.03429	15.0
69.06724	0.6
69.07069	7.1
69.33534	0.8
69.33959	1.3
70.06577	1.7
71.05000	1.7
72.08154	41.2
73.08492	0.6
79.05494	6.7
80.94822	0.3
81.07055	16.9
82.07394	0.7
83.04951	1.6
83.08620	8.2
83.09113	0.5
84.08144	5.8
85.02916	0.8
85.06535	1.8
85.08912	1.8
85.86820	0.3
86.09699	1.0
87.06841	1.0
88.07600	0.7
91.05460	1.9
93.07043	8.2
94.07397	0.4
95.04989	1.7
95.08607	6.1
97.06535	2.8
97.10174	1.4
98.06865	0.3
99.04446	1.2
99.08098	0.7
100.07580	0.5
102.09177	96.0
103.08934	0.4
103.09497	1.9
105.07017	1.7
107.04958	2.7
107.08589	6.6
108.08968	0.5
109.06505	4.5
109.10146	2.5
110.09708	0.6
111.04436	9.8
111.08076	1.2
112.07567	0.3
113.06026	0.3
117.07031	0.5
119.08575	1.0
121.06522	0.9
121.10144	3.0
122.10475	0.3
123.08096	0.6
123.11720	0.7
124.11224	0.7
125.05986	4.1
127.07576	0.6
131.08527	1.0
133.06535	0.4
133.10124	1.2
135.04420	0.4
135.08029	0.8
135.11703	0.7
137.05951	2.3
138.09108	0.6
145.06477	0.4
145.10107	0.8
147.11731	0.7
149.13248	3.9
151.07524	0.7
153.05469	1.1
159.11667	0.5
161.13214	0.6
163.07523	3.1
163.14777	2.5
165.09265	0.4
167.14331	1.1
175.11191	0.6
177.12784	0.4
181.08615	0.4
193.12311	0.4
195.17258	0.3
227.40526	0.3
229.19505	0.5
242.15521	0.4
252.23343	0.3
257.19000	1.1
275.20062	2.8
293.20975	2.3
320.25610	0.6
320.29227	0.4
338.26892	4.4
338.30637	0.8
339.27081	0.4
356.27927	100.0
357.28152	8.8
357.32404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05516	1.2
56.05032	0.4
57.03443	3.7
58.06600	1.0
65.03942	0.6
67.05504	4.0
69.03433	0.5
69.07069	1.3
69.43822	2.7
70.06590	1.6
71.04997	0.9
72.08156	73.1
73.08491	0.9
79.05505	2.8
81.07052	4.6
83.04985	2.2
83.08610	0.6
84.08129	2.0
85.08923	0.8
86.09721	1.3
91.05480	1.4
93.07041	3.5
93.24801	0.4
95.04969	100.0
95.08597	3.5
96.05300	1.3
96.08154	1.0
97.06532	2.3
98.09740	0.6
102.09178	9.5
104.99142	0.4
105.07038	1.4
107.08605	1.7
109.06522	1.7
109.10138	0.7
111.08097	1.4
119.08585	1.3
121.10143	1.8
122.09677	3.7
123.08083	2.3
123.10404	0.6
124.11282	2.0
125.05984	0.6
131.08572	0.5
135.08080	0.6
135.11720	0.7
137.13275	0.8
139.11163	1.8
140.10706	1.6
147.11656	0.8
149.09599	0.8
163.11188	0.7
167.10609	0.6
171.16676	0.5
201.14986	0.9
211.16927	1.2
235.16945	0.9
237.05730	0.4
275.20087	0.7
293.21124	3.6
320.25848	5.1
328.68509	0.5
338.26852	41.0
339.27374	2.9
356.27917	74.6
357.28226	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	356.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05504	0.6
56.05033	0.6
57.03424	0.6
57.05816	0.5
58.06604	1.1
67.05497	1.2
69.07068	0.4
69.28592	0.8
69.29000	0.3
70.06587	3.0
71.05000	0.3
72.08150	100.0
73.02890	0.2
73.08492	1.5
79.05496	1.1
81.07057	1.3
83.04993	0.4
83.08583	0.4
84.08157	0.8
86.09705	0.6
91.05472	0.4
93.07046	1.2
94.06554	0.2
95.04931	0.3
95.08610	1.1
96.08125	0.6
97.06522	0.7
97.10195	0.2
98.23474	0.2
100.07600	0.3
101.08409	0.3
102.09172	0.2
105.07017	0.2
107.08585	0.7
108.08113	0.2
109.08916	0.3
109.10152	0.4
110.07162	0.2
110.09725	0.3
111.08091	0.2
114.09178	0.2
117.06998	0.2
118.62801	0.2
119.08601	0.4
121.10173	0.2
123.11688	0.3
124.11217	2.4
127.03875	0.2
130.12248	0.2
133.10098	0.3
135.11696	0.9
137.05977	0.2
153.12740	0.4
154.37642	0.2
163.11206	0.3
181.12192	0.2
183.11316	0.2
184.09215	0.1
187.07422	0.2
187.13251	0.2
243.17073	0.2
257.18930	0.2
293.08203	0.2
308.25760	1.0
312.25449	0.2
320.22070	0.2
326.26901	0.6
338.23318	0.3
338.26871	1.6
356.27914	48.0
357.18616	0.4
357.28244	3.7
364.31342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
55.01870	0.2
55.05515	0.5
56.05031	0.5
57.03443	0.7
57.05544	0.1
57.05817	0.4
58.06610	0.9
67.05510	0.8
69.03419	0.2
69.07071	0.4
70.06201	0.2
70.06594	3.1
70.66603	0.3
71.05023	0.2
72.08158	100.0
72.81812	0.1
73.08494	1.4
73.76804	0.1
79.05483	0.7
81.03411	0.1
81.07060	1.5
82.06580	0.2
83.05007	0.7
83.08626	0.3
84.08150	0.8
85.06554	0.2
85.57159	0.1
86.09710	0.9
90.70418	0.1
91.05469	0.6
93.07055	1.4
95.04999	0.3
95.08606	1.0
96.08153	0.5
97.06527	0.7
97.10171	0.4
100.07619	0.2
102.09184	0.3
105.07054	0.3
107.08593	0.8
108.08087	0.1
109.08921	0.4
109.10151	0.3
110.07151	0.2
110.09697	0.2
111.08092	0.4
114.09219	0.3
117.07011	0.2
119.08580	0.3
121.10145	0.4
122.09701	0.2
123.11745	0.3
124.11239	2.5
125.09615	0.2
129.10303	0.1
131.08553	0.2
133.10159	0.4
135.11714	0.8
145.10107	0.3
147.45905	0.1
149.13295	0.1
153.12718	0.3
163.11188	0.1
181.12285	0.4
187.13258	0.1
200.93013	0.1
204.06584	0.1
211.14413	0.2
243.17096	0.4
308.25824	1.1
312.25488	0.2
320.22168	0.2
326.26938	0.6
334.56622	0.1
338.22980	0.2
338.26837	2.0
356.27957	46.4
357.13702	0.3
357.18497	0.1
357.28275	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52819	0.2
55.05508	0.2
56.05043	0.9
57.03436	0.4
57.05816	0.5
58.06625	0.2
67.05504	0.5
69.07069	0.9
69.14079	0.4
69.14487	0.9
70.06591	2.2
70.68114	0.2
72.08157	100.0
73.07874	0.2
73.08492	1.6
79.05506	0.6
81.07069	1.0
81.13264	0.2
83.08619	0.3
84.08148	0.7
86.09727	0.3
91.05455	0.3
93.07040	0.9
95.08610	1.0
96.08132	0.6
97.06542	0.7
98.09709	0.2
107.08607	0.4
109.08868	0.2
109.10178	0.4
110.09647	0.2
111.08134	0.3
119.08619	0.2
121.10188	0.3
122.09715	0.2
124.11228	2.0
135.11716	0.7
153.12755	0.4
212.97101	0.2
217.14403	0.2
275.20035	0.6
293.02704	0.2
305.54352	0.2
338.26920	2.6
356.27951	42.5
357.28256	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05516	1.2
56.05032	0.4
57.03443	3.7
58.06600	1.0
65.03942	0.6
67.05504	4.0
69.03433	0.5
69.07069	1.3
69.43822	2.7
70.06590	1.6
71.04997	0.9
72.08156	73.1
73.08491	0.9
79.05505	2.8
81.07052	4.6
83.04985	2.2
83.08610	0.6
84.08129	2.0
85.08923	0.8
86.09721	1.3
91.05480	1.4
93.07041	3.5
93.24801	0.4
95.04969	100.0
95.08597	3.5
96.05300	1.3
96.08154	1.0
97.06532	2.3
98.09740	0.6
102.09178	9.5
104.99142	0.4
105.07038	1.4
107.08605	1.7
109.06522	1.7
109.10138	0.7
111.08097	1.4
119.08585	1.3
121.10143	1.8
122.09677	3.7
123.08083	2.3
123.10404	0.6
124.11282	2.0
125.05984	0.6
131.08572	0.5
135.08080	0.6
135.11720	0.7
137.13275	0.8
139.11163	1.8
140.10706	1.6
147.11656	0.8
149.09599	0.8
163.11188	0.7
167.10609	0.6
171.16676	0.5
201.14986	0.9
211.16927	1.2
235.16945	0.9
237.05730	0.4
275.20087	0.7
293.21124	3.6
320.25848	5.1
328.68509	0.5
338.26852	41.0
339.27374	2.9
356.27917	74.6
357.28226	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05507	3.8
56.05030	1.2
57.03442	1.4
58.06617	2.6
67.05504	4.0
68.67702	0.5
69.07079	1.8
69.18655	3.5
69.19070	1.2
70.06595	3.6
71.05003	1.3
72.08156	100.0
73.08491	1.3
76.80143	0.6
79.05491	5.4
81.03431	0.9
81.07058	9.6
83.04966	2.6
83.08622	1.2
83.10040	0.6
84.08150	1.7
85.02902	1.1
85.06553	1.1
86.09715	2.8
91.05485	2.5
93.07065	4.6
95.04967	15.7
95.08614	4.6
96.05275	0.7
96.08154	1.1
97.06520	2.8
97.10152	0.8
98.09680	1.2
99.04503	0.7
99.50626	0.5
102.09199	2.4
105.07025	1.9
107.04937	0.8
107.08596	2.4
109.06535	3.0
109.10162	1.4
110.09686	2.2
111.04430	3.3
114.09180	1.1
117.06998	0.6
119.08598	1.5
121.10137	3.7
122.09678	0.9
124.11210	3.0
125.05945	0.7
125.11562	0.6
129.10283	0.8
131.08583	0.9
133.06436	0.5
133.10149	1.1
135.08122	1.0
135.11719	1.2
137.06058	1.0
142.39429	0.7
143.08546	0.7
145.10126	0.9
252.79037	0.7
254.21184	1.5
320.25806	3.5
338.26865	24.0
339.27362	2.3
356.13831	1.3
356.27997	55.1
357.13837	0.9
357.28464	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	356.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.4
56.05027	1.0
57.03440	1.4
57.07082	3.2
58.06601	11.8
65.03941	1.1
66.22429	0.5
67.05506	5.5
69.07069	3.6
69.15725	2.7
69.16137	1.7
70.04653	0.7
70.06584	2.0
71.04984	1.7
71.08633	1.6
72.08157	37.4
79.05490	1.8
81.07060	6.1
83.01906	0.6
83.08630	1.9
84.08138	2.1
85.06570	0.8
85.08922	1.0
86.06081	0.7
86.09705	0.7
91.05470	0.8
93.07054	2.4
95.04968	100.0
95.08604	5.8
96.05295	2.2
96.08128	1.4
97.06530	1.3
97.10169	1.9
98.09705	2.4
99.04411	0.7
102.09176	9.7
105.07006	0.7
107.08607	2.2
108.08134	0.7
109.10152	2.2
110.07146	0.6
110.09718	2.9
119.08582	0.8
121.10152	1.2
122.09665	4.3
123.10506	0.8
123.11720	0.8
128.10725	8.2
135.11693	0.7
140.10757	0.9
144.10201	1.2
145.10091	0.7
183.17470	1.0
293.24802	3.6
311.31317	2.0
320.29413	4.3
320.33133	2.1
324.28979	3.8
329.32245	0.8
338.30527	24.8
338.34204	8.0
339.30875	1.9
339.34607	0.7
356.31595	40.6
356.35269	16.8
357.31924	4.2
357.35657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
56.05039	3.0
57.03443	2.5
57.07084	1.0
58.06601	100.0
59.06948	0.8
67.05508	4.0
68.05093	0.5
69.07061	3.8
70.06594	2.3
70.45660	1.3
71.04999	4.6
72.08157	81.8
73.08491	1.3
79.05484	2.6
79.55382	0.6
81.07068	4.3
82.06582	2.0
83.04968	1.4
83.08612	2.5
84.08154	1.3
85.06531	1.0
86.09698	0.9
88.07682	0.8
88.75623	0.6
91.05482	1.0
93.04622	0.7
93.07040	3.8
95.04967	2.5
95.07338	1.1
95.08607	5.6
96.08150	0.8
97.06510	2.4
97.10169	1.2
98.09666	0.8
99.04453	0.6
107.08603	1.4
108.08101	2.0
109.10130	1.5
110.09684	10.8
111.08059	1.1
121.10122	1.7
124.11195	1.8
126.12781	0.8
131.08467	0.7
133.10138	0.7
135.11644	0.9
140.10670	1.2
149.09537	0.6
149.13229	0.6
177.16460	0.7
257.19073	0.6
306.27716	2.1
311.31387	3.4
320.29398	5.1
324.28961	25.5
325.29297	3.0
329.32205	0.8
338.30508	31.7
339.30518	2.5
356.31357	24.9
357.31699	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	356.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.03441	4.6
57.07076	10.4
58.06607	3.5
67.05502	3.5
69.07050	2.1
69.56677	0.9
69.57082	2.2
70.06593	1.6
71.08630	7.0
72.07751	1.2
72.08155	21.2
73.08464	0.5
77.27421	0.5
79.05489	3.3
81.07056	18.9
83.08614	2.2
84.08153	4.3
85.08923	2.0
85.10171	3.5
86.09697	0.7
86.79098	0.6
93.07027	0.8
95.08614	6.2
97.10158	2.1
98.09706	1.2
109.10150	2.9
121.10138	0.8
123.11707	1.6
124.11217	0.9
164.86966	0.5
179.17883	0.7
197.19009	3.2
293.28323	4.2
338.34161	48.4
339.34558	3.1
356.35214	100.0
357.35513	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	356.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46960	0.4
53.03945	0.9
55.05515	8.2
56.05035	2.0
57.03449	3.1
57.07076	2.4
58.06604	11.1
59.48529	0.4
64.82965	0.4
67.05509	9.8
69.07073	7.7
69.42456	2.8
70.06606	3.4
71.04994	0.7
71.08641	1.3
72.08159	36.7
79.05493	4.3
80.94825	0.5
81.07062	12.1
83.08627	4.2
84.08150	4.0
85.06535	1.7
85.08930	2.7
85.10197	0.5
86.09710	1.8
91.05493	1.4
91.22359	0.5
93.07056	4.8
95.04972	27.3
95.08612	8.6
96.05279	0.6
96.08132	1.1
97.10168	2.9
98.09693	8.8
102.09186	4.6
107.08607	3.7
108.08096	0.9
109.10160	4.0
110.09692	2.3
110.10422	0.5
112.11245	1.2
117.66221	0.4
121.10135	2.4
122.09676	0.8
123.11702	1.2
124.11268	1.0
126.12860	0.5
128.10722	6.4
135.11702	1.6
144.10233	0.8
149.13289	0.9
160.88982	0.5
165.05769	0.5
168.17436	0.8
197.13248	0.5
228.43935	0.5
247.83153	0.5
293.24722	1.0
320.29520	1.9
320.33008	9.4
321.33450	0.9
324.29117	2.1
329.32248	0.6
338.30502	7.7
338.34238	33.5
339.30914	0.9
339.34589	3.0
356.31628	9.7
356.35284	100.0
357.31873	1.0
357.35590	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	357.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	1.8
57.42367	1.7
60.05639	1.7
60.08162	1.7
69.72388	3.7
69.72791	4.6
70.06595	37.4
72.08150	8.2
84.08147	25.8
86.09711	5.3
91.05840	1.7
98.97604	5.7
101.13943	1.6
110.07211	3.3
112.11616	1.5
116.07106	3.2
116.98672	2.5
119.01978	2.1
124.07601	4.0
129.10245	16.2
130.08653	1.5
134.99731	1.6
138.93842	1.6
140.98891	2.2
142.08664	5.2
156.03300	3.1
158.09215	1.5
158.99850	9.3
169.09532	2.1
171.11037	2.5
172.94389	2.1
174.04367	3.0
175.11978	3.1
176.97571	2.8
177.00963	74.1
178.01089	9.8
186.04366	4.2
189.05554	2.2
190.95367	2.1
199.02983	1.8
200.02757	2.6
201.00996	5.8
203.02547	3.9
204.05444	4.2
205.02290	2.0
209.01511	3.3
215.09833	1.8
217.04080	57.5
218.04155	9.8
219.02005	58.4
220.02103	13.2
221.01949	5.2
224.93846	2.0
226.04042	10.7
227.02414	15.4
228.02768	3.0
228.05615	5.6
229.00531	3.3
229.15457	6.6
232.96471	7.1
243.02031	16.4
243.06924	2.3
244.01912	4.1
244.05196	2.9
245.03574	100.0
246.03740	16.8
247.01500	7.6
248.94038	2.2
250.37967	1.5
250.97546	3.2
252.06976	2.1
253.00632	2.1
253.05205	1.6
255.06812	2.6
261.03027	21.3
262.02933	2.8
262.05328	4.4
266.94958	3.6
268.04971	3.2
269.05121	2.3
271.01489	45.1
272.01712	6.7
272.99316	2.0
279.07745	6.9
280.06302	5.2
286.06253	1.9
287.01147	2.6
289.02557	39.7
290.02805	4.4
290.95190	3.8
296.99484	3.6
297.08420	8.2
298.04193	2.5
298.07343	15.2
299.07736	3.3
311.07053	2.1
313.02728	1.8
314.95215	13.1
315.00525	33.2
315.08929	41.6
315.95398	2.0
316.00708	5.3
316.04935	4.9
316.08945	6.6
321.09027	5.2
331.01981	2.2
332.96152	15.9
333.01569	86.3
333.07230	3.6
333.96027	2.1
334.01718	14.8
334.10480	2.9
339.10202	9.2
356.03082	2.5
357.11093	64.1
357.25049	31.6
358.11368	9.8
358.25275	2.5
375.08572	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	357.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	6.4
60.05058	1.1
67.17834	1.2
69.17657	4.8
69.18078	4.4
70.06596	18.9
72.08163	3.7
84.04478	2.9
84.08144	11.4
86.09705	2.4
91.05807	2.2
98.23364	2.7
98.97631	3.3
100.27781	1.0
110.07192	2.5
116.98641	2.2
124.07609	1.7
129.10272	4.6
130.04921	1.5
134.93544	1.1
142.08643	2.2
156.03322	48.0
156.04604	2.3
168.03337	18.9
174.03169	1.0
174.04401	51.5
177.00938	6.7
186.04388	100.0
187.04741	2.7
192.05452	6.1
204.05452	75.9
205.05728	2.4
209.05966	1.8
217.04070	3.7
219.01921	5.5
222.06462	3.2
227.06949	1.9
228.05421	40.6
229.15495	2.4
231.07762	1.8
242.18645	1.6
245.03566	7.6
246.06497	36.3
269.08124	1.8
269.53674	1.1
271.01526	3.8
279.10153	19.2
289.02554	3.6
297.11224	34.3
298.11386	2.3
314.94958	1.5
315.00351	3.3
315.08200	1.7
315.12173	1.6
333.01556	5.4
357.10989	1.5
357.21216	1.8
357.25000	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84672	0.9
54.01942	1.0
56.96581	3.6
59.92985	1.0
69.71208	4.4
70.06595	17.2
72.08154	3.7
84.04507	2.7
84.08140	13.0
86.09699	2.3
87.44558	1.0
91.05829	1.5
96.08097	1.2
98.97610	2.1
110.07198	1.5
124.07620	1.9
129.10223	5.2
138.02292	1.2
139.95926	1.1
142.08678	1.4
156.03317	48.1
168.03317	20.4
174.04402	49.2
174.05927	2.4
177.00938	6.1
186.04382	100.0
187.04808	2.8
192.05492	6.1
204.05447	78.6
205.05743	3.7
209.06073	1.7
217.04089	2.6
219.02014	4.3
222.06497	6.2
228.03188	2.4
228.05438	41.5
229.05875	1.9
229.15463	2.3
231.07762	2.2
232.96445	2.0
245.03552	5.5
246.06499	35.8
247.06877	1.5
261.03064	1.7
269.08069	1.8
271.01578	3.5
279.10196	19.1
289.02585	2.7
297.11212	35.7
314.07318	1.4
314.94986	1.6
315.00464	1.2
332.95917	1.0
333.01556	4.2
357.07056	1.4
357.25055	16.4
358.07574	1.2
358.25256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2012
Annotation	3-Methylthiofentanyl
Peak:m/z	Relative Intensity
50.93326	0.4
54.30150	0.4
62.98252	0.6
69.66428	1.4
69.66833	0.7
73.19633	0.5
77.96954	2.0
87.04431	0.5
88.07610	0.4
102.07761	0.4
116.99206	0.5
129.09097	0.6
178.80849	0.4
193.03871	0.4
206.68759	0.5
229.11740	2.9
242.38651	0.4
339.18896	0.7
357.20114	100.0
358.20422	7.9
358.33273	0.6
375.19699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.1
55.05509	8.8
56.04999	1.1
57.03422	1.5
57.07061	1.2
58.06593	0.9
62.06091	15.8
65.03954	1.2
67.05502	13.1
69.07059	4.6
70.06597	3.0
70.34924	2.4
71.04993	2.8
71.36147	0.8
72.08155	13.5
79.05484	6.3
81.07059	19.4
83.04982	2.2
83.08615	9.4
84.08157	4.8
85.06548	3.5
85.08928	1.4
86.09692	1.3
91.05486	20.7
91.06020	1.8
93.07047	11.9
95.04967	100.0
95.08039	1.8
95.08611	18.9
95.09175	1.8
96.08136	1.8
97.06543	2.7
98.09704	3.6
99.04448	3.4
99.08051	1.0
101.06007	2.0
101.60204	0.9
102.09199	9.5
105.07031	10.4
107.07401	1.5
107.08594	13.6
108.08069	1.0
109.06519	2.9
109.10169	8.6
117.07022	9.0
119.08580	8.9
121.06523	1.2
121.10138	9.8
122.09671	9.7
123.08028	0.9
123.10445	3.8
123.11694	2.1
128.06172	0.9
129.07011	3.4
131.08572	5.5
131.19914	0.9
133.10143	8.7
135.11710	9.1
140.10730	4.2
143.08562	3.4
145.10158	3.1
147.11694	9.0
149.13287	5.5
157.10110	1.5
158.21516	0.9
158.60446	0.9
159.11746	3.4
161.13260	7.2
163.14807	2.3
167.10672	1.1
171.11716	1.3
173.13289	1.9
175.14819	4.8
177.12843	1.4
181.12332	1.5
183.11743	1.0
185.13239	2.5
187.14888	2.5
189.12753	1.1
189.16428	3.2
193.12318	0.9
195.13789	2.1
201.16428	4.3
203.14359	1.8
203.18034	1.7
211.14969	1.2
215.18013	4.0
217.19531	1.4
221.15369	2.2
229.19473	1.2
247.17038	2.7
257.22717	2.1
261.18878	1.4
275.20084	2.8
313.21628	1.4
339.26926	1.0
339.30841	2.3
340.25912	13.4
357.27942	38.0
357.31900	2.5
358.26981	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.0
55.05512	32.8
56.05843	2.6
57.03426	5.7
57.06837	1.5
57.07079	17.4
57.43721	1.1
58.06581	2.7
58.07389	1.3
61.34412	1.2
61.63407	1.2
65.03919	1.5
67.05178	2.1
67.05505	27.8
69.07068	40.3
70.06319	1.3
70.06604	11.9
70.07395	2.6
71.04977	1.5
71.06933	1.6
71.08633	10.4
79.05072	1.4
79.05497	17.5
81.07062	32.3
83.04974	1.3
83.08620	24.9
85.10181	6.3
88.07632	19.9
89.07943	2.8
91.05435	1.6
93.07052	24.4
95.08610	33.6
97.06512	10.5
97.10178	14.2
102.09181	3.1
103.04001	2.0
106.08678	8.1
107.08564	18.4
109.10159	17.9
111.08069	4.5
111.11714	5.3
121.09296	2.6
121.10146	37.3
122.55140	1.3
123.11703	5.0
125.09602	3.1
125.13297	1.7
135.11688	26.1
137.13242	2.9
139.11180	2.4
149.13228	11.8
151.14825	5.0
153.12820	1.9
163.14828	5.3
165.16368	3.6
165.31534	1.5
177.16389	2.9
181.15829	1.7
191.17940	2.1
205.19543	1.3
247.24222	30.3
248.24516	1.5
265.25259	21.8
266.25690	1.6
283.26459	2.5
310.34662	2.1
327.47409	1.4
339.28870	16.3
339.34644	6.2
357.14774	4.5
357.35556	100.0
358.36624	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01860	3.3
55.05512	70.6
56.05834	2.2
57.03438	14.6
57.07076	51.6
58.06605	1.7
62.58781	1.6
63.31968	1.7
66.61297	1.9
67.05505	74.4
69.07068	100.0
69.07410	3.6
69.07716	13.4
69.08124	5.1
70.06590	15.5
70.07388	4.3
70.53996	2.2
71.04986	2.9
71.08633	29.9
72.08147	5.4
75.04457	2.4
79.05488	51.5
80.05831	1.9
81.07053	93.3
82.07385	2.9
83.04967	4.2
83.08147	3.3
83.08620	66.0
85.06533	4.4
85.10179	15.3
88.07639	17.9
91.05476	7.9
93.07040	68.8
93.07626	4.1
94.07387	2.5
95.04960	4.1
95.08604	84.3
97.06532	29.2
97.10167	38.9
98.10457	1.8
98.23425	2.4
99.08038	2.6
102.09192	4.6
103.03942	3.8
105.07021	3.7
106.08654	11.7
107.08593	46.2
109.10146	44.6
110.10607	2.0
111.08088	14.1
111.11726	13.0
117.06996	2.3
121.10142	90.9
122.10458	2.8
123.11702	16.9
125.09610	8.4
125.13235	5.5
129.05489	3.4
131.08385	1.9
133.10027	2.0
135.11687	63.0
136.12027	2.8
137.13229	6.5
139.11160	4.7
143.14299	2.4
149.13248	30.4
150.01216	1.9
151.14809	8.4
153.12694	4.8
157.10144	2.1
163.14841	14.6
165.16417	13.5
167.14262	4.2
169.15855	2.5
177.16399	8.6
181.15935	3.2
191.17938	6.8
195.17386	2.8
205.19559	2.7
225.27446	1.8
247.24194	69.1
248.24541	4.5
265.25262	57.1
266.25558	3.7
283.26361	3.5
339.28955	36.3
339.34387	8.8
340.29068	3.5
340.35687	3.7
357.24094	3.6
357.30640	3.5
357.35535	66.1
358.36771	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01861	3.0
55.05514	71.0
56.67536	2.6
57.03441	11.0
57.07078	42.2
57.39175	2.6
62.23896	2.9
67.05505	76.6
69.07069	99.8
70.06599	17.0
71.04970	3.6
71.08636	27.9
71.30950	4.0
72.08186	3.8
75.04472	4.7
79.05502	47.1
81.07060	87.0
83.05029	3.1
83.08621	69.0
85.10175	13.3
87.04491	3.2
88.07627	23.7
91.05502	9.4
93.07045	58.6
95.08608	75.9
96.08955	2.7
97.06529	30.4
97.10171	37.0
99.08081	3.7
102.09187	3.2
105.07047	5.6
106.08672	11.8
107.08582	43.3
107.09163	3.5
109.10151	43.8
111.08096	12.4
111.11740	12.1
119.08599	3.5
121.10149	87.3
123.11720	19.0
125.09631	8.3
133.10110	3.5
135.11693	61.3
135.12680	4.0
135.82384	2.8
139.11217	7.7
143.14360	3.2
149.13286	29.7
151.14832	9.9
153.12758	3.0
163.14830	13.7
165.16370	6.3
167.14270	3.8
171.13977	4.5
177.16417	4.3
191.17973	6.5
247.24223	65.6
248.24634	3.4
265.25250	46.9
283.26343	5.6
299.20151	3.0
339.28894	36.0
339.33029	2.8
339.34631	4.0
340.29367	4.4
340.35675	6.6
357.24960	4.2
357.35550	71.5
358.36807	100.0
360.44931	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	358.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01857	1.7
55.05489	2.0
55.62494	1.4
56.05031	2.4
58.06593	2.5
59.35758	1.3
62.72334	1.5
67.05503	3.1
68.05046	1.9
69.03419	4.9
69.07056	4.3
70.06593	92.4
71.06917	3.7
72.08159	28.9
77.03933	2.3
79.05484	2.6
82.06586	1.9
83.06117	3.4
84.04501	20.3
84.08147	18.7
85.02895	19.0
86.09705	77.9
87.05614	2.0
94.16406	1.9
95.04964	7.9
96.08129	2.2
97.02885	6.3
98.22624	3.4
100.23318	1.4
101.07147	2.2
102.05541	3.0
105.03403	9.4
107.04947	16.2
109.02866	2.7
110.07162	3.3
110.09662	6.4
111.09988	1.4
116.07100	18.0
117.07420	1.6
123.04435	8.2
126.09093	1.6
127.03893	2.5
128.10713	47.9
129.06657	2.9
129.10255	11.1
129.11050	10.3
130.08632	1.8
132.10210	10.2
133.02847	32.1
133.06094	2.1
134.41925	1.7
136.07571	2.8
143.11739	3.7
144.10205	8.4
145.04967	3.5
151.03902	13.9
157.13367	11.2
161.02354	19.0
175.10690	7.4
179.03394	100.0
180.03725	3.1
181.09685	4.3
183.14926	3.1
185.12840	7.2
189.12404	3.1
197.12874	3.8
199.10814	6.4
199.18092	6.6
209.09239	4.9
215.13884	4.4
227.10411	7.6
229.15543	2.2
243.13367	3.0
314.27075	1.6
357.27383	2.2
358.26355	3.5
359.23849	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	358.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25683	1.2
54.63401	1.4
55.05511	4.8
56.05049	1.6
57.03441	2.8
57.07077	4.9
58.06612	7.1
67.05493	4.4
67.06518	1.4
69.07065	4.3
70.06596	5.3
71.08609	2.2
71.29842	1.5
72.08156	100.0
79.05503	2.7
81.07056	8.8
83.08611	2.7
84.08172	2.6
85.08949	1.5
85.10175	1.7
86.09727	1.9
87.04467	5.6
88.07642	2.7
91.05505	2.0
93.07032	1.3
95.04955	3.0
95.08625	6.5
97.10168	3.2
98.09689	4.1
105.06946	1.9
107.04977	6.8
109.10151	3.0
110.09703	1.6
117.07040	1.8
124.11221	1.8
129.09123	4.9
133.06517	1.6
135.08052	31.8
135.09090	1.6
161.09624	18.4
162.09854	1.6
179.65060	1.4
191.10664	68.1
192.11005	3.5
256.26480	2.7
322.34723	4.6
326.30524	28.2
340.31995	3.5
340.35736	16.0
357.35422	1.9
358.29416	2.6
358.32996	10.8
358.36804	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05513	1.8
57.03438	1.9
57.37499	0.8
58.06603	4.2
60.08166	7.8
64.55812	0.8
67.05511	6.1
68.21854	1.0
69.07075	1.3
69.27588	5.7
70.06593	1.9
71.05003	1.2
72.08147	4.4
79.05497	6.6
81.07067	10.5
83.04981	1.5
83.08620	2.0
84.08139	1.0
85.06557	1.3
86.09710	1.7
91.05488	5.9
93.07051	6.4
95.04974	3.3
95.08610	9.2
97.06538	2.6
105.07037	6.1
107.08627	2.5
109.06548	1.7
110.09760	0.9
111.08107	1.3
117.07005	2.7
119.08588	3.5
121.06508	2.3
121.10178	2.6
123.08076	10.9
128.10718	2.1
131.08571	4.8
133.06483	1.9
133.10120	1.7
135.11652	1.4
141.06973	1.4
141.09113	1.0
143.08572	0.9
144.13864	1.8
145.10156	3.3
147.11731	1.2
149.09567	0.9
149.13335	1.7
151.07587	4.7
157.10152	1.3
159.11716	4.7
161.09674	1.3
167.10617	0.9
171.11705	1.1
173.13385	5.3
177.12958	0.9
183.11809	1.2
191.14331	1.5
201.12755	1.5
219.13838	1.9
226.07465	0.9
226.63284	1.0
245.15375	1.1
263.16473	0.9
299.18613	1.0
308.27057	0.9
358.25870	100.0
359.16586	2.3
359.26175	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	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05035	0.6
57.03442	0.6
58.06604	2.0
67.05502	1.0
69.07062	0.5
69.45509	2.4
70.06599	3.0
71.72955	0.5
72.08158	100.0
73.08499	1.4
79.05515	0.7
81.07056	1.5
84.08147	1.1
86.09709	5.7
90.49355	0.4
91.05466	0.8
93.07040	0.9
95.08604	2.8
96.08153	0.6
97.06510	0.7
98.09715	0.5
98.22655	1.0
105.07048	1.0
110.09650	0.5
119.08601	1.3
119.75069	0.4
121.10136	0.5
124.11230	1.6
127.99003	0.4
128.10727	0.7
137.09677	0.5
145.10103	0.5
155.75090	0.4
199.18082	1.0
237.03896	0.7
280.22720	0.8
282.24429	1.3
283.22336	0.4
296.25912	1.0
340.24731	1.7
340.28406	1.0
358.25861	52.3
358.29550	3.6
359.26208	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	358.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05032	0.9
57.05819	0.4
58.06594	1.0
61.94114	0.3
65.14468	0.3
67.05494	1.0
68.95350	0.3
69.07066	9.3
69.29072	2.2
70.06596	2.3
72.08154	5.4
74.06085	0.4
75.59800	0.3
79.05490	0.8
81.07034	1.6
82.06594	0.8
84.04486	0.5
84.08141	1.5
86.06076	0.9
86.09703	100.0
87.10046	1.9
91.05457	0.7
91.46744	0.3
93.07021	1.0
95.07327	0.5
95.08611	1.3
96.08124	0.5
97.06541	1.0
98.09676	0.4
105.07061	0.8
107.08578	0.7
108.08083	0.4
109.10148	0.4
109.68713	0.4
110.09681	4.2
114.09164	0.4
115.05064	0.5
121.10183	0.4
123.71364	0.4
127.46431	0.4
128.10713	17.8
129.10219	1.1
129.11086	0.7
132.10193	1.0
134.43729	0.3
137.06023	0.4
142.08592	0.6
146.11766	0.7
146.74739	0.4
167.06943	0.7
179.07053	0.5
184.84601	0.3
186.12308	0.4
188.06816	0.4
199.18044	29.6
200.18459	1.1
201.12338	1.3
215.13599	0.4
226.14409	0.8
227.17528	10.5
227.19672	0.7
229.12090	0.3
244.15428	2.6
245.09023	1.2
245.18594	4.1
292.95505	0.4
322.27206	0.6
340.24884	0.5
340.28461	2.2
358.17435	2.7
358.25812	8.6
358.29642	3.7
359.17249	0.4
359.26706	0.6
359.30164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2698
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
50.94753	0.1
55.05497	0.4
56.05027	0.4
57.05814	0.3
58.06600	0.7
58.39955	0.2
59.30433	0.1
60.05641	0.2
67.36195	0.1
69.07069	4.8
69.37733	0.7
70.06594	1.7
72.08150	1.1
79.05500	0.3
81.07063	0.4
84.08137	0.6
86.09705	100.0
87.10032	1.7
91.05478	0.3
95.05019	0.2
95.08620	0.3
97.06520	0.2
98.09695	0.3
98.23450	0.1
105.07055	0.2
108.08112	0.3
109.10118	0.2
110.09670	0.7
112.08756	0.2
114.09149	0.2
118.27988	0.2
128.10715	2.8
129.10258	0.3
132.10213	1.3
199.18050	28.7
200.18391	1.2
227.17538	12.4
228.17868	0.5
245.08974	0.3
245.18594	7.4
312.25369	0.2
324.20291	0.5
340.28433	0.3
358.19247	0.8
358.25671	1.5
358.29681	1.3
359.23935	0.2
366.22800	0.2
380.23950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64173	0.5
55.05505	2.3
56.05021	1.3
57.03435	0.8
57.07074	12.4
58.06597	5.7
59.05004	0.7
67.05495	5.4
69.03426	10.9
69.07072	4.0
69.41131	0.5
69.71608	2.1
70.06576	1.4
71.08629	6.9
72.08154	37.4
73.08506	0.6
79.05493	1.4
81.03406	0.5
81.07058	7.9
83.08622	2.3
84.08161	3.3
85.08924	1.6
85.10180	5.9
86.09705	0.6
86.29163	0.6
87.06874	0.7
88.07600	0.9
91.05489	1.2
93.07027	1.3
95.04958	6.6
95.08606	13.7
97.10124	0.6
99.04490	1.1
100.07581	0.6
102.09177	83.3
103.09525	2.0
105.07024	0.9
107.08614	1.1
109.06512	4.0
109.10144	5.0
111.04451	9.9
119.08578	0.9
121.10146	0.9
123.08005	0.8
127.07571	0.8
133.10226	0.7
137.05986	2.0
150.42921	0.6
169.15874	5.4
186.96625	0.6
195.21152	0.5
203.21605	0.6
207.89877	0.6
249.22406	0.7
277.21591	9.1
278.22098	0.8
295.22635	4.7
322.27521	0.6
340.28433	4.0
358.29526	100.0
359.29883	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
56.04844	0.5
56.05042	6.1
57.03436	3.2
57.07077	9.8
58.06601	11.4
60.04528	7.3
64.93824	0.6
66.81185	0.6
67.05505	8.6
69.07073	6.3
69.67694	2.7
70.06596	6.8
71.04991	1.8
71.07377	1.1
71.08633	5.6
72.04519	0.7
72.08157	59.2
73.05320	1.3
74.06083	25.1
74.84840	0.7
79.05488	2.9
81.07059	9.6
82.06583	0.8
83.08633	4.0
84.04496	1.1
84.08131	1.9
85.05293	3.8
85.06546	0.7
85.10171	3.5
86.09705	1.4
88.07635	8.9
91.05480	1.0
93.07037	3.2
95.04967	12.5
95.08606	15.6
96.08121	1.5
97.06521	1.9
97.10161	2.3
99.04486	0.8
100.07625	13.2
102.09201	4.5
107.08588	1.5
108.08131	2.8
109.10163	5.3
110.09675	2.3
119.08494	0.8
121.10114	1.7
123.11712	1.0
124.11237	2.2
126.09155	2.0
128.10735	0.7
135.11678	1.4
147.93651	0.6
152.92018	0.6
164.63599	0.6
169.15944	3.0
279.23102	1.0
292.26239	0.8
310.27454	4.7
322.31122	1.5
340.28360	2.0
340.32071	9.9
358.29453	100.0
358.33276	27.2
359.29819	8.3
359.33640	2.0
360.15460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01879	1.7
55.05511	12.1
56.05001	1.6
57.03435	5.2
57.07076	2.1
57.47279	1.2
58.06584	1.3
62.06087	72.9
67.05503	19.5
69.07069	12.6
70.00977	1.2
70.01314	4.5
71.04984	10.6
72.08154	23.7
76.08814	1.1
79.05487	6.4
81.07054	18.3
83.04993	3.5
83.08614	10.3
84.08128	1.2
85.06551	4.3
86.85528	1.1
87.95668	1.5
91.05473	6.5
93.07043	9.8
95.04961	13.2
95.08595	14.4
95.09052	1.1
97.06527	4.6
97.10194	1.9
98.22726	1.4
99.04475	2.3
102.09179	25.7
105.07014	1.5
107.08569	7.7
109.10163	3.4
111.08092	1.3
119.08588	1.4
121.10125	5.7
122.09695	1.9
133.10117	1.7
149.13332	3.8
188.93945	1.2
192.32104	1.2
196.68384	1.2
198.64413	1.2
227.71101	1.1
227.73428	1.3
279.23160	5.8
338.92572	1.1
340.28632	12.1
358.29578	100.0
359.29840	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	358.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29025	0.5
51.37087	0.5
51.44793	0.5
55.05495	1.9
56.05018	1.7
57.03413	0.7
57.07070	12.7
58.06597	4.8
63.18422	0.6
67.05495	4.7
69.03085	0.9
69.03429	11.1
69.07084	3.4
69.79302	2.8
69.79648	0.7
70.06588	1.3
71.04984	0.6
71.08633	8.0
72.08152	36.7
73.08496	0.7
79.05492	1.2
81.07059	9.1
83.04987	0.6
83.08614	1.9
84.08130	4.7
85.06531	0.7
85.08923	1.6
85.10176	8.8
88.07592	0.8
91.05466	1.1
92.03516	0.6
93.07072	1.2
95.04986	3.6
95.08602	14.6
97.10143	1.4
98.22697	0.8
99.04448	1.1
102.09176	87.6
103.03567	0.6
103.09511	1.4
105.07030	1.5
107.08549	0.7
109.06510	4.8
109.10147	4.4
111.04442	9.6
119.08502	0.9
123.11660	0.8
127.07552	0.8
137.05963	1.2
145.71021	0.6
151.07504	0.7
151.14827	1.2
163.14876	0.6
169.15871	5.3
176.22234	0.7
181.82443	0.6
191.53297	0.6
249.22112	0.8
277.21631	8.2
295.22583	5.6
305.18417	0.6
340.28619	3.4
358.29523	100.0
359.29825	7.3
371.43912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83157	0.3
55.05500	1.9
56.05047	0.5
57.03425	1.9
57.05807	0.5
58.06605	1.0
67.05510	1.9
69.07058	1.2
70.06591	2.1
70.33547	1.3
71.04990	1.2
71.07363	0.4
72.08153	100.0
73.06557	0.7
73.08487	1.4
73.08872	0.4
79.05485	1.9
81.07054	6.4
83.08608	1.4
84.08149	0.8
85.06570	0.9
86.09690	3.9
91.05472	0.9
93.07057	2.2
95.04962	4.3
95.08607	5.6
96.08099	0.4
97.06529	1.7
97.10172	1.2
100.07633	0.5
102.09187	1.0
105.07027	1.3
107.08563	1.9
109.10148	0.9
119.08583	1.5
121.10142	1.2
124.11218	1.9
135.11694	0.8
137.13245	1.8
137.42010	0.4
147.11693	0.6
159.11630	0.4
159.58070	0.4
161.13248	0.5
185.16547	0.9
201.14819	0.6
208.51897	0.5
237.01895	0.6
243.15851	0.4
277.21567	0.6
289.97595	0.4
322.27567	2.2
340.24350	0.9
340.28458	17.9
341.28818	1.6
358.29492	63.8
359.29834	5.7
375.30319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05031	0.6
57.03438	5.8
57.05811	0.5
58.06595	0.5
59.91334	0.5
62.21729	0.5
67.05505	2.3
69.06693	3.9
69.07085	1.0
70.06569	2.0
71.04997	0.5
71.07343	0.6
72.08155	100.0
73.08490	1.6
79.05498	1.5
81.07056	3.5
84.08141	0.6
86.09708	2.9
88.84413	0.5
91.05495	0.9
93.06548	0.4
93.07007	2.1
95.04977	2.3
95.08603	3.8
96.05315	0.7
97.06549	1.7
97.10170	1.0
102.09193	0.6
105.07038	1.0
107.08604	1.0
108.45823	0.4
109.10135	0.7
110.09722	0.5
111.08085	0.6
119.08607	1.0
121.10151	1.1
124.11240	2.9
135.11720	0.7
137.13255	1.3
139.11166	0.6
145.10030	0.7
147.11694	1.8
159.58034	0.4
175.66292	0.4
208.92410	0.4
237.01918	0.7
237.18405	0.8
247.05594	0.5
259.20633	0.5
275.35120	0.4
322.27386	2.4
339.65256	0.4
340.28467	19.4
341.28745	1.3
349.32285	0.4
358.29489	73.6
359.29904	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	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25697	0.3
55.05507	0.6
56.05041	0.9
57.03436	1.3
57.05816	0.6
58.06603	0.4
63.82996	0.3
67.05512	0.9
69.07062	0.4
69.07779	2.1
70.06597	2.2
71.05036	0.3
72.08156	100.0
73.08508	1.6
79.05501	0.9
81.07050	2.6
83.08640	0.3
84.08126	0.7
86.09763	0.3
93.07056	0.8
95.08613	1.4
95.61559	0.3
96.08138	0.5
97.06520	0.3
98.81631	0.3
105.07068	0.4
107.99415	0.2
110.09718	0.4
123.11718	0.3
124.11228	2.8
142.12358	0.3
147.11726	0.3
167.83235	0.2
237.01933	0.5
322.27554	0.4
340.28458	3.0
341.22208	0.4
358.29504	49.5
359.23346	2.2
359.29855	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	358.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43673	0.2
51.10698	0.2
54.37342	0.2
55.05527	0.4
56.05032	0.7
57.03442	1.2
57.05812	0.5
58.06605	0.5
67.05512	1.4
69.07078	0.4
69.84260	0.4
69.84645	0.5
70.06590	1.9
72.08159	100.0
73.08493	1.7
79.05510	0.5
81.07059	2.5
81.82279	0.2
82.06605	0.2
83.08604	0.3
84.08158	0.7
85.06554	0.4
91.05493	0.4
93.07032	0.7
95.08607	2.4
96.08145	0.6
97.06547	0.7
100.07590	0.4
102.09183	0.2
105.07048	0.3
107.08633	0.4
109.08880	0.4
109.10171	0.3
110.09707	0.4
124.11247	2.4
147.11757	0.2
150.93690	0.2
217.56255	0.3
227.94179	0.2
312.28937	0.7
322.27600	0.2
340.28467	2.4
341.28949	0.4
358.29520	50.2
359.29865	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	358.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05515	2.2
56.05031	0.6
57.03437	1.3
57.06826	0.6
57.07079	5.8
58.06604	1.3
60.39162	0.4
62.06096	0.6
62.83802	0.4
67.05505	3.6
69.07066	2.3
70.06596	3.3
70.44768	0.5
70.45106	1.1
71.04993	1.1
72.08154	100.0
73.08476	1.8
79.05484	2.5
81.03423	0.5
81.07053	7.1
83.04994	0.9
83.08624	1.0
84.08148	2.0
86.09711	2.8
91.05471	2.5
93.07040	2.1
95.04962	1.4
95.08613	2.9
96.08134	0.5
97.06548	1.5
98.09685	0.6
102.09187	1.4
105.03399	1.6
105.07050	1.8
107.08601	2.2
107.97318	0.4
109.06525	1.2
109.10191	1.4
111.08126	0.9
117.07007	0.6
119.08572	1.1
121.06524	0.4
121.10143	0.8
123.08136	0.8
123.11714	1.3
124.11221	3.2
127.11218	1.1
128.10732	0.6
131.08548	0.7
135.08052	0.7
147.11713	1.4
155.14288	0.5
165.12682	0.4
171.11693	0.5
176.12796	0.9
193.15945	0.7
237.02045	0.5
237.18620	1.3
277.21707	0.8
322.27286	3.4
340.28455	23.9
341.28659	2.8
358.18613	3.9
358.29584	65.0
359.23825	0.7
359.29953	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	358.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97600	0.5
53.03938	0.6
55.05516	2.8
56.05026	0.9
57.03437	4.4
57.07077	0.9
58.06359	0.4
58.06601	3.4
61.04397	0.5
64.40793	0.5
66.96393	0.5
67.05496	4.6
69.07066	8.0
69.88467	1.9
70.06595	2.9
71.04984	1.5
71.07362	0.8
72.08154	40.1
73.08488	1.1
79.05498	4.9
81.07059	14.8
83.05001	0.8
83.08618	2.6
84.08139	3.9
85.08912	1.4
86.09708	2.0
87.27553	0.5
91.05494	1.1
93.07042	6.0
95.04961	1.6
95.08605	8.2
96.08904	0.5
97.06519	3.0
97.10172	0.6
98.09688	1.1
99.08095	0.9
105.07028	1.7
107.08583	4.1
109.10161	1.6
110.09667	0.6
111.08057	1.1
111.11720	0.7
119.08562	1.6
120.66679	0.4
121.10098	2.6
123.08076	1.0
124.11197	1.4
127.46037	0.4
128.10744	0.5
129.10173	0.5
131.08527	0.4
133.10097	1.4
135.11707	5.4
149.13261	0.7
153.12723	1.7
161.13289	0.6
217.14264	1.0
224.50623	0.5
259.20523	1.7
277.21558	5.0
278.21988	0.7
322.27298	1.7
340.28436	44.4
341.28745	5.7
358.29486	100.0
359.29816	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	358.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64806	0.3
53.03966	0.4
55.01863	0.4
55.05519	2.3
56.05034	0.7
57.03449	2.6
57.05804	0.6
57.07081	5.4
58.06615	0.8
67.05511	3.0
69.07066	2.8
69.73620	0.7
69.74029	0.9
70.06602	1.6
71.08640	2.7
72.08157	100.0
73.08484	1.5
79.05508	1.1
81.07058	3.1
83.08598	2.4
84.08137	1.0
85.10175	1.8
86.09714	1.6
93.07044	1.0
95.04964	4.0
95.08605	5.5
95.09175	0.6
97.06518	2.6
97.10171	1.4
100.07645	0.6
102.09182	2.6
107.08598	1.0
109.10157	2.5
111.04469	0.4
111.11770	0.3
121.10168	1.0
122.26379	0.3
123.11720	0.8
124.11221	2.5
135.11720	0.6
154.10399	0.3
172.70897	0.3
183.17511	0.6
211.20595	0.4
212.32140	0.3
236.99898	0.4
279.23236	0.4
322.31076	2.0
340.32095	18.0
341.32434	1.6
358.29733	3.2
358.33163	63.8
359.29697	0.4
359.33536	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	358.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05024	1.4
57.03446	1.3
57.07076	1.9
58.06598	9.0
58.06884	0.5
60.04517	0.7
67.05508	1.7
69.07065	1.2
70.06591	2.3
71.04991	0.3
71.07360	0.3
71.08632	1.3
72.08154	100.0
73.08484	1.6
74.06077	1.9
79.05506	0.8
81.07045	2.3
82.06573	0.3
83.08627	0.8
84.08143	1.2
84.58791	0.2
85.05270	0.4
85.10176	1.0
86.09708	0.4
87.04444	0.3
88.07642	0.6
91.05481	0.8
93.07052	0.4
95.04979	2.4
95.08610	3.4
97.06530	0.8
97.10191	0.2
100.07614	1.2
102.09199	0.5
105.07045	0.3
107.08584	0.2
108.08111	0.4
109.08913	0.5
109.10162	1.0
110.09696	0.9
121.10123	0.4
122.09641	0.3
124.11221	2.5
148.23637	0.3
149.13341	0.2
169.15901	0.7
198.46005	0.2
228.70685	0.3
228.72858	0.2
263.23987	0.2
279.23077	0.2
280.72803	0.2
304.67075	0.3
308.29468	1.8
322.31058	0.8
326.30515	36.7
327.30881	3.2
340.32089	5.0
341.32489	0.5
358.16428	0.4
358.29428	7.1
358.33215	8.1
359.29810	0.6
359.33560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61132	0.5
55.05515	6.1
56.05033	2.0
57.03450	6.0
57.07078	7.1
58.06601	13.5
60.04531	0.8
61.73968	0.4
62.06095	2.3
64.84196	0.4
67.05504	8.5
67.19823	0.4
69.07069	7.1
69.53741	2.3
70.06593	4.8
70.34130	0.4
71.04987	0.9
71.07380	0.9
71.08640	3.7
72.08156	95.6
73.08482	1.7
74.06091	2.6
79.05489	1.9
81.07055	13.0
81.52216	0.5
82.07407	0.8
83.08620	4.6
84.08138	3.9
85.06556	1.8
85.08932	2.2
85.10176	1.8
86.05499	0.4
86.06060	0.5
86.09709	1.7
87.04466	1.4
88.07632	2.1
91.05482	2.0
93.07055	1.3
95.04989	1.1
95.08605	12.0
96.08145	1.5
97.06531	0.6
97.10167	3.1
98.09691	8.5
98.70834	0.5
100.07635	1.1
102.09190	2.2
105.07016	1.1
107.08582	0.9
109.10152	5.3
110.09731	1.4
112.11255	1.3
117.07031	1.6
119.36787	0.6
121.10167	0.9
123.11731	2.1
124.11231	1.9
129.09096	6.0
131.08562	0.6
135.11708	0.8
137.13318	0.6
143.08598	1.0
169.79152	0.5
170.10439	0.5
236.97891	0.6
256.26309	2.5
263.13486	0.5
288.89917	0.5
308.29593	1.0
322.34613	10.0
323.35263	0.9
326.30536	22.3
327.30899	2.4
335.15460	3.3
340.32019	4.5
340.35703	32.4
341.32492	0.9
341.36151	3.2
353.16422	1.7
358.29437	7.0
358.33066	12.6
358.36823	100.0
359.29749	0.8
359.33353	1.3
359.37161	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	358.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	11.0
59.90783	4.0
63.28279	3.9
71.28848	5.0
81.69999	4.1
86.20370	4.9
98.97581	100.0
104.98620	3.9
105.22639	4.5
112.39927	4.2
116.98636	50.1
119.01950	7.1
131.56177	4.9
134.08025	4.2
134.99652	13.9
151.95175	4.6
172.94403	8.0
174.97685	14.6
177.00972	9.9
179.00746	8.2
190.95439	10.5
192.94965	5.8
192.98679	10.7
214.95509	8.4
216.98753	40.7
219.01982	17.9
221.01846	12.8
232.96463	29.5
234.99762	58.3
235.99933	5.1
240.02748	4.2
245.01881	4.7
250.93970	4.5
250.97673	16.3
256.96674	13.5
258.01450	4.7
258.99841	30.7
261.00214	8.8
261.03067	32.9
262.03323	5.8
263.02856	37.7
268.94818	8.5
274.94772	5.3
274.97775	34.5
277.00897	36.9
278.00980	5.0
282.99948	15.0
284.99811	19.0
286.99521	5.7
292.94992	18.0
292.98590	6.6
293.95819	18.3
294.96082	5.9
298.97769	42.6
301.01086	20.9
302.01288	6.0
303.00909	28.7
304.00952	5.3
307.93735	7.7
316.95010	68.6
316.98804	87.6
317.95120	7.0
317.98901	12.3
334.96021	60.9
335.96182	12.1
340.98874	29.3
341.98953	7.2
358.96005	7.0
358.99857	68.4
359.03723	9.5
359.99933	14.7
376.97223	14.7
377.01416	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	359.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05315	0.6
55.05516	5.4
56.05043	3.3
57.05823	0.7
58.06604	2.4
60.05639	2.0
61.01131	0.9
69.07066	5.5
70.06594	28.3
71.06919	1.4
71.29025	1.2
72.08155	77.7
73.08467	1.2
79.05491	0.7
81.03415	1.3
81.07064	1.1
83.06102	11.4
83.39078	0.7
84.04040	1.2
84.04504	14.5
84.04971	1.1
84.08145	20.5
85.02907	2.7
85.04851	1.0
86.09705	100.0
87.10046	1.5
89.03932	0.7
90.83740	0.7
96.08177	0.8
101.07147	2.3
101.10757	0.9
102.05553	2.1
107.04968	0.6
110.07189	2.0
110.09668	2.1
112.08717	1.4
114.09196	1.0
115.08693	1.0
116.07087	6.8
117.03416	0.7
117.07480	0.7
118.06887	1.4
118.08666	2.1
119.04938	0.8
120.08092	0.9
123.04424	1.0
128.10722	6.5
129.06624	2.7
129.10246	22.8
130.08636	1.3
130.10553	0.7
132.10196	12.5
133.06123	0.7
135.04424	2.7
137.05957	0.7
138.06671	0.6
138.09111	6.2
141.73923	0.7
143.11800	10.0
144.06604	0.7
144.10233	1.7
145.02991	0.6
147.07671	0.9
147.11339	1.1
155.11870	3.0
157.09753	3.2
157.13359	8.3
158.09213	0.7
159.09045	0.8
163.02672	1.3
163.03908	12.7
165.05463	4.0
171.11301	9.5
175.10628	4.9
175.12135	4.2
179.03436	1.1
181.04945	5.2
182.12875	11.0
183.11298	11.4
183.14897	1.0
185.12823	5.0
185.16513	1.2
189.12344	11.7
196.14450	1.1
197.02100	4.6
197.07990	1.3
197.12886	1.7
199.18102	2.4
200.13950	6.7
203.13921	1.8
210.12364	3.9
211.10725	1.7
215.13931	1.9
221.11742	1.8
223.07599	0.7
225.12389	0.6
225.16026	2.0
227.17664	1.2
228.13490	2.7
228.17137	0.9
231.17194	0.7
239.17479	1.5
243.13434	1.0
246.14563	2.4
254.13206	1.3
260.19669	0.9
270.18079	3.2
271.57495	0.6
279.58679	0.8
300.13620	0.6
311.16000	0.9
341.21759	6.5
342.20370	0.8
358.25745	2.9
359.07458	6.2
359.12756	1.4
359.16885	2.4
359.23367	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.05509	0.9
56.05037	2.4
58.06598	2.7
59.49870	0.8
61.02931	1.9
67.05516	1.4
69.03423	5.6
69.03831	6.3
69.07056	12.8
70.02961	1.6
70.06591	25.9
71.04993	1.2
72.08153	10.4
73.02931	0.9
79.05470	1.1
81.03406	1.7
81.07037	1.9
84.04506	1.3
84.08134	13.0
85.02904	17.0
85.04021	1.7
86.09703	100.0
87.05580	8.1
87.10034	2.0
91.03965	1.3
91.05463	5.1
93.07038	5.4
95.04950	1.2
96.08147	2.8
97.02901	4.3
98.02430	3.0
98.09723	0.7
99.04436	1.1
104.05320	1.5
105.07041	3.7
107.08595	13.4
109.02900	2.2
109.06512	1.5
109.10144	1.1
110.02418	3.8
113.10759	2.9
115.08669	0.9
116.07106	2.4
119.04889	1.2
119.08569	1.8
120.08109	1.8
121.06469	1.1
124.03924	1.3
124.07613	0.9
127.03939	3.3
129.10223	8.2
130.04951	0.9
130.06554	0.8
130.08687	0.9
132.08104	1.0
132.10243	4.2
133.10129	14.1
135.11678	12.2
136.07582	3.2
137.05957	1.6
137.09602	1.8
138.09167	3.0
141.10234	10.9
144.10246	1.5
145.04933	1.3
151.11206	1.2
155.11780	5.4
157.09583	0.8
161.09592	7.2
166.08641	6.9
171.11342	1.0
175.11969	1.4
179.10683	22.0
180.11096	1.3
183.11330	8.0
185.16431	0.8
187.10782	2.9
196.09776	1.1
197.11722	57.1
198.12045	1.2
200.13957	17.3
201.10571	1.0
211.10832	3.5
212.09222	5.5
213.12117	1.0
217.13261	0.8
223.50330	0.8
228.13434	15.1
228.17024	1.0
229.11865	4.9
229.15546	3.4
246.14456	9.2
247.11064	1.3
296.19745	2.6
324.25104	1.0
342.20432	1.1
342.26389	2.4
359.16748	1.1
359.23907	6.4
359.26871	1.2
360.19473	1.4
360.23615	1.0
360.27518	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.12169	0.4
53.03948	0.9
55.01886	0.7
55.05510	0.5
56.05036	0.6
57.03437	0.7
58.06594	1.4
58.77407	0.5
60.05655	0.8
61.02921	1.1
67.05489	1.1
69.03436	3.6
69.07067	2.7
70.02978	0.7
70.06598	7.5
70.56541	0.8
70.56873	0.6
72.08154	3.1
73.02919	0.6
75.05624	1.0
79.05476	2.7
79.21545	0.5
81.03417	1.3
81.07063	2.1
84.08149	7.3
85.02911	9.0
85.04031	0.6
86.09708	68.3
87.04438	0.6
87.05582	2.4
87.10036	1.1
88.04021	1.4
91.05486	4.0
93.07043	6.1
95.05033	0.7
95.08614	2.0
96.08137	1.5
97.02905	1.8
97.06495	0.6
98.02419	0.9
105.07021	7.4
107.08594	34.7
108.08210	0.7
108.08951	1.8
109.02909	1.3
109.06540	1.5
109.10157	1.7
110.02380	0.7
110.07186	0.6
110.09679	0.8
112.08676	0.5
113.10760	1.2
115.05062	0.9
119.05000	0.6
119.08578	6.3
120.08122	0.9
121.06501	0.8
121.10134	5.9
123.11697	1.2
125.09629	0.5
126.09134	0.9
126.77286	0.5
127.03925	1.5
128.10742	1.7
129.10262	5.0
131.08502	0.6
132.10214	4.5
133.06363	0.5
133.10130	20.4
134.10468	0.5
137.05949	1.2
137.09625	0.7
138.09171	1.8
139.07545	2.3
141.10239	2.8
143.08624	1.0
143.11792	13.0
143.12886	0.6
144.10201	2.4
145.04997	1.2
149.09592	3.3
151.07547	1.3
151.11180	8.7
152.11638	0.6
155.11772	3.6
161.09608	6.1
166.08670	0.5
167.10678	14.8
171.11279	3.3
175.11922	1.0
179.10669	18.3
180.11057	1.0
183.11317	2.7
189.12331	5.8
197.11729	100.0
198.12096	4.9
199.18109	0.5
200.12106	0.7
200.13940	13.9
201.12393	3.3
228.13446	4.7
229.11861	1.1
245.18590	2.2
248.30945	0.6
325.17447	1.1
341.21747	1.5
342.21796	0.7
342.26407	1.1
359.17017	0.7
359.24017	4.0
359.29755	1.5
360.27521	2.8
360.31277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05031	1.4
58.06602	1.9
60.04522	0.4
60.05653	0.5
61.01162	0.4
61.02919	0.5
62.21654	0.4
67.05508	0.6
69.03424	1.1
69.07066	10.8
69.22301	2.7
70.02953	1.4
70.06590	15.4
71.05000	0.5
72.07795	0.5
72.08158	3.9
73.02905	0.5
73.04029	0.4
76.89288	0.3
79.05502	0.6
81.03403	0.4
81.07059	1.0
84.04497	0.7
84.08142	7.3
85.02900	4.1
85.04016	2.1
85.92471	0.5
86.09702	100.0
87.05585	7.6
87.10040	2.1
88.03989	0.7
91.05472	1.1
93.07044	1.6
93.07597	0.4
95.08585	0.5
96.08120	2.3
96.23090	0.4
97.02879	1.2
97.06528	0.7
98.02420	2.7
103.66106	0.4
104.05341	1.3
105.07021	1.1
107.08596	3.1
108.08112	0.5
109.06524	0.6
109.10204	0.4
110.02399	3.7
110.07181	0.5
110.09701	1.3
111.04325	0.4
112.08727	0.7
113.10738	3.0
113.83206	0.3
115.05067	0.4
116.07102	1.3
120.08104	1.0
124.03941	1.2
124.07635	0.7
127.03871	1.1
129.10226	5.2
130.05017	0.5
130.08578	0.6
132.10201	3.8
133.10107	3.1
135.11682	2.7
136.07570	1.0
137.05954	0.5
138.09145	3.2
141.10220	10.1
143.11769	0.9
144.10162	0.6
145.05013	0.4
153.10228	1.3
155.11787	6.5
156.12210	0.4
157.13339	0.5
161.09587	1.9
166.08659	7.7
167.09068	0.4
169.09785	0.6
170.06084	0.6
171.11295	0.9
175.11977	1.0
179.10660	4.4
183.11295	8.4
183.14937	0.4
187.10780	4.1
189.12314	0.9
196.09833	0.4
197.11720	13.5
198.12119	0.6
199.17920	0.4
200.13933	23.2
201.10571	1.3
201.12328	0.9
201.14246	0.7
211.10739	4.4
212.09171	5.5
213.12357	0.9
217.13445	0.6
227.17770	0.5
228.13429	18.7
228.16962	0.8
229.09961	0.6
229.11864	4.7
229.13768	0.9
229.15564	0.5
245.18457	0.6
246.14484	10.5
247.11018	0.6
247.14766	0.5
255.17035	0.9
260.19696	0.4
263.14117	0.5
277.19897	0.4
296.19672	3.2
314.20721	1.1
322.31311	0.4
324.19305	0.5
325.17502	0.9
342.20380	1.4
342.26483	0.9
359.09045	1.1
359.16827	0.5
359.23419	3.4
360.19629	0.7
360.23563	0.6
360.27414	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	359.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20814	0.6
52.27159	0.5
55.05512	0.9
56.05037	1.4
58.06596	3.6
60.05649	1.3
60.39561	0.7
67.05506	0.8
68.57824	0.5
69.07073	10.6
69.71474	0.7
69.72737	3.0
70.02953	1.7
70.06591	11.9
71.04987	0.7
72.08150	4.6
72.08478	0.7
84.04496	0.7
84.08142	9.8
85.04031	1.5
86.09706	100.0
87.05595	5.4
87.07143	0.5
87.10053	1.1
88.03998	2.0
91.05477	1.7
95.04949	0.6
95.08617	0.7
96.08135	4.2
98.02425	4.4
104.05317	0.9
104.96267	0.6
110.02409	2.3
110.09695	2.5
111.09226	0.7
112.07558	0.8
112.08749	0.8
112.11273	0.9
113.10765	2.4
115.08710	0.7
116.07114	0.9
120.08145	0.9
122.09682	0.7
126.09175	1.7
129.10225	6.4
130.08603	2.2
132.10199	5.6
136.07568	1.4
137.05948	0.8
138.09166	3.6
140.10732	0.9
141.10207	11.1
142.08684	1.4
144.10197	6.0
147.07675	0.9
149.02354	10.3
155.11792	14.6
155.12968	1.1
156.10175	0.9
157.13397	1.2
163.03897	6.4
166.08569	3.6
175.11911	1.7
181.04915	3.2
182.12755	0.6
183.11307	11.7
184.11752	0.8
187.10756	1.0
199.18089	1.0
200.13947	46.5
201.12350	3.6
201.14313	2.1
211.10754	1.0
212.09222	1.0
217.15416	0.7
228.13419	10.6
229.11870	4.5
229.15523	1.4
245.16022	0.8
245.18709	1.4
246.14575	1.5
247.13008	2.4
255.17184	0.9
279.17358	0.8
283.16467	1.0
296.19815	1.2
325.17795	2.0
342.26477	2.1
359.08942	1.0
359.23904	3.5
359.26987	1.7
360.23935	0.8
360.27548	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	359.2289
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
50.51384	0.3
50.73513	0.3
55.05492	0.3
56.05036	0.6
58.06590	1.0
60.05648	0.6
69.03448	0.4
69.07067	6.3
70.02956	1.8
70.06587	3.9
72.04509	0.6
72.08154	1.8
75.05605	4.5
84.08145	3.9
85.04028	1.1
86.09705	100.0
87.05589	4.4
87.09504	0.3
87.10025	1.7
88.03976	2.7
91.05465	0.3
93.07031	0.5
95.04962	0.6
95.08621	0.6
96.04523	0.4
96.08132	2.7
98.02419	3.9
98.09712	0.4
98.23469	0.5
98.69234	0.3
99.05590	0.8
102.02372	0.3
104.05367	0.4
107.08614	0.4
108.08150	0.4
110.02392	2.1
110.09695	0.7
112.08730	0.6
112.11275	0.6
113.10775	3.0
114.09235	0.4
115.05054	0.8
115.08649	0.4
120.08107	0.6
124.03946	0.7
126.09176	0.9
128.10677	0.4
129.10249	2.1
130.08662	0.3
132.10202	8.8
133.06113	0.6
134.08125	0.3
134.90218	0.3
136.07506	0.4
138.09157	4.6
141.10219	8.1
142.08644	0.4
143.11792	26.6
144.10190	3.2
144.10966	0.3
144.12141	1.0
155.11792	8.8
156.10226	1.8
156.12103	0.4
157.13393	0.6
166.08649	1.8
171.11279	8.1
171.12671	0.5
175.11946	0.6
182.12912	0.5
183.11281	9.3
184.11592	0.3
189.12338	12.0
197.11765	0.4
199.18138	0.6
200.13942	32.7
201.10448	0.6
201.12363	11.3
201.14268	1.3
228.13434	9.2
229.11795	3.5
229.15579	0.5
245.13026	0.4
245.18642	1.3
247.12894	1.7
255.16972	0.7
283.16537	1.0
296.19711	0.7
312.19055	0.4
313.43015	0.3
325.17499	1.7
341.21872	2.4
342.26459	1.0
351.48196	0.3
359.23410	2.8
360.27264	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	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81603	0.9
55.05502	6.3
56.05023	5.3
57.05819	0.9
61.92228	0.8
69.07059	3.4
69.60159	3.1
70.06593	10.0
71.06942	1.3
72.08154	63.2
73.08501	1.4
82.41058	1.0
83.06100	41.8
84.04501	41.0
84.08137	7.8
85.04834	1.0
86.09704	100.0
87.10048	1.8
98.22594	0.9
100.26820	0.7
101.07146	8.7
102.05542	2.0
110.09706	1.4
112.08723	0.9
113.07121	1.0
116.07098	2.3
118.08649	19.6
118.92236	0.8
128.10710	1.6
129.06596	7.3
129.10237	6.9
131.11806	2.6
132.10208	29.2
138.09143	10.7
141.06590	2.2
143.11821	2.0
147.11281	1.0
152.10730	2.5
155.11823	4.9
157.13397	4.5
163.03938	1.4
166.08554	0.8
169.13374	2.6
175.10789	3.3
182.12886	21.3
183.11285	25.9
184.11623	1.2
185.12874	3.1
185.16495	1.7
196.14458	14.7
197.12874	11.6
199.17984	4.6
200.13945	10.7
201.12303	1.8
203.14053	1.2
210.12384	9.0
211.10785	3.4
214.15488	7.0
215.13884	2.0
224.13950	6.1
225.12370	3.6
227.17453	1.1
228.13431	7.7
229.11772	1.8
231.17068	2.0
242.15015	6.4
341.21826	21.4
342.22116	1.3
359.23523	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	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
56.05029	3.5
57.05809	1.0
60.05663	1.6
60.84013	0.6
69.03458	0.6
69.07064	5.5
69.33242	4.1
70.06591	22.1
71.06930	2.3
72.08156	92.0
73.08486	0.7
77.55766	0.6
83.06105	16.0
84.04503	18.9
84.08143	16.4
84.08625	1.3
85.02871	1.6
86.09706	100.0
87.05576	0.7
87.10046	2.4
89.03915	1.4
97.02915	0.7
98.06078	0.8
98.22688	1.4
101.07153	4.4
101.10746	1.0
102.05540	1.4
104.05275	0.7
110.07153	3.0
110.09698	1.2
112.08723	1.9
115.08699	0.8
116.07087	5.0
117.07375	1.2
118.08637	1.8
120.08054	0.7
127.08664	1.8
128.10712	1.2
129.06586	2.6
129.10240	23.0
130.08607	1.3
130.09650	0.7
130.10567	0.8
132.10207	15.5
135.04416	2.6
137.05957	1.1
138.09134	9.4
141.06708	0.7
143.11807	8.2
144.06499	1.4
144.10164	0.9
145.02811	2.3
147.07648	1.1
147.11276	1.3
155.08234	0.7
155.11778	3.8
157.09764	4.3
157.13371	7.9
161.12813	0.9
163.02530	0.8
163.03896	15.4
165.05479	5.6
171.11281	11.8
175.10625	4.6
175.11931	2.6
179.03273	0.8
181.04947	6.1
182.12892	16.3
183.11288	16.3
183.14824	1.0
185.12856	6.0
185.16422	2.1
189.12361	11.4
196.14417	0.9
197.02084	2.7
197.12915	1.6
199.18063	4.1
200.13904	7.9
203.13887	0.8
210.12373	6.4
211.10698	1.8
215.13919	1.2
221.11711	2.9
225.15994	1.4
227.10262	1.1
227.17474	1.9
228.10542	0.9
228.13370	3.8
228.17065	1.1
231.17056	1.2
244.13518	0.7
246.14546	2.4
270.18042	2.4
324.19775	1.0
341.21796	9.9
346.38638	0.8
359.07150	4.1
359.16782	2.0
359.23477	8.3
360.23560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52972	0.3
55.05462	3.0
56.05033	3.0
57.07074	0.3
57.29979	0.3
60.04484	0.4
60.05650	2.0
67.05480	0.6
69.03396	1.1
69.07027	0.8
70.06595	11.6
70.43404	0.4
70.43745	0.7
71.04962	0.4
71.06899	0.9
72.08157	33.2
74.06077	0.3
75.49477	0.3
82.06560	0.9
84.04513	1.7
84.08144	100.0
85.02897	2.9
85.06517	1.0
85.07994	0.3
85.08467	2.0
85.70916	0.3
86.09708	33.9
89.25180	0.3
95.06128	0.4
96.08132	0.4
97.02911	0.5
97.07654	0.5
99.04488	0.3
101.10782	4.3
102.05534	0.5
102.07682	0.3
102.09186	0.7
110.07190	0.8
111.09264	0.9
112.07616	0.6
112.08720	2.2
112.11248	0.6
112.94548	0.3
115.08735	1.2
116.07091	1.8
127.03938	0.5
127.08713	0.7
129.10242	69.7
130.05074	0.8
130.08661	1.5
130.09715	0.3
130.10632	1.1
135.04510	1.2
138.12784	2.9
139.04007	0.8
143.11790	1.8
145.05078	0.8
147.07703	0.3
147.11307	1.5
148.06073	1.7
155.15559	0.4
156.11476	0.8
157.13342	2.4
158.09410	1.3
161.12933	0.4
163.03934	3.4
171.11469	0.5
172.10985	0.4
173.09395	0.6
175.11919	4.2
179.03548	0.5
180.06720	0.6
181.05011	2.2
183.14932	6.6
183.79865	0.3
184.15488	0.5
185.12988	0.5
185.16498	9.5
189.12506	0.6
197.16711	0.5
200.17809	0.6
210.16338	1.7
211.12767	0.4
211.14729	1.4
213.14227	0.4
213.15993	4.5
222.58890	0.3
225.17451	0.3
228.17467	5.6
229.13498	0.3
231.17511	2.0
242.18945	0.7
246.16072	0.7
246.18665	1.2
260.19943	0.4
261.15005	1.9
271.18033	0.5
324.20801	0.7
341.26111	0.6
342.24936	0.6
359.14279	1.1
359.18060	1.0
359.20258	1.2
359.24643	1.9
359.27631	13.3
360.24185	0.5
360.28342	0.7
380.33362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55924	1.6
53.03944	1.9
57.03421	1.6
61.02898	2.8
68.98737	7.4
68.99165	8.6
69.03434	5.1
69.07069	4.8
70.06590	2.9
71.05036	1.4
72.08154	4.0
72.76459	1.5
73.02893	1.9
78.78016	1.6
81.03417	3.4
84.08163	2.1
85.02908	27.0
86.09706	100.0
89.03917	4.5
93.03416	2.3
97.02882	7.7
99.04483	2.0
105.13768	1.6
107.05003	2.2
109.64360	1.9
111.04460	4.6
111.52794	1.8
117.03385	7.0
123.42870	1.6
127.03925	4.7
129.10272	1.9
135.04413	16.3
139.03902	16.5
145.02888	9.1
145.04930	8.0
156.93927	1.6
163.03908	79.1
164.04225	2.5
180.01302	1.7
180.08659	2.0
181.04962	48.5
182.05203	2.5
199.18053	23.8
227.17578	8.1
247.12936	7.2
300.14145	1.8
384.16632	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93162	1.4
69.76971	3.9
72.08152	5.3
79.05482	2.1
83.06836	1.3
85.02911	3.7
86.09703	21.7
89.03907	3.6
93.44801	1.2
102.45316	1.4
107.04933	1.9
117.03374	8.5
128.10677	1.8
129.10188	1.7
135.04420	17.9
145.02878	12.7
163.03899	100.0
164.04231	2.4
165.72206	1.4
181.04950	30.8
199.18022	3.6
219.71935	1.5
227.17538	1.7
230.88234	1.5
251.50299	1.6
260.99625	1.7
277.57367	1.7
304.47311	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03689	0.8
55.05512	7.5
56.05033	3.2
56.20937	1.0
57.03446	1.3
58.06602	26.9
61.01183	1.0
66.31077	1.0
67.05506	4.1
68.99763	5.6
69.00195	3.3
69.03439	1.9
69.07073	1.2
70.06593	37.6
71.04987	0.8
72.08156	57.6
73.08502	2.2
76.64228	0.8
79.05489	2.8
81.07047	2.1
83.04990	1.1
84.04500	11.2
84.08146	4.8
85.02895	5.7
86.09704	24.6
87.10034	1.3
89.03915	4.0
91.05458	1.4
93.07050	1.7
95.04936	0.8
95.08581	1.8
95.73682	1.0
96.08123	1.1
98.23463	1.4
102.05541	9.7
104.05307	1.1
107.04949	3.1
107.08632	1.2
109.10138	3.4
116.07095	3.0
117.03380	7.5
118.08651	2.7
120.08089	2.0
123.04408	4.4
123.08071	0.9
128.10725	2.5
129.10266	2.2
132.10204	5.2
135.04408	17.0
135.05389	1.3
136.11244	2.1
138.09125	1.3
139.03860	1.0
143.11780	1.3
144.10199	2.4
145.02843	13.6
150.05919	1.2
156.10225	1.3
158.87791	1.0
163.03902	100.0
164.04257	4.4
171.11322	1.1
172.11694	1.1
181.04959	36.8
182.05310	1.4
183.11316	3.1
183.14943	3.6
197.12874	5.5
201.12325	14.6
211.14421	1.9
215.13905	3.9
217.13641	2.2
229.11803	12.7
243.13388	6.7
247.11066	10.7
248.11301	1.1
251.57838	0.8
257.83038	0.9
261.14325	1.4
296.26035	1.2
298.27377	1.7
314.26782	2.2
315.27280	1.5
324.25266	1.9
325.06912	1.7
342.26349	7.0
359.29092	3.7
360.19986	2.1
360.27423	80.3
361.27652	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	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95554	5.7
55.01859	8.4
56.05030	9.5
56.96563	9.7
57.03455	10.1
68.71278	6.5
69.03430	29.1
70.06590	33.0
71.28027	10.9
72.08161	42.2
81.03437	7.5
84.04506	34.8
84.08153	74.9
85.02903	100.0
86.09704	65.5
87.05576	8.8
96.04527	8.0
97.02908	32.3
97.04781	6.4
98.97588	9.7
104.05360	11.7
114.04041	19.6
116.07089	10.8
118.03561	11.1
119.01934	12.8
126.05535	18.4
127.03922	58.8
129.10257	8.3
130.04982	7.3
136.04527	6.6
138.05551	14.7
141.05200	10.2
141.08762	17.6
142.03525	8.9
143.06682	7.3
143.10422	8.0
145.03528	7.5
145.03932	8.0
145.04977	55.9
156.24739	6.9
159.06247	7.8
159.09824	17.1
161.07738	9.1
163.06041	24.5
169.08253	8.2
170.06653	10.3
174.04393	7.3
175.11940	12.6
179.00789	8.8
185.16505	20.3
187.05702	25.4
187.09253	21.2
198.97696	12.7
203.04097	7.3
204.05339	10.0
205.06656	17.1
205.10323	62.3
210.09975	12.3
213.07359	7.5
213.16026	12.1
216.98698	59.7
234.99773	18.5
237.10793	10.4
248.03781	10.0
252.99004	7.7
255.08400	15.4
255.11945	40.1
257.09897	8.4
258.01733	9.6
258.99789	32.6
269.70026	7.0
270.99805	27.8
281.09811	12.6
299.10922	18.1
325.08762	8.8
336.01590	8.3
343.10022	23.7
361.11035	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28854	2.3
54.48152	2.5
65.13419	2.3
69.97047	10.0
71.70725	3.0
72.08158	3.8
81.63692	2.3
85.02901	6.0
86.09711	8.3
92.10981	2.5
103.05467	37.2
128.10735	7.9
131.04933	100.0
132.05237	4.4
135.52553	2.5
163.07578	31.7
194.85750	2.6
250.90239	2.6
284.16769	2.6
360.27234	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
55.05508	7.2
57.03438	5.2
58.06598	12.6
65.52578	2.3
67.05493	5.5
68.92974	2.3
69.03437	3.6
69.07064	2.7
69.51914	10.0
70.06606	5.1
71.05006	3.2
72.08162	23.7
75.70244	2.2
79.05490	5.7
81.07072	25.2
83.08618	3.3
84.08145	7.2
84.81059	2.3
85.02921	12.6
87.04476	2.6
93.07042	5.0
95.08604	16.7
98.23360	2.9
100.11263	5.6
103.05469	3.1
105.07062	3.8
119.08601	2.5
121.06520	7.5
124.11266	2.3
137.13313	2.8
140.04659	14.0
149.05988	8.3
153.05518	4.4
181.08595	49.8
184.88531	2.8
196.15872	2.7
203.29323	2.3
235.73277	3.1
254.45647	2.6
270.82016	2.4
310.18015	2.6
317.26743	2.6
324.28958	3.4
342.26321	6.2
342.30035	44.9
360.26208	14.2
360.31143	100.0
361.31503	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	360.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37317	0.9
55.05484	1.3
55.57344	0.9
56.05028	2.3
58.06604	10.2
60.13926	1.0
67.05502	2.7
69.07066	11.9
70.02940	1.3
70.06596	4.5
71.09164	1.4
72.08153	3.4
79.05476	1.9
81.07047	1.9
84.08136	3.1
85.02905	1.8
85.04034	1.2
86.09708	88.4
87.09563	1.1
87.10040	6.1
88.03995	14.2
91.05497	1.1
93.07041	1.8
95.08595	1.9
96.08117	6.5
98.02410	3.4
98.09671	1.8
108.08112	6.1
110.09693	4.7
111.04343	0.9
113.10769	1.7
126.09155	9.5
128.10728	14.0
132.10237	5.2
133.06075	1.6
138.09117	2.6
141.10231	11.7
142.08646	1.9
144.06462	0.9
144.09099	1.6
144.10199	24.1
144.12059	2.1
145.10541	1.6
156.10211	19.7
163.05948	1.7
166.08664	2.3
171.11301	1.5
183.11259	3.1
184.09671	2.3
186.07686	1.0
189.12440	0.9
198.12068	1.5
201.12347	100.0
202.12595	4.5
229.11852	13.5
248.98398	0.8
278.24838	1.1
324.25217	1.7
342.26547	5.7
356.26001	0.9
360.27377	36.5
360.31158	5.1
361.27780	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	360.2133
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05508	1.7
58.06593	6.7
67.05491	2.3
69.07066	3.1
69.44755	3.2
69.45074	2.2
69.47438	2.5
69.47906	5.8
70.06588	1.9
72.08174	3.5
73.02902	4.1
79.15610	1.7
79.79698	1.8
81.07072	1.6
83.08662	1.8
84.08149	2.6
86.09710	83.0
87.10045	2.5
88.03997	11.0
95.08633	2.3
96.08134	1.9
98.02439	3.7
100.03992	6.7
100.11209	2.4
107.08608	2.5
113.10765	3.1
128.10751	2.8
130.08672	2.6
132.10190	4.6
137.05934	2.2
138.09142	4.5
141.10252	13.5
142.08655	2.4
144.10188	1.7
155.11821	2.0
156.10204	10.7
183.11293	6.0
184.09737	3.9
201.12347	100.0
201.40663	1.5
202.12643	3.7
229.11841	18.3
276.55621	1.5
360.26984	7.1
360.31052	27.7
361.31317	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	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.3
55.81620	1.0
58.06613	7.4
67.05518	2.4
69.07070	10.4
70.02962	1.4
70.06579	4.7
70.74990	2.7
72.08142	5.2
76.93864	1.2
79.05515	1.3
79.97138	1.1
81.07056	2.4
82.06605	1.4
84.08124	3.7
85.02912	2.0
85.04004	2.1
86.09708	76.6
87.10041	3.9
88.03994	14.8
88.07638	1.3
93.07057	1.8
95.08635	1.5
96.08142	6.8
98.02406	4.1
108.08117	4.1
109.10129	1.4
110.09663	5.0
113.10757	1.5
126.09127	6.9
128.10715	13.0
129.10236	1.3
132.10207	4.7
138.09137	1.3
141.10228	12.9
142.08667	2.7
144.10202	17.0
156.10214	17.4
163.05940	1.2
165.96141	1.0
183.11237	6.4
184.09724	2.1
195.04626	1.0
197.11800	1.1
201.12350	100.0
202.12724	3.0
203.21173	1.3
229.11821	11.7
253.51985	1.2
342.26270	5.9
360.27393	41.8
360.31216	4.5
361.27731	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	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
56.05041	3.6
57.05817	1.1
57.25612	0.7
58.06603	2.6
60.05662	0.7
66.21136	0.7
69.07063	1.7
69.33795	2.9
70.06601	12.1
71.06937	0.7
72.08159	95.9
73.08491	2.9
79.05518	1.1
83.06106	2.2
84.04507	30.8
84.06438	1.0
84.08149	9.0
85.02904	1.3
85.04855	1.8
85.08499	0.7
86.09710	100.0
87.10036	5.2
88.03988	1.6
95.04983	0.8
95.08646	0.7
102.04927	1.3
102.05550	16.2
110.07174	1.9
110.09681	1.4
114.09195	0.7
116.07057	1.8
118.08657	2.2
120.08142	1.8
128.10678	1.8
129.06651	1.8
129.10255	5.8
130.10587	0.7
132.10207	33.7
133.10603	1.3
135.04420	2.9
136.07526	0.9
138.09146	11.1
139.03928	0.8
139.09497	1.4
144.10141	0.9
145.02867	1.3
148.06064	3.7
155.11745	2.8
156.10236	7.0
163.03925	10.2
164.04169	0.7
169.13342	1.4
181.04982	4.7
182.12927	0.9
183.11310	29.8
183.12923	1.7
184.11546	2.0
185.16498	18.1
186.28575	0.6
197.12869	1.5
199.18048	3.5
201.12367	30.4
201.14113	1.1
202.12714	1.5
211.10783	6.3
213.15990	7.1
215.13905	3.0
227.17368	0.8
229.11842	7.8
231.17012	1.6
243.13243	0.9
247.12799	2.0
271.18448	0.7
342.22424	1.1
342.26346	1.7
343.20941	0.8
351.38150	0.6
357.57791	0.7
360.23602	3.0
360.27203	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2128
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05515	8.2
56.05026	3.5
57.05812	1.4
58.06598	2.0
59.05382	0.8
69.07062	2.1
69.96291	2.9
69.96635	0.8
70.06591	15.6
72.08154	100.0
73.08485	3.8
77.13533	0.7
83.06110	0.9
84.04503	46.2
84.08136	3.6
84.31701	0.8
85.02898	1.4
85.04835	1.2
85.71840	0.7
86.09704	88.5
87.10039	3.8
95.04964	1.0
102.05537	23.0
110.09677	1.9
116.07072	3.3
117.10275	0.8
118.08651	15.7
118.10545	1.0
120.08092	1.5
128.10744	1.1
129.06624	2.0
129.10252	2.2
132.10202	48.5
133.10545	1.8
135.04414	1.4
138.09142	12.3
141.06561	1.5
145.02859	1.4
148.06082	1.0
155.11766	3.2
156.10176	8.6
163.03920	10.3
163.05804	0.9
170.11740	2.0
172.11577	1.1
181.04933	3.7
183.11279	39.5
183.14894	3.1
184.11618	1.8
185.16461	2.4
197.12848	9.2
201.12340	38.3
202.12642	1.5
211.10760	9.3
211.14429	1.6
213.12453	0.8
215.13913	15.6
217.13693	1.9
225.12325	3.5
229.11797	12.5
229.13800	1.5
231.16977	2.7
243.13385	7.2
243.15440	1.3
247.10965	1.1
263.14771	0.8
271.53711	0.8
280.95648	0.7
296.19662	1.2
360.23737	2.0
360.27438	4.7
362.83496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.0
56.05043	3.3
57.05820	0.7
60.04524	0.6
60.05637	1.2
69.03418	1.2
69.07054	0.6
69.72450	1.3
69.72840	1.2
70.06590	8.3
71.06937	0.8
71.59596	0.5
72.08153	92.7
73.08492	2.5
74.06075	6.3
83.06098	2.7
84.04506	10.1
84.07623	1.2
84.08141	30.7
85.02896	5.7
85.08472	8.0
86.09702	100.0
87.05624	0.7
87.10026	3.6
89.03951	0.8
91.05460	1.1
95.06071	0.6
97.02874	1.6
98.22626	0.6
100.44156	0.5
101.07140	1.0
101.10775	0.9
102.05543	3.8
110.07153	2.3
111.04425	1.6
112.08733	1.5
114.09135	0.9
115.08717	0.8
116.07076	1.3
117.03408	1.3
119.08175	1.8
127.03905	1.6
127.04951	0.6
127.08601	0.7
129.06604	0.6
129.10231	20.1
130.05005	3.4
130.08623	0.9
130.10591	7.3
132.10204	2.4
135.04396	3.4
139.03873	2.5
140.07076	1.4
143.11789	1.1
145.02826	1.5
145.04938	1.9
147.11305	0.7
148.06046	14.0
152.06940	0.7
159.07741	0.9
159.09149	0.7
159.11276	1.8
161.12811	0.7
163.03900	12.8
164.04243	0.8
173.09331	0.6
175.10638	0.9
175.11967	1.2
181.04964	6.7
183.14932	1.5
184.10783	1.2
184.15259	1.1
185.16484	51.3
186.16794	2.2
187.10698	0.9
189.12341	0.7
197.12830	0.7
205.06346	0.5
212.10298	1.1
213.08640	0.6
213.15971	22.8
214.16220	1.3
215.13930	0.7
229.17270	1.5
230.11298	2.0
233.14812	0.7
243.13290	0.6
247.13153	0.6
261.14432	12.3
262.14804	1.4
301.94690	0.7
343.19724	1.6
360.19852	1.3
360.22968	3.1
360.26913	3.2
361.14478	0.8
361.19666	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	360.2531
Annotation	Spiraeaine A
Peak:m/z	Relative Intensity
53.03947	1.7
55.01870	2.7
55.05509	3.2
56.05029	2.7
57.03436	2.6
58.06602	26.9
59.06943	1.0
63.08906	1.1
67.05518	5.6
69.03432	2.3
69.07051	1.8
70.06602	7.4
71.04984	1.4
71.07378	1.5
71.30137	1.2
72.08157	39.0
79.05493	5.1
81.03427	1.9
81.07056	13.6
81.94359	1.1
82.06578	1.3
83.04954	1.9
84.08150	8.8
85.08450	1.1
85.08919	3.5
86.09706	3.8
91.05480	13.2
93.03416	4.0
93.07040	6.8
95.04968	3.8
95.08602	8.7
96.08184	1.3
97.06513	2.2
98.09694	8.1
103.05470	4.0
105.03385	1.7
105.07043	6.2
106.05032	1.4
107.08635	2.2
108.08064	1.6
109.06487	2.3
110.07138	1.8
110.09687	4.3
111.04459	2.1
111.08093	1.3
112.11282	1.2
115.05497	2.2
117.07059	3.1
119.08591	2.5
121.06493	4.1
124.11246	2.3
129.07004	3.4
129.10257	1.4
131.08572	1.7
133.10117	2.0
135.08069	1.9
137.09633	1.4
140.14342	1.2
143.08626	1.6
145.10060	1.5
147.07973	1.4
155.08493	1.5
157.10139	1.8
159.08011	1.7
164.70979	1.1
171.11664	2.3
173.09598	1.3
196.17018	3.3
200.16405	1.3
218.17432	1.3
235.50803	1.1
243.96838	1.1
258.41074	1.2
294.61777	1.0
297.18436	1.3
300.26105	1.3
313.57895	1.1
342.24252	47.0
343.24606	2.4
344.91418	1.2
360.25269	100.0
360.30026	6.1
361.25760	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05504	0.9
56.05040	1.8
57.03439	0.3
57.05820	0.3
58.03749	0.2
58.06601	33.0
59.05006	0.3
63.58367	0.2
63.69197	0.2
67.05505	5.6
69.07072	0.7
69.43027	1.5
70.06598	2.8
71.04984	1.0
72.08157	6.3
73.08496	0.3
77.53903	0.3
79.05485	1.2
81.07041	1.5
83.04990	1.0
83.08605	0.4
84.04539	0.3
84.08138	0.6
85.06593	0.3
86.06078	0.4
86.09718	1.3
86.10175	0.3
88.07634	0.7
90.25622	0.3
91.05476	1.2
93.07037	1.5
95.04952	0.5
95.08614	3.3
96.08146	0.6
97.06532	0.7
98.09687	0.5
98.22681	0.5
100.07629	1.0
102.05555	0.5
102.06279	0.2
105.07006	1.3
107.08595	0.9
108.08120	0.7
109.06555	0.4
109.10146	3.0
110.09669	1.1
110.59172	0.4
111.08092	0.8
118.08664	0.5
119.08597	0.9
120.08088	0.3
121.10136	0.3
123.08070	1.9
126.62550	0.2
128.10760	0.4
129.01828	0.3
131.08563	0.3
131.38898	0.2
136.11200	2.0
137.09607	0.4
144.10162	0.3
145.10120	0.4
152.10680	0.6
154.12277	0.4
163.03938	2.0
173.11790	0.3
181.04939	0.6
201.12233	0.7
205.04141	0.3
229.11868	0.8
243.13353	0.3
296.26013	0.3
298.23679	0.3
306.24258	0.5
324.25378	2.6
342.26379	4.7
343.26633	0.6
360.27417	100.0
361.23511	0.6
361.27759	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	360.2746
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
53.06024	0.2
55.01862	0.2
55.05512	1.8
56.05045	1.7
57.03443	0.5
57.84972	0.2
58.06606	47.9
59.05007	0.2
59.06936	0.7
59.36800	0.2
65.03940	0.4
67.05512	5.4
69.03436	0.4
69.07085	0.8
70.06596	2.6
70.61787	0.5
71.04990	1.5
71.05305	0.2
72.08166	3.7
72.75977	0.2
79.05502	1.6
81.03411	0.4
81.07063	7.1
81.07531	0.4
83.04986	0.4
83.08619	0.3
84.08143	0.6
85.02928	0.3
85.06558	0.8
86.06081	0.4
86.09705	1.2
87.06863	0.4
88.07645	0.5
91.05502	1.7
93.07054	0.9
95.05001	0.3
95.08628	1.3
96.08115	1.4
97.06551	0.6
98.09695	0.5
98.47585	0.2
100.07635	0.8
105.07060	1.1
107.08609	0.8
108.08172	0.4
109.06532	3.2
109.10167	1.1
110.07024	0.2
110.09737	0.3
111.08123	0.3
116.07108	0.3
117.07017	0.3
118.08656	0.6
118.45396	0.2
119.08608	0.6
120.08121	0.6
121.10123	0.5
122.09652	1.5
123.11733	0.8
131.08624	0.3
133.10156	0.6
135.11655	0.3
138.12778	0.4
144.10213	0.8
145.10152	0.2
147.11720	0.3
151.11198	0.5
174.96497	0.2
209.15442	0.3
213.12296	0.3
298.23691	0.6
306.24240	0.4
324.25385	1.9
342.26404	3.0
360.27457	100.0
361.27798	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	360.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67539	0.1
55.01865	0.2
55.05509	0.5
56.05038	0.6
57.03422	0.8
57.05820	0.6
57.07077	1.4
58.06598	0.6
65.03957	0.3
67.05495	1.3
69.03432	0.3
69.07066	0.5
69.65770	0.5
70.06589	2.2
71.05010	0.3
71.07420	0.2
71.08627	0.7
72.08156	100.0
73.08493	1.6
79.05502	0.6
81.07060	1.7
82.06594	0.3
83.08624	0.5
84.08137	0.8
85.10192	0.6
86.09730	1.0
91.05481	6.1
93.07056	0.5
95.04971	1.2
95.08604	2.7
96.08138	0.5
97.06544	0.7
98.09701	0.3
100.07624	0.5
101.08377	0.3
102.09177	1.3
105.07053	0.7
107.08596	0.2
108.08128	0.2
109.06504	0.4
109.08863	0.2
109.10185	0.5
110.09674	0.4
111.08094	0.2
112.11211	0.2
113.06008	0.3
114.09203	0.2
117.07012	2.5
119.08557	0.2
119.12360	0.2
121.10150	0.2
122.09690	0.2
124.11224	2.3
129.07013	0.7
131.08582	0.7
132.10205	1.7
135.11691	0.2
140.10704	0.4
143.08575	1.1
157.10132	0.2
158.11792	0.4
166.88962	0.2
169.15921	0.2
176.12817	4.8
185.13272	0.7
199.78574	0.2
203.14317	0.2
222.92006	0.2
241.41878	0.2
261.22217	0.2
297.22180	0.4
324.29102	0.7
342.27951	1.9
342.30255	3.0
343.30591	0.2
360.29272	21.8
361.29514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90401	0.4
53.03944	0.6
55.05518	3.7
56.05048	0.8
57.03446	4.6
57.07055	0.7
58.06604	9.5
65.03950	0.3
67.05510	5.9
68.02961	0.3
69.07066	3.3
70.06587	1.6
70.78425	0.3
71.04990	1.3
71.07369	0.4
72.08160	19.7
73.06543	0.5
73.08474	0.4
79.05497	5.6
81.03462	0.3
81.07062	24.0
82.07394	0.4
83.05029	0.6
83.08612	1.9
84.08148	3.9
85.06543	1.4
85.08916	1.7
86.09701	1.0
91.05480	1.3
93.07047	2.7
95.08611	15.6
97.06533	0.6
97.10177	1.6
98.09694	1.7
98.22611	0.7
99.08084	0.4
100.11283	0.5
105.07037	1.9
106.06087	0.4
107.08577	2.2
109.06545	0.4
109.10170	1.3
119.08589	1.6
121.10149	2.9
123.11723	1.7
124.11234	0.8
126.12778	0.6
127.07525	0.4
133.10097	0.6
135.11647	0.6
137.13248	2.4
147.11674	3.0
159.11589	0.4
165.12762	0.6
183.13831	0.6
201.14897	1.6
267.26770	0.4
305.00824	0.4
306.28015	0.5
324.28940	3.2
342.30029	45.6
343.30402	3.5
360.31073	100.0
361.26907	0.4
361.31433	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	360.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40969	0.7
53.03949	1.2
53.21123	0.7
55.05504	4.0
57.03429	2.5
58.06604	3.3
59.84981	0.6
67.05499	8.8
69.07056	4.0
70.06594	2.0
71.04984	2.7
71.07380	0.7
71.09875	1.2
72.08154	22.1
78.87083	0.6
79.05495	5.4
80.59252	0.7
81.07055	25.7
82.07384	0.7
83.08653	1.0
84.03650	0.7
84.08137	3.1
85.06535	1.9
85.08902	1.4
86.09698	1.4
91.05470	2.0
93.07046	2.7
95.08603	17.6
97.06564	1.2
97.10179	1.1
97.19794	0.7
98.09685	1.1
100.11268	0.9
105.07024	1.3
107.08600	1.6
119.08626	1.5
121.10137	1.9
123.11691	1.1
131.88571	0.6
135.11739	1.0
147.11700	1.8
147.20297	0.7
165.12744	1.3
237.14522	0.7
279.23026	0.9
323.71115	1.0
324.28864	1.4
332.72049	0.8
341.72324	1.7
342.26517	1.7
342.30005	48.5
343.30368	4.9
350.72864	2.1
359.73489	18.9
360.23575	6.0
360.31070	100.0
360.73386	1.6
361.23135	0.9
361.31430	9.9
379.01486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
56.05037	1.4
56.78730	0.3
57.03432	2.0
57.05828	0.7
57.07079	4.7
58.06600	2.0
62.74871	0.3
67.05508	4.7
69.03422	0.7
69.07060	2.6
69.50693	1.5
69.51114	0.8
70.06602	2.0
70.13701	0.3
71.04989	1.4
71.07385	0.4
71.08643	2.0
72.08156	100.0
73.08480	0.8
79.05492	1.3
81.07059	4.3
82.05621	0.3
83.04987	0.5
83.08612	1.3
84.08150	1.6
85.08890	0.3
85.10196	1.5
86.09710	1.5
91.05479	5.3
91.73070	0.3
93.07048	1.4
95.04967	6.0
95.08608	5.9
96.08193	0.4
97.06561	0.9
97.10193	0.8
100.07623	1.5
102.09180	13.2
105.07068	1.1
107.08584	1.0
108.08135	0.4
109.08865	0.4
109.10151	2.0
110.09698	0.4
111.08077	0.6
113.06036	0.4
117.07021	2.0
119.08587	0.6
121.10138	0.6
123.11707	0.4
124.11245	3.7
129.07013	0.6
131.08591	1.0
132.10202	1.2
137.13167	0.3
140.10738	0.3
143.08574	0.8
152.35339	0.4
158.22061	0.4
169.15930	0.4
176.12814	2.4
176.78856	0.4
184.18883	0.3
185.13303	0.7
188.32610	0.4
209.18881	0.4
211.20473	1.7
235.94447	0.4
246.18274	0.4
274.45285	0.3
279.23270	0.7
297.22238	0.6
322.52768	0.3
324.28979	1.5
342.30157	41.4
343.30524	3.1
360.30957	37.5
361.31967	2.5
376.68896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.32288	0.2
55.01867	0.3
55.05513	3.5
56.05039	1.9
57.03202	0.3
57.03442	4.3
57.07073	0.3
58.06602	7.1
67.05507	6.4
69.03427	0.9
69.07071	4.0
70.06591	3.4
71.05000	1.4
71.29679	0.3
72.08158	12.2
73.02914	0.8
73.08488	1.0
74.06068	1.3
79.05497	3.9
81.03403	0.3
81.07057	7.9
82.06574	0.6
83.04965	0.9
83.08607	1.0
84.04491	0.3
84.08144	4.2
85.02885	0.4
85.04016	0.3
85.06535	1.0
85.08481	0.3
85.08922	1.6
86.09706	27.5
87.05577	0.5
87.10043	1.3
88.04001	1.4
88.07655	0.4
91.05486	1.8
93.07047	3.7
94.06554	0.3
95.04958	0.6
95.08610	5.5
96.08123	1.4
97.06534	1.9
97.10170	0.6
98.02426	0.5
98.09697	4.1
99.04506	0.3
99.08103	0.5
100.03977	0.4
100.11263	0.9
102.09183	5.0
104.07118	0.6
105.07024	0.7
107.08588	2.1
108.08145	1.5
108.58199	0.2
109.06499	0.3
109.10155	1.5
110.02402	0.4
110.09680	1.9
111.04410	0.5
111.08064	0.6
111.10024	0.3
112.11252	0.6
113.09669	0.4
113.10709	0.3
114.09135	0.6
116.07112	0.3
117.07006	0.4
119.08588	1.2
120.08112	1.4
121.10147	1.7
122.09686	0.3
123.11719	0.3
124.11228	0.4
125.09617	0.3
125.16397	0.2
126.05517	0.4
126.09171	0.9
127.08709	0.8
128.10710	4.9
129.10229	1.1
129.11089	0.3
130.08632	0.4
131.08586	0.4
132.08127	0.3
132.10182	0.6
133.10089	0.4
135.11699	0.7
138.09093	0.6
140.14307	0.3
141.10191	2.1
142.08672	0.3
142.10545	0.8
142.12273	2.5
144.10199	3.5
145.10208	0.4
145.42633	0.3
146.11838	0.3
147.11743	0.5
156.10266	1.4
158.15401	0.7
161.13097	0.3
163.03856	0.2
169.09767	0.3
183.11313	0.9
184.09773	0.3
186.12419	1.7
186.14879	0.3
187.12761	1.7
199.18095	0.4
201.12354	11.2
202.12640	0.4
214.11688	0.5
215.12161	0.5
217.15439	0.5
229.11781	1.7
230.12181	0.4
230.21103	0.5
234.37294	0.3
236.75252	0.3
239.13913	1.0
280.26315	0.5
282.24356	0.4
283.04880	0.2
296.25879	0.7
314.26932	0.8
324.25372	0.5
324.28955	1.6
326.17929	0.4
342.26370	2.5
342.30090	3.4
360.27298	11.7
360.31107	100.0
360.75955	0.4
361.07010	0.3
361.27643	0.8
361.31448	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	360.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05513	2.7
56.05037	1.0
57.03440	2.3
57.05824	0.4
57.07074	0.5
58.06605	4.3
67.05504	4.0
69.07069	4.2
70.06593	2.4
70.64735	0.8
71.04992	4.2
71.07367	0.5
71.08638	0.4
72.02752	0.3
72.08157	100.0
72.98700	0.3
73.08502	1.8
79.05483	1.8
81.07059	4.9
83.04985	1.1
83.08618	3.0
84.08149	0.7
85.06530	0.4
86.09698	2.9
87.10065	0.4
91.05489	1.4
93.07056	3.1
95.04951	0.4
95.08602	3.6
97.06519	2.4
97.10181	0.6
99.04446	0.9
102.09190	0.6
105.07057	0.8
107.08572	1.7
109.10169	0.9
110.09674	0.7
111.08090	1.2
118.26856	0.3
119.08588	0.7
121.10166	1.1
123.11720	0.7
124.11230	2.5
133.10133	0.5
135.11658	0.6
149.13272	1.0
175.19983	0.3
189.50166	0.3
192.38420	0.4
195.17584	0.6
235.94202	0.8
306.27997	0.3
324.25485	0.6
324.28897	3.4
325.29166	0.4
340.51559	0.3
342.26379	1.9
342.30017	19.5
343.30453	1.6
360.31070	76.5
361.31403	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	360.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01867	0.6
55.05514	5.6
56.05025	2.3
57.03441	5.6
57.05814	0.9
57.07074	1.0
58.06604	28.3
60.41250	0.6
62.21500	0.6
63.31868	0.6
65.03963	0.6
67.05508	9.8
69.03422	0.9
69.07069	5.9
69.54127	0.7
70.06591	5.3
71.04993	2.0
71.07368	0.5
72.08156	27.7
77.28000	0.6
79.05495	6.4
81.07060	30.1
83.04972	0.7
83.08622	2.2
83.78871	0.5
84.04469	0.8
84.08151	7.2
85.06546	2.1
85.08918	2.3
86.09706	5.6
87.10036	0.7
88.07626	0.9
91.05466	2.8
92.38869	0.6
93.07043	5.0
94.80952	0.6
95.04935	1.0
95.08606	16.6
96.08119	1.5
96.08932	0.7
97.06522	0.7
97.10168	1.9
98.09695	1.8
100.07617	0.6
105.07020	3.0
107.08599	2.9
108.08110	0.8
109.10165	3.2
110.07184	0.8
110.09708	1.1
119.08577	2.0
120.08109	1.6
121.10159	2.7
123.11727	2.3
124.11269	1.3
129.10278	1.0
133.10085	1.2
135.11703	1.6
137.13225	3.1
147.11652	3.7
165.12791	0.8
197.99019	0.7
201.14920	2.6
212.20096	1.3
219.13435	0.5
233.16278	0.7
252.23213	1.5
262.25256	1.6
278.24756	4.2
280.26489	1.4
296.25754	4.5
298.27408	13.8
299.27609	1.4
305.86829	0.7
314.26880	23.6
314.30591	1.4
315.27274	2.6
324.25494	1.3
324.28976	5.1
342.26361	5.0
342.30017	48.5
343.30353	2.4
360.27307	72.5
360.31119	100.0
361.27591	6.8
361.31470	8.8
382.35889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01863	0.7
55.05519	3.4
56.05023	1.9
57.03438	2.7
57.05801	0.5
57.07077	0.9
58.06600	20.3
59.04998	0.8
63.06234	0.3
64.60064	0.3
67.05502	7.2
69.03423	1.2
69.07066	3.8
70.06583	3.2
71.04995	3.0
71.07372	1.2
71.08620	0.5
72.08153	100.0
73.08486	1.7
79.05492	3.9
81.03407	0.4
81.07054	7.2
82.06571	0.7
82.07388	0.4
83.04986	1.2
83.08611	2.0
84.08146	2.1
85.02901	0.4
85.06544	0.9
85.08913	0.4
86.06057	0.5
86.09711	4.1
88.07622	0.4
91.05476	5.5
92.05780	0.4
93.07036	4.3
95.04967	1.4
95.07376	0.4
95.08602	7.9
96.08155	0.5
97.06523	2.5
98.09702	1.5
98.29494	0.3
99.04467	0.9
100.07626	0.3
102.09184	2.0
102.38686	0.3
105.03387	4.2
105.07034	2.3
107.04915	0.6
107.08566	2.4
108.08157	0.7
109.06547	0.6
109.10157	1.8
110.07192	0.6
110.09680	4.9
110.10398	0.5
111.08083	0.9
114.09174	0.9
117.07034	1.3
119.08595	1.0
120.08141	0.4
121.06522	0.7
121.10159	1.0
123.08109	0.4
123.11682	0.4
124.11229	1.1
129.07021	1.5
131.08588	1.1
132.10208	2.6
133.06532	0.4
133.10124	0.5
135.08054	0.4
135.11662	0.7
137.09651	0.5
141.07008	0.4
143.08585	0.5
144.10202	0.6
145.10153	0.5
147.08060	0.5
149.13245	0.6
156.13837	0.6
171.11723	1.3
174.14952	1.0
176.12865	0.8
182.15442	0.5
183.96222	0.3
200.16422	3.7
204.15941	0.4
217.12373	0.4
218.17491	2.2
235.94220	0.5
306.28067	0.4
324.28870	2.5
342.24310	4.0
342.30069	16.5
343.24789	0.5
343.30444	1.1
360.25446	22.2
360.31110	80.7
361.19675	0.5
361.25745	2.2
361.31467	6.4
361.35623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.0
56.05036	9.7
57.03436	6.6
57.07068	16.3
58.06606	6.8
58.90698	2.6
60.04526	100.0
60.14631	2.7
62.06092	19.0
67.05505	26.4
67.61742	2.7
69.06747	2.7
69.07061	19.7
70.06607	4.4
71.08645	7.6
71.31447	4.1
72.02757	2.6
72.04514	21.9
72.08157	33.1
74.06054	3.6
79.05492	21.1
81.07052	27.0
82.06586	12.5
83.04975	7.5
83.08632	9.9
84.04510	3.3
85.10184	3.8
86.06067	17.5
91.04945	1.9
91.05482	55.5
93.07072	14.9
95.08603	40.7
96.08164	18.8
97.06548	8.1
97.10201	5.2
100.03963	4.1
100.11243	6.9
102.05534	17.7
102.09174	5.3
105.07054	10.2
107.04974	16.7
107.08593	9.0
109.10161	6.1
111.11718	4.5
117.07008	46.8
118.07298	3.2
118.62813	2.9
119.08579	3.5
121.10153	5.9
123.11720	4.5
126.51074	2.9
129.07021	12.9
131.08583	8.0
133.10112	6.1
135.11710	7.3
140.10664	6.8
143.08572	19.1
145.10052	3.6
157.10086	5.7
185.13289	21.4
203.14375	13.4
248.16446	11.7
254.28442	3.8
261.10571	4.2
264.26859	44.6
265.25223	16.4
270.27994	3.4
282.27930	60.3
297.22171	14.3
300.28986	12.0
304.22733	13.3
306.27954	5.7
314.00531	3.0
314.24820	13.8
324.23117	5.3
324.29016	21.5
342.24356	7.4
342.30051	71.7
360.25009	6.2
360.30914	25.5
360.37665	5.8
361.31177	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	361.1647
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.66541	1.2
53.70715	1.2
56.05026	3.4
56.96567	72.2
60.04518	1.7
69.07082	1.7
69.53989	8.5
70.06599	10.3
71.95256	3.0
72.08160	13.3
72.96050	7.4
74.06074	4.4
74.97599	1.8
75.59754	1.4
82.06596	1.3
83.90423	1.4
83.97633	2.8
84.04510	3.8
84.08145	92.2
84.96009	3.7
85.08467	2.2
86.09703	24.8
97.99131	1.5
98.23241	2.4
98.97583	100.0
99.98016	1.5
101.00915	1.3
101.07153	2.5
101.10793	2.9
110.07159	2.7
110.97551	3.0
111.09205	1.9
112.08663	1.5
116.00225	1.4
116.07088	3.9
116.98623	42.7
118.20173	1.3
124.00732	1.9
126.02265	5.8
128.61690	1.3
128.98575	2.5
129.10240	61.6
129.11218	3.1
130.04980	1.6
130.08640	2.5
132.10153	2.8
134.08163	1.4
134.99663	12.6
140.03854	8.2
141.48317	1.6
142.05360	8.0
144.03322	1.9
144.10143	1.6
147.11261	4.7
158.04929	8.7
159.11272	3.0
159.54062	1.5
160.06445	16.4
161.12833	1.6
170.04880	8.4
171.03271	10.0
173.08244	1.6
173.12872	2.4
175.11853	3.3
176.05911	2.2
178.07542	3.7
187.10909	2.2
187.14426	3.7
188.05966	13.1
189.04340	22.4
192.07100	2.1
192.98785	1.4
197.16493	3.6
198.97594	2.8
201.07687	3.6
202.08560	2.7
206.06999	33.0
207.05431	12.0
210.08240	4.6
216.98659	8.6
218.83543	1.4
224.08037	33.7
224.17757	1.5
228.17181	1.8
228.98772	1.4
230.06996	37.3
230.09167	2.5
230.15038	2.2
231.05359	1.8
234.99770	4.1
248.08063	82.8
248.61443	4.8
249.02469	2.3
249.08569	2.3
257.61951	15.5
258.11856	2.5
258.99875	3.9
259.99725	1.6
266.09091	6.6
267.03531	2.8
270.99686	6.8
277.00870	2.1
289.00751	2.6
296.14893	3.4
301.14240	11.9
305.15701	5.9
314.16107	27.5
314.66153	6.6
319.15390	82.4
320.15717	7.3
337.16452	15.8
343.23303	2.4
361.09109	2.1
361.25073	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70364	1.7
55.05506	7.2
56.05031	4.4
57.03439	2.7
58.06603	10.7
59.04980	2.4
59.06938	2.5
60.04517	4.1
60.74657	1.9
61.02930	17.1
67.05504	3.9
69.03432	17.0
69.04051	16.1
69.07066	5.9
69.33997	2.0
70.06591	92.1
71.04974	3.3
71.06929	18.9
72.04549	2.3
72.08154	53.2
73.08466	2.7
74.06086	3.5
79.05499	5.4
81.03427	3.4
81.07045	9.4
83.04970	6.0
84.04498	5.2
84.08134	17.0
85.02905	19.4
86.09702	51.9
87.10024	3.7
91.05479	5.7
93.03399	3.0
93.07046	8.1
95.08607	8.4
97.02883	3.5
97.06544	5.6
98.06072	2.0
98.23328	4.4
103.05485	1.9
104.05306	2.3
105.07034	6.6
107.04940	4.0
107.08619	3.2
109.10160	3.3
110.07201	2.7
111.04428	6.6
115.07599	2.6
115.08682	2.3
116.07088	35.8
119.08617	1.7
120.08105	62.4
121.10148	39.7
122.10474	2.0
123.04421	3.2
123.08080	4.7
123.11719	2.5
127.03954	2.7
129.10231	9.7
135.04390	11.4
135.11696	3.9
136.05103	1.8
137.09589	2.8
139.03911	12.0
139.11182	73.3
140.11557	1.9
144.10193	5.5
145.02824	2.4
145.05002	3.0
145.10199	3.9
146.11755	5.4
146.15588	1.7
150.05754	2.2
163.03918	8.4
163.11206	7.4
166.08566	1.9
181.04984	8.9
181.12227	15.6
183.14911	3.2
185.16461	10.4
187.03850	2.9
189.53127	2.0
199.13293	100.0
200.13568	3.8
205.04970	2.1
205.06680	1.8
212.14682	2.1
213.16023	6.5
214.12770	1.8
218.13683	2.5
219.14912	16.0
247.11101	9.4
247.14236	2.0
248.11371	15.3
297.07422	3.6
343.26669	5.9
344.27911	3.1
360.27472	2.3
361.07236	6.8
361.19769	6.4
361.24008	3.1
361.27554	12.8
362.25021	2.8
362.28958	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	361.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01868	3.2
55.05503	11.3
56.97265	2.6
57.07078	5.0
65.03939	3.8
67.05511	24.3
69.03427	7.5
69.07059	16.4
69.50080	16.2
71.05006	5.6
72.08144	3.3
79.05492	35.8
81.07062	37.4
83.04957	2.8
83.08616	3.8
86.08796	2.9
91.05485	59.6
93.07038	58.9
93.59026	2.5
95.04972	68.5
95.08611	17.8
97.06540	18.2
97.10168	2.6
103.05453	4.8
105.07031	100.0
107.08602	32.0
109.06527	9.2
109.10160	12.9
115.05458	8.4
116.06249	4.0
117.07001	23.1
119.08577	78.6
121.06494	7.2
121.10146	22.8
123.08074	4.4
123.11736	3.4
123.64059	2.5
128.06200	7.6
129.01828	7.5
129.06998	23.0
130.07784	8.0
131.08571	52.1
133.10133	95.1
135.08009	3.8
135.11713	14.8
141.06960	7.8
142.07777	23.6
143.08563	47.1
144.09337	10.1
145.10124	68.0
147.08076	3.6
147.11667	11.8
149.09651	4.2
153.07039	4.7
155.08531	17.1
156.09363	18.0
157.10123	42.1
158.10921	18.4
159.08029	3.5
159.11665	30.2
161.09605	15.1
161.13191	3.3
165.07014	3.7
167.08539	7.1
168.09270	2.9
169.10147	19.3
170.10915	7.2
171.11693	24.5
173.09610	7.0
173.13246	38.6
175.11287	3.4
175.14766	14.3
179.08545	10.4
180.09251	5.2
181.10114	10.6
182.10849	8.8
183.11694	13.1
184.12407	5.4
185.08199	3.8
185.13260	10.8
185.25772	2.8
187.11292	3.3
187.14816	21.8
192.09285	3.2
193.10077	7.6
194.10959	3.8
195.11687	13.4
196.12408	5.9
197.13252	12.6
199.14828	14.3
206.10924	9.1
207.11658	8.4
208.12421	3.0
209.13249	12.6
211.14824	11.6
219.11720	4.7
221.13205	10.9
222.13843	2.7
223.14775	7.5
233.13182	3.3
235.14729	4.4
236.15488	2.8
237.16313	4.0
245.13202	2.6
248.15446	2.9
251.17917	7.7
265.19540	3.8
343.23633	3.2
344.29703	2.9
360.37604	3.3
361.25211	27.4
362.30307	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	362.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.03470	0.2
55.05503	1.0
55.10235	0.2
56.05026	1.1
57.03433	0.3
57.04448	0.2
58.06601	1.8
67.04240	0.4
67.05507	1.2
68.05025	6.7
69.07072	1.4
69.20003	0.4
69.20404	1.3
70.06590	11.9
70.37502	0.2
71.04969	0.3
71.07311	0.2
72.08150	2.7
79.05486	1.7
81.03414	1.0
81.04558	0.4
81.07061	1.3
82.05301	0.4
82.06585	0.3
83.04976	0.2
83.06094	1.4
84.04487	0.3
84.08128	1.2
85.02901	0.6
86.09702	3.3
87.10037	0.8
87.73473	0.2
88.03989	0.3
91.05468	2.6
93.04499	0.2
93.07036	1.7
94.05307	2.7
95.06084	100.0
95.08592	0.8
96.04486	0.7
96.05814	0.4
96.06412	1.7
96.06940	0.5
96.08130	1.0
98.06019	0.3
98.09678	0.6
98.22648	0.5
99.04474	0.2
101.85485	0.3
103.03949	0.5
103.05476	0.4
104.05331	0.7
105.07028	1.9
107.08587	1.4
108.04479	2.0
108.08102	1.0
109.02837	0.3
109.10113	0.3
110.06033	3.3
110.07178	0.7
110.09659	0.9
112.08726	2.7
116.07125	0.4
117.06978	0.4
119.04926	0.7
119.08589	0.7
120.08106	3.8
122.09650	0.5
123.08031	0.3
126.09161	0.8
127.03916	1.1
131.08597	0.4
131.65894	0.2
133.06555	0.3
133.10104	1.6
135.08141	0.4
135.11702	0.5
136.03934	0.4
137.05904	0.3
138.06573	1.9
143.08568	0.7
144.10155	2.0
146.07376	0.3
156.10240	0.3
158.10036	0.5
161.09605	1.3
165.09123	0.3
169.13356	0.7
172.11447	0.3
178.12340	0.7
183.10191	1.0
188.10674	0.3
189.09076	0.8
190.09740	7.4
190.12364	0.6
192.07758	0.3
192.14937	1.2
193.08437	0.3
194.09280	0.3
197.12885	0.2
201.12349	0.9
201.39359	0.2
202.09761	1.3
202.12700	0.9
203.10527	7.9
203.12575	1.2
204.11101	0.6
205.08482	0.5
206.09052	0.3
206.11751	6.9
207.11989	0.2
215.13919	3.5
217.13419	0.8
218.11708	0.5
219.09996	0.6
219.14900	0.3
221.30374	0.2
224.12807	0.4
230.09265	0.5
231.09941	0.5
231.12029	0.3
232.10930	0.3
234.08672	1.6
235.10999	0.3
245.12933	0.9
263.13901	0.5
272.17578	3.8
273.17728	0.4
284.25940	0.3
298.15411	0.5
300.17041	36.3
301.17377	2.8
308.25735	1.3
318.18094	33.6
319.18381	2.3
326.23132	0.4
326.26877	4.4
327.27307	0.4
344.15961	0.3
344.27881	4.1
362.17053	17.2
362.28964	20.0
363.08511	0.4
363.17514	1.5
363.29404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.03470	0.2
55.05503	1.0
55.10235	0.2
56.05026	1.1
57.03433	0.3
57.04448	0.2
58.06601	1.8
67.04240	0.4
67.05507	1.2
68.05025	6.7
69.07072	1.4
69.20003	0.4
69.20404	1.3
70.06590	11.9
70.37502	0.2
71.04969	0.3
71.07311	0.2
72.08150	2.7
79.05486	1.7
81.03414	1.0
81.04558	0.4
81.07061	1.3
82.05301	0.4
82.06585	0.3
83.04976	0.2
83.06094	1.4
84.04487	0.3
84.08128	1.2
85.02901	0.6
86.09702	3.3
87.10037	0.8
87.73473	0.2
88.03989	0.3
91.05468	2.6
93.04499	0.2
93.07036	1.7
94.05307	2.7
95.06084	100.0
95.08592	0.8
96.04486	0.7
96.05814	0.4
96.06412	1.7
96.06940	0.5
96.08130	1.0
98.06019	0.3
98.09678	0.6
98.22648	0.5
99.04474	0.2
101.85485	0.3
103.03949	0.5
103.05476	0.4
104.05331	0.7
105.07028	1.9
107.08587	1.4
108.04479	2.0
108.08102	1.0
109.02837	0.3
109.10113	0.3
110.06033	3.3
110.07178	0.7
110.09659	0.9
112.08726	2.7
116.07125	0.4
117.06978	0.4
119.04926	0.7
119.08589	0.7
120.08106	3.8
122.09650	0.5
123.08031	0.3
126.09161	0.8
127.03916	1.1
131.08597	0.4
131.65894	0.2
133.06555	0.3
133.10104	1.6
135.08141	0.4
135.11702	0.5
136.03934	0.4
137.05904	0.3
138.06573	1.9
143.08568	0.7
144.10155	2.0
146.07376	0.3
156.10240	0.3
158.10036	0.5
161.09605	1.3
165.09123	0.3
169.13356	0.7
172.11447	0.3
178.12340	0.7
183.10191	1.0
188.10674	0.3
189.09076	0.8
190.09740	7.4
190.12364	0.6
192.07758	0.3
192.14937	1.2
193.08437	0.3
194.09280	0.3
197.12885	0.2
201.12349	0.9
201.39359	0.2
202.09761	1.3
202.12700	0.9
203.10527	7.9
203.12575	1.2
204.11101	0.6
205.08482	0.5
206.09052	0.3
206.11751	6.9
207.11989	0.2
215.13919	3.5
217.13419	0.8
218.11708	0.5
219.09996	0.6
219.14900	0.3
221.30374	0.2
224.12807	0.4
230.09265	0.5
231.09941	0.5
231.12029	0.3
232.10930	0.3
234.08672	1.6
235.10999	0.3
245.12933	0.9
263.13901	0.5
272.17578	3.8
273.17728	0.4
284.25940	0.3
298.15411	0.5
300.17041	36.3
301.17377	2.8
308.25735	1.3
318.18094	33.6
319.18381	2.3
326.23132	0.4
326.26877	4.4
327.27307	0.4
344.15961	0.3
344.27881	4.1
362.17053	17.2
362.28964	20.0
363.08511	0.4
363.17514	1.5
363.29404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12608	4.6
58.06598	11.8
68.94053	4.1
69.03415	7.7
70.06599	25.0
71.04976	7.0
71.28414	4.9
72.08175	22.2
72.08492	4.5
73.71434	4.4
79.05489	6.2
85.02911	41.2
86.03548	10.6
86.09711	5.1
90.78233	4.9
91.05476	7.3
95.53976	5.2
97.02916	11.7
105.07024	17.2
123.04450	49.0
127.03890	14.0
128.10721	5.9
133.06517	36.8
137.05988	100.0
139.41216	4.4
145.04945	9.5
165.05472	38.7
165.09134	25.8
172.10683	4.9
183.06560	7.1
183.10199	28.6
205.51537	4.4
223.15529	5.7
237.82118	4.5
241.36588	4.4
276.44815	5.2
276.76849	6.2
278.11490	10.3
344.24274	9.1
360.47516	5.1
362.25092	20.5
362.29135	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
57.03422	3.9
58.06590	7.0
61.02925	4.2
62.41644	2.4
64.84045	2.7
66.75187	2.4
67.05501	3.2
69.03427	8.8
69.70436	3.5
69.70855	9.6
70.06591	7.4
72.08145	9.2
81.03421	5.9
81.07082	3.5
84.08124	4.2
85.02903	39.7
90.63144	2.6
91.05489	3.7
97.02901	11.0
105.07028	19.2
112.91972	2.4
118.18220	2.5
122.03726	3.0
123.04440	50.8
124.04820	2.4
127.03933	7.0
128.10735	3.5
133.06499	35.7
133.07455	4.2
137.05981	100.0
138.06325	4.3
140.35335	2.2
144.10162	2.6
145.04961	10.5
157.07210	2.4
165.05467	37.7
165.09102	33.6
180.08647	3.7
183.10187	29.9
270.16180	2.7
278.11526	2.3
344.24243	4.7
344.28149	3.0
362.25046	9.9
362.29010	26.3
363.11609	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	362.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01909	1.0
53.03959	0.9
56.05036	13.0
56.96569	14.0
57.03423	1.0
58.06600	4.5
60.04530	1.0
60.05652	2.2
60.36819	0.8
64.27424	0.9
69.03420	2.8
69.07069	7.7
69.74561	3.3
70.06604	7.7
71.06926	1.2
71.95271	1.0
72.08154	5.5
73.08503	1.0
74.06075	27.9
83.06096	2.1
84.04503	37.3
84.08144	13.4
85.02905	7.1
85.08484	3.3
86.03560	3.8
86.06088	2.1
86.09702	100.0
87.10023	4.8
89.03934	1.2
97.02900	3.4
98.09697	3.0
98.97582	15.1
98.98193	1.2
101.07142	14.9
102.05539	23.3
102.35856	0.9
110.07111	1.5
110.97599	1.0
112.07654	1.3
113.07157	1.5
116.07081	2.2
116.98595	5.1
117.50399	0.8
120.06580	29.4
120.08006	1.6
123.04396	1.3
124.11206	1.7
126.09199	1.8
126.12791	1.8
127.03976	2.1
128.98627	1.5
129.06619	10.4
129.10246	8.7
130.05009	2.5
130.10603	1.9
130.93289	2.1
132.10216	1.8
134.04347	0.8
134.99689	1.2
135.04393	2.0
136.06248	1.3
140.07037	2.0
141.06607	1.5
142.12263	6.1
143.11832	4.1
145.04921	1.6
147.04309	1.0
147.11311	1.0
148.06035	6.4
152.10666	2.2
158.99742	2.0
160.09666	1.3
163.03928	6.6
164.04343	1.2
165.05463	1.1
166.08641	2.1
169.13358	1.7
170.11758	5.4
172.94351	12.7
173.12909	1.3
175.11984	1.7
177.00751	2.7
183.03175	1.6
187.14409	56.2
188.14760	2.1
190.95421	9.1
193.90163	0.9
196.82399	1.2
197.12852	19.4
197.14664	1.4
198.13179	1.7
201.00638	1.2
201.04362	1.7
201.12378	5.3
203.10257	1.8
208.96503	2.4
214.95381	23.4
214.97333	1.4
215.13910	47.3
216.14066	1.4
219.01695	4.5
222.04332	2.2
225.12405	4.7
225.14229	1.1
231.09793	2.6
232.96446	72.9
233.15057	1.5
233.96999	1.4
236.08015	2.0
237.02795	2.9
240.05431	1.3
242.93680	2.2
243.13344	7.4
245.96080	1.0
250.97517	40.8
251.97925	1.2
253.10715	1.2
255.01884	1.3
260.94571	7.5
261.14459	2.7
269.96136	2.0
273.02856	1.5
278.11267	2.8
278.95685	10.5
282.08313	1.7
287.97052	18.4
296.96805	1.3
299.11438	1.0
304.09222	1.8
305.98062	17.3
326.16965	5.8
362.02216	14.6
362.20334	4.0
362.30490	1.3
380.03275	65.8
381.03836	5.4
389.40323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76841	0.7
55.05510	3.5
58.06596	5.2
64.33939	0.7
67.05486	0.8
69.07066	2.9
70.06592	39.2
70.59955	1.5
72.08154	47.2
72.72684	0.8
79.05487	0.9
84.74888	0.7
86.09704	29.8
87.09316	0.6
92.82581	0.7
93.07011	1.5
98.21438	0.7
103.05443	2.7
116.07090	64.9
117.07438	1.8
120.08102	100.0
121.08482	3.8
137.66728	0.7
150.05847	2.8
153.70172	0.7
160.39972	0.6
163.03777	0.7
185.16505	12.2
213.15964	4.7
215.13985	1.8
219.14925	36.8
220.15312	2.3
247.14427	8.7
249.12564	1.2
251.22693	0.6
319.77927	0.7
341.44281	0.7
344.27997	2.3
362.25275	1.4
362.29028	16.0
363.29449	1.4
371.62616	0.8
379.60440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09201	0.2
56.05035	1.7
57.03432	0.7
57.07079	0.5
58.06600	100.0
59.06936	1.4
67.05501	0.7
69.49986	0.6
69.50399	0.9
70.06593	0.9
71.08611	0.3
72.08151	2.4
81.03414	2.2
81.07066	0.8
84.08150	0.4
88.07645	1.0
91.05482	2.8
93.07056	0.3
95.04993	0.4
95.08630	0.7
96.70730	0.3
102.09174	1.5
102.32816	0.3
105.07072	0.3
108.08141	0.3
114.09187	0.4
117.07034	1.0
126.09167	0.6
131.08617	0.6
132.10223	1.2
162.54054	0.2
247.05736	0.3
256.26413	0.8
299.20325	0.3
326.28607	0.6
344.25848	2.1
344.29721	2.5
345.26205	0.4
362.26746	3.8
362.30948	6.3
363.30511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2685
Annotation	U-75302
Peak:m/z	Relative Intensity
51.62326	2.1
51.88299	2.3
54.06410	2.1
56.05027	2.8
58.06605	4.3
67.05502	4.5
70.06599	2.6
70.49043	3.7
71.89843	2.2
77.12055	2.1
77.24178	2.3
80.94831	2.5
81.07049	3.7
84.08140	7.6
90.14870	2.6
95.08612	2.6
98.09709	2.6
105.22745	2.1
112.11249	2.7
122.06824	3.0
123.04441	10.5
149.06035	3.9
196.98145	2.3
317.15359	4.5
344.25803	35.7
362.22046	3.6
362.26886	100.0
363.27277	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	362.269
Annotation	U-75302
Peak:m/z	Relative Intensity
50.46322	1.1
55.05500	2.4
56.05028	2.6
58.06589	5.4
58.69276	1.2
58.71725	1.3
66.80344	1.1
67.05494	4.9
69.07078	1.6
69.38895	2.2
69.39301	5.6
70.06577	3.6
71.07326	1.3
72.08150	3.0
79.05476	1.9
81.07045	4.0
84.08137	10.6
88.07635	1.4
95.08597	1.9
96.08115	2.4
105.07034	1.5
110.09686	1.8
112.11247	1.6
123.04424	12.2
128.10760	1.4
149.05969	2.7
180.17471	1.2
209.72815	1.2
224.51617	1.2
225.45241	1.4
252.42418	1.3
299.20313	1.3
344.25839	32.6
345.26361	2.0
352.58929	1.2
362.26877	100.0
363.27231	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	362.269
Annotation	Dihydroajaconine
Peak:m/z	Relative Intensity
53.03945	1.2
55.05518	6.0
56.05039	5.4
57.03442	4.3
57.07078	0.6
57.38638	0.5
58.06317	0.8
58.06606	15.4
67.05511	11.5
68.65428	0.4
69.07069	5.0
69.20782	0.4
70.06593	5.0
71.05000	1.5
71.07376	1.7
71.10168	0.4
72.07755	1.0
72.08158	20.7
73.08456	0.5
75.41029	0.5
79.05502	4.3
81.07059	15.1
81.30450	0.4
82.06581	0.7
82.07410	0.9
83.08632	2.4
84.08147	19.4
85.06550	1.5
85.08929	1.1
86.09704	1.2
88.07633	1.5
91.05489	1.3
93.07039	3.9
95.04967	1.2
95.08611	11.7
96.08130	3.5
96.08940	0.7
97.06499	0.5
97.08900	0.7
97.10180	1.1
97.84924	0.5
98.09702	6.2
98.22645	1.1
100.11223	0.5
101.06068	0.5
102.09182	0.5
105.07018	0.9
107.04977	1.0
107.08594	2.3
107.69680	0.4
109.10141	4.3
110.09727	2.7
110.10365	0.7
111.11693	0.5
112.11232	2.7
119.08582	1.0
121.06518	1.1
121.10145	1.5
123.04433	14.8
123.11737	1.3
124.11207	0.7
127.00150	0.5
128.10730	1.9
135.04370	0.6
135.11716	0.5
147.04462	0.7
149.05965	3.0
159.01945	0.4
163.07553	1.6
169.48311	0.5
185.28853	0.5
222.22226	0.8
264.26849	4.4
280.26340	6.4
281.26776	0.6
282.27914	1.7
298.27390	2.0
300.28708	0.7
326.26886	2.5
326.30569	5.6
326.34116	0.7
327.31024	0.6
344.25928	27.2
344.31604	11.3
345.25916	2.9
345.31946	1.0
362.27005	100.0
362.32660	31.5
363.27292	11.0
363.33017	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	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
56.01626	0.9
56.05029	3.7
57.03440	1.9
58.06602	100.0
59.06932	1.6
67.05507	6.0
69.01469	6.1
69.01874	2.1
69.07074	3.1
69.98974	0.9
70.06594	3.7
71.04977	2.5
72.08157	4.0
75.95862	0.9
79.05505	2.8
81.07059	10.6
83.04993	1.2
83.08631	1.3
84.08153	1.9
85.06522	1.2
88.07613	2.2
91.05473	3.3
93.07031	4.4
95.07350	1.2
95.08607	8.1
95.22780	0.9
97.06528	1.2
100.11256	1.5
105.07031	2.0
108.08134	2.3
109.10157	1.1
110.09689	10.6
119.08593	1.5
121.10145	2.0
126.12840	1.1
136.67302	0.8
137.54663	0.9
139.03938	1.0
145.10144	0.8
147.11620	1.2
167.38249	1.0
184.89365	0.9
204.07909	1.0
210.14925	0.9
255.21251	0.9
326.26917	9.6
344.27948	50.0
345.28354	3.0
362.28998	50.6
363.29346	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	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
56.05030	1.7
57.03448	1.0
58.06604	27.8
63.85719	0.5
67.05507	3.9
69.07081	0.6
70.06595	3.1
70.86600	0.6
70.86925	0.8
72.07758	0.7
72.08155	11.1
75.00587	0.4
79.05518	3.2
81.07055	5.8
83.08650	0.9
84.04499	0.7
84.08146	2.4
85.06580	0.5
86.03550	1.5
86.09699	2.1
88.07622	0.9
91.05488	2.4
93.07046	2.6
95.08614	3.0
97.06527	0.8
100.07613	0.8
100.86131	0.5
102.05583	0.5
103.16060	0.6
105.07017	1.7
107.08602	1.5
108.08114	2.2
109.10162	1.1
110.07178	0.6
110.09682	0.6
116.07098	0.8
119.08595	1.0
120.08110	1.5
121.10149	1.0
123.07990	0.6
126.09146	1.4
128.10670	0.8
130.08679	0.8
131.08635	0.6
144.10201	5.3
198.76041	0.5
247.51300	0.6
247.88806	0.6
278.11499	0.8
308.25909	1.7
326.26892	4.4
344.24136	1.5
344.27933	14.3
345.28442	1.3
362.25406	5.0
362.29016	100.0
363.11115	0.6
363.29306	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.05513	4.5
56.05024	1.7
57.03439	3.0
57.05818	0.7
57.15745	0.5
57.49988	0.5
58.06604	13.4
67.05504	9.8
69.03455	0.7
69.07072	4.3
69.41967	0.9
69.42371	2.3
70.06597	4.8
71.04976	0.9
71.07375	0.6
71.11414	0.5
72.08158	48.9
73.08485	0.9
79.05486	5.4
81.07058	12.0
82.07377	0.7
83.04962	0.5
83.08628	2.3
84.08147	7.6
85.06541	2.0
86.09689	3.0
91.05474	1.8
93.07042	4.3
95.04949	0.8
95.08609	12.0
96.08128	1.1
97.06530	1.2
97.10142	1.2
98.09686	1.7
99.08065	0.6
100.07603	0.8
101.29568	0.6
102.09171	0.9
105.07019	1.7
107.08603	3.5
109.10157	5.0
110.09690	1.0
111.08066	0.6
119.08581	1.2
120.08095	1.9
121.10139	2.2
123.11726	1.1
131.08620	0.6
133.10106	0.6
135.11684	2.0
137.13283	0.6
138.39047	0.5
147.11726	0.6
148.61461	0.5
175.14890	0.8
187.14801	0.6
234.90204	0.7
264.26849	7.1
280.26349	13.1
281.26669	0.7
282.27994	3.2
297.90024	0.5
298.27505	3.4
300.28781	0.8
300.95084	0.5
308.25873	2.7
326.26898	6.1
326.30463	0.8
344.27896	22.9
344.31094	1.4
345.28317	2.2
362.28967	100.0
363.24582	0.8
363.29297	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05038	1.6
57.03428	0.9
58.06602	29.7
58.66384	0.2
59.06927	0.4
64.90758	0.3
67.05180	0.4
67.05508	4.1
69.03412	0.2
69.07053	1.2
70.06575	1.9
70.27913	0.3
71.04975	0.7
71.29485	0.3
71.47368	0.3
72.08157	6.0
72.61645	0.3
72.68830	0.2
79.05490	2.8
81.07054	4.1
83.04966	0.3
83.08597	0.6
84.08145	2.8
85.06577	0.5
86.09715	1.0
88.07627	0.5
91.05477	1.9
93.07043	2.6
95.04984	0.4
95.08601	3.2
96.08131	0.7
97.06525	0.9
97.10188	0.3
98.09689	0.6
100.07594	0.4
105.07011	1.3
107.08567	1.4
108.08122	2.0
109.06492	0.4
109.10156	1.1
110.07147	0.4
110.09677	0.6
111.08076	0.4
117.06999	0.5
118.08664	0.4
119.08550	0.9
120.08096	0.3
121.10136	1.2
122.09679	0.3
123.08065	0.3
124.11308	0.3
126.09167	2.2
128.10767	0.4
130.85388	0.2
131.08592	0.5
133.10121	0.8
135.11699	0.4
144.10194	8.3
144.11334	0.5
147.11659	0.3
149.13289	0.3
161.47977	0.3
173.13121	0.3
175.14743	0.7
202.95615	0.3
242.21092	0.7
282.24350	0.5
308.25745	1.6
326.26923	3.6
327.27267	0.4
344.27957	13.8
345.28162	1.0
362.28979	100.0
363.29330	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86031	0.3
55.05505	1.0
56.05035	1.1
57.03439	0.5
58.06602	14.2
67.05518	2.1
69.03419	0.3
69.07060	0.9
69.74701	0.3
69.75043	1.2
70.06588	2.9
71.05000	0.3
72.08154	5.3
79.05490	1.3
81.07069	2.0
82.06564	0.8
83.08627	0.4
84.08141	4.7
84.75933	0.3
85.06528	0.3
86.06068	0.6
86.09708	0.3
88.07614	0.6
91.05466	0.6
93.07030	0.9
95.05008	0.3
95.08595	1.1
96.08131	2.0
98.09666	1.3
98.23288	0.3
100.07609	0.6
102.17337	0.3
105.07036	0.5
107.08588	0.7
108.08120	6.2
108.33754	0.3
109.10168	0.4
110.09673	1.6
112.07584	0.3
120.08134	0.5
121.10098	0.4
124.11230	0.7
126.09158	9.7
127.09544	0.3
128.10715	1.5
130.08661	0.3
131.08601	0.3
144.10196	32.4
145.10539	0.9
163.18182	0.3
196.89189	0.3
215.13994	0.5
240.23103	0.3
284.25693	0.3
308.25879	1.2
326.26953	3.9
344.27948	9.8
345.28146	1.1
355.97195	0.3
362.28992	100.0
363.04355	0.3
363.29352	8.2
379.81982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
54.60220	0.5
55.05505	1.5
56.05040	0.8
57.03445	4.3
58.06600	5.4
59.04964	0.7
65.03938	2.0
67.05496	1.8
68.35524	0.5
69.07066	1.1
69.47393	0.5
69.47722	2.4
70.06601	2.3
71.07375	0.9
72.08157	26.1
75.67061	0.5
79.05492	4.4
81.06581	1.0
81.07059	20.1
83.08649	0.9
84.08141	5.3
85.08921	3.1
86.09708	1.2
91.05482	49.1
92.05795	0.7
93.07046	0.7
95.08598	1.7
96.08161	0.7
97.10128	0.9
98.09698	1.8
98.22620	1.0
105.07035	4.4
107.08607	0.6
115.05433	0.6
117.07013	19.9
118.07395	0.5
119.08572	1.1
121.06529	1.1
124.11227	1.0
128.06215	0.7
129.07001	8.7
131.08568	3.4
143.08583	8.2
145.10121	0.4
157.10130	1.9
185.13216	5.1
203.14235	1.1
234.89536	0.5
262.39700	0.5
299.23685	4.0
344.29468	54.1
345.29861	2.9
362.30521	100.0
363.30829	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	362.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
57.03437	4.2
58.06597	3.8
60.68438	0.5
64.14820	0.6
65.03914	1.2
67.05493	2.1
69.07042	0.8
69.29046	0.5
69.52189	3.3
70.06580	1.7
71.07387	0.8
72.07757	1.1
72.08154	20.9
78.18852	0.5
79.05489	3.5
81.07052	16.6
83.08613	1.0
84.08138	5.0
85.08912	2.7
86.09676	1.3
91.05478	40.4
92.05804	1.0
93.07042	0.9
93.67653	0.5
95.08590	1.9
97.06525	0.5
97.10177	0.5
98.09698	2.1
98.23514	0.6
104.25132	0.5
105.07016	4.6
107.04992	0.8
107.08561	0.8
115.05433	0.7
117.07007	15.0
119.08585	1.3
121.06477	1.2
124.11217	0.6
126.12788	0.6
129.07014	5.1
131.08565	3.7
143.08577	7.2
157.10182	1.3
185.13263	5.4
202.90363	0.5
203.14319	1.3
241.28630	0.6
299.23721	5.2
300.29059	0.6
344.29446	44.2
345.29980	3.2
362.30481	100.0
363.30826	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	362.3051
Annotation	R-2 Methanandamide
Peak:m/z	Relative Intensity
55.05513	1.9
56.05041	0.7
56.18865	0.4
57.03440	3.5
58.06603	3.8
65.03940	0.6
67.05502	4.1
67.91583	0.4
69.07063	1.4
70.06588	1.0
70.24358	1.0
72.08156	14.2
73.08480	0.7
79.05492	1.5
81.03399	0.5
81.07057	3.8
83.04983	0.4
83.08620	0.5
83.98464	0.4
84.08144	2.7
85.06541	0.7
85.08925	1.6
86.09693	0.9
91.05481	17.4
92.05825	0.5
93.07051	1.8
95.04972	2.2
95.08614	3.7
96.08138	0.5
97.06534	0.7
98.09697	4.5
98.10283	0.6
102.09184	3.6
105.07030	1.6
107.08588	0.4
108.08108	0.9
109.10170	1.2
112.11282	0.3
113.09646	0.5
114.09163	1.3
115.05500	0.4
117.07018	6.5
121.10155	0.5
123.11636	0.4
124.11220	0.8
126.09149	0.9
128.10744	0.7
129.07021	1.3
131.08569	7.8
135.17372	0.4
140.14406	0.5
140.58717	0.4
142.12282	2.0
143.08521	0.7
145.10165	0.8
158.15385	1.1
190.01093	0.4
217.37971	0.4
226.27463	0.4
326.28424	2.6
344.25708	1.9
344.29446	10.7
362.30518	100.0
363.30844	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	362.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.03440	5.5
58.06607	4.3
62.66198	0.7
65.03936	1.6
67.05507	1.2
69.07069	1.6
69.52547	3.1
70.06596	1.4
72.08160	26.7
79.05492	5.4
81.07063	21.2
84.08149	5.2
85.08927	2.9
86.09666	0.9
88.09035	0.6
91.05486	51.4
92.05832	1.1
93.07040	1.6
95.08607	2.0
97.10148	1.0
98.09698	2.5
98.23330	1.1
105.07043	4.8
107.08540	0.8
112.11228	0.7
115.05476	1.0
117.07021	19.6
119.08617	1.0
121.06490	1.2
129.07028	6.6
131.08533	3.3
143.08571	7.3
157.10129	1.4
170.15102	0.7
185.13205	6.1
203.14397	1.8
299.23795	3.9
344.29486	52.1
345.29800	3.8
362.30524	100.0
363.30884	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05503	1.3
57.03444	3.0
58.06606	4.0
58.49747	0.7
65.01115	0.5
65.03941	1.2
67.05497	1.8
69.07072	1.1
69.89382	0.6
69.89728	2.6
70.06590	2.5
71.07398	0.6
72.08157	23.7
77.03935	0.7
79.05496	5.2
81.07056	21.0
83.08646	1.2
84.08150	5.8
85.08929	2.8
86.09705	1.4
91.05482	49.3
92.05814	1.3
93.07027	1.0
95.08606	1.7
97.10156	0.6
98.09695	2.5
105.07034	4.0
115.05461	1.1
117.07019	19.2
118.07431	0.7
119.08577	1.1
121.06537	0.8
124.11262	0.7
128.06248	0.8
129.07024	7.2
131.08565	3.3
143.08563	7.2
157.10161	0.8
185.13269	4.8
191.73866	0.6
203.14326	2.0
258.84479	0.7
295.05609	0.6
299.23688	4.7
322.71985	0.6
344.29477	52.6
345.29877	6.0
362.30518	100.0
363.30872	9.7
366.15277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31284	0.9
52.88093	1.0
56.05037	1.8
56.96573	2.1
59.85240	0.9
60.05650	35.6
66.08733	1.0
67.36613	0.9
68.47781	0.9
69.00916	12.1
70.06586	5.3
70.74298	2.6
73.72779	1.0
81.51683	0.8
84.04449	1.0
84.08136	1.6
86.03555	100.0
86.09698	4.6
88.76546	0.9
98.97585	1.5
106.06533	1.4
111.05595	5.6
113.07128	4.9
117.05790	1.2
120.04471	3.7
132.04485	1.4
132.08031	2.2
141.06606	5.5
148.03937	3.1
150.05501	5.6
162.56982	0.9
176.07069	3.7
201.12354	1.1
202.12689	1.3
204.05708	1.0
216.98651	1.4
219.07521	1.0
231.07602	1.5
232.10803	4.7
232.96532	2.8
234.99896	1.4
245.85382	1.0
250.19431	1.0
250.97713	1.0
260.10306	8.7
267.30957	1.1
276.09869	1.4
278.11362	74.9
279.11636	3.6
296.48166	0.9
304.09265	28.6
305.09668	1.6
363.14023	2.0
364.05661	2.0
381.03641	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
53.43439	2.3
55.01855	5.3
55.05512	6.9
57.03431	8.8
58.06602	3.6
61.02929	13.0
67.05493	10.2
69.03434	19.3
69.07055	6.4
70.06600	14.0
71.04976	6.4
71.30569	2.9
72.08154	85.6
73.02911	5.1
79.05491	11.0
81.03418	10.4
81.07069	13.5
83.04962	2.9
83.08547	2.4
84.08146	7.2
85.02902	100.0
86.09702	59.5
87.04457	16.0
91.03973	2.8
91.05480	9.6
93.07048	18.2
95.04964	9.4
95.08619	20.1
96.08147	3.3
97.02895	23.4
99.04449	5.5
99.08038	2.4
101.06029	2.9
103.05508	3.0
105.03385	21.4
105.07025	5.7
107.08598	5.1
109.02874	7.8
115.03923	12.5
117.07050	3.1
119.08548	5.1
120.07235	4.8
120.08099	71.0
120.08927	5.0
121.06522	3.8
121.10142	25.9
123.04434	3.2
123.07993	3.0
124.11272	2.3
125.05994	3.4
127.03895	21.4
128.10715	2.8
131.08556	2.9
139.11185	24.7
143.08536	9.1
145.04965	34.6
145.10147	5.7
149.09630	4.9
151.11197	3.0
157.12212	3.7
157.13373	18.1
163.06038	4.0
167.10683	5.5
180.10182	37.0
185.12906	4.8
262.10928	2.5
283.16852	3.1
301.17966	2.5
319.18954	8.2
328.22736	6.9
346.23767	26.3
346.27621	3.8
364.24734	55.3
364.28500	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	364.2231
Annotation	Val Phe Val
Peak:m/z	Relative Intensity
53.03938	0.6
53.90004	0.3
55.05514	6.5
56.05033	1.1
57.05816	0.6
58.06592	0.7
59.70734	0.4
60.04531	0.5
67.05502	0.7
69.03417	0.6
69.07072	0.5
70.06594	4.4
71.06930	0.8
72.08156	53.6
73.08485	1.2
74.06083	0.5
79.05489	0.8
81.07052	0.7
84.08141	1.7
85.02886	0.9
86.09724	2.3
91.05489	1.1
93.07046	2.0
95.08618	0.9
97.06548	0.4
103.05441	2.0
105.07050	0.5
107.08604	0.8
118.08664	2.0
120.08104	100.0
121.02871	0.6
121.08427	3.7
121.10196	0.8
123.08026	0.5
129.10257	1.0
130.08591	0.4
131.08575	0.6
139.11259	0.9
149.09608	1.2
167.10675	2.3
173.12968	0.6
180.10104	0.5
185.04308	0.9
203.03134	7.3
219.14923	30.2
220.15184	1.7
247.14418	8.4
265.15460	10.5
266.15674	0.4
334.07913	0.6
364.08908	4.5
364.21481	0.6
364.25754	0.5
364.30005	0.8
365.08633	1.4
379.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2231
Annotation	Val Val Phe
Peak:m/z	Relative Intensity
55.05515	7.8
56.05035	0.6
57.05811	0.8
58.06609	0.3
67.05479	0.4
69.58021	1.7
70.06596	2.7
72.08157	100.0
72.22800	0.3
73.08489	1.5
74.06044	0.4
77.35976	0.4
80.18861	0.3
81.07053	0.6
84.08160	1.0
86.09706	2.1
98.27910	0.3
101.50806	0.3
103.05511	0.4
107.04978	0.3
107.08543	0.3
110.07150	0.5
113.96249	0.3
117.51073	0.3
120.08110	10.1
129.10243	0.5
136.07547	0.3
143.15463	0.4
166.08638	3.8
171.14931	32.7
172.15285	0.8
194.05780	0.3
199.14426	14.0
200.14757	0.4
200.63133	0.4
202.10832	0.4
219.14973	0.7
245.09453	0.5
247.14452	0.4
265.15399	2.6
282.48383	0.3
305.11359	0.4
364.17908	0.5
364.21964	0.7
364.30466	0.6
365.13538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2847
Annotation	11(12)-EpETrE-EA
Peak:m/z	Relative Intensity
54.74395	2.1
55.01870	5.7
55.05521	2.7
58.06593	5.2
60.90563	2.1
66.60356	1.9
67.05499	4.5
69.73827	8.0
70.06585	2.8
72.08161	30.1
79.05499	12.4
81.07076	14.7
83.04978	3.6
84.08147	3.5
85.08907	2.6
91.05491	7.5
93.07022	3.4
95.04989	2.2
95.08600	7.5
95.14163	2.2
97.06552	4.1
98.09697	7.6
98.22630	1.8
105.07056	3.1
107.04948	5.6
107.08601	7.2
111.04463	2.6
117.07057	3.5
119.99592	1.7
124.11169	3.3
135.08118	2.6
140.05119	1.8
147.04491	2.5
149.57649	1.9
196.16971	2.2
200.20076	1.9
247.44524	1.9
311.65628	1.8
346.27390	50.2
347.27808	3.2
364.28497	100.0
365.28946	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	364.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01877	2.8
55.05518	4.2
56.05027	2.0
57.03434	5.1
58.06602	6.3
58.56085	0.5
63.65578	0.5
65.03941	1.1
67.05175	1.0
67.05502	10.2
69.03428	1.4
69.07076	2.7
69.21053	0.5
70.06598	3.8
71.04986	4.7
71.30225	0.7
72.04549	0.5
72.08154	14.0
75.62175	0.6
79.05492	15.1
81.03415	1.3
81.06588	0.8
81.07054	12.3
83.04970	2.5
83.08611	0.9
84.08149	4.0
85.06512	1.4
86.06054	1.7
86.09691	1.1
91.05482	19.5
93.07041	12.3
94.06558	0.7
95.04957	4.0
95.08606	7.6
96.08144	1.4
96.08909	0.6
97.06533	5.8
98.09687	0.9
100.07608	3.0
103.05454	0.9
105.03372	1.0
105.07029	9.5
107.04945	1.4
107.08609	3.7
109.06514	2.2
109.10153	1.0
110.07165	1.0
110.09694	2.3
111.08079	2.2
113.08275	0.6
114.09186	0.8
115.05424	1.7
117.07030	6.5
119.08581	8.0
120.08115	0.8
121.06530	1.3
121.10131	2.3
122.09670	0.7
123.08039	1.8
123.11718	0.6
124.11217	6.0
128.06242	1.0
128.10741	0.7
129.06992	2.5
131.08583	3.4
133.10109	2.1
135.11687	1.1
141.06976	3.5
143.08604	1.9
145.10126	2.2
147.11693	2.6
155.08647	1.0
157.10115	1.7
159.11642	1.1
161.09526	0.7
161.13225	0.8
169.10040	0.6
183.11710	1.6
201.76270	0.5
270.05295	0.7
285.07623	1.4
328.26358	8.7
329.26810	0.8
346.23706	1.8
346.27402	13.3
347.18509	0.7
347.27817	1.0
364.25018	4.1
364.28461	100.0
365.10858	1.4
365.19287	4.6
365.24374	1.0
365.28812	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	364.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05523	1.1
56.05039	1.0
57.03451	2.1
57.05826	0.6
58.06605	1.4
65.03943	0.6
67.05495	2.1
69.07072	1.1
69.68755	1.9
70.06602	1.9
71.04979	0.8
71.07373	1.0
72.08158	100.0
73.08495	1.4
79.05084	0.4
79.05492	2.6
81.07070	2.5
82.35156	0.3
83.04994	0.7
83.08624	0.4
84.08149	1.2
86.09709	1.7
91.05485	23.9
93.07027	2.1
95.04990	1.4
95.08600	3.3
97.06529	2.1
98.09723	0.4
100.07614	0.6
102.09196	1.0
105.04538	0.3
105.07026	2.5
107.04950	0.7
107.08637	0.6
108.08056	0.4
109.06536	0.6
109.10172	0.6
110.09618	0.4
111.08134	0.4
115.05444	0.9
117.07016	4.3
119.08598	0.8
121.06533	0.7
124.11242	2.6
128.06229	0.7
129.07011	4.9
130.07352	0.3
131.08577	2.2
143.08549	3.3
145.10179	0.7
147.11578	0.6
157.10144	0.8
171.11694	3.5
189.12741	0.4
233.86836	0.7
328.26276	1.7
346.27405	19.1
347.27795	1.6
364.28458	66.5
365.28790	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	364.2847
Annotation	11(12)-EpETrE-EA
Peak:m/z	Relative Intensity
55.05505	1.2
55.44017	0.5
56.05030	1.2
58.06592	0.9
67.05499	4.4
69.07059	1.1
69.10329	3.5
70.06594	8.5
71.07367	0.5
72.08156	1.9
81.07063	2.3
84.08163	3.0
85.08939	1.0
86.09712	3.1
88.07625	3.5
88.77470	0.5
95.04951	1.6
95.08612	1.8
96.08132	2.2
98.09709	4.3
100.11270	0.8
109.10117	0.8
110.09679	1.3
112.11243	5.3
123.04432	30.1
124.11285	0.6
133.78612	0.4
137.05984	0.7
138.12796	0.6
149.06107	0.6
190.18231	0.5
191.18289	0.6
247.70238	0.6
267.47217	0.6
273.74866	0.6
273.77914	0.7
278.91827	0.5
304.22852	0.6
346.27402	49.2
347.27704	3.2
364.28455	100.0
365.28796	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	364.2846
Annotation	8(9)-EpETrE-EA
Peak:m/z	Relative Intensity
55.01870	0.2
55.05318	0.1
55.05517	1.6
56.05040	1.8
57.03443	1.4
58.06605	4.3
61.53410	0.1
65.03948	0.4
67.05506	3.9
69.06348	1.3
69.07047	0.7
70.06588	2.0
71.07359	0.6
72.08154	2.4
79.05482	0.3
81.07057	2.7
82.06570	0.4
83.08624	0.5
84.08143	10.2
85.06522	0.5
85.08462	0.2
85.20754	0.2
88.07623	0.7
88.77483	0.2
93.07034	0.4
95.04962	1.4
95.08599	2.2
96.08130	0.8
96.68488	0.2
97.08925	0.2
97.10165	0.3
98.09692	0.9
98.22552	0.2
100.11250	0.5
102.71191	0.2
107.04976	0.3
109.06519	0.2
109.10170	0.9
110.09700	0.4
111.10488	0.3
112.11259	1.2
118.90627	0.1
123.04427	32.4
124.04764	1.1
124.11235	0.2
135.08067	0.2
137.05977	0.5
140.12064	0.2
149.05994	0.8
163.07550	0.5
182.15413	0.3
210.14955	0.4
212.03981	0.2
218.66333	0.2
228.16046	0.2
230.40099	0.2
256.15344	0.3
264.19556	0.2
292.22763	0.2
346.27396	27.6
347.27753	2.5
364.28427	100.0
365.28787	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	364.3206
Annotation	Terminaline
Peak:m/z	Relative Intensity
55.05513	2.7
56.05018	0.8
57.03440	3.7
58.06599	9.5
58.79711	0.4
64.71345	0.4
65.03946	0.9
67.05502	4.5
69.07063	2.7
70.06593	2.4
71.07360	0.8
71.91678	0.4
72.08156	24.8
73.08446	0.5
79.05495	1.4
81.07056	6.6
83.08615	1.6
84.08135	2.9
85.06544	0.8
85.08920	2.5
86.09694	2.0
91.05480	34.4
92.05821	0.8
93.07037	0.5
95.04961	2.4
95.08597	4.9
96.08114	1.0
97.02275	0.4
97.10172	1.4
98.09693	9.2
102.09188	1.7
105.07009	2.5
109.10148	2.8
110.09662	1.0
112.11246	1.4
117.07022	5.7
119.08586	0.4
123.11719	1.1
126.86894	0.3
129.07028	0.8
129.49562	0.4
131.08574	4.7
143.08549	0.8
145.10132	0.7
150.78943	0.3
183.35992	0.4
202.19925	0.5
204.61601	0.4
328.26526	0.4
328.29941	9.6
329.30396	0.9
346.27466	2.0
346.31042	35.5
347.31424	3.7
359.03500	0.5
364.32095	100.0
365.27966	0.6
365.32471	11.1
373.64941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72958	1.0
53.03947	5.0
55.01871	2.9
55.05514	32.8
57.03410	1.4
57.07067	2.8
58.06608	2.6
60.08163	4.3
65.03935	4.2
67.05508	63.9
69.07071	27.1
69.19913	1.0
71.04990	2.7
71.08618	1.0
72.08126	1.4
73.02908	2.6
79.05493	45.0
80.05853	1.0
81.07056	60.2
82.07387	2.5
83.04975	1.4
83.08608	9.3
85.06544	2.3
86.09713	1.2
91.05482	21.2
93.07041	46.7
94.33934	1.0
95.04971	5.3
95.08604	41.6
97.06519	2.5
97.10167	3.1
99.04473	3.2
99.08065	1.8
105.04522	1.6
105.07030	8.9
107.08591	25.2
109.06506	3.4
109.10161	17.0
109.10896	1.3
111.08150	1.4
117.07036	3.0
119.08555	8.5
121.10139	15.1
123.08075	2.2
123.11696	2.8
127.07555	1.1
129.07059	1.3
131.08560	3.0
132.09438	1.0
133.10120	5.4
135.08072	1.9
135.11684	9.3
137.06793	1.1
142.84212	1.0
145.10083	3.0
147.11676	3.8
149.13266	4.5
157.10092	1.4
159.11725	3.3
161.13319	1.6
163.14822	2.2
173.13246	1.7
192.89691	1.0
305.24738	93.8
306.24945	6.5
329.24741	2.4
346.27371	4.1
347.25769	3.7
364.32098	100.0
365.27222	2.6
365.32437	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	365.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92258	4.0
70.06590	12.8
71.15742	4.2
71.28549	5.5
72.08174	8.1
84.08197	4.3
124.53453	4.2
146.03526	5.2
147.04436	12.9
171.04460	4.5
185.04207	100.0
189.05475	18.0
203.03157	26.3
203.05074	9.6
235.06021	18.7
365.08078	98.5
365.11935	26.6
365.17914	28.1
366.08575	9.4
388.61026	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.05028	1.2
69.07094	1.0
69.71188	4.4
70.06594	5.7
72.08162	9.7
77.28570	0.8
84.04486	1.3
84.08150	4.5
86.06040	1.6
86.09707	12.4
92.47310	0.9
102.05564	1.0
110.07191	1.5
116.07095	2.1
120.08104	19.2
120.08929	1.5
129.10257	3.7
136.07640	2.2
157.13385	1.8
167.10716	1.0
173.47554	1.0
182.08180	2.2
185.04213	46.9
185.12834	1.2
186.04517	0.9
203.03157	100.0
204.03497	5.0
219.14983	6.2
221.02798	1.6
226.15575	1.0
253.11809	1.2
365.08450	51.0
365.17953	2.2
366.08905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92114	0.6
56.96568	1.7
69.97218	3.2
89.37925	0.7
94.93018	1.3
98.97591	1.8
99.57816	0.7
101.00874	0.9
110.97523	0.7
112.89577	1.2
116.98614	0.9
128.98621	1.1
140.00240	0.9
142.01738	2.2
144.03163	0.8
173.02956	1.3
185.02733	1.4
185.04228	12.0
186.00742	1.1
203.03479	2.8
203.05260	26.7
204.01837	2.6
204.05560	1.2
221.04555	1.6
222.02869	2.8
245.04933	2.7
246.02921	1.2
269.56476	0.7
347.09500	3.9
365.10895	100.0
366.11356	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	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15356	0.6
61.05050	0.7
69.02146	0.8
69.12336	0.8
69.26477	4.1
70.23904	0.7
72.08164	0.8
120.08099	1.3
181.12956	0.7
185.04230	3.2
199.42479	0.7
202.05969	1.1
236.89549	0.6
365.12067	100.0
366.12418	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	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93625	0.6
67.60343	0.6
68.48626	0.6
69.60294	3.1
70.06596	0.9
81.56139	0.6
86.09710	1.0
120.08115	1.3
147.04512	0.6
183.32721	0.6
185.04231	4.9
200.51807	0.7
202.06073	1.6
203.05293	1.4
225.86168	0.7
309.64764	0.7
365.12103	100.0
366.12448	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85432	0.8
71.30087	0.9
81.07066	1.0
84.08152	1.1
92.04025	0.6
104.05701	0.6
126.32327	0.6
132.12457	0.6
179.06856	0.7
185.04214	4.3
203.06850	3.6
365.12097	100.0
366.12448	7.6
366.22400	1.1
366.26419	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	365.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
60.04515	3.0
62.60345	0.7
65.03938	0.9
67.05500	2.2
69.07057	1.0
69.43438	2.7
70.06590	3.3
72.08133	1.3
79.05492	2.0
80.04977	0.8
81.07040	2.5
84.04494	0.9
84.08141	3.6
86.09707	8.1
87.05576	2.5
91.05465	2.0
93.07043	1.7
94.06571	2.1
95.04958	1.0
98.23334	1.2
105.06986	0.8
110.09679	1.3
120.04466	1.2
120.08102	8.2
122.06020	4.3
123.06792	1.6
128.10735	5.6
129.10249	1.2
131.08524	0.9
134.05951	0.9
136.07570	2.9
137.04704	3.0
144.08034	0.8
151.06305	7.4
152.07066	95.6
153.07361	2.2
165.07085	0.9
166.08643	54.3
167.08943	2.3
173.12877	8.8
182.08185	1.7
182.09741	0.7
194.08128	100.0
195.08508	4.1
198.07831	2.3
198.09387	1.0
199.12361	1.8
201.12326	1.5
207.11234	2.7
210.09161	2.2
211.08621	1.7
212.09174	87.8
213.09738	3.2
222.07750	0.8
225.06737	1.1
227.11792	7.8
234.16824	0.9
239.07951	0.9
240.08948	2.6
241.09708	8.3
253.11606	1.2
255.11288	25.9
256.11725	1.4
273.18518	0.9
283.10782	4.2
301.11884	8.0
302.12000	1.0
316.20767	0.9
319.18994	1.1
333.10745	1.6
365.25037	1.2
366.26544	1.3
372.88242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14314	7.2
53.41601	7.3
55.05508	26.7
56.24569	8.2
56.96567	10.7
57.07077	89.3
58.06621	9.5
59.05001	14.0
67.05503	37.1
69.07082	42.8
70.45283	19.9
72.08157	27.4
79.05496	27.3
81.07059	60.0
83.08619	11.3
85.06545	64.3
91.05495	10.9
93.07034	44.4
95.04972	8.8
95.08604	46.2
97.06546	19.4
105.07056	13.6
107.08601	38.1
109.06521	24.7
109.10151	13.3
119.08585	21.9
121.10151	10.5
123.08078	19.8
131.08543	10.0
133.10107	11.3
135.08089	39.4
135.11702	30.2
145.10088	9.5
149.09689	7.9
151.07556	12.4
153.12769	12.9
165.12752	13.3
168.92361	8.2
177.12720	11.3
179.11252	8.0
226.28206	10.3
226.71783	8.2
263.20102	67.1
268.16541	8.0
279.19693	8.9
339.40125	9.6
347.25925	100.0
348.32629	14.1
351.14807	12.7
365.17099	73.5
365.27081	34.5
365.32294	22.1
366.33618	15.7
369.16138	13.0
383.17517	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
54.95951	2.7
55.01862	2.7
55.05505	12.8
55.78731	2.3
57.03446	3.0
57.07066	8.1
59.04995	4.4
65.38105	2.6
65.98141	3.1
67.05512	21.7
69.03407	10.6
69.07082	13.7
71.04971	6.0
71.07550	4.8
71.07896	2.6
72.08160	3.3
79.05500	20.6
81.07069	32.0
83.04974	4.1
83.08626	6.8
85.06532	5.0
91.05473	35.3
93.07054	36.1
95.04975	29.6
95.08606	22.0
97.06530	5.3
99.08126	2.7
103.05458	3.5
105.07031	53.9
107.08597	30.2
109.06495	12.9
109.10173	18.7
115.05466	3.8
117.07044	16.1
119.08591	46.0
121.06492	5.8
121.10147	35.4
123.08037	10.3
123.11695	6.4
128.06207	6.9
128.10733	3.9
129.07027	16.7
130.07736	3.2
131.08556	30.3
133.10106	18.3
135.08002	10.3
135.11665	8.1
140.21416	2.9
141.06956	4.7
142.07765	15.6
143.08572	30.7
144.09282	4.1
145.06445	3.2
145.10139	33.9
147.08003	5.2
147.11694	14.1
149.09546	9.8
149.13235	4.6
153.07004	4.1
155.08557	11.3
156.09315	11.5
157.10139	36.8
158.10905	4.0
159.08041	5.6
159.11699	15.3
161.09630	13.5
161.13287	4.3
165.07057	3.0
167.08553	5.3
167.10689	3.3
168.09331	5.8
169.10150	16.6
170.10925	5.9
171.11705	23.8
173.09595	4.9
173.13254	19.3
175.11110	6.3
177.12796	4.0
179.08554	7.5
180.09326	5.9
181.10133	17.5
182.10866	6.8
183.11703	25.6
185.04189	9.6
185.13333	16.1
186.10307	2.8
187.11107	7.7
187.14772	4.5
189.12660	3.8
191.14282	7.8
192.09288	6.1
193.10088	11.9
193.53810	2.7
194.10765	4.5
195.11729	19.1
196.12302	4.8
197.13206	13.5
198.13742	3.4
199.11201	5.1
199.14781	6.2
201.12694	6.7
203.14366	4.3
205.10091	5.3
206.10860	5.4
207.11687	18.9
208.12401	8.8
209.09726	4.1
209.13286	18.6
210.10429	3.2
210.13687	3.5
211.11192	3.4
211.14781	9.1
213.12753	5.4
213.23381	2.8
215.14333	3.9
219.11662	6.0
220.12413	4.5
221.13216	10.2
222.14050	5.6
223.14751	14.2
225.12646	6.6
225.16402	3.7
229.15793	5.1
231.11784	3.8
232.12419	4.1
233.13197	6.4
234.13870	7.1
235.14790	7.2
237.16377	6.7
239.14345	4.1
239.17509	2.9
241.15768	3.7
247.14764	7.5
247.39005	3.1
249.16330	12.2
251.18016	4.0
253.15860	5.4
259.14743	3.9
263.14337	3.1
263.17914	10.2
264.18524	4.3
265.15759	4.7
265.19495	4.0
267.17383	9.1
269.18964	3.3
281.19077	5.4
289.19452	3.3
291.17252	6.8
297.18454	6.4
307.20572	3.6
309.18433	4.4
329.24725	5.6
337.25342	3.6
347.23495	18.1
347.25748	12.6
365.08475	11.1
365.24655	100.0
366.25003	14.3
366.33640	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01860	2.8
55.05507	14.3
57.03452	2.2
57.07064	4.7
62.66758	2.0
67.05501	25.1
69.03427	7.1
69.07078	13.1
69.07399	2.4
69.61929	6.9
69.62321	3.6
71.04986	2.4
71.63211	1.9
72.08162	3.0
79.05494	20.9
81.07063	28.8
83.04973	4.9
83.08616	5.9
85.06535	4.5
91.05481	35.6
93.07042	35.6
94.07383	2.3
95.04972	32.0
95.08598	21.7
97.06525	7.7
102.02443	2.2
105.04504	2.0
105.07029	58.1
107.08601	25.0
109.06540	12.8
109.10152	15.0
115.05505	4.3
116.06232	3.4
117.07011	14.2
119.07773	4.0
119.08577	52.6
121.06487	6.8
121.10143	32.0
123.08068	9.0
123.11741	5.3
128.06206	7.7
129.07002	11.3
130.07777	6.7
131.08569	32.1
133.10126	20.2
135.08060	11.7
135.11697	5.1
137.09622	2.6
141.06984	8.5
142.07797	13.3
143.08560	31.3
144.09312	4.8
145.06418	3.4
145.10106	36.0
146.07233	3.0
146.10419	2.6
147.08058	7.2
147.11693	11.2
149.09605	9.7
149.13309	2.8
151.07497	10.0
153.07018	3.9
154.07765	4.2
155.08601	13.4
156.09285	10.6
157.10139	37.9
158.10812	5.8
159.08029	7.1
159.11687	17.1
161.09627	15.8
161.13223	6.0
163.11177	3.1
165.07056	4.8
166.07817	3.5
167.08539	9.6
167.10674	3.8
168.09366	6.5
169.10114	18.8
170.10909	5.4
171.08052	3.5
171.11694	21.7
172.12479	2.1
173.09641	9.2
173.13252	23.9
174.13530	2.7
175.11154	5.8
175.14813	3.3
178.07771	3.3
179.08572	10.5
180.09337	6.8
181.10107	12.4
182.10880	7.7
183.11682	22.5
184.12337	3.7
185.09566	4.0
185.13197	10.8
187.11188	8.2
187.14769	4.1
189.12688	5.9
191.14307	9.1
192.09300	6.9
193.10156	14.5
194.10875	7.6
195.07817	2.2
195.11711	18.1
196.12469	8.2
197.09528	2.6
197.13292	14.1
198.13684	2.5
199.11180	4.1
199.14861	6.0
201.12709	9.4
203.10634	2.9
203.14255	2.6
205.10167	6.4
206.10912	7.7
207.11688	24.6
208.12460	10.5
209.09679	4.7
209.13237	16.2
210.10277	3.5
210.13861	4.6
211.11157	6.0
211.14810	11.2
213.12691	6.6
213.16391	3.0
218.11086	4.0
219.11664	6.5
220.12465	6.8
221.13211	12.9
222.13957	5.7
223.11214	4.1
223.14755	9.7
224.15497	2.4
225.12723	7.9
227.14319	7.0
231.11745	4.3
233.13249	6.6
234.13927	4.1
235.14737	10.6
236.15569	3.6
237.16411	8.2
239.14348	3.4
239.17688	2.9
241.15709	4.1
243.11674	3.1
244.12444	2.7
245.13234	3.8
246.13930	3.4
247.14835	6.9
248.15390	3.3
249.16331	12.4
251.14281	4.2
251.17871	3.5
253.15878	7.9
254.33009	2.0
255.17625	3.4
259.14844	3.2
261.16544	4.6
263.14209	4.1
263.17944	10.0
264.18631	3.0
265.15942	5.6
265.19424	3.1
267.17389	7.0
269.19034	3.1
273.16318	4.6
277.15967	3.3
277.19708	2.6
279.17361	3.6
281.19003	7.0
282.19778	3.2
285.72318	2.0
291.17346	9.1
297.18530	6.1
307.20541	4.6
309.18454	4.7
317.19159	2.4
319.24310	2.8
329.22833	5.2
337.25287	4.5
347.23663	26.4
347.30875	2.1
348.23950	4.2
348.32541	3.9
365.24719	100.0
366.25226	11.2
366.29340	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.05502	13.9
55.82183	2.4
57.07058	5.6
59.04988	2.8
61.42836	2.2
65.03937	4.2
67.05219	2.5
67.05504	24.1
67.34660	2.6
69.03416	8.0
69.07066	16.7
69.49358	13.3
79.05505	25.4
81.07055	26.0
83.04991	2.9
83.08611	7.0
85.06535	6.2
91.05482	32.4
93.07045	42.4
94.07344	3.1
95.04972	53.6
95.08054	2.5
95.08608	28.8
97.06517	9.0
103.05473	2.7
105.07027	56.3
107.08587	30.1
107.09702	2.4
109.06508	9.4
109.10156	21.0
115.05435	3.6
117.07025	12.1
119.04917	2.5
119.08573	53.7
121.06523	5.0
121.10152	34.5
121.52619	2.2
123.08073	6.8
123.11716	4.1
128.06215	11.7
129.07027	17.3
130.07759	7.3
131.08569	30.2
133.06503	4.9
133.07513	2.9
133.10130	22.3
135.08049	9.8
135.11652	4.6
139.11244	2.3
141.06964	9.5
142.07787	18.5
143.08577	37.2
144.09288	7.6
145.10121	37.3
147.08035	19.2
147.11668	14.0
149.09592	3.6
153.06996	5.5
154.05597	2.3
154.07820	4.1
155.08546	16.3
156.09361	15.4
156.25412	2.4
157.10138	41.8
158.10915	5.9
159.08115	2.7
159.11722	23.5
161.09578	10.8
161.13231	3.2
165.06953	10.1
166.07715	3.4
167.08530	14.5
167.10698	5.7
168.09308	10.9
169.10091	25.3
170.10878	9.1
171.07951	2.7
171.11658	23.5
172.12318	3.2
173.09564	11.0
173.13278	20.6
178.07845	2.6
179.08566	13.8
180.09311	7.7
181.10095	24.2
182.10909	10.3
183.11678	31.4
184.12422	5.4
185.09708	3.3
185.13266	14.4
187.11166	4.5
187.14876	4.2
191.14366	4.0
192.09276	13.2
193.10083	25.3
194.10864	12.3
195.11693	27.3
196.12445	9.4
197.09525	2.7
197.13258	21.7
198.13934	4.2
199.11162	7.9
199.14787	9.7
201.12785	6.8
205.10158	7.1
206.10904	9.0
207.11662	34.0
208.12483	17.1
209.13251	32.0
210.10464	3.2
210.13892	6.5
211.11177	6.4
211.14793	11.7
213.12784	4.5
217.10120	5.8
217.15831	4.1
218.10880	5.1
219.11668	11.4
220.12379	7.8
221.13232	21.5
222.14014	10.4
223.11252	2.8
223.14809	18.7
224.15518	3.7
225.12723	12.9
225.16359	7.8
227.14297	3.2
227.17578	2.8
229.10143	3.3
231.11653	6.5
232.12453	8.1
233.13225	14.9
234.14029	10.6
235.14828	13.6
235.17001	2.4
236.15309	3.6
237.16344	8.4
238.17114	5.2
239.14334	7.1
239.17928	4.9
241.15837	3.6
243.11797	3.3
244.12350	5.4
245.13310	6.6
246.13889	2.5
247.14719	11.1
248.15486	5.8
249.12611	4.0
249.16426	23.0
251.14337	2.6
251.17973	7.4
253.15924	8.4
255.17418	4.1
257.13205	2.6
258.14108	5.3
259.14645	5.7
261.12784	3.6
261.16306	6.1
263.14426	4.8
263.17926	14.4
264.18607	5.3
265.15915	10.7
265.19659	4.6
266.21814	2.4
267.17566	7.2
273.16391	9.8
274.16986	3.3
276.15051	3.3
277.15985	3.5
277.19354	2.8
279.17328	2.9
281.18982	11.3
282.19653	3.1
283.20435	4.1
287.17877	3.4
289.19598	4.3
291.17361	13.5
297.18475	2.8
305.19034	3.0
306.19424	2.8
307.20483	3.9
309.18503	7.0
319.24023	3.7
329.22543	4.3
337.25241	10.0
347.23645	35.7
348.24002	4.5
365.24719	100.0
366.25800	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01871	3.8
55.05516	12.8
55.63697	2.7
57.07050	9.4
59.04994	2.8
65.03925	3.1
67.05505	29.6
69.03425	5.7
69.07076	13.7
69.41214	2.9
69.50436	17.2
71.04986	3.5
79.05483	21.4
81.07060	26.3
83.04961	3.5
83.08601	8.1
85.06548	6.6
87.63390	2.8
91.05476	28.3
93.07053	36.5
95.04974	43.5
95.08605	35.9
96.05271	3.5
97.06506	9.5
105.07033	42.0
107.08599	30.9
109.06512	12.5
109.10181	13.4
113.22560	2.6
115.05398	4.7
117.06983	14.2
119.07787	3.7
119.08582	57.5
119.12330	2.6
121.06516	4.4
121.10130	15.4
123.04431	2.4
123.08076	7.1
123.11716	3.1
128.06195	11.7
129.06975	10.8
130.07767	7.2
131.08571	24.9
133.10141	21.1
135.08064	12.3
135.11679	10.0
141.06993	6.7
142.07774	25.6
143.08560	45.6
144.09319	8.8
145.06505	2.8
145.10120	35.2
146.10422	2.4
147.08035	7.6
147.11673	9.7
149.09561	4.1
151.07535	4.6
153.06949	3.7
155.08585	16.4
156.09332	23.0
157.10129	69.2
158.10651	4.5
159.07999	4.2
159.11681	33.0
161.09595	10.0
161.13191	5.3
165.07040	5.6
167.08582	9.6
168.09326	8.4
169.10129	22.9
170.10892	16.1
171.11688	27.7
172.12274	3.8
173.09599	10.9
173.13261	12.0
175.11098	4.6
179.08553	11.8
180.09312	5.5
181.10144	18.3
182.10831	9.8
183.11671	23.9
185.09665	5.0
185.13261	66.1
187.11185	15.4
187.14810	17.5
191.14262	3.1
192.09268	5.2
193.10132	15.3
194.10858	9.4
195.11665	28.1
196.12396	6.2
197.13293	19.9
198.13803	3.1
199.11162	3.8
199.14781	6.5
203.14278	3.8
205.10103	3.3
205.15865	7.8
206.10883	6.6
207.11726	19.2
208.12415	13.4
209.13231	20.4
210.13890	3.7
211.14786	10.5
213.12724	11.0
213.16360	4.3
215.37875	2.8
219.11702	8.8
220.12556	3.3
221.13316	20.1
221.15193	4.7
222.13998	6.2
223.14766	21.2
224.15482	4.2
225.12741	7.3
225.16293	4.3
229.15839	2.6
231.11476	3.1
232.12451	3.2
233.13200	8.3
234.13977	4.2
235.14775	9.8
236.15485	4.9
237.12703	3.5
237.16380	14.0
238.17017	5.8
239.14203	7.1
239.17940	3.5
241.15739	3.8
245.13113	4.8
247.14700	7.8
248.15436	3.3
249.12831	4.0
249.16312	13.1
250.13504	2.9
251.17868	12.1
258.13910	3.2
261.16345	5.2
263.14178	3.2
263.17981	13.3
263.20273	3.6
265.16006	5.0
265.19440	7.2
267.17368	7.8
269.18985	4.2
273.16241	6.8
277.15894	5.5
281.18832	5.5
282.19803	3.6
283.20422	3.5
289.19409	6.3
289.37070	2.4
291.17538	7.3
299.17841	3.0
309.18423	8.8
319.24185	2.7
347.23407	34.4
348.23871	4.0
365.24689	100.0
366.25116	9.5
388.00763	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38070	0.8
53.03937	0.9
55.05524	6.1
57.07082	13.6
57.27615	1.0
67.05505	7.7
69.03432	1.3
69.07073	8.6
71.04975	1.0
71.08622	1.1
77.03970	0.8
79.05495	6.9
81.07049	10.2
83.04991	2.1
83.08605	3.1
83.57459	0.9
85.06544	8.9
88.13981	0.9
91.05484	10.3
93.07042	10.7
94.97589	0.8
95.04975	9.5
95.08609	12.2
97.06534	3.4
99.08115	1.0
105.07040	13.2
107.08604	10.5
109.06486	6.9
109.10162	4.4
111.08092	1.4
112.17740	1.0
115.05547	1.0
117.07032	3.0
119.08578	12.2
121.06474	2.3
121.10129	4.4
123.08101	6.5
124.08820	1.3
125.06036	1.5
128.06284	1.7
129.07013	3.2
131.08571	6.4
133.10095	4.6
135.08057	7.9
135.11711	3.8
137.05957	1.3
141.06990	1.9
141.09135	1.1
142.07784	3.5
143.08612	7.5
144.09340	1.6
145.10138	7.9
147.08070	1.3
147.11681	2.7
149.09660	1.5
151.07576	6.3
152.08324	7.9
155.08588	2.3
156.09348	3.4
157.10138	10.7
158.10902	1.6
159.11670	5.3
161.09627	2.4
161.13275	2.3
163.11121	1.5
165.09102	15.5
165.12839	1.2
167.08516	2.1
168.09357	1.5
169.10139	4.1
170.10931	3.1
171.11697	5.4
172.12511	1.5
173.09653	1.4
173.13232	2.4
177.12778	2.2
179.08598	2.8
179.10699	2.8
179.14299	1.8
181.10130	4.2
182.10851	1.9
183.11703	5.1
185.09650	1.2
185.13274	9.0
186.13470	1.0
187.11166	2.5
187.14839	2.7
192.09328	1.2
193.10149	3.5
193.12122	1.3
194.10992	2.6
194.13037	3.6
195.11746	4.8
195.13446	1.1
196.12251	1.9
197.09631	1.5
197.13307	5.0
201.12634	1.0
205.15843	1.7
207.11700	4.3
207.13651	1.5
208.12625	1.8
208.14496	1.9
209.13220	5.3
211.14809	2.3
213.12759	1.9
219.11699	1.3
220.12354	1.6
221.13252	5.0
221.15340	2.2
222.14037	2.5
223.14751	5.7
225.16298	1.3
233.13300	1.6
234.14056	1.7
235.14798	2.3
237.16580	1.9
238.17308	1.0
239.17894	1.2
241.16022	1.2
241.31613	1.0
249.16328	1.6
249.18633	1.5
251.17885	2.5
261.16473	1.6
263.17862	1.4
263.20126	7.2
265.15848	1.6
265.19547	1.8
273.16312	1.5
289.19659	1.6
291.17355	1.5
307.20309	1.1
309.18546	1.2
319.26181	2.8
347.26065	33.0
348.26031	3.1
365.27103	100.0
366.27527	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	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01924	0.1
55.05315	0.2
55.05607	0.6
57.06864	0.3
57.07167	1.6
62.91069	0.1
62.94949	0.1
67.05216	0.2
67.05609	1.1
68.39491	0.1
69.03510	0.2
69.06763	0.2
69.07174	0.9
71.05082	0.1
72.08256	0.2
79.05609	0.8
81.07178	1.4
83.05054	0.2
83.08739	0.4
85.06668	0.7
88.38483	0.1
91.05608	0.8
92.05900	0.1
93.07177	1.3
95.05108	0.9
95.08109	0.1
95.08746	1.4
97.06594	0.2
97.10303	0.1
99.08157	0.2
105.07175	1.1
107.08735	1.1
109.06660	1.3
109.10303	0.5
111.04550	0.1
111.08178	0.2
117.07117	0.3
119.08743	0.9
121.06621	0.2
121.10322	0.6
123.07273	0.2
123.08223	3.6
124.08852	1.9
125.06132	0.3
128.06334	0.2
129.07127	0.2
131.08705	0.5
133.10136	0.7
135.08054	0.8
135.11856	0.4
137.06129	0.4
137.09789	0.5
138.06850	0.3
139.07689	0.4
141.07028	0.1
142.07886	0.3
143.08577	0.8
145.10286	0.6
147.08139	0.2
147.11868	0.4
147.50974	0.1
147.52248	0.1
149.09706	0.3
149.13351	0.1
151.07530	4.2
151.11365	0.4
152.08324	7.7
153.08797	0.2
155.01144	0.2
155.08662	0.2
156.09464	0.5
157.10110	1.0
159.08191	0.2
159.11673	0.7
160.12636	0.1
161.09773	0.5
161.13405	0.3
163.07729	0.2
163.11304	0.2
164.08525	0.1
165.07117	0.4
165.09109	10.4
165.12903	0.3
166.09891	0.7
167.10808	0.2
169.10272	0.3
170.10997	0.2
171.11867	0.4
172.12428	0.1
173.13435	0.2
175.11354	0.3
177.09291	0.5
177.12749	0.2
178.09903	0.2
179.08946	0.2
179.10657	2.4
181.10213	0.2
181.12323	0.3
182.11032	0.2
183.11804	0.3
185.13263	0.9
187.11316	0.3
187.14856	0.2
189.13008	0.2
191.10797	0.2
191.14453	0.2
192.09410	0.1
193.10274	0.2
193.12393	0.4
193.33861	0.1
194.13011	4.4
195.11813	0.5
195.13780	0.4
196.12526	0.2
197.13440	0.3
207.11806	0.5
207.13980	1.7
208.12560	0.3
208.14378	0.2
209.13417	0.4
210.14032	0.1
211.14830	0.2
219.11810	0.2
221.13354	0.4
221.15546	0.4
223.14993	0.4
228.79156	0.2
233.13365	0.2
235.14890	0.2
235.17137	0.8
237.16373	0.2
249.16299	0.2
249.18491	1.1
261.16318	0.1
263.20126	1.9
273.16489	0.2
277.21768	0.3
281.19064	0.2
289.19147	0.2
305.24771	0.2
319.26300	1.4
320.26862	0.2
335.34857	0.1
347.25833	16.0
348.26233	1.7
365.26849	100.0
366.27151	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	366.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39199	0.7
50.77979	0.6
55.30250	0.7
56.05036	2.2
56.96567	26.0
60.04543	1.0
69.07059	0.7
69.84399	3.2
70.06595	17.3
71.06106	1.0
71.95258	2.1
72.08156	2.5
74.02429	1.4
74.06090	1.4
83.06127	1.3
84.04503	1.8
84.08145	11.4
84.96037	10.3
85.08475	1.1
86.06096	1.1
86.09699	9.4
86.27802	0.9
86.79681	0.7
91.05504	1.3
93.04528	1.5
94.94069	0.7
95.06094	2.1
97.96819	0.8
98.06056	1.4
98.22540	0.9
98.97585	100.0
110.07168	33.3
110.97571	77.8
111.97918	1.1
112.99136	7.3
116.07091	2.2
116.98621	46.5
120.01167	1.4
120.08095	2.9
122.07129	0.8
124.03936	0.8
128.98608	84.1
129.10231	7.5
129.98952	2.2
130.03230	1.0
130.05116	0.9
130.10585	1.8
131.00157	5.4
134.99654	16.1
136.06161	3.0
136.07587	4.3
138.06572	0.8
140.98592	1.7
143.00122	1.0
144.98073	2.1
146.99658	33.7
147.05806	1.4
149.01216	2.4
152.00224	0.9
153.00653	1.0
156.07693	17.5
158.99617	1.2
161.01184	1.5
162.99127	1.4
163.03891	1.3
165.00754	3.7
166.05130	0.9
166.06102	4.2
170.99640	6.7
173.12859	2.2
174.00832	4.2
178.13354	2.1
182.99652	2.2
183.14970	1.6
185.04166	2.7
186.04579	2.2
189.00737	12.8
190.13335	0.9
192.01933	58.0
193.02231	1.3
201.00703	6.2
207.01686	3.1
210.02991	40.9
220.01454	5.3
222.03181	1.1
223.15509	2.1
228.04021	3.0
234.00766	1.4
234.02977	21.1
234.12337	5.0
235.11925	4.2
236.10567	2.5
238.02426	3.1
246.02969	32.3
248.04602	4.9
249.02879	1.5
251.15089	9.5
252.04076	13.5
253.12988	3.9
264.04050	15.6
266.05658	1.5
280.03436	1.0
282.05084	1.8
306.05078	2.1
324.06165	23.4
325.06281	0.9
342.07211	31.5
343.07254	1.9
348.15927	1.2
348.20148	1.3
350.55997	0.9
366.07162	40.5
366.21249	3.4
367.07407	2.7
384.08282	15.2
385.08588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.05032	0.7
56.96570	1.3
57.03424	0.6
57.35150	0.3
57.40382	0.4
60.04532	0.6
69.03445	0.8
69.07052	0.5
70.06596	5.5
71.27877	0.5
72.08161	1.6
74.06084	0.7
80.74459	0.3
82.02917	0.4
82.99867	0.6
84.04485	1.0
84.08143	5.3
85.02906	0.8
86.09724	2.9
88.27232	0.3
95.08620	0.4
96.04451	0.4
97.02902	1.0
98.97580	3.6
101.00874	0.9
109.02840	0.3
110.03517	0.6
110.07158	3.0
110.97552	0.5
115.08749	0.4
116.98635	1.6
118.52868	0.3
119.01896	2.2
120.08106	0.9
128.04538	0.7
128.98657	0.5
129.10242	2.2
131.01964	0.5
134.99706	1.2
135.04428	0.7
136.04738	0.4
136.06123	0.3
136.07581	1.0
137.02954	0.5
138.36298	0.3
139.16066	0.3
143.03015	0.6
149.03087	1.1
156.07695	1.8
163.02649	0.6
163.03883	4.3
164.04237	0.9
166.06128	0.4
167.04149	3.9
174.02786	0.7
175.03267	0.4
175.11914	0.4
177.00952	3.3
185.04099	0.9
185.09123	0.4
186.14891	0.8
192.03658	17.6
193.03745	1.0
204.03728	0.3
204.15965	1.4
207.02354	1.3
208.01207	0.5
210.04730	75.0
211.01453	0.7
211.03105	0.4
211.04868	4.8
219.01996	3.7
221.02890	1.4
221.47220	0.3
222.03198	3.5
223.02782	1.1
225.03429	5.1
226.02455	0.7
228.05823	9.9
229.05766	0.8
233.06239	0.7
233.13181	0.6
234.04721	57.0
235.01292	0.5
235.03070	1.1
235.05058	4.0
240.04199	0.6
241.03821	0.6
243.02132	0.5
243.04634	0.4
246.04852	0.4
250.02798	0.6
251.15060	0.5
252.05779	100.0
253.02119	0.6
253.06058	7.1
253.12845	0.4
257.05191	0.4
258.05276	1.0
258.99976	0.4
259.04959	0.5
261.03101	11.0
264.03983	0.5
268.03506	0.8
270.06827	5.9
271.07156	0.5
274.97717	0.6
275.07483	1.8
278.01245	0.4
282.05228	0.6
283.00119	0.5
283.99951	0.5
284.59164	0.4
301.00751	0.8
302.01111	1.6
303.00705	0.3
306.10913	0.5
308.06912	0.7
318.05176	0.6
343.02341	0.7
366.07825	7.0
366.21094	1.1
367.06598	0.4
367.19781	0.7
384.08661	3.0
385.08340	0.5
385.12888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.21962	0.8
55.05510	6.4
56.05034	8.6
57.03447	0.8
57.05809	1.1
58.06588	4.1
60.04507	1.1
70.06577	8.3
71.06915	0.7
72.08150	42.5
73.04042	1.0
73.08484	1.0
74.06071	17.3
84.04501	9.1
84.08139	13.5
85.02887	1.1
86.09698	29.7
86.72659	0.8
87.10033	1.4
91.05466	9.7
101.07135	10.9
102.05523	2.2
102.22736	0.8
103.05463	3.0
105.07027	1.7
110.07160	4.9
116.07091	0.9
117.05757	1.0
117.07009	1.3
118.06528	1.7
119.04944	8.7
119.07333	2.6
120.08099	85.9
121.06474	1.2
121.08437	3.6
128.10736	3.8
129.10229	9.2
130.05003	1.6
130.06522	3.4
132.08061	2.2
132.10226	2.1
132.48872	0.8
136.07565	100.0
137.07907	3.4
144.08064	1.6
148.06030	2.1
156.07657	1.4
158.09630	8.5
160.07529	1.3
160.11247	1.5
166.08603	1.9
172.07608	1.6
173.12849	7.2
176.10701	5.9
177.10249	2.6
185.38895	0.8
190.08612	1.5
201.12350	6.7
201.45341	0.9
207.11276	44.4
208.11578	1.0
219.14891	2.8
221.12836	54.8
222.13066	2.7
233.16464	10.6
235.10762	7.8
240.13445	1.7
249.12338	11.2
249.16164	1.0
250.12697	0.9
251.15028	1.0
253.11859	1.2
261.15881	1.5
265.15411	3.6
267.13403	2.3
279.06699	1.0
281.14960	0.8
295.16544	4.0
348.18970	1.8
371.23062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2022
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
51.97116	0.4
60.04526	22.4
63.70701	0.4
69.02277	3.8
70.02962	1.6
70.06579	0.8
72.04528	1.3
86.09706	73.8
87.05592	16.2
87.10028	1.5
98.22628	0.9
103.05465	1.0
106.20844	0.4
112.11228	1.2
117.06587	0.6
117.95973	0.5
120.08106	33.8
121.08456	1.3
126.09158	0.8
128.10721	10.4
131.04936	0.5
132.10214	0.7
144.08057	1.0
148.20174	0.4
149.05881	0.5
162.09154	1.1
162.80583	0.4
166.08644	12.6
173.12857	100.0
174.13232	3.9
201.12341	20.1
202.12563	0.6
207.11301	6.6
211.74817	0.5
235.10783	1.3
279.16937	1.3
312.86151	0.5
366.26541	0.6
374.17538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2024
Annotation	Leu Ser Phe
Peak:m/z	Relative Intensity
55.05505	0.4
56.05032	0.7
57.05810	0.7
58.06590	0.5
60.04525	14.7
68.82874	0.3
69.07066	11.1
70.06595	1.9
70.47041	0.8
72.06478	0.3
72.08160	2.4
73.08488	0.7
79.05509	0.3
81.07050	0.3
84.04472	0.5
84.08143	1.3
85.87048	0.3
86.09704	100.0
87.05604	0.8
87.10036	1.5
88.03983	0.4
93.07045	0.3
103.05444	1.1
107.05007	0.5
107.08620	0.4
110.07165	0.9
120.08099	35.4
121.02924	0.3
121.08449	1.0
125.10718	0.6
126.69312	0.3
128.10748	0.6
129.10246	0.4
131.04927	0.7
132.08127	0.4
136.07582	0.4
144.08109	0.9
149.05974	0.7
151.00793	0.4
154.08455	0.6
155.11763	0.6
162.09190	0.7
164.07065	0.5
166.08633	24.2
167.09070	0.9
172.07524	0.3
173.12852	16.2
179.07080	0.4
190.08968	0.3
201.12344	18.5
202.12712	0.4
207.11284	4.1
235.10745	1.5
253.11829	25.0
253.15112	1.1
254.12270	1.4
263.10284	0.3
278.27249	0.3
366.20245	0.4
366.23660	4.7
367.17239	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93761	0.6
52.22026	0.5
53.03930	1.2
55.01867	1.2
55.05507	2.8
56.05033	0.8
57.03424	2.3
57.07069	0.8
58.06588	1.8
60.04526	1.3
61.02936	2.7
67.05505	7.1
69.03143	0.6
69.03434	7.2
69.07053	9.4
69.07453	4.9
69.56606	0.6
70.06595	12.8
71.04974	2.1
72.04525	0.7
72.08158	1.0
73.02913	1.2
79.05457	1.0
79.36215	0.6
80.40447	0.6
81.03416	3.4
81.07056	11.7
83.04984	0.7
83.08617	3.0
84.04492	1.1
84.08150	1.9
85.02905	17.1
85.06537	0.9
86.06062	1.3
86.09697	0.8
87.04441	1.0
91.03948	0.8
91.05486	4.3
93.07032	2.3
94.06539	0.8
95.08596	1.3
97.02895	7.2
98.09692	0.7
99.04443	1.6
105.07050	4.0
107.08607	4.6
109.02850	1.3
109.06535	0.6
109.10152	10.2
110.07172	3.1
111.08095	0.7
113.05991	1.1
115.03955	0.5
120.08110	7.8
123.11708	11.1
125.75473	0.6
126.09162	1.3
127.03928	3.1
127.07558	1.1
130.06479	0.7
133.10130	11.3
136.07559	4.1
145.04979	3.5
145.05956	0.7
145.64462	0.5
148.05994	0.8
150.12785	1.9
151.11177	8.0
168.13840	29.4
169.12267	4.1
169.14169	1.2
176.07101	0.8
177.22935	0.6
185.04245	1.2
186.14899	53.9
187.13370	0.9
187.15224	2.3
191.11815	2.2
191.21338	0.5
204.15955	100.0
205.16284	4.6
210.14859	0.7
219.11313	0.8
222.07524	0.9
228.15965	2.3
246.16954	3.5
251.14981	1.4
330.19125	3.7
343.33560	0.5
348.20264	3.2
366.08566	2.2
366.21219	15.3
367.21683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
57.07076	3.7
60.08157	4.7
63.90225	1.6
65.76269	1.3
67.05515	7.2
69.07056	3.9
70.06590	3.0
71.04991	2.0
72.08159	53.8
75.06937	1.5
76.93079	1.3
79.05466	3.4
80.94836	1.3
81.07050	5.5
84.08150	1.7
85.06511	1.6
91.05476	2.6
93.07038	5.0
95.04964	29.9
95.08610	9.3
98.09708	1.9
98.22496	2.2
102.09169	3.1
105.07053	3.4
107.08614	3.0
109.06531	2.1
109.10137	2.3
119.08620	2.0
121.10134	2.4
123.08073	2.2
130.76566	1.4
151.07545	1.8
152.08316	3.0
153.08795	1.7
165.09081	3.7
166.09438	2.3
195.13464	2.1
237.68665	1.7
289.37650	1.6
321.23987	3.4
330.27765	2.0
348.25830	7.8
348.29550	16.3
366.26437	15.3
366.30496	100.0
367.30069	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	366.3005
Annotation	Melophlin P
Peak:m/z	Relative Intensity
53.03953	0.6
54.23986	0.4
55.01856	1.0
55.05509	1.8
56.05041	0.6
57.03437	1.2
65.03932	0.8
67.05508	9.9
69.07050	1.1
70.06592	2.0
70.73409	0.8
71.04994	3.2
71.07407	0.6
72.08157	100.0
73.08494	1.8
79.05490	6.4
80.21696	0.4
81.07055	6.6
84.06688	0.4
84.08156	1.4
86.09708	2.2
88.17056	0.5
91.05493	3.3
93.07043	6.0
95.04973	1.1
95.08611	4.2
97.06538	1.7
102.09183	0.7
105.07038	1.9
107.08595	3.6
109.10166	1.3
111.08122	0.8
117.07000	0.6
119.08569	1.2
121.10152	1.2
124.11265	2.9
129.06979	0.5
131.08557	0.9
134.23489	0.4
147.11699	0.6
149.05930	0.5
149.13309	1.1
165.30672	0.4
224.18190	0.4
232.84047	0.7
330.28046	2.5
348.28964	16.9
349.29288	2.0
366.30035	54.9
367.30392	5.9
374.14236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11166	0.4
55.01885	1.1
55.05510	1.8
56.05038	0.9
57.03441	1.2
57.05821	0.6
58.06606	1.0
65.40957	0.4
67.05502	10.0
67.05839	0.8
69.07072	1.0
69.48058	0.7
69.48466	1.6
70.06599	2.1
71.04991	2.1
72.08155	100.0
73.08492	1.5
76.02766	0.4
79.05495	5.8
79.05923	0.7
81.07053	4.0
83.08617	0.7
83.87019	0.4
84.08185	0.9
86.09710	2.4
91.05476	3.8
93.07052	4.9
95.04971	0.8
95.08607	2.9
97.06537	1.3
98.29640	0.4
102.09174	0.6
105.07042	1.6
107.08595	3.4
109.10162	1.1
110.09727	0.9
111.08102	0.5
117.06986	0.6
119.08601	0.7
121.10133	1.1
124.11199	1.9
125.43681	0.4
131.08557	0.4
132.15103	0.4
143.38130	0.4
149.13242	0.8
232.83911	0.5
330.27890	1.9
348.28949	17.5
349.29333	1.8
366.30020	50.6
367.30362	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	367.1365
Annotation	(+)-Trehazolin
Peak:m/z	Relative Intensity
56.15359	0.4
62.02647	0.3
70.06604	0.8
70.59512	0.6
83.72987	0.3
86.04604	0.4
110.07225	0.5
147.85957	0.3
185.04182	1.8
204.07594	0.7
205.08403	0.8
232.62032	0.5
260.82074	0.4
268.12723	0.4
284.09488	0.3
367.10211	3.7
367.13663	100.0
368.09790	0.6
368.14032	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	367.1882
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
55.01311	1.7
56.96568	31.7
59.10683	1.8
67.05508	2.8
70.06572	2.1
70.79735	4.0
71.95251	3.3
78.18327	1.9
79.05499	4.3
81.07063	12.1
88.73483	2.2
95.08640	2.3
110.97590	5.5
119.08542	2.5
127.12369	1.9
128.98598	6.1
146.99612	4.5
157.98445	1.9
159.93893	1.8
159.99081	1.8
171.03206	1.9
185.04770	2.6
199.06398	3.3
201.04506	2.2
213.08014	9.4
217.07442	4.9
223.08565	2.4
225.07988	3.2
229.07544	4.1
231.09059	11.8
239.09534	3.5
241.11081	5.0
243.09038	2.6
247.08597	6.5
251.09579	5.0
255.09039	5.0
257.10419	2.9
259.12149	4.6
269.10602	33.2
273.09988	3.9
280.10056	2.1
287.11646	16.1
297.09970	2.6
315.11197	2.4
331.15744	7.8
349.16861	18.2
367.17880	100.0
367.30652	2.4
368.18246	6.9
385.18997	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01871	5.3
55.05515	18.9
57.03438	16.4
65.03938	1.9
66.25233	1.7
67.05510	51.5
69.03426	2.1
69.07072	31.7
70.99038	3.3
71.04990	2.1
79.05496	37.3
81.03401	3.3
81.07059	100.0
82.07397	2.7
83.04982	6.3
83.08624	10.1
85.06531	4.8
91.05479	21.0
93.05526	1.6
93.07046	26.0
95.04966	9.2
95.08611	26.5
97.06527	9.9
97.10126	2.6
99.08096	2.7
105.07027	24.6
107.04960	4.9
107.08602	16.8
109.06530	17.8
109.10192	8.6
111.08099	3.6
117.07023	6.6
119.08578	23.7
119.45418	1.7
121.06456	3.2
121.10155	11.4
123.08079	7.4
123.11733	9.8
129.07019	3.9
131.08585	11.4
133.10114	15.8
135.08084	2.9
135.11723	5.5
143.08397	1.6
145.10150	6.7
147.11691	26.2
149.09644	7.2
149.13297	7.4
151.11157	2.5
157.10118	1.9
159.11703	6.6
161.13232	4.4
163.11197	7.7
165.12735	8.1
173.13298	3.9
175.11102	2.6
177.12772	3.5
183.11780	1.8
195.13844	4.1
239.17986	4.4
247.20546	2.1
257.19107	2.6
257.76746	1.7
275.20078	27.4
276.20325	2.2
293.21106	5.6
336.08087	2.0
341.54910	1.7
349.23712	4.8
367.24789	24.6
368.25211	2.2
371.15347	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01873	8.0
55.05511	22.3
57.03441	12.1
57.07061	1.5
62.54740	1.2
65.03939	2.6
67.05506	48.3
68.05830	1.7
69.06726	2.4
69.07072	28.9
69.57346	6.4
69.75220	1.5
69.91842	1.4
71.04984	4.7
74.12714	1.4
75.99506	1.3
79.05492	38.7
80.05808	1.8
81.03445	3.1
81.07056	100.0
81.86947	1.3
82.07378	2.8
83.04974	5.4
83.08629	12.3
85.06541	1.9
90.84787	1.4
91.05482	25.7
93.07045	26.9
95.04976	12.1
95.08607	29.2
97.06541	10.2
97.10134	2.0
98.22494	1.3
99.08092	3.3
105.07031	27.9
107.04973	8.9
107.08603	16.3
109.06512	23.5
109.10172	9.2
110.45203	1.5
111.08081	6.1
114.69616	1.3
117.07059	7.6
119.08582	16.2
121.06492	4.7
121.10120	12.2
123.08061	8.6
123.11694	6.8
125.09630	2.1
129.06949	2.7
131.08572	9.9
133.06448	1.6
133.10129	15.4
135.08046	3.8
135.11700	7.2
137.09593	3.8
143.08562	2.0
145.06480	1.5
145.10109	7.0
147.11708	20.6
149.09639	9.4
149.13246	8.9
151.11188	3.8
157.10149	3.3
159.11690	7.5
161.13239	2.9
163.11224	7.6
163.14821	2.2
165.12755	6.1
173.13246	3.7
175.11177	4.0
175.14798	1.8
177.12752	2.6
191.14284	2.1
193.12167	2.0
215.17877	1.4
229.19524	2.9
247.20561	3.7
257.19019	5.1
263.41238	1.3
275.20065	39.5
276.20303	1.9
279.00995	1.4
283.35590	1.3
293.21091	3.8
349.23737	10.8
367.24863	19.5
368.25342	1.5
393.01031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.16231	2.7
55.01872	8.8
55.05511	28.5
56.05042	5.2
57.03443	20.1
57.07063	4.4
58.06601	71.3
59.04993	12.5
59.06931	6.3
65.03937	4.6
67.05507	72.5
69.03435	4.9
69.07072	33.1
70.06590	14.3
70.07415	2.8
70.92261	6.2
71.04997	10.3
72.08158	33.6
73.08482	4.4
75.92583	2.8
79.05494	56.6
80.02785	2.8
80.05839	3.1
81.03412	3.5
81.07057	100.0
81.07523	6.2
82.07375	3.6
83.05003	10.2
83.08640	9.2
84.08149	12.0
85.06542	4.6
85.08942	3.0
85.37311	2.6
86.09708	6.4
88.07634	5.1
91.05480	51.0
92.05779	3.6
93.07049	52.1
95.04999	14.0
95.08611	52.2
96.08932	3.2
97.06535	17.8
97.10178	6.3
98.09699	6.4
99.08082	3.5
105.07032	39.2
107.04976	8.0
107.08593	30.3
108.08149	2.8
109.06528	12.7
109.10166	22.3
110.07191	13.8
110.09714	5.7
111.08065	5.6
117.07030	12.0
119.08557	30.9
120.08906	4.1
121.06541	7.4
121.10165	19.7
123.08084	11.3
123.11713	9.1
125.05979	4.7
125.09698	5.2
129.05441	3.0
129.07013	4.6
131.08572	21.7
133.10147	24.6
135.08046	7.9
135.11710	11.8
137.09645	7.8
139.07594	3.2
143.08601	4.7
145.10117	24.1
147.11708	22.8
149.02382	10.9
149.09584	13.3
149.13249	8.9
150.02684	5.5
151.11169	4.6
157.10146	6.2
158.86414	2.6
159.11690	13.5
161.13292	5.7
163.11154	10.3
169.10211	3.9
173.11852	2.6
173.13278	6.5
183.11626	3.4
185.13289	4.4
189.12784	4.0
193.05040	9.7
194.05334	11.6
197.13199	3.1
200.20143	4.0
201.20442	4.1
205.12393	3.3
213.16431	3.9
224.16240	3.0
229.19406	2.8
238.93793	2.6
239.18062	4.7
246.07874	3.2
247.20638	7.3
257.18976	6.8
275.20074	55.3
276.20248	3.1
293.21030	5.4
331.28320	5.8
349.23996	10.8
349.29367	32.9
350.26804	9.0
350.30624	13.8
367.13260	8.0
367.20908	43.9
367.26175	32.2
367.30499	29.9
368.27765	17.8
368.31839	21.5
377.36130	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01876	6.4
55.05512	26.9
56.05019	1.8
56.63327	1.8
57.03441	15.8
57.07065	3.8
58.06615	10.6
58.06838	2.1
59.04998	4.7
65.03953	2.8
67.05505	59.9
67.99670	1.7
69.03435	5.9
69.07073	36.2
70.06595	6.9
71.04993	5.3
71.30186	3.5
72.08155	23.8
76.76924	1.8
79.05494	46.6
80.05845	2.1
81.07061	100.0
82.07391	3.1
82.91520	1.9
83.04974	5.7
83.08624	18.7
84.08166	5.9
85.06563	5.3
85.08917	2.8
86.09711	3.8
89.31189	1.8
91.05476	42.5
92.05814	2.1
93.07046	42.0
95.04968	9.2
95.08611	51.3
96.08914	2.1
97.06542	12.3
97.10165	4.1
98.09683	3.5
99.08100	6.8
100.11264	9.1
105.07035	32.4
107.04952	5.9
107.08591	26.7
109.06507	16.1
109.10162	17.7
110.07167	10.8
111.08105	4.7
117.07008	10.6
119.08588	30.1
121.06482	2.6
121.10150	16.5
123.08076	10.4
123.11710	8.6
125.09626	3.1
128.10722	5.0
129.07011	3.2
131.08595	11.7
133.10129	20.2
135.08046	5.1
135.11707	7.6
137.09601	5.2
143.08641	3.1
144.09229	2.2
145.10121	16.1
147.08125	2.3
147.11690	20.1
148.48244	1.8
149.02408	3.4
149.09619	9.6
149.13231	9.5
150.02721	2.4
151.11227	3.9
155.08566	2.5
157.10150	4.3
159.08131	2.3
159.11687	14.4
161.09637	4.1
161.13217	4.0
163.11224	5.4
164.11847	2.4
165.12769	5.6
169.10143	4.1
171.11716	3.9
173.09749	1.9
173.13316	5.6
175.11221	4.0
177.12814	4.7
182.15413	4.6
183.11624	2.9
187.11288	2.6
191.14218	2.4
193.05008	4.4
193.12210	3.1
194.05206	2.8
195.13783	2.4
197.13246	2.5
199.17953	3.2
201.16592	2.1
201.20468	2.5
213.16313	2.1
215.17921	2.8
229.19479	2.2
239.17935	3.1
241.12300	3.1
247.20619	3.2
257.19092	7.2
275.20059	43.6
276.20328	3.2
293.21030	6.0
317.47940	2.2
331.28116	4.9
349.23862	5.9
349.29306	17.1
350.16110	4.8
350.30566	14.2
360.58371	2.4
367.13028	2.9
367.16757	4.1
367.20435	15.4
367.24832	21.1
367.30368	18.3
368.17340	3.6
368.28473	2.6
368.31662	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87750	5.9
55.01888	9.1
55.05507	15.5
57.03429	15.4
57.39304	4.8
57.50734	5.4
59.05002	100.0
67.05508	46.3
69.07080	15.3
71.28693	7.7
72.08155	13.9
75.58723	6.0
79.05493	32.1
81.07055	69.4
83.05016	7.8
83.08666	10.6
84.04510	6.9
91.05475	30.1
93.07057	31.6
93.53960	5.9
95.04977	10.7
95.08619	25.4
97.06502	6.8
100.11261	14.7
100.17344	6.2
105.07040	23.9
107.08581	15.2
109.06516	8.4
109.10165	12.1
112.46716	5.4
117.07027	10.1
117.09133	21.8
119.08603	16.7
121.10143	10.5
123.11694	6.1
125.33427	5.5
131.08560	16.1
133.10094	12.2
135.11700	9.8
137.06055	5.9
145.10095	9.2
147.11678	17.0
149.13277	7.9
154.12273	12.6
159.11771	10.0
160.31888	5.4
170.15472	10.6
171.11636	7.5
172.58351	6.0
177.31859	6.0
177.82095	6.6
180.95259	5.9
184.01619	5.4
198.14944	7.4
275.20114	26.6
281.18536	7.9
302.40152	7.2
349.29346	33.7
350.30569	9.0
367.16385	6.6
367.20767	18.9
367.24835	14.3
367.30396	10.5
368.31833	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.8
53.03940	4.8
55.01870	10.7
55.05511	25.4
56.96570	3.2
57.03440	18.3
57.07084	1.9
58.06602	20.0
65.03945	4.9
67.05506	55.0
69.03421	6.5
69.07071	28.5
70.06597	6.3
70.32141	3.0
70.32478	4.2
71.04996	6.2
72.08161	27.4
73.08498	3.9
79.05497	46.8
81.03449	1.8
81.07057	100.0
82.07381	4.0
83.04984	9.1
83.08615	9.8
84.08159	4.7
85.06542	5.9
86.08852	2.1
91.05482	40.1
93.07048	42.8
95.04971	11.2
95.08611	44.7
97.06535	15.6
97.10192	4.0
98.09697	3.5
99.08080	4.7
103.05471	2.5
105.07024	35.5
107.04960	6.9
107.08588	26.1
109.06526	16.4
109.10150	18.3
110.07146	6.7
110.09669	2.5
111.08083	6.8
113.06016	1.8
117.07027	7.8
119.08587	29.0
121.06490	5.2
121.10149	20.0
123.08069	8.3
123.11706	8.1
124.11230	2.1
124.30100	2.0
125.09615	5.2
126.12585	1.8
128.10727	6.6
129.06987	6.5
129.11050	2.5
131.08578	13.6
133.10132	20.9
135.08057	5.8
135.11716	11.4
137.09631	5.2
139.07520	1.9
143.08557	5.1
144.10239	2.1
145.10135	19.0
147.11690	20.5
149.09586	11.9
149.13260	6.3
151.11177	6.0
157.10127	7.4
159.11671	11.0
161.09631	3.1
161.13268	6.2
163.11194	7.8
165.12775	4.4
169.10176	2.2
171.11647	3.4
173.09714	2.1
173.13246	7.0
175.11188	4.4
179.14334	2.6
180.49071	1.9
183.11699	2.8
185.13400	2.3
187.11122	2.7
187.14841	3.0
189.12759	2.8
193.12340	3.0
195.13791	2.6
197.13306	2.5
199.14854	2.1
229.19576	5.0
233.19040	2.2
239.18054	3.7
247.20535	3.5
257.19009	6.6
275.20071	48.6
275.23013	4.1
276.20419	3.2
282.75882	1.9
293.21240	4.5
323.19455	1.8
331.28427	2.3
349.23193	11.2
349.29370	16.2
350.26822	4.3
350.30640	5.5
367.13647	2.9
367.17831	2.1
367.20850	26.9
367.25162	21.6
367.30386	28.5
368.13705	2.8
368.27887	6.1
368.31625	9.9
385.19003	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30277	2.2
53.03942	6.3
55.05508	22.5
57.07069	10.3
65.03932	3.2
67.05504	42.3
67.88358	2.2
69.03416	7.0
69.07073	27.4
71.04987	8.4
79.05494	36.4
81.07056	56.9
83.04993	6.2
83.08617	9.7
85.06543	3.5
85.10173	2.8
89.66643	2.6
91.05480	52.6
93.07043	75.6
95.04974	29.7
95.08046	4.1
95.08609	51.7
95.37703	2.8
97.06522	16.2
99.08022	2.5
103.05486	4.2
105.04523	2.8
105.07024	85.5
106.08656	3.5
107.04935	3.8
107.08588	57.1
109.06500	11.4
109.10155	45.4
111.08131	3.6
115.05492	7.2
116.06228	4.1
117.07001	17.1
119.08579	100.0
120.08857	2.8
121.06489	8.8
121.10152	40.1
123.08060	8.8
123.11707	13.9
128.06229	10.5
129.06984	13.7
130.07797	7.8
131.08568	57.5
133.10123	57.7
133.11063	4.4
134.13492	2.6
135.08064	14.7
135.11690	21.0
137.09625	8.1
141.06990	6.9
142.07793	17.0
143.08559	41.3
144.09317	10.0
145.10115	59.7
146.07240	8.1
146.10884	3.2
147.08044	8.6
147.11659	19.7
149.09624	13.5
149.13222	6.7
155.08591	15.0
156.09380	12.1
157.10115	46.9
158.10834	7.1
159.08031	5.1
159.11676	39.1
161.09619	42.6
161.13237	6.6
163.11188	6.0
163.14774	3.2
167.08546	7.1
168.09346	4.4
169.10091	18.4
170.10852	7.3
171.11696	25.8
172.12460	3.2
173.09610	5.2
173.13269	26.7
175.11209	7.2
175.14842	18.6
179.08533	10.3
181.10103	8.1
182.10925	4.7
183.11699	25.0
184.12433	4.5
185.13243	20.0
187.14767	15.5
189.12820	4.0
193.10117	4.6
194.10899	10.1
195.11697	12.9
196.12465	3.1
197.13274	16.8
198.13940	3.0
199.11154	4.0
199.14821	13.4
201.12604	3.4
201.16400	7.0
207.11667	4.3
209.13255	16.9
210.13808	4.1
211.14818	10.4
213.12724	3.5
213.16339	5.1
221.13275	3.6
223.14883	5.7
225.16374	6.3
227.14246	17.6
234.13950	2.9
235.14902	4.2
237.16431	4.4
239.17975	7.9
241.19493	3.5
251.17821	2.7
252.18596	3.0
253.19630	3.3
255.17471	4.5
257.19064	4.4
265.19510	4.4
267.17416	5.9
269.18979	3.9
284.21094	3.8
331.26404	2.9
367.26282	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01863	1.4
55.05510	12.4
57.07082	5.7
66.31378	0.9
67.05509	13.0
69.03415	1.1
69.07071	20.4
69.50912	1.9
69.51312	2.9
71.04990	1.5
71.08631	14.0
79.05492	8.4
81.07059	22.7
81.99481	0.8
83.04981	3.0
83.08629	8.3
85.02890	1.3
85.06558	2.4
91.05477	6.4
92.25103	0.9
93.07043	11.9
95.04973	1.8
95.08611	21.0
97.06549	2.6
97.10172	3.5
99.08103	15.3
105.07049	6.2
105.94766	1.0
107.08607	11.3
109.06538	7.8
109.10150	11.2
111.04514	1.2
111.08075	3.1
119.08588	6.2
121.06474	2.1
121.10161	9.4
123.08072	27.3
123.11729	3.3
125.06012	3.9
125.09659	1.4
128.10745	2.1
131.08603	2.5
133.10130	8.8
135.08023	4.7
135.11685	5.5
137.09624	3.5
137.13255	2.5
139.07465	1.2
145.10147	3.3
147.11725	3.5
149.09657	2.4
149.13272	4.3
151.14775	1.1
153.12714	6.6
159.11694	1.1
161.13246	2.0
163.11128	1.0
163.14882	1.0
165.12819	1.5
171.39427	1.1
175.14876	2.4
176.79979	1.3
177.12816	1.3
179.14320	36.6
180.14653	1.5
181.12184	1.3
189.16399	3.2
191.14365	3.6
193.15903	2.5
201.16318	1.0
205.16147	1.1
219.17465	1.7
249.54350	0.9
251.20064	10.3
293.21161	10.9
293.28323	5.2
303.26819	13.0
321.27890	6.3
331.26315	41.1
332.26599	3.5
349.27365	100.0
350.27615	9.6
367.28537	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	368.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55511	0.2
55.01867	0.3
55.05514	0.3
56.05031	0.3
58.06591	0.3
65.03947	0.9
65.57803	0.2
69.03432	1.6
69.07047	0.4
70.06588	3.0
71.29514	0.2
72.08152	1.7
72.35146	0.2
73.15414	0.2
75.77557	0.2
77.03949	0.4
79.05492	0.3
81.03410	0.9
81.07063	0.2
83.04967	0.3
83.06101	0.6
84.04494	0.4
84.08154	1.3
85.02921	1.3
85.04030	2.1
86.09699	1.8
86.29832	0.2
91.05479	33.5
92.05811	1.0
93.04522	0.4
93.81728	0.3
94.06530	0.2
95.06095	0.3
95.08585	0.3
96.08164	0.3
97.02883	0.8
104.35736	0.2
105.07034	0.7
107.04944	2.4
107.08613	0.3
108.08115	0.4
109.02869	0.5
109.06514	0.9
110.07162	6.0
114.09174	0.8
115.05464	0.7
117.05691	0.3
117.07011	0.3
118.06542	5.8
119.04942	23.2
119.08543	0.5
120.05291	0.6
120.08118	1.4
121.06425	0.4
121.08420	0.3
127.03928	0.7
129.10251	0.5
130.06531	4.6
132.08095	4.2
133.10120	0.8
135.08113	0.3
136.07573	100.0
137.07904	4.1
137.09552	0.3
138.06631	0.4
142.06531	1.0
143.07288	0.5
144.08076	5.5
146.06004	18.7
147.04434	3.2
147.06326	1.0
147.08038	0.3
147.09163	0.7
147.11693	0.5
149.09610	0.6
151.11197	0.6
156.07771	0.7
157.03981	0.3
159.08037	0.6
159.09172	7.2
160.07587	0.5
161.13290	0.3
162.05540	0.4
163.08707	0.5
164.11821	0.4
166.06207	0.3
167.07141	0.2
170.05994	2.7
174.10448	1.4
175.03886	4.4
178.13419	0.5
180.97298	0.3
188.07060	36.7
189.07440	1.9
189.12726	2.8
191.08150	2.7
191.14337	0.5
193.99670	0.2
205.09727	23.0
206.08397	0.2
206.10020	1.2
207.06525	8.6
207.13783	0.9
223.15535	0.3
237.13516	0.5
245.09096	0.8
251.15013	0.9
255.14458	0.4
260.10675	2.9
279.14981	0.4
282.15268	0.3
306.11215	0.7
322.15402	1.0
323.13815	2.6
324.15549	0.3
350.14935	0.3
351.13864	1.2
368.15945	6.4
368.20792	1.0
368.28055	0.4
369.11398	0.3
369.15585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1606
Annotation	H-TYR-TRP-OH
Peak:m/z	Relative Intensity
51.02401	0.3
51.28198	0.3
52.74706	0.3
54.86674	0.3
55.05516	0.9
58.06647	0.4
60.05632	0.4
65.03930	0.7
67.05492	0.3
69.03433	2.4
69.07074	0.4
69.16869	2.8
70.06604	2.5
71.04984	0.4
72.08163	1.5
73.09665	0.3
74.06081	0.3
77.03951	0.3
81.03401	1.2
81.07066	0.5
83.04978	0.4
83.06128	0.3
84.08141	0.6
85.02915	2.1
85.04021	2.1
86.09705	1.6
91.05482	36.6
92.05804	1.0
93.07064	0.7
95.04971	0.7
95.06123	0.3
95.08598	0.4
96.08125	0.8
97.02903	1.4
98.23444	0.6
99.04444	0.5
99.53416	0.3
103.05482	0.4
105.04311	0.3
105.07030	1.6
107.04967	2.0
107.08606	0.9
108.08107	0.5
109.02891	0.5
109.06526	1.0
110.07167	5.7
114.09170	3.1
115.05487	0.7
117.05799	0.3
118.06545	6.5
119.04944	24.8
119.08610	1.7
120.05300	0.4
120.08107	0.8
121.06477	1.0
121.10153	0.8
127.03889	0.8
129.10213	0.4
130.06532	4.8
131.08546	0.4
132.08089	3.4
133.10159	2.3
135.08051	0.9
136.07576	100.0
137.07928	3.8
137.09590	0.6
142.06531	0.8
143.07336	0.6
143.08542	0.5
144.08072	6.5
145.05032	0.3
146.06010	19.1
147.04433	3.4
147.06314	0.8
147.08026	0.5
147.11684	1.0
149.09647	1.4
151.11131	1.5
156.07732	0.6
156.09329	0.4
157.03998	0.6
159.08031	1.7
159.09193	6.3
160.07576	0.7
161.09613	0.6
161.13252	1.2
162.05457	0.5
163.08670	0.5
163.11195	1.0
167.07121	0.4
170.06024	3.1
171.11617	0.8
174.10402	4.3
175.03899	5.7
188.07068	39.6
189.07460	2.1
189.12744	10.4
191.08195	2.6
191.14313	1.4
193.35187	0.3
205.09726	24.6
206.10034	0.9
207.06523	10.4
207.13794	3.3
211.10620	0.4
223.15584	0.6
237.13467	0.5
245.09285	0.8
246.09175	0.4
251.15056	0.9
255.14655	0.3
260.10690	3.0
306.11200	0.9
322.15555	1.4
323.13821	2.9
351.10034	0.4
351.13544	0.9
368.15582	4.4
368.19949	1.2
369.15646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.0
55.05508	13.8
57.03440	1.6
61.02908	2.7
65.79853	1.8
67.05499	4.2
69.03423	8.0
69.07050	2.5
70.06599	8.1
70.67168	4.1
70.67510	2.0
72.08140	8.2
79.05472	5.6
81.03421	6.0
81.07050	5.4
83.06100	1.8
83.08623	8.3
84.08133	6.1
85.02905	13.8
86.09689	7.9
91.05476	8.9
93.07047	2.5
95.08600	1.9
97.02901	4.3
97.10167	26.0
99.04459	2.8
105.07027	2.1
107.08594	6.0
109.02878	4.1
110.07169	23.1
114.09174	1.8
115.12291	1.7
119.04939	4.9
120.08096	7.4
125.09633	26.0
127.03914	2.5
127.56939	1.7
128.10710	3.4
129.10187	3.3
133.10130	2.1
135.08029	2.0
136.07533	9.5
145.04936	2.8
147.04393	4.6
156.07703	2.0
159.09248	2.1
171.10155	5.3
175.03958	4.0
178.13316	2.1
188.06992	2.5
189.11223	100.0
190.11539	5.2
207.06497	12.0
207.13792	5.4
223.15535	3.4
235.11061	1.7
237.13516	2.4
251.14973	3.9
326.99738	1.9
350.26956	2.4
368.17514	8.3
368.23935	6.4
368.27951	13.0
369.14984	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	368.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00411	0.3
55.05505	0.3
56.05032	1.2
56.41692	0.2
56.77279	0.3
56.96525	0.3
58.06620	0.3
58.40269	0.3
60.04523	2.3
69.04572	0.4
69.07061	1.3
69.53534	1.6
70.02954	0.5
70.06593	5.7
72.08148	2.6
81.04527	1.5
82.05310	0.4
82.55235	0.3
83.06107	8.7
84.04506	0.7
84.08141	2.7
86.09706	12.5
87.05591	1.4
88.03989	0.7
89.63818	0.3
91.05489	0.8
93.04528	6.3
95.06086	6.7
96.08090	0.3
98.23320	0.5
103.05452	0.5
108.05597	0.3
110.07163	100.0
111.06832	0.5
111.07507	2.2
112.07594	1.6
116.07114	0.4
120.08104	12.7
121.03954	0.4
121.08462	1.0
122.07169	0.4
123.05520	0.4
123.46628	0.3
125.97932	0.3
129.10281	0.6
130.06549	1.6
136.07591	1.2
137.07973	0.7
138.06621	5.7
140.07050	0.8
144.08124	1.4
148.07492	0.3
156.07684	4.3
157.06091	0.5
157.09673	0.4
162.09122	0.9
163.03856	0.3
164.11835	1.7
166.06104	0.5
175.03888	0.3
175.08711	0.8
178.05022	0.9
178.13391	20.7
179.13739	0.9
185.16534	0.3
190.08630	0.6
206.04526	0.6
206.12863	1.4
207.06497	0.5
207.11296	4.7
209.13983	2.3
223.15532	28.4
224.15884	1.1
231.17001	2.7
234.12494	0.4
235.10744	5.3
236.10887	0.3
237.13452	2.2
251.15034	23.4
252.15353	1.2
255.14725	0.4
263.10391	0.4
266.14807	0.3
268.12640	0.4
269.12949	0.3
269.16052	1.3
304.78568	0.3
332.20798	1.3
339.16425	0.4
350.21780	0.8
368.09201	1.0
368.18900	0.8
368.23044	9.2
369.17279	3.8
369.22818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2291
Annotation	Val His Ile
Peak:m/z	Relative Intensity
55.05510	1.9
56.05040	1.7
58.06608	0.4
60.04513	0.6
61.93418	0.3
63.79107	0.3
65.10403	0.3
69.03446	0.5
70.06258	0.3
70.06596	3.6
71.14668	0.5
72.07754	0.5
72.08155	10.3
74.06082	1.9
81.04527	1.3
82.05328	0.7
83.06102	5.7
84.04494	0.9
84.08142	3.7
85.02890	0.5
86.09707	4.5
88.24654	0.3
91.05489	0.5
93.04530	5.0
94.05317	1.2
95.06092	3.7
109.06389	0.3
110.07162	100.0
111.05587	0.6
111.06840	0.5
111.07506	2.3
112.07601	0.5
116.07095	0.4
119.04929	0.4
120.05599	0.6
120.08114	2.2
121.04029	0.4
122.07159	0.9
129.10207	1.6
130.08630	1.7
134.07150	0.3
136.07590	1.8
136.08568	0.3
137.07942	0.6
138.06621	3.3
140.07080	0.4
142.04785	0.4
143.08200	0.4
144.61066	0.3
147.09138	0.5
156.07689	6.0
157.09769	0.3
163.03909	0.4
164.11844	6.7
166.06125	14.5
166.08595	1.0
175.10822	0.8
176.11876	1.9
178.04987	5.4
178.06429	0.4
178.13393	3.8
179.05383	0.3
187.04462	0.3
190.13499	0.4
191.12917	0.3
192.11378	0.6
193.14558	0.4
203.10226	0.8
206.04488	4.3
206.12828	0.4
207.06476	0.7
209.13976	6.1
210.14424	0.3
213.12227	0.4
217.06677	0.3
220.10800	9.8
221.11150	0.7
223.10785	0.4
223.15544	5.4
223.17563	0.5
224.15883	0.4
234.12442	1.4
237.13460	25.0
238.13817	1.6
251.14995	7.5
252.15427	0.4
255.14484	3.3
269.11545	0.6
269.16074	14.8
270.16391	1.0
279.14563	0.4
333.19193	0.8
350.21805	1.2
368.09653	3.1
368.18045	1.0
368.22849	7.5
369.18448	0.6
369.23245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.4
56.05032	8.0
57.03442	7.2
57.07072	27.7
58.06603	100.0
60.04530	4.2
65.03933	2.4
67.05505	21.9
69.07079	13.4
69.57272	13.8
70.06594	12.0
71.02892	2.1
71.04989	8.5
71.08643	15.2
72.08167	7.3
79.05488	10.0
81.07059	28.7
82.06586	12.5
83.08617	9.4
85.10169	13.6
86.06071	85.1
88.03992	5.2
91.05473	5.6
93.07063	14.1
95.04966	3.1
95.07334	4.0
95.08608	39.8
97.06551	15.6
97.10174	5.9
98.23315	4.4
99.08021	2.3
100.07584	5.9
105.07030	2.6
107.08614	4.8
108.08128	7.8
109.06290	2.1
109.10170	13.3
110.09683	63.5
114.05517	5.4
116.07098	4.1
119.08609	3.1
121.10157	4.4
123.11716	3.2
128.07104	8.1
138.09102	3.7
154.12271	2.7
169.15878	23.3
198.18472	4.4
211.20557	12.7
221.19170	2.0
224.63750	2.3
263.23718	12.9
281.24664	4.7
294.27917	47.7
312.29123	6.6
322.27325	15.9
340.28479	78.2
341.28802	3.8
349.49551	2.3
350.30692	2.8
351.26889	2.2
368.27966	59.6
368.42484	11.6
369.28436	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	368.2794
Annotation	ETHYL TUMONOATE A
Peak:m/z	Relative Intensity
55.05503	2.4
55.18496	0.6
56.05035	1.5
57.03428	1.3
58.06591	2.8
67.05499	2.5
69.03420	0.9
69.07078	1.3
69.42005	3.5
70.06587	5.2
71.04985	0.6
72.08140	2.2
79.05485	2.5
81.07061	5.4
82.06557	0.7
84.08145	17.9
91.05468	1.5
93.07044	2.1
95.04990	1.5
95.08614	3.2
96.08113	1.3
97.06562	0.9
98.09711	1.4
99.67601	0.7
100.11301	0.7
105.07042	0.9
107.08604	1.4
108.08108	0.7
109.10173	1.0
110.09655	3.7
111.04479	0.7
112.11227	1.2
116.43382	0.7
121.10149	1.5
124.11204	0.9
128.10715	7.8
133.10207	0.8
152.72896	0.6
173.80524	0.6
194.19283	0.7
243.02109	0.6
278.24860	3.2
291.47415	0.7
304.26306	3.5
306.24252	2.3
322.27408	4.3
332.25809	6.3
350.26898	41.1
351.27341	4.1
367.73450	0.9
368.27945	100.0
369.23270	1.3
369.28250	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	368.3158
Annotation	PGE2alpha dimethyl amine
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	0.4
55.05510	3.3
56.05030	0.9
57.03436	1.0
57.05811	0.4
57.07079	0.5
57.38637	0.3
58.06606	2.1
59.05014	0.4
62.61042	0.3
65.03939	1.2
67.05505	13.4
69.03413	0.6
69.07072	2.1
69.16150	0.3
69.53939	2.0
70.06595	3.8
71.04975	0.5
71.07373	1.4
71.08635	0.7
72.08154	85.4
73.08499	1.2
79.05493	7.8
81.03429	0.7
81.07061	8.1
83.04953	0.7
83.08612	0.9
84.08141	1.5
85.08915	0.9
85.10139	0.5
86.09713	4.7
91.05482	6.6
93.07047	7.4
95.04981	1.4
95.08599	6.2
96.08128	0.5
97.06535	1.2
98.09724	2.4
99.08126	0.5
100.07629	0.8
101.08376	0.6
102.09198	1.7
105.04622	0.4
105.07033	2.7
105.09111	0.4
107.08605	3.1
109.10162	1.6
110.07166	0.7
110.09695	0.6
112.11261	0.6
117.07008	0.9
119.08597	1.3
121.10152	1.8
123.08046	0.7
124.11212	0.4
129.07072	0.4
131.08565	1.1
133.10156	1.0
135.11684	0.4
145.10097	1.1
147.11671	1.0
149.13252	0.5
159.11630	0.5
218.23613	0.4
231.82520	0.8
246.10028	0.4
247.66042	0.5
332.29514	3.3
350.30518	19.4
351.30750	1.8
368.31570	100.0
369.12558	0.7
369.31973	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	368.3162
Annotation	(-)-3-O-Acetylspectaline
Peak:m/z	Relative Intensity
54.89224	4.8
67.05514	14.1
67.70038	4.8
70.06563	5.0
72.08157	61.1
74.12972	4.6
79.05502	7.7
81.07073	13.0
87.39424	4.4
91.05480	9.2
93.07059	5.9
95.08616	11.3
105.07059	5.5
129.99171	5.4
197.71652	5.1
255.61809	4.3
299.65875	4.5
314.87173	5.2
350.30527	18.0
368.31577	100.0
369.32056	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	368.3161
Annotation	PGE2alpha dimethyl amine
Peak:m/z	Relative Intensity
55.01880	5.6
55.05510	7.0
57.03457	3.5
58.06610	8.5
59.05000	3.3
67.05507	15.0
69.07082	3.6
70.06609	4.8
71.08652	3.6
72.08157	24.8
79.05506	13.1
79.94542	2.3
80.67524	2.0
81.07062	27.8
81.07522	2.4
83.08636	2.8
84.04530	6.7
84.08144	7.4
85.08951	2.9
91.05489	6.2
93.07058	9.8
95.08624	15.6
98.09721	7.5
100.11293	8.3
105.07076	3.4
107.08613	7.6
116.23981	2.2
149.13292	2.4
154.12364	8.2
170.15480	12.6
194.97295	2.2
196.57901	1.8
198.14874	13.7
223.07661	2.4
236.87059	1.8
281.18536	10.4
332.29681	6.0
350.30597	47.7
350.34589	3.6
351.30807	4.0
368.31781	100.0
369.32150	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.3158
Annotation	PGF2alpha dimethyl amine
Peak:m/z	Relative Intensity
50.24400	0.5
53.03937	0.9
55.01872	3.3
55.05522	2.9
56.05017	0.8
57.03429	3.7
58.06598	4.8
58.87776	0.6
63.57210	0.6
67.05503	5.2
67.63752	0.6
69.06726	1.0
69.07069	12.2
69.87865	1.8
70.06589	2.2
71.04980	0.8
71.07381	0.7
72.08156	32.7
73.08485	1.8
79.05499	5.9
79.05920	0.8
81.07057	13.0
83.04999	3.0
83.05431	0.7
83.08624	1.0
84.08144	4.3
85.02914	1.7
85.08927	5.1
86.09710	1.4
89.78320	0.6
91.05473	3.8
93.07039	5.4
95.04942	1.6
95.08604	5.8
97.06541	0.9
98.09698	5.8
99.04456	4.1
105.07014	2.7
107.08618	2.9
109.06525	1.1
109.10163	1.9
111.04438	4.8
111.08070	1.0
111.11728	1.0
117.07025	0.7
118.46653	0.5
119.08573	3.8
121.06493	1.7
121.10134	1.4
123.08095	1.2
124.11253	1.0
125.06013	0.7
131.08546	1.0
133.10143	2.3
135.08066	1.6
135.11725	0.9
137.09621	1.8
140.14314	1.1
147.11700	1.0
149.13278	2.0
151.11171	1.6
151.76657	0.5
161.09621	0.6
196.16983	3.1
237.18394	0.8
290.78360	0.8
305.24658	1.7
306.24838	0.7
313.21106	0.7
350.30521	57.5
351.30893	5.8
368.31570	100.0
369.31894	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	368.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24400	0.5
53.03937	0.9
55.01872	3.3
55.05522	2.9
56.05017	0.8
57.03429	3.7
58.06598	4.8
58.87776	0.6
63.57210	0.6
67.05503	5.2
67.63752	0.6
69.06726	1.0
69.07069	12.2
69.87865	1.8
70.06589	2.2
71.04980	0.8
71.07381	0.7
72.08156	32.7
73.08485	1.8
79.05499	5.9
79.05920	0.8
81.07057	13.0
83.04999	3.0
83.05431	0.7
83.08624	1.0
84.08144	4.3
85.02914	1.7
85.08927	5.1
86.09710	1.4
89.78320	0.6
91.05473	3.8
93.07039	5.4
95.04942	1.6
95.08604	5.8
97.06541	0.9
98.09698	5.8
99.04456	4.1
105.07014	2.7
107.08618	2.9
109.06525	1.1
109.10163	1.9
111.04438	4.8
111.08070	1.0
111.11728	1.0
117.07025	0.7
118.46653	0.5
119.08573	3.8
121.06493	1.7
121.10134	1.4
123.08095	1.2
124.11253	1.0
125.06013	0.7
131.08546	1.0
133.10143	2.3
135.08066	1.6
135.11725	0.9
137.09621	1.8
140.14314	1.1
147.11700	1.0
149.13278	2.0
151.11171	1.6
151.76657	0.5
161.09621	0.6
196.16983	3.1
237.18394	0.8
290.78360	0.8
305.24658	1.7
306.24838	0.7
313.21106	0.7
350.30521	57.5
351.30893	5.8
368.31570	100.0
369.31894	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	369.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
59.65967	0.3
63.58520	0.3
69.29791	2.0
70.06589	3.5
71.95271	1.4
72.96051	5.4
74.97585	1.6
83.97642	3.9
84.96053	0.4
85.99218	0.4
97.99225	0.4
98.23328	0.4
101.98681	0.5
111.37346	0.4
112.08768	0.8
116.07093	0.5
120.08118	1.0
123.30737	0.3
126.80142	0.3
132.62825	0.3
143.39629	0.4
144.96849	1.0
149.02762	1.0
149.99905	0.4
157.10817	0.5
162.97878	0.4
163.00667	1.3
165.02287	2.2
167.03818	1.2
168.00887	0.8
169.01744	0.8
176.03839	13.8
177.02238	0.8
178.05403	9.8
178.06870	0.6
179.00121	0.9
179.05775	0.4
181.01718	2.1
183.03288	6.6
185.01334	0.6
186.02266	1.1
187.02744	0.5
190.01750	1.3
192.03343	2.3
194.04904	7.2
195.05209	0.4
196.06467	7.4
197.01210	1.8
199.02773	0.5
201.04350	6.0
204.03320	7.9
204.05055	0.5
205.03627	0.4
208.02832	8.7
210.04428	2.1
213.12447	0.5
215.02322	1.0
222.04379	58.6
223.01520	0.9
223.04741	2.1
226.03877	4.5
233.91605	0.4
240.05435	53.8
241.05814	2.1
245.05965	0.9
254.16161	0.5
263.07095	0.4
302.43704	0.4
310.04626	0.5
324.09164	1.3
330.32703	0.4
351.10214	4.8
366.69318	0.4
369.11215	37.6
369.21866	1.8
370.11560	3.3
387.12268	5.8
388.12585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02369	0.7
53.03949	2.2
55.01867	0.8
55.05499	0.9
57.03431	2.1
58.06591	0.9
65.03931	2.2
67.05490	1.5
69.03432	12.2
69.07059	1.0
69.96908	1.5
70.06583	2.2
71.04974	1.4
72.07751	0.8
72.08157	16.6
73.02913	1.1
77.03912	1.1
78.94376	0.4
79.05487	1.7
81.03418	18.6
81.07057	1.9
83.04971	0.8
84.08127	1.4
85.02905	6.1
86.09682	1.4
89.03898	0.9
91.05481	33.1
92.05798	1.0
93.06990	0.9
95.04965	4.5
95.08603	1.2
97.02891	1.5
98.23312	0.6
99.04456	2.9
101.64459	0.4
102.09186	0.9
103.05453	0.6
105.03376	0.8
105.07016	1.4
106.97608	0.5
107.04946	0.7
107.08643	0.5
108.42746	0.4
109.02885	6.8
109.06509	0.6
109.10123	0.6
110.07163	1.4
110.09669	0.6
118.04166	0.8
119.04944	41.2
119.08566	0.8
120.05260	1.4
121.06476	0.5
121.10153	0.6
122.03665	0.6
123.46873	0.5
127.03909	4.6
128.10669	1.0
129.03351	1.1
129.04561	0.4
129.10213	0.6
131.04945	0.5
131.08572	0.7
132.02081	2.0
132.54889	0.5
133.10124	0.7
135.04353	0.6
136.05165	1.0
145.02867	1.2
147.04410	33.8
148.04730	1.7
149.02350	1.9
157.03958	3.5
163.03917	0.7
164.04665	1.4
165.12897	0.4
175.03908	56.8
176.04271	2.0
179.07030	3.7
182.99615	0.5
191.97475	0.4
192.04167	2.5
207.06526	100.0
208.06902	4.6
225.07480	1.5
263.11710	1.0
287.24503	0.5
308.22150	0.6
309.12122	1.7
309.22653	1.1
337.10696	2.1
350.26871	0.8
351.10724	20.1
351.26733	1.3
352.11072	1.2
352.24380	0.5
352.28415	0.9
368.27826	1.1
368.31805	0.8
369.14227	3.7
369.18848	3.8
369.23489	1.2
369.28030	1.7
370.15399	0.5
370.25839	5.6
370.29822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.01871	0.5
55.05505	0.3
58.06589	0.3
61.02929	0.4
61.42573	0.3
65.03944	1.1
67.05476	0.5
69.03429	15.0
69.78478	1.4
70.06587	3.2
71.04989	0.3
72.08151	1.4
72.45030	0.3
73.62206	0.4
76.03188	0.3
77.03954	0.5
79.05488	0.6
81.03418	0.9
84.04500	0.5
84.08141	3.7
85.02904	1.0
86.09720	2.3
89.03922	0.6
91.05479	23.9
95.04946	0.5
97.02882	2.3
99.04426	0.6
103.05485	0.7
105.07035	0.7
107.04963	0.4
109.02888	1.0
110.07155	2.5
111.04420	0.4
112.07593	0.3
114.09179	0.3
116.07114	0.3
118.04135	0.4
119.04943	33.3
120.05276	0.8
120.08098	1.5
121.08512	0.4
121.10159	0.5
123.04424	0.3
127.03927	6.2
128.10732	0.5
129.03363	0.8
129.10265	1.0
131.04951	0.5
132.02080	1.8
133.02858	0.4
135.04411	0.5
136.05222	0.4
138.54492	0.3
145.02856	0.5
145.66788	0.3
147.04405	29.5
148.04747	1.0
149.02304	1.0
149.05969	0.4
156.07655	0.4
157.03957	3.8
164.04678	1.2
166.08585	0.4
167.07018	1.3
175.03902	52.7
176.04282	1.9
179.07008	2.4
189.12761	2.2
192.04172	0.8
207.06519	100.0
208.06862	5.1
219.06598	0.7
225.07486	0.9
263.09143	0.3
351.10675	2.6
369.11813	2.9
369.18671	1.0
370.17645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.38219	1.2
53.96932	1.2
55.37295	1.3
58.06578	1.7
59.53755	1.1
69.00742	11.8
70.06582	3.6
72.08143	1.3
79.05497	1.5
81.07059	1.2
84.08135	4.5
91.05494	2.0
93.07066	1.3
95.08571	1.5
105.07048	1.4
122.73022	1.3
145.06566	1.5
178.07793	3.4
179.08484	1.8
181.06422	2.3
189.06982	3.0
190.07834	1.6
191.08502	3.1
194.07275	4.9
195.08015	2.7
202.07832	3.0
203.08530	4.1
205.06523	5.2
206.07248	2.4
207.08014	4.2
209.09586	1.6
211.07362	1.7
215.08592	1.9
215.17302	1.5
218.07358	2.9
219.08043	4.3
220.08937	3.7
221.05884	2.6
221.09612	2.4
222.06685	3.7
223.07510	4.5
231.08072	6.1
232.08823	1.3
233.05945	3.7
234.06775	2.0
235.07465	7.1
236.08327	2.7
237.09093	4.1
238.06279	2.3
238.09564	1.3
246.06750	1.7
247.07521	8.7
248.04524	1.6
248.08293	4.6
249.09019	6.3
250.06276	3.3
250.09911	1.4
251.06998	5.2
251.10721	2.0
252.07890	2.4
261.09058	2.0
263.07080	3.8
263.10638	1.7
264.07697	1.6
265.08606	11.6
266.05737	1.5
266.09268	4.4
267.10095	2.4
275.07034	1.7
276.07813	1.7
277.08560	2.3
278.09418	1.7
279.06638	3.5
279.10129	3.5
281.08087	1.3
281.11679	1.6
291.10089	12.8
293.08051	5.6
294.08755	6.1
295.09525	2.7
307.09628	4.1
308.10361	1.8
309.11160	13.4
311.09131	1.7
319.09613	5.2
322.08258	2.3
325.22910	2.0
337.10690	100.0
338.11060	9.0
350.27017	2.4
352.28412	1.7
368.27927	3.9
369.13348	17.4
369.22488	2.5
369.28564	2.6
370.13623	2.3
370.29761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
59.74890	0.7
67.98777	0.7
68.69604	0.7
70.06604	4.6
70.45859	1.2
70.46191	1.3
72.08159	1.5
78.54998	0.9
84.08131	1.6
100.11225	1.0
110.07173	1.2
125.57237	0.7
129.05713	0.6
132.56396	0.7
207.09984	1.5
210.60931	0.7
213.12381	1.0
352.28510	1.3
369.18860	100.0
369.28250	3.8
370.19171	7.0
370.29504	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1885
Annotation	His Val Asn
Peak:m/z	Relative Intensity
55.05518	1.3
59.74890	0.7
67.98777	0.7
68.69604	0.7
70.06604	4.6
70.45859	1.2
70.46191	1.3
72.08159	1.5
78.54998	0.9
84.08131	1.6
100.11225	1.0
110.07173	1.2
125.57237	0.7
129.05713	0.6
132.56396	0.7
207.09984	1.5
210.60931	0.7
213.12381	1.0
352.28510	1.3
369.18860	100.0
369.28250	3.8
370.19171	7.0
370.29504	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
53.14169	3.8
55.01880	4.6
55.05512	22.0
56.96567	46.8
57.03429	7.4
57.38955	4.6
57.66326	4.0
58.06604	23.3
67.05511	22.1
69.07071	6.2
70.06565	7.5
71.04977	5.5
71.30022	6.4
71.95267	9.9
72.08152	32.0
79.05497	18.4
81.07050	29.8
83.08594	6.3
83.11015	4.1
84.08114	5.6
91.05474	21.0
93.07040	18.4
95.05011	5.7
95.08606	20.9
97.06512	5.2
97.10152	5.5
98.09727	6.2
98.24036	4.6
105.07050	10.9
107.08601	12.7
109.06505	4.2
109.10142	10.9
110.97553	6.9
117.07018	6.0
119.04957	12.3
119.08555	10.3
121.10179	9.4
123.08085	5.2
131.08572	6.3
133.10153	9.8
135.07945	5.2
137.06029	4.0
143.08675	5.0
147.04440	12.5
147.11705	4.9
147.88054	4.7
148.99678	4.9
161.07239	4.2
175.03888	13.1
185.04843	4.3
199.06384	10.6
203.05768	6.1
207.06531	32.6
213.07964	15.1
217.07439	5.7
225.07942	5.8
229.07520	9.3
231.09032	23.2
241.11050	14.7
243.08968	6.9
247.08540	7.7
251.09587	12.2
255.09111	7.2
257.10687	6.9
259.12225	14.6
263.11838	9.5
269.10611	53.2
287.11661	27.0
288.12064	5.4
309.12332	12.5
333.17352	25.9
333.29810	7.8
337.11731	4.8
350.30402	13.8
351.18555	33.4
351.27008	9.8
351.30759	22.7
358.70181	4.8
368.31509	10.3
369.14447	35.0
369.19574	100.0
369.27771	5.7
369.31985	26.9
370.19852	8.9
387.20572	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.0
60.05640	3.2
69.63352	1.7
69.63741	2.0
70.06593	100.0
70.23813	0.8
71.06908	2.0
83.80769	0.7
84.08131	2.6
97.07668	1.5
98.06067	8.3
98.97594	1.5
107.04952	7.1
110.07158	2.7
112.08737	20.1
113.09036	0.9
115.08722	1.7
116.07093	12.5
116.98591	1.4
119.01900	1.9
125.07106	1.0
126.05527	2.7
136.07610	1.1
140.08215	2.7
149.10730	1.2
151.12300	1.8
156.03325	1.8
157.10840	11.1
161.03014	1.1
167.05568	0.9
167.11768	3.0
174.04407	3.7
175.11842	2.4
186.04448	1.9
192.98651	1.1
194.12932	1.0
195.11270	7.3
204.05418	1.9
209.14014	4.4
213.12350	14.4
237.13487	2.7
245.05156	1.5
250.93915	0.9
254.16087	10.8
255.00345	1.0
255.14439	1.8
263.02734	1.2
272.17154	3.0
273.01422	2.0
274.01889	2.1
277.00830	1.1
278.75842	0.8
282.99814	1.2
298.90814	0.9
302.03989	0.8
307.22394	1.5
310.04437	3.3
310.17743	1.6
326.98691	1.1
328.05487	6.9
333.20306	2.0
344.99744	1.2
350.39835	0.9
351.21503	4.4
352.19839	4.2
369.10187	1.5
369.22421	52.5
370.22806	3.4
388.04910	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	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.6
55.05509	6.1
57.03436	4.0
57.07064	0.9
57.93585	0.7
58.06596	0.8
67.05502	7.9
69.07064	4.6
69.79388	2.2
71.08636	0.9
72.08161	12.2
73.08489	3.4
75.24427	0.5
75.26076	0.5
77.03888	0.6
79.05502	7.5
80.05821	1.2
81.07059	28.2
82.07393	0.8
83.04990	2.8
83.08619	2.0
86.09694	0.9
91.05470	4.4
93.07044	5.8
95.04991	1.0
95.08609	7.7
97.06522	1.8
105.07043	4.5
107.08591	5.4
108.16247	0.5
109.06524	10.7
109.10130	3.6
111.04445	17.2
111.08072	1.1
112.92120	0.6
117.07008	0.7
119.08588	5.7
121.06511	0.7
121.10128	4.6
121.16819	0.7
123.08065	2.2
123.11666	1.5
125.06004	6.6
125.09597	0.7
131.08553	2.5
133.10146	5.0
135.08052	2.9
135.11699	3.4
137.05975	100.0
137.13272	2.4
138.06290	3.6
143.08490	1.2
145.10164	1.6
147.08037	1.4
147.11700	5.5
149.09607	3.2
149.13254	1.0
151.07541	2.2
151.11200	0.9
157.10155	1.4
157.63872	0.6
159.11723	1.0
161.09608	6.0
161.13275	2.2
163.11169	3.6
163.14885	1.0
164.11534	0.6
165.09113	2.6
165.12801	0.8
171.11716	1.6
175.11214	4.9
175.14825	1.1
179.10649	2.2
181.12196	1.2
189.12796	1.0
193.12279	1.9
203.17934	6.4
204.18213	0.6
213.16345	1.8
221.19016	1.7
223.14951	1.1
231.17413	10.9
232.17775	1.0
241.15735	1.1
249.18483	12.2
250.18916	1.1
275.66437	0.7
277.17984	62.4
278.18283	4.7
295.19006	5.2
333.29874	0.7
351.21677	6.2
351.25888	0.7
351.27252	0.6
351.30899	4.3
369.22672	2.6
369.31888	21.4
370.32413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43021	3.1
53.03946	5.3
53.25003	3.7
55.01862	15.9
55.05511	79.1
57.03417	3.7
57.21457	3.2
58.71981	3.9
67.05509	59.5
69.07076	19.1
69.10160	10.0
69.10562	15.1
71.08630	3.1
72.08158	9.6
73.20969	3.8
79.05487	30.5
79.94301	3.5
81.03416	15.0
81.07065	56.8
83.04975	14.1
83.08616	100.0
85.06514	4.4
91.05492	34.2
93.07038	31.0
95.04969	7.8
95.08604	32.5
97.06529	11.2
97.10130	5.8
98.34850	3.3
99.08118	6.8
105.07033	32.6
107.08597	21.8
109.06529	7.0
109.10155	12.0
111.08078	27.2
117.07031	4.3
119.08559	19.3
121.10132	17.5
123.11694	3.9
128.59802	3.3
129.07022	6.3
129.09103	7.2
131.08533	5.3
133.10118	45.3
135.11699	6.0
139.11203	17.4
144.04376	3.8
145.10098	6.5
147.11679	23.6
149.09569	7.4
149.13269	24.7
151.11186	10.2
157.10126	11.3
159.11659	6.3
161.13142	5.1
165.12813	20.9
167.14291	4.2
171.11685	6.6
173.13269	4.9
175.11180	8.7
175.14935	4.0
176.12111	3.9
185.13333	4.8
195.48010	3.4
219.11243	3.7
221.15271	4.2
241.19455	6.4
259.20514	10.0
275.57272	3.4
277.21634	56.7
340.88605	3.7
351.25275	26.0
352.53561	4.1
369.19620	4.4
369.26422	3.8
369.32104	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	43.5
57.03429	12.1
57.07079	13.3
67.05502	100.0
69.04028	51.0
69.04432	13.1
69.07072	21.4
71.08630	31.1
79.05496	63.8
80.94872	8.5
81.07050	70.8
83.04996	40.1
83.08633	15.3
91.05476	36.2
93.07055	64.2
95.05009	9.2
95.08609	39.8
97.06514	11.3
97.10186	15.2
99.08099	24.0
105.07038	20.1
107.08591	53.6
109.10165	42.1
116.23529	7.8
119.08583	20.7
120.63750	7.7
120.97530	6.8
121.10152	34.5
133.10124	14.3
135.11723	46.4
147.11679	11.8
149.13263	18.2
151.11171	13.1
153.60609	8.8
161.13239	11.9
163.11246	9.2
171.11601	10.6
177.12837	8.0
179.14287	57.6
185.13490	8.7
246.67093	8.2
259.20563	24.3
275.53873	7.9
277.21619	65.9
285.82709	8.5
313.12024	21.5
351.25284	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	23.7
55.05518	33.8
55.21025	12.4
57.07067	13.8
65.03974	12.5
65.98135	9.8
65.98485	10.6
67.05512	58.9
69.07075	41.4
70.06583	15.3
71.29234	17.5
79.05495	41.2
81.03428	58.2
81.07053	64.4
83.08637	12.6
91.05501	25.8
93.07059	35.5
95.04970	34.7
95.08606	24.5
105.07027	23.4
106.05117	10.4
107.08605	28.3
109.10195	17.9
119.08594	18.8
132.53883	9.7
133.10101	14.3
147.11702	16.7
149.02420	10.9
151.11200	45.4
161.13327	20.0
165.12796	13.9
194.69864	12.2
212.15729	10.4
231.21208	17.7
259.20538	15.2
277.21619	100.0
309.04431	11.8
351.25403	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	10.0
55.05515	60.5
57.03437	29.7
57.07045	9.6
58.06602	9.1
58.51551	8.5
67.05509	75.1
68.50559	10.1
69.03448	10.0
69.07066	59.4
69.73613	19.5
69.74001	20.2
70.06575	19.5
71.04984	10.6
71.08631	61.8
73.14529	8.4
79.05489	53.6
81.07056	100.0
82.44147	9.9
83.04984	17.4
83.08613	27.4
85.10191	16.6
91.05491	48.1
93.07054	61.6
95.04948	22.2
95.08604	42.7
97.06528	20.3
97.10191	12.8
98.22765	16.4
99.08102	31.3
105.07018	39.7
107.08584	28.5
109.10152	38.4
111.08025	21.2
113.09652	13.8
117.06931	12.7
119.08592	34.7
121.10121	21.7
123.08059	9.3
123.11700	17.0
133.10179	19.5
138.51276	9.9
139.11194	15.2
147.11656	40.3
149.13246	16.1
151.11192	36.5
153.84662	9.6
161.13321	12.1
165.12735	38.1
173.11749	14.0
207.13850	12.0
237.05032	9.7
259.20663	9.7
264.62445	10.3
277.21649	81.0
280.92981	10.0
300.02567	12.3
351.25220	18.5
369.26257	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.01871	10.7
55.05511	64.0
55.05764	5.0
57.03444	23.4
58.06604	12.4
65.03963	3.9
67.05148	2.8
67.05504	80.0
69.03451	8.4
69.07071	46.2
69.08681	9.1
69.09084	16.3
70.06593	7.8
70.09755	3.0
71.04990	13.2
71.08640	30.7
71.62013	3.6
72.08144	19.3
78.56274	3.7
79.05499	48.1
81.03422	15.7
81.07059	100.0
82.94307	3.6
83.04975	9.0
83.08623	43.3
84.08155	7.0
85.02901	7.5
85.06531	7.8
91.05488	57.5
92.05830	4.1
92.06371	3.3
93.07046	47.5
95.04987	13.8
95.08611	58.2
97.02913	3.7
97.06548	15.3
97.10168	5.5
98.22588	6.2
99.08080	27.2
105.07034	42.1
107.05012	5.2
107.08610	35.1
107.56764	3.2
109.06520	8.7
109.10183	27.3
110.07170	13.7
111.08112	11.7
113.09652	6.9
117.06998	8.3
118.21060	3.6
119.04913	23.2
119.08585	27.6
121.06493	3.2
121.10145	25.6
123.08059	6.7
123.11713	14.2
125.09621	8.3
127.03972	3.3
128.10866	3.2
129.06955	6.5
130.89006	3.3
131.08585	13.1
133.10130	21.6
135.08072	5.1
135.11702	13.5
137.06004	5.4
137.09674	6.4
142.07803	3.5
143.08600	4.9
145.04953	4.5
145.10172	7.5
147.04439	16.8
147.11668	33.3
149.09621	5.7
149.13269	16.9
149.91040	3.6
151.11185	17.0
157.10144	4.6
159.11745	9.5
161.13272	7.8
163.11192	7.1
165.12778	13.1
167.07135	3.9
173.13242	5.9
175.03926	28.8
175.11212	8.0
175.14851	4.6
179.14354	8.1
189.12779	5.2
193.12338	4.0
195.20273	3.5
207.06516	57.9
211.08598	3.9
224.62515	3.6
225.10257	7.1
239.08043	6.1
239.11932	3.7
241.19568	6.8
249.10019	4.5
250.10965	5.9
254.10452	5.3
259.20618	9.3
263.11835	23.8
264.12399	7.8
277.21606	48.5
279.11206	4.4
291.11243	5.6
295.22665	9.3
309.12338	28.1
310.12833	4.1
337.11755	5.6
341.15390	5.0
351.10272	4.5
351.25516	4.2
351.30801	13.9
369.14462	67.9
369.18658	6.9
369.22275	7.5
369.26511	36.2
369.31830	40.6
370.15207	8.1
370.29352	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.4
55.01883	14.0
55.05517	75.7
57.03435	25.8
57.07070	8.0
65.03937	3.6
67.05508	78.7
68.05825	2.6
69.03422	3.7
69.06734	2.9
69.07076	32.7
69.50682	10.0
71.04996	7.8
71.08636	45.3
79.05494	46.0
81.03416	5.7
81.07063	100.0
82.07386	2.4
83.04984	12.7
83.08144	3.6
83.08625	57.4
84.84142	2.2
85.06554	8.8
85.10178	5.2
91.05482	44.4
93.06468	3.5
93.07050	46.5
95.04980	11.4
95.08609	44.0
97.06526	16.2
97.10207	3.6
99.08099	41.7
101.06043	1.9
105.07042	38.1
107.08598	23.5
109.06532	6.9
109.10164	20.4
111.08093	25.9
113.09631	8.7
113.71220	1.9
117.07019	5.0
119.08581	26.8
121.10156	19.3
123.01835	2.0
123.08082	8.5
123.11720	15.1
125.09641	5.4
127.11209	3.4
129.07001	5.3
129.70047	1.9
131.08527	4.9
133.10159	23.2
134.71065	1.9
135.08075	2.3
135.11682	12.2
137.09624	2.5
139.11169	9.8
143.08516	2.6
143.45326	1.8
145.10161	6.7
147.11687	40.9
149.09631	6.4
149.13287	15.8
151.11212	14.7
153.12743	3.0
157.10100	9.7
159.11684	3.8
161.13254	10.3
163.11185	10.0
163.14845	2.6
165.12778	28.5
167.14282	4.0
171.11720	3.3
173.13211	2.4
175.11221	7.0
175.14871	4.0
179.14314	12.6
193.12308	3.6
231.21101	2.5
241.19504	4.4
249.11108	1.9
249.22234	5.4
259.20499	9.8
277.21637	54.1
278.21942	3.8
290.65054	2.1
295.22784	11.9
351.25253	7.4
369.26376	40.3
370.26520	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01876	22.2
55.05243	3.6
55.05512	68.8
57.03440	29.1
57.07071	10.8
59.04981	3.1
65.05440	2.2
67.05505	74.2
69.03415	3.4
69.07072	29.8
69.78407	4.8
69.78834	7.7
71.05003	6.5
71.08633	58.7
71.09011	4.4
75.93404	2.2
79.05495	48.1
81.03423	5.2
81.07056	100.0
81.07527	5.4
83.04990	14.4
83.08618	53.2
85.06561	11.2
85.10192	10.3
91.05482	39.7
93.07041	40.6
95.04968	16.4
95.08610	46.3
97.06546	27.4
97.10176	5.3
98.22708	3.1
99.08088	47.4
99.08664	3.9
105.07018	38.5
105.07649	3.0
107.04983	7.9
107.08590	27.4
109.06535	9.5
109.10161	19.6
111.08070	28.7
113.09650	18.3
117.07042	3.8
119.08572	26.3
121.10128	26.2
123.08098	9.3
123.11720	14.7
125.09630	5.0
129.07034	6.9
131.08578	7.7
133.10136	21.7
135.11725	14.8
137.09604	5.9
137.13295	3.3
139.11223	7.8
142.07784	3.4
143.08534	4.4
145.10129	5.9
147.11694	39.8
149.09648	8.7
149.13261	21.4
151.11156	20.2
153.12817	3.4
157.10172	6.7
159.11676	4.2
161.13255	14.5
163.11195	10.7
163.14850	3.5
165.12758	39.4
166.13132	2.7
166.46075	2.7
167.14352	6.2
171.11685	3.4
175.11234	5.9
175.14804	7.1
179.14331	16.6
185.13170	3.4
189.12677	3.7
193.12262	3.0
207.13872	3.1
229.39952	2.3
231.21140	6.0
239.78647	2.5
249.22163	7.0
259.20596	10.9
277.21616	88.0
295.22690	13.0
348.26831	2.7
351.25427	17.5
369.26318	48.4
370.26776	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	369.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01873	1.0
55.05511	3.8
56.05033	1.0
57.03441	2.0
57.05801	0.6
57.07076	0.6
58.06604	1.2
59.05009	0.2
62.37710	0.2
66.66141	0.2
67.05502	6.2
67.05836	0.5
68.05828	0.5
69.07063	3.8
69.97961	0.6
70.06591	2.3
71.04996	3.1
71.07365	2.1
71.08648	0.4
72.08154	81.3
73.08492	2.7
79.05492	3.8
80.05815	0.3
81.07056	7.5
82.06574	0.3
82.07392	0.7
83.04978	1.2
83.08627	2.7
84.08154	1.5
85.06551	1.0
86.09699	5.9
87.10051	0.3
91.05477	2.2
92.05815	0.3
93.07043	3.9
94.07405	0.5
95.04971	0.6
95.08607	5.2
96.08123	0.6
96.09003	0.3
97.06523	1.8
97.10185	0.6
97.18564	0.2
97.39716	0.2
98.09705	0.6
99.04459	0.5
99.08083	0.4
100.07619	0.5
101.08409	0.3
102.09203	0.7
102.89001	0.2
105.07034	1.3
107.08605	2.4
109.06519	0.8
109.10140	1.5
110.09682	0.3
111.04455	0.7
111.08071	0.4
119.08542	1.2
120.08913	0.3
121.10128	1.6
123.08084	0.4
123.11720	0.3
124.11224	1.7
131.08568	0.3
133.10110	1.4
135.11674	0.7
137.05966	6.3
137.13275	0.3
145.10072	0.4
147.11679	0.9
149.09612	0.5
149.13264	1.1
161.09602	0.4
161.13243	0.3
167.14319	0.3
171.11807	0.3
175.03883	0.5
203.18088	0.4
207.06624	0.6
231.17393	0.4
231.32973	0.3
247.76274	0.2
249.18581	0.6
277.17911	4.1
278.18292	0.3
293.25858	0.5
295.19046	0.8
306.27954	1.6
324.28973	6.1
333.29758	0.6
342.30020	10.0
343.30249	1.1
351.21594	0.4
351.30594	4.0
352.31943	0.4
369.31177	100.0
370.31583	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	370.1761
Annotation	13116-21-7
Peak:m/z	Relative Intensity
58.06621	0.2
70.06596	1.0
70.73797	0.2
72.08160	1.8
79.05505	0.3
84.08131	0.4
86.09708	1.1
91.05489	0.8
93.07053	1.4
95.05006	0.2
95.08585	0.3
96.08125	0.9
97.06596	0.2
98.06117	0.2
98.23350	0.5
98.62106	0.2
103.05463	4.2
110.07180	0.6
114.09159	2.3
119.07343	0.2
120.08104	100.0
120.27168	0.2
121.08434	2.9
129.05507	0.2
135.26294	0.2
158.74503	0.2
196.06938	0.2
208.07001	0.3
208.14072	0.2
222.12735	0.2
223.10782	6.2
224.11008	0.2
254.03638	0.2
267.14914	15.7
268.15280	0.9
295.14490	1.8
296.14078	0.2
352.24963	0.3
370.25845	1.3
371.16769	0.6
371.25446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1764
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
56.05035	0.4
56.07421	0.3
57.03448	0.3
58.06587	0.7
67.05495	1.0
69.03431	0.4
69.07047	4.0
70.06601	1.8
72.08157	17.8
73.39782	0.3
79.05495	1.1
81.03424	0.8
81.07063	1.1
82.06602	0.4
83.04953	0.4
84.08140	1.0
85.02902	0.6
86.09708	2.0
91.05484	1.5
92.05805	0.3
93.07042	1.5
95.04967	1.3
95.08602	1.0
96.08149	0.5
98.22573	0.7
99.04441	0.5
103.05460	3.5
105.07050	0.8
107.04958	0.9
107.08578	0.9
108.25615	0.4
109.02892	0.5
110.07162	0.9
110.09695	0.7
114.09157	1.1
119.04917	0.5
119.08610	0.6
120.08106	100.0
121.08429	3.2
124.11269	0.4
128.10716	1.4
130.08620	0.7
131.04916	0.6
131.08659	0.4
133.10120	0.4
137.05972	0.6
149.05978	0.4
165.12735	0.8
166.08649	10.9
167.06935	0.7
175.03870	0.5
176.04262	0.5
177.10239	35.6
178.10568	1.3
178.13603	0.4
191.14319	0.6
194.31746	0.3
205.09715	5.5
207.06462	0.8
208.06833	1.3
209.15384	1.7
272.05945	0.3
313.15195	0.6
339.12460	0.4
352.24799	1.1
352.28470	1.1
368.12762	0.4
370.15494	0.7
370.25803	4.2
370.29593	3.9
371.16119	0.8
371.24902	0.6
371.29144	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	370.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.5
55.01877	1.2
55.05511	6.8
56.05037	0.7
56.15142	0.4
57.03431	2.4
57.07076	1.1
58.06596	0.9
60.38484	0.5
67.05233	0.5
67.05508	5.4
68.62138	0.4
69.07072	6.0
69.46713	2.5
70.06589	3.0
71.04988	2.8
71.07359	0.5
71.08630	1.3
72.08156	100.0
73.08486	2.1
79.05501	2.4
81.07061	7.5
83.04993	0.8
83.08617	3.0
84.08154	0.8
85.06521	0.6
86.09708	3.1
91.05468	1.3
93.07035	2.5
95.04990	0.7
95.08609	7.8
96.08144	1.0
97.06538	2.0
97.10167	1.9
97.75253	0.4
98.09664	0.6
98.22680	0.9
102.09174	2.6
105.07059	0.9
107.08599	2.0
108.08130	0.5
109.10171	2.1
110.09679	0.6
110.75431	0.5
111.08054	1.1
119.08590	0.8
121.10146	2.1
124.11217	3.1
125.09585	0.7
133.10147	0.6
135.11708	1.6
137.09592	0.5
140.16864	0.5
142.10371	0.4
149.13286	0.5
156.24286	0.5
184.11548	0.7
230.82582	1.0
238.25575	0.4
269.38898	0.4
334.30966	3.9
343.20477	0.8
352.32108	25.5
353.32410	2.1
361.51959	0.5
370.33139	78.7
371.33356	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	370.3314
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05503	1.0
56.05033	0.5
57.07076	2.6
58.06594	0.8
58.99202	0.3
62.94671	0.3
65.03939	0.6
66.45894	0.3
67.05499	3.2
69.07074	1.4
69.54473	1.1
70.06599	0.6
71.04990	1.2
71.08619	1.1
71.59715	0.3
72.07751	0.6
72.08156	13.1
79.05485	1.0
79.81522	0.3
81.07047	2.0
83.08614	1.1
84.08122	1.6
85.08923	0.9
85.10172	0.9
86.09698	0.6
91.05475	0.5
93.07056	1.2
95.04966	100.0
95.08612	2.2
96.05307	2.1
96.08120	0.6
97.06529	0.6
97.10143	0.8
98.09713	0.4
102.09177	10.3
102.09867	0.5
109.10159	1.1
121.75773	0.3
122.09673	4.0
123.10445	1.2
129.44548	0.3
136.11206	0.3
140.10713	1.2
145.10110	0.3
197.18987	0.5
307.26373	3.2
334.31039	4.8
335.31564	0.5
352.32089	24.4
353.32462	2.6
370.33142	33.8
371.33533	3.1
390.46933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01853	0.6
55.05510	7.0
56.05057	1.1
56.45927	0.6
57.03436	3.5
57.07078	3.2
58.06604	4.7
65.03919	0.7
67.05507	6.6
69.07067	5.8
69.74796	1.8
69.75137	0.6
70.06578	2.5
71.04992	1.7
71.07347	0.8
71.08640	4.1
72.08153	34.6
73.08472	1.0
79.05494	5.3
81.03395	0.6
81.07056	18.1
82.07368	0.9
83.08623	4.1
84.08147	6.1
85.02898	0.9
85.06544	0.7
85.08920	3.0
85.10179	2.1
86.09696	1.8
90.28699	0.7
91.05477	3.7
93.07040	3.6
95.04964	1.5
95.07975	0.7
95.08602	14.7
96.08157	0.7
97.06506	1.1
97.10157	2.1
98.09680	2.1
98.23256	0.8
105.07003	1.7
107.08578	1.9
108.08138	0.5
109.06522	1.3
109.10165	5.2
111.08117	1.1
112.11198	0.6
115.30783	0.5
119.08570	4.7
121.10158	1.3
123.08073	0.9
124.11219	1.5
125.09650	0.5
131.08549	0.8
133.10132	2.3
135.08049	0.7
135.11693	1.2
137.09628	2.4
137.13278	0.6
141.09070	0.5
145.10286	0.6
147.11670	1.1
149.13281	1.2
151.14767	0.8
155.14284	1.5
170.55698	0.5
175.14848	1.3
185.40701	0.5
193.15926	1.0
211.16968	1.2
239.20100	4.2
251.23590	1.0
289.25330	0.9
307.26346	2.5
352.32083	61.9
353.32410	4.6
370.33121	100.0
371.33267	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	370.3315
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
53.03949	0.5
55.05516	4.0
56.03878	0.5
56.05040	0.8
57.03442	1.9
57.05794	0.6
57.07080	0.9
58.48827	0.4
63.15228	0.4
67.05499	2.5
69.07067	3.7
70.06606	2.4
71.04993	5.3
71.07373	0.6
71.08628	0.7
72.08157	100.0
73.08495	1.6
75.17050	0.5
79.05497	1.9
81.07056	3.6
82.06575	0.4
83.04984	1.2
83.08610	2.3
84.08164	0.6
85.06562	0.5
86.09711	2.2
91.05486	1.2
93.07047	2.1
95.08604	3.2
97.06517	2.2
97.10193	0.7
98.22620	0.9
99.04457	0.7
105.07058	0.7
107.08607	0.9
109.10164	1.0
111.08068	0.7
119.08592	0.5
121.10143	1.7
124.11217	2.1
125.04864	0.5
161.05057	0.4
230.82593	0.9
311.82864	0.4
334.31006	2.5
337.61960	0.5
352.32111	18.3
353.32669	2.0
370.33154	63.4
371.33441	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	370.3317
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
53.03963	1.1
55.05511	4.5
57.03446	4.5
57.07064	1.1
57.27534	0.9
57.65909	0.8
58.06605	7.0
59.49838	0.8
60.80459	0.9
63.69674	0.8
67.05507	8.0
69.07066	5.7
69.61741	4.3
70.06596	4.9
71.04996	3.4
72.08157	30.3
72.92104	0.8
79.05502	5.2
81.07053	22.8
83.08624	6.9
84.08127	4.8
85.06538	2.0
85.08916	2.9
86.09692	1.9
86.12395	0.9
91.05444	2.4
92.05775	0.9
93.07043	4.4
95.04939	1.2
95.08044	1.6
95.08607	15.3
97.06504	1.7
97.10171	1.3
98.09672	2.7
101.09674	0.9
103.07996	1.2
105.07021	2.1
107.08566	2.7
109.10152	9.1
110.07183	1.8
112.11248	1.6
119.08572	2.1
121.10172	1.3
123.11681	2.5
124.11166	1.0
132.74171	0.9
133.10139	2.0
135.11713	2.7
147.11720	1.4
161.09724	0.9
165.16379	1.5
175.14774	1.0
197.91629	0.9
207.06714	1.2
228.23262	1.7
229.17949	7.5
251.11751	1.7
254.97653	1.0
265.13354	1.7
290.27054	2.2
307.26343	1.0
311.13828	2.8
317.83435	0.9
324.30392	1.0
334.30859	1.2
352.32092	57.9
353.32477	4.0
354.51855	0.9
370.15436	2.7
370.29675	5.0
370.33176	100.0
371.16019	6.2
371.29016	2.8
371.33545	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	370.368
Annotation	Penazetidine A
Peak:m/z	Relative Intensity
53.03954	0.6
55.05502	3.2
56.05019	0.7
56.95400	0.4
57.03440	4.0
57.07076	13.8
58.06603	4.3
67.05508	6.2
68.05853	0.5
69.07069	5.2
70.06594	2.2
71.07384	0.9
71.08630	10.1
71.31138	0.5
71.31519	0.6
72.08154	29.2
74.06079	0.5
79.05495	5.3
81.07056	23.9
82.07395	0.6
83.08610	3.3
84.08144	5.4
84.08910	0.5
85.08916	2.9
85.10188	4.0
86.09702	1.8
91.05499	0.8
93.07036	2.8
95.04966	17.4
95.08607	8.9
96.05293	0.5
96.08100	0.6
97.06499	0.6
97.10165	2.0
98.09698	1.6
99.08121	0.6
99.11726	0.5
102.09156	2.5
105.07038	0.8
107.08624	2.2
109.10159	3.9
110.09676	1.2
111.11712	1.1
119.08539	0.5
121.10151	0.7
123.11700	2.0
124.08410	0.5
124.11205	1.2
128.10742	1.6
129.11012	0.5
130.08675	0.5
137.13213	0.8
196.16972	0.5
197.18924	0.4
211.20532	2.6
260.82431	0.5
307.26627	0.6
307.29822	4.2
334.30984	0.6
352.32043	3.5
352.35727	46.1
353.36050	4.9
370.24231	1.9
370.33075	6.9
370.36835	100.0
371.29712	0.6
371.33359	0.7
371.37170	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51292	8.1
60.21920	8.4
70.06591	18.3
70.80140	21.0
72.08135	9.5
75.15076	6.9
76.29878	8.1
77.13988	7.4
78.30487	7.3
85.85359	8.2
87.25141	8.1
104.72718	7.9
136.06165	15.8
200.96555	7.4
210.48201	8.5
224.27576	8.7
227.66881	7.7
371.03860	100.0
371.13232	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37282	0.6
60.05653	5.5
69.07030	0.6
70.06595	20.9
70.53825	1.4
72.08131	2.4
83.00936	0.8
84.04482	2.1
84.08118	1.0
86.09698	0.8
91.05769	2.5
91.62717	0.6
95.06078	0.8
97.02892	0.6
97.07636	2.1
101.02000	2.2
110.07147	1.9
112.03575	1.8
112.08701	2.0
115.08673	0.7
116.07108	4.5
118.04620	2.1
130.04620	0.8
130.09772	1.6
132.06136	1.0
132.96567	0.7
136.06157	2.4
137.05576	0.7
140.06693	1.4
142.08252	2.3
145.08086	0.7
152.06693	1.5
153.05087	1.2
154.08278	1.6
155.06653	7.8
156.05006	1.3
157.10934	0.8
158.07858	0.7
158.09200	2.2
160.09314	2.3
168.06207	0.9
169.09398	7.0
170.07755	1.7
171.06113	2.7
171.10921	12.2
172.09305	5.0
172.10876	0.9
173.07739	19.3
174.07892	1.5
175.11920	12.6
177.00926	2.9
187.05592	0.7
187.10428	5.2
188.10582	0.8
189.00948	1.0
189.10298	0.9
189.11978	14.5
190.12044	0.7
196.09328	1.9
197.08679	4.7
197.10364	1.4
198.07210	1.5
200.08888	0.9
201.00888	0.7
203.02507	3.1
204.02531	1.3
206.11449	1.1
215.09938	15.7
216.08224	3.7
216.10022	1.7
219.02054	1.5
220.02065	0.7
221.12506	1.7
222.10869	6.6
223.09181	2.9
224.12430	9.1
226.97926	1.1
229.00356	0.9
229.04083	2.4
230.04451	0.8
231.02017	1.1
232.98221	2.0
233.10811	8.9
234.10866	4.8
239.11404	0.7
239.13493	4.0
240.11940	19.7
241.04158	0.8
241.12035	2.1
248.13513	0.8
249.11925	2.1
251.13525	22.8
252.11906	2.7
252.13858	2.3
255.02188	0.7
255.05113	1.8
257.03561	2.2
259.05295	0.8
265.02130	0.7
265.08694	1.3
265.11530	2.7
266.14563	3.0
267.01904	1.7
267.12912	3.6
268.97772	1.2
269.14584	100.0
270.12680	3.5
270.14807	8.1
270.96851	1.4
275.01749	0.7
276.04279	0.9
276.13058	1.7
283.00034	0.7
285.03265	0.8
288.04245	1.5
288.98126	1.7
293.15738	5.4
294.14017	5.8
299.00940	2.1
301.00632	1.6
309.10287	0.9
311.04578	1.2
311.16763	49.8
312.16809	5.5
317.02109	1.2
328.95215	0.8
329.01685	3.0
329.17615	0.6
330.02258	1.0
336.16235	2.2
347.03296	0.9
352.68942	0.6
352.97052	1.3
353.18948	23.0
354.18753	2.8
355.07187	0.8
370.54254	0.7
370.98148	1.3
371.19989	57.2
372.20197	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	371.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.5
60.05657	6.7
70.06594	18.0
71.27984	0.8
72.08143	1.2
73.04733	1.9
79.96116	0.5
83.00966	1.0
84.08115	1.5
86.09672	1.5
86.95920	0.5
91.05802	4.3
97.02869	0.7
97.07646	1.2
98.97600	3.2
101.01964	1.0
110.07173	1.2
112.03576	1.6
112.08692	1.6
115.08733	0.5
116.07104	4.5
116.98620	1.7
118.04619	1.4
122.07114	0.7
122.20899	0.5
124.53304	0.4
127.08671	0.5
130.04601	1.1
130.09758	2.4
132.06207	0.7
134.99672	0.9
136.06206	4.7
137.05663	0.8
142.08253	2.0
152.06697	1.7
153.05087	0.9
153.09769	0.5
154.08240	1.4
155.06642	8.0
156.05014	0.6
157.10825	0.8
158.09238	1.6
160.09282	1.6
168.06178	0.6
169.09361	5.7
170.07713	1.6
170.09232	0.6
171.06146	1.5
171.09550	0.8
171.10927	11.3
172.09363	4.7
172.10831	1.0
173.06274	1.0
173.07739	14.5
173.09186	0.5
174.07877	1.1
174.97510	0.6
175.10399	0.6
175.11911	11.2
177.00983	2.7
178.01096	0.8
179.00769	1.0
181.00446	0.6
186.07236	0.9
187.05621	0.6
187.10402	4.4
189.00900	0.6
189.11986	11.4
190.11957	0.6
195.09827	0.6
196.09351	1.8
197.08731	4.5
198.07295	1.2
200.08890	0.6
203.02458	0.8
214.14052	0.5
215.09912	15.6
216.08279	3.6
216.09993	0.9
216.98636	2.2
217.00496	2.5
219.02007	3.2
220.02133	0.8
221.01758	1.1
221.12495	1.3
222.10875	6.5
223.09302	1.2
224.12460	7.0
232.98230	1.5
233.10831	6.5
233.98346	1.1
234.10918	6.4
234.99713	4.6
235.01715	0.7
235.11267	0.5
238.10262	0.6
239.13446	3.8
240.11929	15.1
240.14276	0.9
241.04091	0.7
241.12097	1.7
249.12032	1.7
251.13539	21.7
252.11575	3.0
252.14198	1.0
257.03705	0.7
258.12555	0.9
263.02963	1.6
265.02472	0.8
265.11499	0.7
266.14697	2.4
267.13028	4.3
268.97827	1.2
269.14590	100.0
270.12808	4.7
270.14896	6.6
273.08749	0.8
275.01996	1.1
276.01761	0.6
276.13120	1.3
282.06808	1.1
285.00824	1.3
290.09296	1.3
293.15714	5.5
294.14001	5.5
294.16614	0.5
295.12427	0.7
300.08884	0.5
301.00775	0.9
303.01450	0.6
304.10922	0.9
311.16766	49.1
312.07913	1.9
312.17288	4.4
329.02148	0.9
329.05600	0.7
329.17859	0.9
330.02612	1.2
330.09052	8.7
335.17975	0.5
336.16315	2.5
347.06653	1.6
348.08224	2.2
353.18967	23.9
354.19119	3.1
355.07047	1.4
371.20004	60.5
372.10034	3.7
372.20282	6.9
389.05368	1.5
390.04697	1.1
390.10828	1.7
394.58981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05541	3.1
69.03413	4.9
69.06220	19.3
69.07080	5.5
70.06598	13.3
71.05018	3.7
72.07753	6.3
72.08156	100.0
73.08480	4.1
78.14527	2.3
79.05501	5.7
81.07060	7.4
84.08161	6.4
85.02874	6.3
86.09715	9.9
89.06055	5.0
91.05474	2.9
93.07061	6.0
93.11228	2.7
95.04975	9.9
95.08620	7.9
98.23337	6.3
105.07011	5.8
107.04970	4.8
107.08593	11.1
109.06580	3.3
110.09716	3.4
111.10020	3.0
114.09183	2.8
119.08620	3.7
120.08116	7.9
121.08414	2.8
121.10161	5.7
128.10725	13.3
129.10181	2.8
129.11082	2.8
133.10153	21.4
135.08081	7.4
137.09613	11.5
149.13266	5.6
156.05795	4.2
167.07092	11.9
173.13301	5.6
175.07538	3.6
180.73033	2.6
191.14326	34.6
207.08075	3.4
217.08667	9.3
247.07483	3.2
251.11839	9.5
265.13379	8.6
279.10300	2.9
293.12683	2.7
307.09512	3.3
311.13745	5.9
321.57846	3.7
339.12549	3.4
354.26410	4.6
371.16318	27.8
371.20383	4.0
371.25787	5.0
371.29431	42.5
372.27420	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62891	0.6
55.05507	0.8
55.10780	0.6
56.05024	0.5
57.03418	0.9
62.63721	0.5
67.05492	2.3
69.03411	1.9
69.07063	1.3
70.06594	3.6
71.04980	1.2
71.29762	1.1
72.08159	50.9
73.02894	0.7
73.08490	1.0
74.40364	0.6
79.05492	2.7
81.03441	0.9
81.07069	4.3
83.04970	0.6
84.08153	1.6
85.02908	5.1
85.06530	2.6
85.56198	0.5
86.09693	1.1
89.25251	0.5
91.05465	5.6
93.07046	4.1
95.04973	3.0
95.08615	3.1
97.02878	2.1
97.06530	4.1
99.08086	1.2
103.05458	0.9
105.07032	15.0
107.04895	0.6
107.08591	3.0
109.02848	0.9
109.10157	1.1
111.04408	0.7
111.08044	1.2
114.09169	1.1
115.07558	0.6
117.06984	0.9
119.08578	6.9
121.10145	2.7
123.08031	1.4
124.11279	1.5
124.12197	0.6
125.51527	0.5
127.03891	1.2
129.07010	1.4
131.08566	12.6
133.10130	100.0
134.10442	3.4
135.08055	2.5
135.11679	1.5
143.08574	2.3
145.04944	1.1
145.10115	7.0
147.11693	4.6
149.09621	1.3
149.13252	2.8
158.10918	6.4
164.92416	0.7
167.07085	0.9
168.13797	0.6
173.13264	46.1
173.46263	0.5
173.97018	0.6
174.13600	2.6
174.66742	0.6
175.14862	3.6
178.08635	1.4
191.07117	0.9
191.14310	27.7
192.14684	1.0
209.15344	5.4
264.64017	0.6
265.13495	0.6
280.22806	0.8
353.28665	1.0
354.26242	1.2
371.16122	2.5
371.24948	0.7
371.29160	20.0
372.19037	2.0
372.27252	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05541	3.1
69.03413	4.9
69.06220	19.3
69.07080	5.5
70.06598	13.3
71.05018	3.7
72.07753	6.3
72.08156	100.0
73.08480	4.1
78.14527	2.3
79.05501	5.7
81.07060	7.4
84.08161	6.4
85.02874	6.3
86.09715	9.9
89.06055	5.0
91.05474	2.9
93.07061	6.0
93.11228	2.7
95.04975	9.9
95.08620	7.9
98.23337	6.3
105.07011	5.8
107.04970	4.8
107.08593	11.1
109.06580	3.3
110.09716	3.4
111.10020	3.0
114.09183	2.8
119.08620	3.7
120.08116	7.9
121.08414	2.8
121.10161	5.7
128.10725	13.3
129.10181	2.8
129.11082	2.8
133.10153	21.4
135.08081	7.4
137.09613	11.5
149.13266	5.6
156.05795	4.2
167.07092	11.9
173.13301	5.6
175.07538	3.6
180.73033	2.6
191.14326	34.6
207.08075	3.4
217.08667	9.3
247.07483	3.2
251.11839	9.5
265.13379	8.6
279.10300	2.9
293.12683	2.7
307.09512	3.3
311.13745	5.9
321.57846	3.7
339.12549	3.4
354.26410	4.6
371.16318	27.8
371.20383	4.0
371.25787	5.0
371.29431	42.5
372.27420	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.229
Annotation	Ala-Leu-Ala-Pro
Peak:m/z	Relative Intensity
55.05498	1.5
56.05029	1.1
57.03457	0.5
57.80158	0.5
58.06609	0.7
60.05651	1.3
63.71462	0.4
69.03432	1.2
69.06736	0.5
69.07077	7.0
69.33605	1.6
69.34039	1.6
70.06593	50.4
71.06928	1.2
72.08157	10.7
74.06063	0.7
80.46275	0.4
81.07063	1.3
84.04513	3.4
84.08146	3.4
85.02932	0.5
86.09708	100.0
87.10037	2.1
98.06048	0.8
102.05549	0.8
107.04953	0.5
107.08614	0.6
109.02940	0.4
109.06503	0.5
110.07174	1.0
112.08743	1.4
114.09194	0.7
115.08697	8.6
116.07091	26.8
129.10236	2.7
130.05060	0.7
130.09720	0.7
132.10138	0.5
140.08179	0.8
141.10262	1.5
143.08130	5.5
144.06581	1.9
147.04468	0.9
147.32648	0.5
148.06027	0.8
149.09631	0.5
153.05489	1.0
156.07748	0.5
157.09692	0.6
157.10852	0.6
157.13387	0.6
158.09286	0.9
161.09245	1.6
163.03937	0.6
169.09737	1.4
175.11911	5.9
183.14981	1.6
187.10880	0.8
188.32295	0.4
191.14308	0.9
197.12816	0.7
201.12439	0.7
209.07147	1.1
209.15410	0.6
211.14478	4.0
215.13919	6.9
228.17075	0.8
229.15503	3.7
255.14511	0.9
256.16632	4.3
258.14432	2.9
300.18933	0.7
353.22461	0.5
371.17148	2.5
371.23953	8.1
372.16040	0.6
372.23648	0.9
392.09756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05064	0.3
56.64665	0.2
57.03446	0.3
59.05008	0.4
67.05499	0.3
68.61385	0.2
69.03432	1.3
69.07076	0.4
69.60132	0.4
69.60523	0.9
70.06593	3.8
71.04990	0.2
72.08157	7.1
72.08543	0.5
73.06553	0.8
79.05501	0.4
81.07072	0.7
83.04970	0.5
84.04492	1.1
84.08142	0.9
85.02907	0.9
86.09702	4.0
87.04473	3.3
89.06030	100.0
90.06354	1.3
91.07623	0.5
93.07037	0.6
94.99802	0.3
95.04977	3.7
95.08610	0.5
97.02889	0.4
98.23293	0.3
99.04471	0.8
102.05553	0.5
105.07047	0.6
107.07066	1.8
107.08598	1.1
109.06551	0.6
110.07188	0.3
111.08088	0.4
112.08692	0.5
114.09156	0.6
116.07110	0.3
119.08556	0.3
120.08098	0.4
121.10180	0.6
125.09607	1.8
127.03850	0.3
127.08698	0.4
129.10239	4.9
130.08678	0.5
131.07040	0.8
132.10210	0.5
133.08601	43.9
133.35205	0.3
134.08943	1.2
135.08054	0.8
147.11569	0.3
149.09590	0.6
152.06970	0.4
153.09088	1.2
155.08171	0.6
157.09734	2.2
163.11232	0.4
163.14774	0.4
168.13808	0.3
173.13275	1.4
175.09720	0.3
177.11221	9.0
187.10820	0.9
191.14310	4.9
192.14568	0.4
209.15355	5.8
209.17273	0.4
210.15825	0.3
221.13803	0.9
239.15022	0.3
272.12405	2.0
283.17563	0.5
326.26584	0.4
327.20313	0.5
358.34723	0.3
364.49078	0.3
366.78705	0.4
371.16843	1.3
371.22998	1.4
371.29041	1.0
372.27451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20307	3.1
55.05515	33.5
55.14574	3.4
56.96572	3.3
57.03428	18.0
57.07071	13.1
67.05503	77.1
69.07078	23.1
70.42165	7.4
71.05013	4.3
71.08633	27.8
76.97118	2.6
79.05498	31.2
81.07054	100.0
83.04986	6.5
83.08631	21.1
85.06567	4.5
85.10181	17.7
89.03262	4.0
91.05457	22.3
93.07050	30.6
95.08610	79.4
97.06514	6.6
97.10161	10.4
99.08083	29.3
105.07038	19.5
107.08581	17.2
109.10162	19.1
111.08134	5.4
113.09637	31.1
118.97368	3.6
119.08591	14.3
121.10154	14.2
123.08115	4.7
123.11703	10.4
131.08572	8.5
133.10143	18.8
135.11693	13.6
137.13272	9.2
145.10101	6.1
147.06540	4.2
147.11720	19.5
149.13284	13.2
159.11707	5.1
161.13303	8.7
163.11293	3.7
163.14828	9.2
165.12744	7.0
167.14299	3.8
173.13295	6.1
179.14377	6.1
180.56519	3.5
186.52982	3.3
214.97182	3.3
233.22789	4.1
243.21155	6.6
261.22205	12.0
279.23193	33.3
317.79422	3.6
330.23300	3.8
353.26886	13.7
354.33267	4.0
371.27988	11.7
372.24277	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70307	3.1
55.01865	3.1
55.05516	25.1
57.03434	10.8
57.07077	34.4
59.49677	3.0
61.85277	3.3
67.05510	79.0
69.06725	4.1
69.07074	38.7
69.29900	14.1
70.57066	2.8
71.04995	5.0
71.08646	3.2
79.05498	33.3
81.07059	76.8
83.04971	9.4
83.08624	22.3
85.06558	2.9
85.10187	80.1
89.06057	3.6
91.05481	33.5
93.07056	34.5
95.08607	51.2
97.06516	12.1
97.10160	8.9
98.07689	2.6
99.08127	7.1
101.06052	3.7
105.07047	15.7
107.08615	21.2
109.06491	3.5
109.10152	22.5
111.08078	4.7
112.13241	3.1
113.09648	100.0
114.09996	2.7
119.08571	4.0
121.10139	20.3
123.11707	11.3
131.08560	9.6
131.10689	5.2
133.09224	4.0
133.10141	47.4
135.11702	10.0
137.13229	4.2
139.11267	3.4
145.10083	4.3
147.11638	6.2
149.09596	16.9
149.13272	42.9
151.11205	11.4
151.14796	3.2
153.12753	4.2
159.11772	4.6
161.99873	3.9
165.12718	3.1
167.14348	18.7
173.11816	5.2
173.13210	5.4
177.16423	3.7
181.15891	6.8
187.13286	3.1
243.21068	13.9
261.22195	27.8
262.22693	3.1
279.23190	75.8
280.23489	7.0
353.26831	50.5
371.28000	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01855	5.1
55.05512	36.3
55.63707	2.3
56.05030	5.0
56.71749	2.4
57.03435	13.8
57.07082	16.5
58.06596	5.4
62.06067	4.2
62.85102	2.7
65.03954	4.4
67.05506	90.6
69.03418	4.4
69.07069	38.5
70.06599	3.9
71.04993	7.0
71.08634	86.9
72.08157	53.7
74.06101	2.9
79.05492	46.6
81.06586	5.5
81.07059	100.0
83.04981	8.2
83.08630	29.3
85.06532	8.2
87.04449	6.5
88.07623	10.4
91.05479	33.2
92.05796	5.3
93.07047	33.6
95.04968	14.8
95.08610	71.2
96.05284	3.0
96.08929	4.1
97.06514	11.1
97.10155	20.8
98.22485	3.5
99.08089	64.6
105.07030	25.0
107.08591	32.9
108.08123	2.7
109.10159	43.6
111.08094	4.5
111.11778	3.7
113.09584	3.7
117.06994	6.9
119.08594	14.5
121.10144	22.3
123.08087	4.1
123.11709	10.8
125.09614	8.4
127.11198	4.5
130.05031	3.6
131.08559	12.6
133.10118	6.6
135.08087	3.3
135.11711	22.9
137.13261	9.2
138.33820	2.4
145.10115	11.3
147.11671	43.5
149.09674	3.5
149.13274	4.2
151.67982	3.3
153.09154	3.2
153.12756	13.9
159.11726	4.8
161.13199	7.4
163.11209	8.6
163.14807	21.0
165.12764	20.6
167.14362	5.7
173.11740	8.8
173.13197	5.6
177.16406	3.1
181.15883	10.0
187.14799	5.8
189.11198	5.0
191.14268	3.2
195.11807	2.8
214.19933	2.8
227.15218	2.7
242.99915	2.7
243.20979	19.5
258.13892	4.5
259.14047	4.1
261.22147	36.1
275.11041	3.0
279.23206	70.8
280.23407	7.1
284.34473	2.7
304.60736	2.9
308.30136	3.5
324.32581	5.0
353.26901	46.0
353.31476	3.4
353.32291	2.7
353.36090	22.2
354.27301	3.5
354.33502	4.5
371.28778	5.2
371.37238	51.7
372.34616	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69587	2.7
53.03921	6.1
55.01848	3.1
55.05510	30.6
57.03446	21.9
57.07068	11.8
64.07594	3.2
65.03947	4.9
67.05183	4.7
67.05510	73.1
68.00423	3.0
69.07071	24.1
71.04982	5.6
71.08636	30.5
77.84354	3.1
79.05496	30.7
79.80576	3.3
81.07059	100.0
83.04984	5.7
83.08624	25.3
85.10166	21.9
91.05464	20.6
93.07041	34.5
95.04974	3.4
95.08617	80.7
97.06512	9.2
97.10169	5.9
99.08105	32.8
101.06004	3.8
105.07043	20.7
107.08591	20.6
109.10136	16.5
111.08078	3.8
111.11726	3.6
113.09635	34.2
119.08604	18.4
121.10137	11.7
122.63731	3.4
123.08105	3.5
123.11697	12.0
127.66683	3.2
131.08556	9.5
133.10092	18.6
135.11729	17.1
135.43782	2.8
137.13228	7.0
145.10118	7.3
147.11699	15.2
149.09610	3.6
149.13264	7.5
151.14885	4.4
153.12794	3.8
159.50032	3.6
161.13240	9.8
163.11214	4.6
163.14809	6.4
165.12740	6.3
167.14325	4.4
173.13278	7.2
177.16512	3.6
179.14311	9.2
187.14888	3.5
191.14336	3.6
209.15282	4.2
234.11891	3.5
243.21098	9.9
261.22131	12.5
279.23193	43.3
280.23300	4.3
353.26932	18.5
371.27872	12.8
372.24069	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	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.0
57.03423	4.0
57.07076	27.1
67.05507	42.5
69.07070	10.2
69.84762	8.9
72.08141	2.5
78.09831	2.7
79.05470	13.1
81.07058	31.9
83.04976	6.1
83.08622	10.8
85.10180	67.8
91.05460	28.7
92.15848	2.4
93.07039	18.6
95.08612	24.0
97.06534	6.0
97.10183	6.8
105.07025	12.1
107.08597	14.2
109.10146	8.2
111.08094	2.9
113.09646	100.0
113.10424	5.1
114.09995	3.3
119.08590	3.0
121.10184	11.7
123.11670	4.2
123.52959	2.7
129.05499	3.3
131.08568	6.0
131.10643	3.7
133.10126	45.0
135.11725	4.7
137.13301	3.3
147.11671	3.8
149.09634	7.5
149.13254	37.4
151.11220	12.3
153.12807	3.3
155.52826	2.4
159.11755	4.0
165.12720	4.2
167.14308	16.2
181.15862	6.0
193.30600	2.7
243.21057	10.7
253.98683	2.6
261.22165	20.5
265.82333	2.8
273.47229	2.7
279.23212	62.5
280.20517	3.0
280.23560	6.3
353.26752	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02161	2.7
53.03925	2.5
55.01862	3.1
55.05523	15.9
57.03443	7.9
57.07077	6.8
67.05510	53.3
69.07068	14.8
71.04987	2.0
71.08640	100.0
72.08942	2.1
79.05501	26.2
81.07061	66.1
83.04988	7.6
83.08623	13.8
85.06548	4.8
85.10194	4.7
87.04487	5.1
89.45395	2.1
91.05476	29.7
93.07056	22.1
95.04938	2.6
95.08617	53.0
97.06514	10.1
97.10173	6.9
99.08103	86.2
100.08461	2.5
105.07043	27.7
107.08601	14.9
109.10151	16.2
111.08084	4.1
113.09672	9.0
117.09142	3.1
119.08584	19.0
121.10137	16.1
123.08035	5.0
123.11712	6.2
127.11199	5.0
131.08556	12.9
133.10164	7.1
135.11700	12.8
137.13257	6.3
138.84233	1.9
145.10115	9.9
147.11703	65.3
148.12016	4.5
149.13293	8.3
151.11192	5.8
151.14874	2.4
152.08453	2.3
153.12744	13.5
159.11728	3.3
161.13266	8.2
163.11227	11.6
163.14828	15.3
165.12755	24.2
167.14398	7.6
173.13312	9.7
181.15901	10.7
194.02522	2.1
211.79530	2.2
219.26755	2.3
233.22685	4.7
243.21048	19.4
251.23743	5.3
261.22150	31.2
279.23215	91.6
280.23541	7.8
353.26895	43.9
354.27219	4.6
371.27737	2.9
372.31030	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92171	2.3
53.03936	3.3
55.01869	6.9
55.05513	35.5
57.03437	7.4
57.07068	6.9
62.01046	2.6
67.05508	100.0
67.64764	2.1
69.03401	2.7
69.07069	47.1
69.49873	5.8
69.50284	8.3
69.93452	2.4
71.04992	6.4
71.08617	5.1
72.08142	2.3
72.95466	2.2
79.05499	38.6
79.26015	2.3
81.07059	80.4
82.07370	2.8
83.04967	7.1
83.08619	22.4
84.38629	2.7
85.06545	6.6
87.04467	6.7
88.07638	5.7
91.05485	14.1
93.07049	39.5
95.08610	71.0
97.06532	12.6
97.10179	15.9
100.82382	2.2
102.29218	2.5
105.07045	9.0
107.08595	25.0
109.10152	46.5
109.80478	2.4
111.08081	6.9
117.07014	6.1
117.74696	2.2
119.08582	7.3
121.10175	14.0
123.11718	15.2
125.09627	9.9
131.08577	7.1
133.10118	9.1
135.08081	4.4
135.11693	28.2
137.09560	4.2
137.13271	9.8
145.10136	4.9
147.11649	9.6
149.13245	7.5
151.14807	5.0
153.11670	2.7
153.12785	15.6
156.25601	2.5
159.11697	7.7
161.13245	3.9
163.14787	2.9
173.11749	7.2
173.13165	5.6
174.12262	3.0
175.14714	3.4
179.14429	3.2
185.27495	2.2
187.14815	6.2
189.11162	4.6
191.14256	3.1
195.13847	3.1
201.16342	3.1
227.12982	3.1
233.22751	3.4
243.21043	10.7
261.22141	28.9
279.23203	48.4
280.23398	6.4
324.32535	3.8
343.79999	2.5
353.26999	32.1
354.26935	3.4
371.27951	4.0
372.34735	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15862	0.2
55.05510	0.5
56.05038	1.6
57.03449	0.5
57.05816	0.6
58.06605	0.3
67.05513	0.7
69.07056	0.3
70.06593	2.6
71.06158	0.4
72.08156	100.0
73.08475	1.2
79.05500	0.5
81.07057	1.1
82.66339	0.2
84.08157	1.5
86.09702	0.6
91.05820	0.3
93.07079	0.4
95.04980	0.2
95.08598	0.6
96.08149	0.3
97.06463	0.3
100.07625	0.3
107.08594	0.4
110.60004	0.2
114.09204	0.3
117.74329	0.2
124.11235	2.6
147.06516	0.3
163.23521	0.3
168.13841	1.1
230.35513	0.4
248.36592	0.3
262.21774	0.3
263.07111	0.3
280.22708	2.1
281.23209	0.3
293.11612	0.2
308.22687	0.3
308.25775	1.4
310.27423	0.9
326.26730	1.4
353.09998	0.5
353.28543	1.7
371.29080	53.4
372.29517	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	371.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01869	0.5
55.05521	1.5
56.05041	1.3
57.03441	1.8
57.05829	0.4
57.07071	0.3
58.06608	1.1
59.05000	0.3
65.03970	0.2
67.05509	6.7
68.05840	0.2
69.03439	0.2
69.07069	1.3
70.06596	3.4
71.04996	1.4
71.07376	0.7
71.30083	0.3
72.08158	100.0
73.06561	0.3
73.08488	1.5
79.05492	3.2
81.03429	0.3
81.07060	11.1
82.06602	0.3
82.07387	0.4
83.04971	0.8
83.08614	1.0
84.08150	1.5
85.02908	0.3
85.06544	1.2
86.09709	2.5
88.07632	0.2
91.05460	1.7
92.05803	0.2
93.07048	2.7
95.04978	0.7
95.08605	3.8
95.09159	0.3
96.08151	0.7
96.08920	0.2
97.06533	1.8
97.10179	0.3
98.09708	0.2
99.04396	0.2
100.07636	0.5
101.08444	0.2
102.09200	0.5
105.07045	1.5
105.14716	0.2
107.04974	0.2
107.08586	1.6
108.08163	0.2
109.06546	0.4
109.08891	0.3
109.10172	1.5
110.09682	0.4
111.04454	0.2
111.08108	0.3
112.11216	0.3
114.09180	0.4
114.42568	0.2
115.53255	0.2
117.07000	0.4
119.08570	1.2
121.06519	0.2
121.10153	2.2
122.09689	0.2
123.08063	0.8
123.11717	2.3
124.11243	2.0
128.10742	0.4
131.08557	0.6
133.09319	0.2
133.10101	0.9
135.08089	0.4
135.11700	0.5
137.06049	0.2
137.09634	0.2
138.09172	0.2
140.10692	0.2
141.12778	0.2
143.08588	0.2
145.10132	0.7
147.11769	0.2
149.09544	0.3
149.13290	0.2
151.11198	0.3
159.11676	0.4
161.13310	0.3
167.06990	0.4
168.13890	0.2
173.13309	0.3
174.82727	0.2
182.15401	0.2
185.15320	0.2
187.13336	0.9
187.14792	0.3
191.14317	1.7
200.57196	0.2
209.15417	0.2
214.14467	0.4
223.16916	1.1
230.35739	0.3
237.10281	0.4
250.11122	0.2
251.11829	0.4
263.20010	0.2
265.09628	0.3
266.10004	0.2
271.64481	0.2
280.22852	0.5
308.25894	0.5
310.27310	0.2
311.10294	0.5
311.13824	0.4
326.11115	0.3
326.26910	0.8
335.27078	1.8
339.11096	0.5
344.28113	0.2
353.28046	13.0
354.26913	0.7
354.29138	0.8
371.16861	1.1
371.29083	63.6
372.19510	1.6
372.28503	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	371.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
56.05032	0.6
57.03442	3.5
57.07076	4.3
65.39777	0.5
67.05503	3.3
69.07072	3.6
70.06590	2.5
70.21733	1.1
71.05006	0.6
71.07384	1.6
71.08638	1.9
72.08157	86.4
73.08481	1.2
79.05491	1.8
81.07055	4.2
82.06574	0.4
83.08592	2.7
84.08160	1.2
85.10167	2.5
86.09707	7.2
86.10227	0.4
91.05496	0.5
93.07056	1.5
94.27129	0.4
94.77672	0.4
95.08608	6.9
96.08127	0.8
97.06527	2.0
97.10139	0.6
102.09180	0.6
107.08604	1.1
109.10147	2.3
119.08612	0.4
121.10158	1.5
123.11701	0.5
124.11207	1.8
125.09592	0.5
129.98076	0.4
135.11713	0.9
149.13237	0.7
151.14644	0.3
169.15889	1.2
197.18976	0.5
230.33699	0.8
295.27612	0.5
308.02539	0.4
308.29453	2.1
326.30569	6.1
327.22903	1.6
327.31116	0.5
335.30548	0.8
344.31570	10.2
345.31961	1.1
353.31641	2.1
355.96732	0.4
371.32678	100.0
372.28674	11.1
372.33047	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	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	10.0
64.93508	2.3
65.20094	2.1
71.28774	2.1
72.08147	3.9
74.27959	2.4
80.94868	5.6
86.02030	2.3
93.26085	2.3
97.02901	3.2
100.00953	2.3
110.97585	2.5
115.12020	2.2
128.98596	3.8
171.03310	2.7
199.06520	4.6
203.05989	3.5
215.53473	2.3
217.07521	7.0
223.02834	3.0
246.62996	2.5
267.09229	3.0
277.08652	2.6
310.30969	2.9
314.45987	2.3
331.15695	20.0
349.16870	100.0
350.17328	5.3
372.18802	3.5
372.34973	11.4
373.13776	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	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05521	1.1
56.05041	0.8
57.03437	0.8
57.05819	0.4
58.06601	1.0
67.05513	2.2
67.90416	0.2
67.97951	0.2
69.03419	0.3
69.07080	0.8
70.06596	3.1
70.34280	0.8
71.04999	0.7
72.08158	100.0
73.08490	2.8
73.70704	0.2
74.67058	0.2
79.05499	1.1
80.82887	0.2
81.03424	0.2
81.07068	2.0
83.04996	0.6
83.08624	0.5
83.41471	0.2
84.08148	3.3
85.06548	0.4
86.06100	0.3
86.09705	2.1
91.05478	1.4
94.06575	0.2
95.04986	1.0
95.08615	1.8
96.08159	0.6
97.06539	0.6
97.58983	0.2
98.09711	0.3
99.04466	0.3
100.07615	0.4
102.09193	1.0
105.07051	0.8
107.04966	0.3
107.08583	0.8
109.10173	1.1
110.09685	0.8
111.04438	0.2
111.08080	0.6
112.76991	0.2
114.09190	0.9
119.08610	0.6
121.10168	0.6
123.59110	0.3
124.11219	2.2
128.10706	2.0
129.10234	1.6
131.08601	0.3
133.10149	1.1
135.11703	0.4
137.09608	0.3
145.10170	0.3
147.11606	0.2
149.09563	0.3
151.11177	0.3
161.09590	0.4
173.11739	0.2
174.02698	0.2
177.32796	0.2
192.14740	0.3
212.11073	0.2
228.16060	0.2
245.06563	0.3
294.24225	0.4
310.24017	0.3
310.27338	0.9
336.25241	0.5
354.26288	4.1
354.29977	0.5
355.26846	0.4
372.19037	1.4
372.27380	47.4
373.18652	0.5
373.27689	4.9
385.56342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01298	0.2
54.75880	0.3
55.05511	0.4
56.05034	0.5
57.03436	1.0
57.05806	0.4
58.06606	0.3
67.05513	2.1
69.07087	0.3
70.06586	1.8
70.32995	0.5
70.33328	0.3
71.00271	0.2
71.05026	0.3
72.08160	100.0
73.08489	1.6
79.05491	0.5
81.07069	2.3
84.08154	0.6
85.06551	0.4
91.05490	0.6
94.81530	0.2
95.08617	0.6
96.08114	0.4
97.06550	0.3
107.08571	0.4
109.10181	0.7
121.10170	0.4
123.11743	0.5
124.11217	1.8
133.10153	0.5
166.00439	0.3
187.13324	0.7
229.87624	0.3
263.20111	0.3
288.15732	0.3
292.26376	0.3
308.25793	1.2
310.27356	0.6
326.26862	1.2
354.26401	1.4
372.27441	53.5
373.27795	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	372.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05513	5.5
56.05036	0.8
57.03438	1.4
57.05802	0.4
57.07074	1.6
58.06600	1.3
59.04981	0.6
60.34058	0.3
63.86451	0.3
67.05506	7.9
69.03446	0.3
69.07073	5.2
69.71724	1.5
70.06586	2.8
71.05001	0.7
71.07372	1.2
71.08651	1.0
72.08157	82.3
73.08486	1.5
79.05499	5.3
81.06588	0.6
81.07057	7.8
83.04999	0.5
83.08613	2.5
84.08147	1.2
85.06546	0.7
86.09705	5.8
91.05469	1.7
95.04959	0.6
95.08601	6.9
96.08955	0.4
97.02923	0.6
97.06528	1.1
97.10171	1.4
98.09680	0.7
99.48759	0.4
100.07631	0.5
101.08382	0.9
102.09203	1.5
105.07056	1.0
107.08617	2.5
109.10151	2.2
111.08070	0.5
111.11681	0.4
117.06975	0.5
119.08614	0.8
121.10132	3.1
123.11722	0.5
124.11208	0.4
133.10132	0.6
135.11693	1.3
147.11755	0.4
152.31741	0.4
183.02954	0.7
184.17108	0.4
190.33820	0.3
229.84106	0.7
270.72931	0.4
282.17456	0.3
300.06165	0.5
318.31699	0.7
325.98779	0.3
327.08490	0.4
327.22800	1.5
328.23099	0.5
336.32599	3.7
343.08258	3.8
354.29276	0.7
354.33636	12.7
355.33835	0.9
358.10645	0.5
372.28967	7.0
372.34720	100.0
373.12781	3.8
373.29807	0.6
373.35034	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	372.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
56.05033	0.9
57.03429	2.1
57.05815	0.6
57.07085	4.4
67.05508	3.6
67.09669	0.5
69.07075	3.7
69.12776	1.4
69.13183	2.6
69.91876	0.4
70.06606	2.5
71.07355	0.6
71.08627	3.5
72.08158	100.0
73.08491	1.9
79.05489	1.3
81.07055	4.0
83.04977	0.5
83.08620	1.7
84.08126	1.2
84.46067	0.5
85.06527	0.6
85.10187	1.3
85.43924	0.6
86.09712	2.2
95.08600	5.4
97.06541	1.6
97.10164	1.6
98.22562	0.8
101.42462	0.4
102.09178	1.0
107.08578	0.7
109.10183	2.2
111.57823	0.5
121.10162	0.7
123.11706	0.9
124.11256	3.3
163.44128	0.5
164.68617	0.5
226.68839	0.4
229.84132	0.8
262.22217	0.6
336.32568	2.2
354.33679	20.5
355.33987	2.3
372.34726	72.1
373.35077	7.1
392.56418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16972	1.1
58.06591	1.9
67.05500	1.8
69.00461	1.4
69.00780	12.7
69.07043	1.3
70.06593	6.3
72.08154	3.6
79.05496	2.5
80.06785	1.5
81.07065	1.5
84.08154	4.0
86.09705	17.1
88.84653	1.5
89.03909	1.6
89.23522	1.3
89.64014	1.2
91.05474	12.7
93.07027	1.9
94.03656	1.4
94.04195	5.2
95.04977	3.2
102.04723	1.6
103.05466	4.8
105.07033	4.5
107.04959	1.8
115.05457	6.0
117.03398	3.6
119.04955	7.8
121.06490	2.4
122.03668	7.3
122.89958	1.4
123.04370	2.6
124.05174	1.6
129.10249	2.7
130.04103	2.6
131.04929	3.8
133.06490	3.1
135.04396	3.4
137.05978	100.0
138.06284	2.1
143.04903	1.5
145.02826	4.0
145.06506	7.9
147.04396	10.0
149.05963	4.8
150.06813	6.2
151.07512	3.2
157.13319	2.5
158.03606	4.9
159.04414	1.9
160.05125	1.4
161.05954	6.9
162.06749	4.8
163.07559	1.9
165.05493	1.9
165.07001	1.3
173.05974	13.8
175.03938	1.9
175.07553	2.6
177.05476	8.0
177.06931	2.6
178.07690	1.6
179.07048	3.8
181.06490	1.3
186.03151	4.1
187.03749	2.0
189.05449	2.4
189.06989	1.5
189.12315	3.0
193.04984	3.9
194.07297	1.7
201.05447	49.3
202.05867	2.1
203.07050	3.1
204.04187	4.1
205.06487	6.6
206.07196	2.4
207.06508	8.2
207.08165	1.8
219.06427	14.7
221.05966	2.2
222.06776	3.9
231.06551	4.5
233.06009	5.7
234.06784	3.9
235.07468	2.3
237.09161	4.2
245.05730	1.5
249.05556	2.0
249.09142	1.7
250.06235	4.8
251.07109	2.3
253.08611	2.6
262.06189	3.3
263.06888	1.9
264.07788	2.1
265.08652	9.9
266.09354	2.0
277.08615	5.1
278.05811	2.9
279.06604	2.3
281.08304	1.9
283.09540	4.3
292.07397	3.9
293.08112	8.8
295.09592	2.0
297.11078	2.5
305.08151	4.0
307.09552	11.0
309.11292	2.5
310.08264	2.3
311.09131	2.3
322.08545	1.9
323.09216	4.1
325.10696	24.3
337.10651	6.0
343.11826	4.3
355.11670	6.3
373.27106	8.9
374.24982	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
55.01864	0.9
56.12664	0.5
65.03941	0.8
66.04730	0.7
67.05492	1.0
69.53577	2.0
70.06566	1.6
72.08158	11.4
79.05477	2.1
81.07049	1.2
84.08151	1.1
86.09705	0.9
91.05482	2.9
93.07037	0.7
94.04198	4.3
95.04951	2.7
95.08617	0.8
103.05482	1.1
105.07025	2.3
107.04958	1.1
109.02814	0.7
109.06519	1.3
111.04419	0.6
115.05480	2.0
117.07034	0.8
119.04948	1.1
121.06477	1.6
122.03638	9.6
130.04108	0.6
131.04948	2.1
133.06479	1.8
135.04369	0.8
137.05980	100.0
138.06349	2.9
143.04959	0.9
145.06509	3.1
146.01045	0.5
146.03639	0.7
147.04401	1.3
147.08015	0.7
149.06018	1.2
151.03926	1.4
151.07607	1.0
159.04437	0.7
160.05197	1.9
161.05954	3.2
163.07503	1.5
165.06915	0.5
171.04407	0.6
173.05997	2.1
175.03979	0.7
175.07561	2.4
177.05539	1.3
179.08566	1.4
181.06506	0.7
186.03085	0.7
187.03838	0.9
188.04733	1.0
189.05420	1.4
189.07047	0.7
194.07327	0.9
195.08069	1.0
199.03897	1.4
201.05354	3.4
203.07036	3.5
205.06512	4.3
206.07019	1.3
207.06499	8.0
207.08060	0.7
217.06531	1.6
219.06558	2.5
221.06000	1.9
222.06702	3.1
223.07515	0.8
231.06459	3.7
233.06021	3.3
234.06703	3.4
237.09114	3.0
245.05713	0.7
247.07573	0.7
249.05475	0.6
249.09102	1.1
250.06268	3.8
251.06905	2.9
261.05396	1.0
262.06259	2.0
263.07013	0.7
264.07956	1.2
265.08649	6.2
266.09351	1.5
267.06546	1.2
268.07251	1.0
273.05212	0.6
277.08600	3.7
278.05740	1.5
279.06497	2.3
279.09879	1.3
281.08163	0.6
282.08871	0.6
283.09607	4.2
290.05707	1.1
292.07339	2.2
293.08069	6.0
294.08655	1.4
295.09283	0.6
297.11295	1.7
305.08014	3.0
307.06326	0.9
307.09613	5.1
309.11145	2.9
310.08322	1.0
311.08868	1.2
313.08884	1.1
322.08368	1.2
323.09116	1.5
325.10742	13.3
326.11023	1.1
337.10657	6.4
343.11801	4.9
355.11810	2.4
356.28165	0.8
373.11191	1.3
373.27505	1.1
374.28967	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	373.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.4
56.05023	1.2
56.79052	1.1
57.03442	1.4
57.07063	2.6
58.06586	5.0
62.06073	1.7
67.05508	6.2
68.48503	1.3
69.07059	3.0
69.25379	3.2
69.25794	6.1
70.06583	4.1
71.08627	1.7
72.08152	19.2
72.85950	1.1
73.08478	3.3
78.83175	1.1
79.05479	4.9
81.07047	8.2
83.08589	3.0
84.08125	4.2
86.09664	2.4
91.05471	8.6
93.07041	6.2
95.04975	10.0
95.08607	6.1
96.05305	3.0
97.06541	2.1
98.23388	1.2
102.09163	3.9
105.06998	5.4
107.08607	1.9
109.06485	1.4
109.10144	2.4
109.50265	1.1
110.09673	1.9
117.06991	4.6
119.08540	4.4
121.10114	1.6
129.10297	1.3
131.08554	3.3
132.58098	1.2
133.10103	2.4
135.08113	1.5
142.07825	1.6
143.08513	3.5
145.10135	2.1
151.11134	1.3
151.33876	1.2
157.10094	2.8
159.11639	2.2
169.10133	1.3
179.08638	1.7
183.11610	1.5
185.13245	2.3
211.14688	1.4
218.69791	1.4
254.24704	1.9
328.26187	2.0
336.32489	1.5
337.32861	3.9
354.33524	3.4
355.33783	5.5
372.34521	5.7
373.23434	100.0
373.34790	9.0
374.23517	6.7
374.30469	8.8
374.36099	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	373.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
56.05034	3.7
56.92466	0.4
57.03439	0.5
58.06592	0.6
67.05512	2.2
69.07064	9.5
70.06593	10.1
72.08152	11.1
79.05502	0.8
81.07057	4.0
83.06102	16.5
83.08601	0.6
83.21417	0.4
84.04504	30.0
84.08143	14.7
86.09703	100.0
87.10045	1.3
91.05473	0.8
91.77156	0.4
93.07042	1.1
93.93298	0.3
95.08621	1.1
95.52563	0.4
96.04536	0.6
96.08129	0.6
97.73431	0.4
98.09715	0.4
98.22544	0.7
99.05594	1.0
100.07628	0.6
101.07160	3.6
101.10818	0.6
102.05544	4.2
104.05346	0.5
105.07055	0.5
107.08628	0.5
113.07114	0.5
115.05467	0.5
116.07113	1.3
123.11818	0.5
124.11218	0.5
129.06598	14.4
129.10236	9.5
130.06590	0.7
131.11804	3.4
132.08118	1.2
132.10201	26.5
137.05942	0.5
141.06616	0.9
141.10229	0.6
143.11760	0.5
152.10703	2.1
157.13388	1.7
159.09254	1.6
161.12936	0.4
164.07341	0.6
166.08623	0.8
168.13879	2.6
169.05132	0.4
169.09645	0.5
169.13350	3.0
170.06010	1.0
170.11809	1.5
171.11333	1.5
182.15454	0.5
183.11304	0.4
185.12903	1.4
185.16504	0.5
187.08755	0.7
187.10771	0.8
189.12379	1.7
196.14447	16.0
197.12851	18.3
197.16623	0.9
199.18130	1.4
203.13966	1.1
208.09653	0.5
210.15012	0.6
211.15314	1.1
214.15504	7.8
215.13919	12.7
215.15863	0.9
222.18620	0.5
224.13913	5.3
225.12318	4.5
225.15955	0.4
227.03407	0.6
227.17694	0.7
230.12914	0.9
240.19714	1.6
242.14967	11.3
242.18674	0.5
243.13394	3.7
245.18674	1.2
258.12402	0.9
258.20761	0.6
260.16199	1.5
260.98361	0.4
264.23242	3.4
282.24338	1.6
294.27982	2.2
302.15198	1.2
310.23886	1.9
310.27554	6.1
311.28143	0.4
312.29208	1.0
328.28650	1.7
338.21362	0.8
345.07745	1.1
355.23349	8.3
355.29819	3.9
356.23663	0.6
373.07074	3.8
373.18723	0.6
373.30759	19.1
374.07632	0.6
374.21960	1.2
374.30713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86026	0.3
55.05508	0.5
56.05030	1.3
57.03445	0.4
58.06592	1.0
58.66720	0.4
67.05511	1.1
69.07066	2.1
70.06605	2.1
71.32986	0.6
72.07268	0.4
72.07750	0.7
72.08157	12.5
73.08488	1.0
75.05609	3.6
77.62495	0.4
79.05503	0.8
81.07070	1.0
82.06601	0.5
83.06111	1.4
84.04046	0.6
84.04510	8.4
84.08150	5.6
86.09705	100.0
86.43929	0.4
87.10039	1.6
91.05470	0.8
93.07040	0.7
95.04998	0.9
95.08612	0.9
96.04484	0.4
96.08128	0.9
97.06519	0.4
98.09705	0.4
100.11240	0.6
101.07168	0.6
101.10763	0.5
102.05539	3.8
110.09715	0.5
112.08698	0.4
114.09180	1.3
120.08109	0.7
124.07533	0.6
126.09091	0.4
128.10739	0.6
129.06616	1.5
129.10251	4.0
129.11136	0.6
132.10204	17.7
135.11678	0.4
138.09125	0.5
140.10718	0.4
141.06531	1.0
141.21829	0.4
143.11800	21.4
144.10179	0.8
144.12091	0.6
152.10709	0.5
154.08525	0.5
157.13367	19.5
166.08646	0.6
170.11804	1.0
171.11295	9.0
181.92300	0.4
182.15517	0.4
185.12851	8.4
189.12332	6.7
196.14420	1.1
197.12843	5.4
203.13931	7.3
204.14342	0.7
210.14767	0.7
215.13902	7.8
225.12396	1.5
242.14983	4.7
242.18735	0.6
243.13367	3.9
243.15259	0.4
245.18611	1.3
264.23309	0.8
291.82339	0.4
294.27939	0.5
302.20758	1.1
310.27374	1.5
312.19238	1.3
317.15012	0.5
328.28268	0.4
355.23245	0.9
356.28024	1.3
373.13824	0.5
373.18039	0.8
373.27023	1.2
373.30594	2.9
374.25214	0.4
374.29031	5.8
393.73807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.04833	0.4
56.05040	3.6
58.06598	0.6
60.04518	1.9
61.90649	0.4
67.05549	0.7
67.26721	0.4
69.07073	5.7
69.28490	1.7
69.28900	1.1
70.02989	0.7
70.06595	7.6
72.08158	13.6
82.06565	0.8
83.06107	3.5
84.04504	2.9
84.08145	84.4
85.02915	1.2
85.06564	0.4
85.08486	1.4
86.09707	100.0
87.05593	6.2
87.10043	1.8
88.03990	6.5
89.03885	0.5
94.06554	0.5
96.08134	0.5
100.11239	0.5
101.10777	3.5
102.05544	20.9
102.09190	0.5
108.08221	0.4
110.07143	0.8
111.09227	0.7
112.08754	0.6
113.02370	0.5
113.10770	0.5
114.09147	0.7
115.08701	1.1
116.07048	0.8
117.03355	0.9
120.08115	1.1
128.10739	0.5
129.10240	56.1
130.05013	4.7
130.10568	1.3
132.10226	1.4
143.08188	0.6
143.11821	1.1
144.06583	3.0
145.02864	1.9
145.04816	0.4
146.11752	0.4
147.07646	43.9
148.06044	0.9
148.07939	0.6
152.14362	1.6
157.09741	0.6
157.13385	1.1
161.09222	2.6
162.07672	0.9
171.11342	1.3
173.12918	0.9
177.05453	5.7
180.11327	0.8
183.11278	2.5
183.14857	0.5
185.12903	1.0
185.16521	1.5
193.06467	0.5
194.08093	1.0
195.06580	2.3
197.16490	4.5
199.18057	18.5
200.18474	0.5
203.05132	0.5
203.13951	1.3
208.10887	0.9
211.14429	0.6
213.16084	0.7
215.14024	1.0
224.17609	2.0
225.15990	2.0
227.17561	6.9
227.19647	0.6
228.17245	0.4
231.17157	1.0
242.18634	6.1
243.13445	1.4
245.18588	2.3
260.16071	5.5
260.19556	2.0
274.17807	0.5
355.27155	0.7
373.14487	1.2
373.18369	8.0
373.28232	16.9
374.28720	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	373.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03948	6.7
54.23296	1.4
55.01862	2.5
55.05511	14.4
57.03427	1.4
57.07063	2.2
65.03938	4.2
67.05507	22.9
69.03452	2.1
69.07068	12.6
69.37775	4.5
69.38193	5.2
70.07424	1.4
71.04992	2.9
72.08160	14.7
73.08482	3.0
74.02805	1.3
77.03924	2.0
79.05499	30.5
81.03431	2.8
81.06585	2.5
81.07062	46.3
83.04975	5.7
83.08616	3.3
85.06560	1.7
91.05486	50.8
93.07047	42.1
95.04973	38.6
95.08055	2.1
95.08614	25.9
97.06543	13.4
103.05472	5.3
105.04511	3.1
105.07037	72.8
106.07378	1.7
107.08601	23.0
109.06524	25.8
109.10191	10.7
111.08102	2.6
114.89315	1.6
115.05473	7.0
116.06245	2.0
117.07021	20.8
119.04877	1.7
119.08580	72.4
121.06514	14.2
121.10143	19.6
122.10392	1.7
123.08065	4.5
123.11727	2.8
128.06221	16.7
129.07016	22.5
130.07787	6.4
131.08582	25.6
133.06528	2.8
133.10136	43.1
135.08063	6.2
135.11700	5.0
141.07014	12.3
142.07790	27.3
143.08571	43.3
144.09392	7.1
145.06496	3.1
145.10130	34.4
147.08072	4.0
147.11667	10.7
149.09621	7.3
153.06993	4.3
154.07764	5.5
155.08562	17.5
156.09364	16.1
157.10143	45.8
158.10899	9.4
159.08061	4.8
159.11702	16.9
161.09593	5.8
161.13284	1.8
165.06979	13.6
166.07780	4.7
167.08582	14.3
168.09308	7.1
169.10126	28.3
170.10858	7.0
171.11699	21.8
172.12241	1.7
173.09612	4.1
173.13254	18.3
175.11229	2.6
178.07838	3.5
179.08548	19.9
180.09392	7.6
181.10107	18.6
182.10912	14.0
183.11697	17.9
184.12440	4.7
185.09641	2.2
185.13237	6.2
187.14764	2.5
191.08604	5.0
192.09346	13.9
193.10124	25.2
194.10907	12.1
195.11713	18.8
196.12488	8.3
197.13231	20.2
199.11252	2.6
199.14737	7.9
203.08553	2.4
204.09421	2.4
205.10107	11.2
206.10944	16.1
207.11673	30.5
208.12410	14.1
209.09729	2.2
209.13257	22.2
210.13985	4.7
211.14798	12.7
215.08546	2.1
216.09311	3.6
217.10197	7.3
218.10948	6.8
219.11656	13.7
220.12473	14.5
221.13214	24.3
222.14038	7.5
223.14818	13.4
224.15562	2.5
225.16440	4.5
229.10217	3.5
230.10890	5.8
231.11610	9.1
232.12422	9.3
233.13251	16.9
234.13988	9.1
235.14810	20.4
236.15529	3.6
237.16309	9.1
239.14317	2.0
239.17998	3.0
242.10986	1.8
243.11734	6.3
244.12730	3.8
245.13220	10.7
246.13994	7.2
247.14836	12.6
248.15646	8.8
249.16425	22.4
250.17119	4.0
251.14224	2.1
251.17953	7.6
252.18430	2.0
253.15857	3.7
253.19510	3.6
257.13354	4.4
258.14053	4.9
259.14838	7.0
260.15607	8.3
261.16251	11.4
262.17111	3.7
263.17960	13.8
264.18707	9.0
265.19540	10.3
268.18234	3.7
269.13272	2.9
270.13998	2.8
271.14804	3.4
272.15610	1.7
273.12790	1.7
273.16379	6.6
274.17175	5.1
275.17926	11.7
276.18631	3.2
277.19443	10.0
278.19907	1.6
279.17319	2.8
281.18884	1.9
282.14093	2.1
283.14691	3.4
284.15585	3.6
285.16315	4.3
286.17172	2.2
287.17957	3.3
289.19501	5.8
290.20331	1.6
291.21024	2.1
293.19025	3.5
297.16431	2.9
299.17911	6.6
301.19577	2.3
303.20996	2.3
315.20871	2.6
317.19092	5.9
325.19669	3.1
329.22598	5.4
340.21576	2.2
345.25739	5.6
355.24115	9.5
373.25256	100.0
373.35062	10.7
374.25604	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	373.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05503	6.5
56.05013	1.8
56.53484	1.3
57.07069	6.8
60.27718	1.4
67.05516	8.7
69.07061	7.2
69.25637	7.1
69.26063	4.9
70.06595	10.1
71.06929	2.4
71.08628	1.6
72.08150	2.7
74.06068	2.1
78.47704	1.6
79.05490	9.6
81.07063	18.5
83.04982	3.8
83.08617	4.1
86.06073	1.7
86.09724	3.1
87.04443	2.6
88.07636	32.6
89.07968	4.5
91.05479	14.6
93.07047	17.3
95.04968	15.3
95.08624	13.7
97.06545	2.7
97.10195	2.2
102.09165	2.8
103.05443	1.8
105.07022	26.3
106.08665	6.0
107.08576	13.1
109.06532	4.8
109.09488	1.8
109.10134	8.2
114.27010	1.5
114.61864	1.5
115.05441	2.4
116.53394	1.5
117.07019	7.1
118.08600	1.6
119.08589	27.1
121.06499	4.3
121.10126	6.2
123.08065	2.0
123.11731	2.1
128.06210	3.2
129.06993	4.4
131.08545	8.5
133.10126	16.4
135.08113	2.4
135.11679	4.3
141.06924	1.8
142.07845	7.7
143.08572	14.5
145.10117	14.6
147.11641	4.3
149.13271	1.6
151.03761	1.5
153.07002	2.2
154.07883	2.1
154.35051	1.3
155.08524	8.3
156.09328	7.5
157.10130	16.9
159.08115	3.0
159.11703	8.6
161.09615	2.0
161.13316	1.9
165.06921	1.7
167.08580	4.4
168.09233	2.6
169.10146	11.6
170.10867	5.3
171.11676	11.8
173.09663	2.8
173.13260	4.0
178.07794	2.1
179.08545	4.3
180.09335	2.3
181.10124	8.2
182.10887	3.4
183.11694	8.8
184.12413	2.2
185.13239	10.2
187.14874	4.7
192.09361	5.3
193.10135	9.8
194.10876	5.7
195.11626	10.8
196.12451	4.1
197.13304	8.7
199.11156	1.8
199.14841	3.7
203.08669	2.5
205.10080	3.8
206.10901	9.0
207.11679	15.3
208.12474	4.9
209.13268	11.4
211.11246	1.9
211.14838	4.8
213.16499	2.3
217.10217	3.3
218.10953	3.0
219.11743	11.1
220.12422	6.2
221.13229	13.4
222.13976	5.1
223.14871	7.7
225.16432	3.8
229.10120	3.6
230.10931	1.6
231.11722	7.4
232.12440	4.6
233.13257	10.4
234.13960	7.4
235.14796	11.4
236.15494	2.1
237.16374	3.3
239.17882	2.4
243.11694	3.3
244.12488	2.1
245.13263	10.2
246.13991	3.8
247.14925	7.9
248.15569	5.4
249.16380	16.0
250.16838	1.9
251.17978	11.3
253.19669	2.2
255.11705	2.3
257.13257	3.7
258.14035	3.6
259.14832	6.6
260.15616	5.1
261.16345	8.3
263.17932	10.0
264.18683	9.3
265.19595	6.0
269.13266	3.8
271.14853	2.8
272.15390	1.9
273.16388	5.1
274.16977	2.3
275.17947	11.9
277.19565	11.8
283.14517	2.0
284.15778	2.4
285.16382	4.4
286.17279	2.6
287.17847	4.9
289.19547	8.4
290.16464	1.5
290.20175	3.2
291.17590	1.7
291.20963	1.6
291.42636	1.7
297.16165	2.2
299.17969	5.5
301.19531	3.2
303.17462	3.7
303.20828	1.8
312.29663	4.6
312.32663	8.2
315.21130	2.8
317.19028	4.0
317.22427	2.0
325.19452	3.5
326.34137	4.6
329.22614	3.8
340.21524	1.9
345.25760	7.1
355.24112	9.1
373.25253	100.0
373.35013	10.8
374.25867	10.8
374.36261	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61726	0.4
55.05513	3.4
56.05034	1.5
56.96567	2.4
57.05811	0.4
57.07100	0.5
60.04524	0.5
60.05367	0.8
60.05653	10.1
68.05028	0.8
69.07082	1.1
69.38766	0.4
69.88056	1.4
70.06595	100.0
71.04997	5.3
71.06941	2.1
72.08157	39.9
74.06081	0.7
83.06126	0.7
84.04514	2.1
84.08147	22.9
85.02912	0.5
85.07645	0.6
86.09708	15.7
88.04003	0.4
88.07652	3.0
95.06087	1.0
96.08136	0.4
97.07668	0.6
98.06062	2.7
100.07613	0.5
101.00887	1.1
101.07117	0.9
101.10779	0.5
102.05542	0.6
110.07180	1.8
112.08733	20.3
113.07155	0.9
114.76616	0.4
115.08691	3.7
116.07086	2.4
119.01924	1.1
120.08120	0.6
124.11241	1.8
126.09180	0.4
127.08677	1.0
129.06613	0.9
129.10245	11.5
129.11215	0.7
130.05045	0.9
130.08652	6.7
130.09616	0.8
131.01953	0.8
136.06187	1.3
136.67970	0.4
138.06691	0.5
140.08195	4.3
142.09766	1.0
143.11821	1.7
144.10219	0.6
145.03513	0.6
147.07654	0.9
147.11292	7.3
147.12411	0.6
152.10728	0.9
156.07761	0.8
157.10860	5.8
158.09267	1.6
159.05016	0.5
166.13489	0.5
168.14992	1.6
169.13373	7.7
171.11276	1.3
171.14949	0.8
172.10780	0.7
173.01332	0.5
173.02986	0.8
173.09009	0.5
175.02832	0.6
175.11908	5.9
177.05687	0.7
183.11269	0.5
194.12903	1.0
196.14464	2.2
197.12901	1.6
199.14455	0.6
199.18098	1.9
200.14008	0.5
203.04019	1.0
203.10280	8.0
203.14970	0.7
211.12344	0.6
211.15565	14.4
214.15520	0.6
215.13861	1.0
217.15523	0.9
218.14511	0.6
219.01813	0.5
221.05103	2.3
222.12276	0.7
222.26245	0.5
227.04005	0.6
227.17642	0.9
228.18199	2.6
239.15068	1.4
240.13397	0.5
256.17676	2.9
257.16068	4.8
260.17352	0.5
260.19812	0.9
274.18753	10.5
303.20139	0.5
311.06317	1.0
314.20792	0.6
329.07108	3.4
355.05063	0.4
355.20715	0.6
356.23032	6.2
357.23480	0.5
373.22015	3.4
373.25574	78.8
374.14407	0.5
374.24176	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.05029	1.7
58.06601	1.6
60.04526	0.5
60.05645	3.7
62.20904	0.4
69.03448	0.6
69.07065	2.0
70.06592	40.6
70.74941	0.9
71.04993	1.3
71.06924	0.9
72.08156	22.5
73.08481	0.5
74.06078	3.8
75.05623	0.5
83.06094	0.8
84.04510	6.6
84.07629	1.1
84.08139	20.8
85.02894	1.2
85.06522	0.7
86.09705	100.0
87.05585	1.1
87.10042	2.0
88.03965	0.6
95.06091	1.2
96.04497	0.5
97.07652	0.8
98.06046	1.3
101.07127	1.9
101.10752	0.5
102.05542	1.0
110.07150	2.1
112.08725	6.7
113.06026	0.8
113.07087	0.9
114.06662	0.5
114.09233	0.6
115.05025	0.6
115.08685	3.3
116.07089	7.9
120.08074	1.1
125.91456	0.5
127.08656	0.9
129.06546	1.0
129.10240	13.0
130.05005	7.6
130.07661	0.9
130.08646	17.7
132.10190	0.6
140.08147	1.0
141.06601	0.7
141.10167	1.2
142.09676	0.5
142.51601	0.4
143.11801	1.2
144.06511	0.6
144.10190	2.9
144.51942	0.4
145.02849	1.1
147.07643	10.9
147.11273	10.2
155.08153	1.7
156.11316	4.3
157.09723	1.8
157.10847	1.0
157.13361	17.6
158.09250	1.3
159.11293	0.6
161.12849	1.8
171.11324	0.7
171.14911	1.2
172.10806	22.8
173.09303	2.1
173.12877	1.2
175.11920	2.3
177.05484	2.4
181.34258	0.4
183.14883	0.5
185.12871	4.0
185.16615	0.6
186.08743	1.0
187.10767	0.8
189.13475	1.6
195.06480	1.4
199.10730	1.0
199.18076	6.6
200.13992	0.8
201.12337	1.3
211.15625	0.5
215.13937	1.3
217.11842	2.4
227.17517	3.0
240.05495	0.5
242.18694	0.8
253.11661	0.5
257.16049	0.8
258.14456	1.3
260.16022	1.9
260.19583	2.1
274.18741	0.6
285.16077	0.5
285.19260	2.9
302.21771	0.9
318.74402	0.6
328.24570	0.6
329.19290	0.6
331.23181	0.4
338.18130	0.6
338.21735	2.0
344.25735	0.5
355.19604	0.7
356.11533	0.5
356.19147	0.8
356.23029	3.3
371.89178	0.5
373.15463	3.1
373.25507	78.1
374.24820	7.9
390.58435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2807
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
55.05501	0.7
56.05031	3.5
67.05495	0.5
69.07055	0.5
69.94974	1.2
70.06582	0.8
72.08154	3.8
82.06569	0.5
83.82599	0.2
84.04495	0.6
84.08140	100.0
85.06538	0.7
85.08458	1.5
86.09702	16.1
87.10045	0.4
96.08126	0.8
101.10779	4.3
102.09159	0.6
106.96835	0.3
110.27085	0.3
111.09205	0.8
112.07604	0.5
126.12835	0.5
129.10233	61.6
130.10612	1.4
132.10188	1.1
133.25092	0.3
143.11807	0.4
144.06519	0.6
147.11311	0.3
152.14333	2.1
157.13351	0.6
161.09143	0.5
161.23953	0.3
161.71838	0.3
167.15393	0.3
171.11285	0.6
177.05406	0.4
179.15379	0.6
181.16962	0.5
197.16475	5.7
199.18056	0.9
203.13791	0.5
214.19206	0.5
224.17599	2.1
225.15987	2.0
227.17627	0.5
233.43199	0.3
241.21829	0.3
242.18611	7.7
245.18571	2.3
260.19659	2.6
337.26093	0.6
338.24445	0.4
355.26978	0.5
356.25330	0.9
373.28082	20.5
374.28558	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	373.2811
Annotation	Lys Ile Leu
Peak:m/z	Relative Intensity
52.14165	0.3
55.05511	0.9
55.82568	0.3
56.05037	3.9
57.93617	0.3
67.05511	0.6
69.07068	2.9
69.53607	1.8
70.06593	5.3
72.08157	9.4
82.06597	0.9
83.06110	1.3
84.04505	7.5
84.08144	100.0
85.02924	0.5
85.06568	0.7
85.08469	2.0
86.09706	34.6
86.75876	0.3
87.10040	1.0
88.03992	0.6
96.08127	0.6
98.85698	0.3
100.11259	0.9
101.07151	0.6
101.10785	4.2
101.17906	0.3
102.09184	0.6
110.07124	0.4
111.09207	0.8
112.07635	0.7
114.09212	0.3
116.07083	2.1
117.03386	0.4
120.08102	0.3
123.09296	0.3
126.12807	0.6
127.08686	0.6
129.10239	78.4
130.08661	0.4
130.10637	1.8
132.10193	0.7
141.10178	0.4
143.11809	0.7
144.06557	9.3
144.10265	0.5
145.02850	0.6
147.11285	0.9
148.06079	0.4
149.06012	0.4
152.14352	3.0
156.10249	0.4
157.13379	0.8
161.07869	0.5
161.09218	10.1
171.11330	0.9
177.05490	2.7
185.12909	1.2
185.16530	2.1
186.16757	0.3
189.12250	0.6
195.06578	1.0
196.14458	0.9
197.16495	8.2
198.16838	0.4
199.18105	0.7
201.12323	0.5
203.14000	0.7
213.15874	0.4
214.19168	1.1
224.17584	2.4
225.15987	1.4
227.17590	0.4
229.15488	1.3
242.18633	7.1
243.16901	0.6
243.19061	0.7
245.18613	2.7
260.15942	0.7
260.19699	2.8
328.28766	0.3
355.27011	0.4
356.25342	0.7
373.28079	14.1
374.29034	0.6
398.80441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
56.05037	7.0
57.03429	2.0
58.06596	3.5
67.05505	7.2
69.07073	5.1
70.06592	13.1
71.05005	0.6
71.06480	0.8
72.08157	41.0
73.08479	0.9
73.52937	0.5
79.05496	4.0
81.07059	15.4
81.07769	0.6
82.06564	0.6
82.13035	0.4
83.04987	0.6
83.06106	9.9
83.08635	0.8
84.04506	11.8
84.08141	14.9
84.93783	0.5
85.06557	0.9
85.08941	1.4
86.09707	48.0
91.05467	2.4
93.07044	3.2
95.08614	5.5
97.06523	0.8
98.09711	1.6
99.05575	1.0
100.55459	0.5
101.07153	2.0
101.10753	0.6
104.07109	1.6
105.07020	1.0
107.08594	1.9
109.10149	2.2
110.09706	0.6
114.09134	0.6
116.07062	0.9
118.77067	0.5
119.52878	0.5
120.08108	1.4
121.10151	1.5
123.11720	1.4
124.11176	0.8
129.06602	7.8
129.10233	11.0
130.10524	0.8
132.04128	0.5
132.08102	0.9
132.10194	9.2
133.10158	1.5
135.11700	1.6
137.06038	0.7
141.10237	1.3
143.11801	1.5
145.02802	0.6
147.07767	0.7
152.10704	1.4
157.09732	1.3
157.13367	1.1
159.09193	0.8
168.13837	12.0
168.15164	0.9
169.09799	0.9
169.13376	1.4
170.06042	1.3
171.11250	3.1
177.05559	0.5
185.12907	2.3
186.14937	0.8
187.08694	0.7
187.13194	0.7
188.07040	0.6
189.12379	2.1
196.14452	9.8
196.17062	0.8
197.12869	6.9
197.14650	1.0
197.16428	0.6
199.18097	1.4
203.13911	3.0
208.20581	0.9
214.15517	5.1
222.18602	1.3
224.13922	3.0
224.20039	0.5
225.12367	0.9
225.16032	1.2
238.86362	0.5
240.19597	4.2
242.15059	1.6
242.18810	0.8
258.20657	1.7
260.16013	0.8
264.23227	18.4
265.23709	1.1
266.24948	0.8
270.18106	1.0
282.24277	8.0
294.27893	11.4
300.38547	0.6
302.15039	1.9
310.23785	8.4
310.27429	32.4
311.24463	0.7
311.27692	2.4
312.28928	4.8
328.24884	0.5
328.28467	7.6
338.26831	1.1
345.08063	0.7
355.23340	4.9
355.29562	17.0
356.16183	0.6
356.29053	0.8
373.07098	2.0
373.18332	3.3
373.30640	100.0
374.21393	2.4
374.25797	1.0
374.30927	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37834	3.8
56.45259	4.0
69.18519	16.5
69.18943	20.7
70.06577	10.6
72.08142	14.3
79.39085	4.4
84.04510	5.0
84.08145	23.1
86.09687	25.9
89.03909	10.1
89.69257	4.7
95.08597	6.9
98.22565	4.9
117.03374	20.4
128.05426	4.8
129.10246	15.1
145.02849	48.2
149.05969	11.1
162.03004	4.2
177.05455	100.0
195.06500	40.9
263.42783	4.9
372.34229	4.4
374.25134	8.1
374.29126	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.4
60.04517	1.4
61.02927	1.6
69.03432	2.2
69.07069	6.4
70.06581	4.2
70.68394	3.1
72.08143	4.4
84.04496	2.8
84.08148	3.2
85.02902	7.8
86.09702	100.0
87.09986	1.6
89.03919	3.6
96.77548	1.3
97.02862	3.4
109.02824	1.3
117.03397	7.0
125.06003	1.8
129.10240	3.1
130.05020	2.9
130.08632	1.4
137.05927	1.8
139.76274	1.4
145.02846	16.7
145.05006	3.1
148.06058	4.9
149.05978	7.2
153.05481	3.4
153.81938	1.2
177.05467	51.9
178.05841	2.7
195.06540	25.7
199.18056	28.2
227.17583	10.9
261.14407	9.3
374.25381	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03444	1.7
58.06599	4.4
61.02928	2.6
65.90304	1.1
67.05537	1.1
69.03439	4.9
70.06591	3.7
70.87349	1.5
70.87682	1.7
71.06582	1.0
72.08153	7.3
81.03422	2.7
84.08163	4.9
85.02912	16.2
86.09740	1.2
89.03922	5.2
91.03981	1.7
95.08611	1.4
97.02905	4.7
109.02850	1.5
111.11569	1.2
115.20467	1.2
117.03379	14.7
124.01848	1.2
127.03935	3.0
129.10278	1.3
133.66696	1.4
145.02863	41.2
145.04988	3.6
149.05980	6.8
157.10905	1.5
163.03900	4.0
177.05472	100.0
178.05824	4.4
180.08722	1.9
195.06540	45.2
196.06979	1.5
356.28021	1.7
374.15012	1.4
374.20715	2.1
374.25421	5.8
374.29315	3.4
394.38828	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	374.2286
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
56.05027	1.6
58.06598	3.5
59.91564	0.8
61.49388	0.8
67.05493	1.7
69.05905	8.4
69.07071	10.6
70.06587	3.9
72.08159	15.8
79.05499	1.2
81.07053	2.0
83.04539	0.9
84.04509	32.5
84.08141	2.8
86.09706	100.0
87.10021	2.1
95.08624	2.2
102.05546	14.1
124.11220	1.2
129.06599	12.7
129.10262	1.7
130.05060	1.3
132.10210	32.0
152.10757	1.0
169.13370	1.3
170.11723	6.3
197.12871	20.6
198.13155	1.1
215.13922	40.4
216.14311	1.4
225.12344	6.6
243.13399	6.0
245.18510	1.7
264.46454	0.9
356.27997	7.0
374.25180	3.3
374.29144	19.9
375.23444	1.0
375.29016	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	374.2283
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
55.05487	0.6
56.05029	2.5
58.06601	0.9
67.05508	0.7
69.07068	8.9
69.38938	2.3
70.06593	2.8
72.08144	2.6
80.05946	0.5
81.07066	1.1
83.06101	1.6
83.08625	0.5
84.04503	27.9
84.08139	3.1
85.02911	0.8
85.08459	0.8
86.09705	100.0
87.10015	4.5
90.38145	0.6
98.22736	0.8
102.05537	11.0
104.05343	1.3
110.07163	0.7
118.16969	0.5
120.08125	0.8
124.11255	0.6
129.06599	10.5
129.10245	2.1
132.10202	32.2
133.10550	0.9
137.05968	0.6
141.06644	1.2
141.68417	0.5
152.10695	1.6
157.67880	0.5
159.09088	0.6
163.03909	0.8
169.13394	0.6
170.11771	4.5
197.12859	19.5
197.14650	1.0
198.13225	1.8
199.17937	1.1
215.13899	34.7
216.14217	1.0
222.18645	0.9
225.12347	5.7
240.19580	2.8
241.19646	0.6
242.14961	0.9
243.13351	6.6
243.15411	0.7
244.13765	0.9
245.18634	1.5
258.20590	0.8
259.74496	0.6
265.23602	0.6
307.77869	0.5
374.21689	2.4
374.25592	1.0
374.31436	2.5
375.08527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82860	0.5
55.01837	0.5
55.05508	0.9
56.05038	0.5
56.46953	0.4
56.96571	0.5
57.03429	1.0
57.05832	0.5
58.06604	2.3
58.56947	0.4
60.04542	0.8
67.05496	1.8
69.07067	9.0
70.06582	2.7
71.05011	0.5
71.29726	0.7
72.04526	0.5
72.08157	52.7
73.08488	1.3
75.05611	0.6
79.05489	2.1
81.07061	2.3
81.50262	0.5
83.04967	0.6
83.08602	0.6
84.04509	1.4
84.08153	2.7
85.06541	0.5
86.06075	0.5
86.09705	100.0
87.10046	1.9
91.05486	1.7
93.07038	1.7
95.04972	7.3
95.07329	0.5
95.08607	1.7
96.08134	1.0
97.06564	0.8
98.09702	0.9
102.05514	0.5
102.09162	1.1
105.07032	1.2
106.93222	0.5
107.08582	0.8
108.08156	0.6
109.10164	1.0
110.09739	0.5
114.09175	2.0
115.72948	0.5
116.10710	0.6
118.06529	0.6
119.08566	0.6
120.08101	1.1
121.10172	0.9
124.11252	1.6
126.09144	2.8
128.10722	10.4
129.10240	1.1
132.08084	0.5
132.10229	1.2
133.10149	0.6
135.11658	0.5
140.10718	0.6
143.11792	3.6
144.08136	1.0
144.10193	16.6
145.10530	0.7
146.06027	3.7
147.11673	0.8
156.10220	1.9
158.40192	0.4
159.09183	1.1
163.03902	1.8
180.51239	0.5
188.07074	6.9
197.12859	0.6
201.12303	3.3
205.09753	3.2
215.13979	0.9
219.13423	8.5
233.05983	1.0
243.13420	0.6
269.18652	0.8
271.64667	0.5
315.50507	0.5
320.25360	0.5
338.26968	1.2
342.26376	2.5
356.27902	9.3
357.28293	0.6
374.29010	41.3
375.29303	3.5
392.15060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05518	1.3
56.05035	2.7
57.03421	1.0
58.06594	2.1
61.44812	0.6
62.85258	0.6
64.96656	0.6
67.05496	2.7
69.07069	3.8
70.06594	3.6
72.08159	59.1
78.61842	0.7
79.05476	1.8
81.03435	0.9
81.07059	5.2
82.06602	0.8
84.04507	28.2
84.08139	3.1
85.02901	1.2
85.04844	1.1
86.09708	100.0
87.04652	0.8
87.10044	2.0
91.05489	2.6
93.07054	2.6
95.04972	1.2
95.08605	3.7
96.04517	1.0
97.06547	1.5
98.09692	1.4
101.12867	0.7
102.05547	13.8
102.09158	1.2
105.07008	1.3
108.08115	1.0
109.10143	1.4
113.07160	1.2
114.09184	0.7
119.08595	1.3
121.10178	1.0
124.11259	1.5
126.09161	1.7
128.10739	1.2
129.06604	4.8
129.10228	0.8
132.10204	29.5
137.05966	1.7
141.06610	3.3
144.10201	5.1
152.10698	1.5
155.08063	1.0
170.11723	3.5
197.12874	17.4
198.13225	1.0
215.13914	28.1
216.14360	1.5
225.12282	6.0
243.13416	8.6
245.18669	3.0
275.20477	0.9
293.21143	1.4
296.25815	1.0
312.28882	0.9
328.28400	3.8
338.26828	1.1
356.27878	6.0
374.25427	2.6
374.29062	54.5
375.29346	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	374.2285
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
50.58267	0.3
56.05033	0.4
58.06603	0.4
58.61290	0.3
61.02907	0.5
69.03422	0.6
69.07066	5.8
69.81646	0.8
69.82056	0.6
70.06595	1.5
72.08143	2.3
76.29047	0.3
79.89653	0.2
84.04501	3.5
84.08144	1.4
85.02888	2.5
85.04828	0.3
86.09702	100.0
87.09569	0.3
87.10030	2.2
88.09825	0.3
91.05465	0.3
93.03397	0.5
96.63589	0.2
97.02888	0.5
102.05544	1.1
106.78952	0.3
110.07188	0.3
111.04456	0.7
116.07103	0.3
120.08119	0.3
125.05993	0.8
127.03908	0.3
129.10266	1.3
130.05005	2.3
143.11826	0.4
144.06587	0.8
145.04956	0.7
148.06044	6.3
149.05971	2.1
151.50586	0.3
153.05455	2.6
161.09219	0.7
171.18600	0.3
177.05458	1.0
182.89488	0.3
195.06531	3.2
199.18048	26.4
200.18407	1.0
205.11877	0.3
206.81708	0.3
219.13477	0.3
223.43567	0.3
227.17538	10.0
228.17911	0.4
261.14435	8.8
261.17062	0.5
262.14804	0.6
304.66003	0.3
374.25427	0.6
375.23608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2288
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
55.05519	0.4
56.05032	0.8
58.06605	0.5
60.04519	0.5
64.03848	0.2
67.05516	0.2
69.03431	0.3
69.07066	0.9
69.47612	1.2
70.02924	0.2
70.06596	3.5
70.30219	0.2
71.06913	0.2
72.08156	6.5
73.08496	0.3
74.06095	0.3
81.07071	0.3
82.06596	0.2
84.04509	3.8
84.05004	0.1
84.08145	5.1
85.02905	0.4
85.08467	1.0
86.09708	100.0
87.05598	0.3
87.10043	2.5
91.34851	0.2
97.06504	0.2
101.10754	0.2
102.05540	1.7
110.07143	0.5
114.09190	0.3
115.08717	0.4
115.28889	0.2
116.07076	0.6
120.08102	1.3
122.09563	0.2
126.95438	0.2
128.10703	0.5
128.86450	0.2
129.10234	3.8
130.05017	1.7
130.08615	0.3
130.10585	0.8
132.10211	0.4
136.07591	0.3
138.77299	0.2
141.49194	0.2
143.11800	0.6
144.06532	0.4
144.10188	0.3
145.02838	0.8
145.06799	0.2
147.11263	0.2
148.06042	7.2
149.06174	0.2
157.09787	0.2
159.11267	0.2
161.09201	0.3
166.95630	0.2
170.34933	0.2
171.11275	0.3
172.11626	0.2
172.91226	0.2
173.09181	0.2
173.12839	1.6
175.10770	0.7
176.14253	0.2
177.05455	1.5
189.12332	0.3
195.06511	0.5
198.16779	0.3
199.18056	27.9
200.18405	1.3
201.12379	0.5
203.13904	0.3
219.13451	0.4
227.17545	10.8
228.17776	0.6
229.64182	0.2
243.18874	0.3
260.19391	0.2
261.14459	6.8
262.14899	0.4
270.14444	0.3
338.26727	0.2
352.69238	0.2
356.27835	0.3
374.17175	0.3
374.24789	0.9
374.29169	1.9
375.16187	0.3
375.23572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61470	0.4
53.87199	0.4
55.05497	1.6
56.05025	0.6
57.03428	1.5
58.06590	1.9
67.05492	3.9
69.07070	2.5
70.02956	1.1
70.06585	2.4
70.64607	0.8
70.64960	1.0
71.04987	0.9
72.07752	1.0
72.08154	18.9
73.02921	3.4
79.05503	2.3
81.07054	11.4
83.08614	0.7
84.08144	4.5
85.04053	0.9
85.06533	1.8
86.09705	100.0
87.10044	1.8
88.03990	7.6
91.05512	1.1
93.07057	1.6
95.04982	0.7
95.08622	2.2
96.04488	0.5
96.08125	2.7
97.10164	0.5
98.02410	3.4
98.09707	0.8
100.03960	3.5
102.09211	1.2
105.07062	0.8
107.08562	0.9
109.10133	0.8
110.02384	0.8
110.07148	0.6
110.09693	0.7
113.10762	2.6
120.18336	0.5
121.10133	0.9
123.11686	1.3
126.00216	0.5
127.88747	0.5
129.10252	1.5
133.10130	1.2
135.11676	0.6
138.09149	3.4
141.10229	8.4
142.08662	1.1
146.11757	39.1
147.12132	1.3
148.35710	0.5
155.11771	1.0
156.10188	9.1
166.08609	1.1
176.12831	0.7
183.11278	5.4
184.09698	2.1
187.10732	0.7
187.13214	2.3
201.12341	66.3
202.12677	2.4
212.09293	0.6
229.11830	11.0
230.12183	0.5
259.20142	1.5
265.21567	1.0
287.59912	0.6
294.27820	2.2
296.19659	0.5
310.27390	8.3
311.27780	1.0
312.28931	0.6
328.28619	0.6
338.26917	1.2
356.27942	10.2
374.28976	40.6
375.29446	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	374.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	2.6
53.05834	2.3
54.96571	2.4
55.05517	8.9
56.05035	8.3
57.03437	8.2
57.07069	5.0
58.06599	75.2
58.06888	5.4
60.04528	8.5
67.05492	12.3
69.07086	8.0
70.06590	6.1
71.04997	3.1
71.30489	3.8
72.08153	23.1
79.05481	13.2
81.07047	23.6
82.06594	10.5
83.08627	4.5
84.08169	8.2
85.06559	2.9
86.06072	100.0
91.05485	84.6
93.07041	14.1
95.04983	9.9
95.07348	3.7
95.08624	19.8
96.08963	3.8
97.06535	15.8
99.08119	3.3
102.09223	4.0
105.07036	20.3
105.59253	2.5
107.08630	6.5
108.08149	7.9
109.10187	5.2
110.09683	66.1
112.45741	2.7
114.05547	7.9
117.07019	60.6
119.08609	8.5
121.06530	4.4
121.10194	4.1
128.06242	5.5
129.07027	20.0
131.08549	21.0
133.10124	6.8
138.09154	4.6
143.08571	26.4
145.10188	6.0
154.12294	3.5
157.10158	9.5
159.11682	2.6
183.11792	2.8
185.13266	22.6
203.14348	18.3
215.15576	3.2
297.22147	20.6
315.23685	3.0
328.26297	53.0
338.25024	3.3
346.27432	25.2
347.27872	2.9
356.25800	17.9
356.34830	5.2
374.26675	37.3
374.30551	42.1
374.36014	18.5
375.27020	8.8
375.31082	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	374.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05499	4.2
56.05035	10.6
57.03427	1.6
57.07075	7.5
58.02972	0.6
58.06598	21.0
60.04529	1.3
65.03933	2.2
67.05505	5.4
67.80500	0.5
68.05027	1.1
69.07062	4.9
70.06593	4.6
71.08630	3.0
72.08143	1.7
74.06078	6.7
76.03996	1.6
79.05492	26.6
80.05814	0.8
81.07053	100.0
82.06579	0.6
82.07382	2.0
83.04985	0.5
83.08611	3.4
84.08140	3.0
85.06535	0.9
85.10178	1.1
86.06065	9.7
86.09689	4.7
88.07628	28.4
91.05476	82.3
92.05816	1.8
93.07064	4.3
95.04954	1.1
95.07359	0.7
95.08592	6.5
97.06525	2.0
97.10170	1.7
98.22602	1.0
99.08102	4.2
102.05550	6.6
102.09184	2.1
103.05475	1.8
105.07027	11.5
105.07674	1.0
107.04961	4.7
107.08636	3.1
109.10163	1.6
110.09668	6.0
112.07629	0.8
115.05454	2.7
117.07012	77.3
118.07352	3.3
118.08634	4.0
119.08576	3.0
121.06501	6.3
121.10176	2.8
122.08128	2.2
124.70967	0.6
125.09632	1.3
128.06219	3.0
129.07001	24.9
130.07318	1.1
131.08566	13.1
133.10143	0.8
135.11717	1.5
141.06961	1.6
143.08549	29.5
144.08919	1.2
145.10095	1.1
147.11711	1.0
149.13220	0.6
154.12274	1.5
155.08554	1.3
157.10132	5.6
159.11679	0.9
165.12759	1.7
169.10089	1.2
171.11661	1.9
183.11684	1.3
185.13252	33.5
186.13626	2.0
199.14708	0.7
203.14307	15.0
204.14752	0.5
229.17381	0.6
281.22546	5.5
297.22147	1.6
299.23679	41.2
300.23962	2.8
312.27002	1.3
312.32568	6.9
313.32965	0.7
326.34137	17.0
327.34430	0.9
328.26318	4.2
329.26743	0.6
330.23938	1.0
330.27875	20.2
331.28259	2.1
346.27335	1.6
356.25797	1.6
356.35229	1.4
374.26846	31.8
374.36264	68.5
375.27139	3.9
375.36691	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	374.2688
Annotation	Lanitine
Peak:m/z	Relative Intensity
55.01877	1.1
55.05511	4.6
56.05041	6.1
57.03440	9.4
57.07063	3.1
58.06601	70.1
60.04529	5.9
65.03934	1.7
67.05498	12.1
68.05020	1.5
69.03421	1.1
69.07056	4.9
69.47620	2.3
69.48032	2.6
70.06589	11.1
71.08629	1.6
72.08153	4.5
73.44354	0.9
75.04463	0.8
79.05489	9.6
80.05042	1.1
81.05770	1.8
81.07050	15.0
82.06583	7.8
83.04977	1.6
83.08614	1.9
84.08148	1.7
85.06533	6.0
86.06065	100.0
86.09682	1.0
87.06378	1.6
88.07623	11.0
91.05479	72.5
92.05814	1.3
93.07046	9.7
94.06560	2.2
95.04950	2.8
95.07340	5.4
95.08609	14.6
97.06528	21.4
97.10172	0.9
98.06848	1.0
98.09682	2.0
99.08088	4.3
102.09155	5.5
103.05473	1.4
105.07030	11.3
107.04937	2.0
107.08595	2.4
108.08122	7.9
109.10160	2.5
110.09678	67.2
111.08057	1.3
111.10005	3.1
114.05530	12.4
115.05436	2.3
117.07018	64.0
118.07330	1.8
119.08573	2.9
121.06493	5.2
121.10120	1.8
123.11650	1.2
125.09659	0.9
126.12796	1.2
128.06224	3.2
129.07002	21.0
129.07886	1.5
131.08565	17.5
133.10170	1.2
135.11671	1.4
137.09628	1.0
137.26465	0.9
138.09117	3.9
143.08559	22.4
144.08928	0.9
145.10115	2.1
149.13315	0.9
154.12297	5.5
157.10152	6.1
159.11671	1.5
169.10080	0.8
171.11661	2.1
185.13246	19.3
203.14323	15.6
231.17538	1.0
245.19009	1.7
279.21014	1.4
297.22119	28.3
298.22537	2.5
310.25266	2.9
312.32608	14.5
315.23215	6.7
328.26337	58.8
329.26688	5.3
338.24695	4.3
346.27390	22.6
347.27695	2.4
356.25833	19.8
356.34689	0.9
357.26181	1.2
374.26859	69.0
374.36258	39.7
375.27271	8.6
375.36633	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	374.2689
Annotation	Lepedine
Peak:m/z	Relative Intensity
56.05038	0.9
57.03432	0.5
57.05827	0.6
67.05505	0.5
69.37482	1.2
70.06586	2.1
72.08155	100.0
73.08492	1.5
79.05494	0.5
81.07069	0.5
83.04970	0.2
84.08149	1.2
86.09720	0.2
91.05484	4.7
93.07046	1.3
95.08622	0.6
96.08147	0.5
97.06540	0.4
100.07632	0.5
102.09201	0.2
105.03394	1.5
105.07027	4.4
109.08868	0.3
111.08096	0.3
117.07024	0.4
121.94880	0.2
122.09719	0.2
124.11250	2.4
129.06966	1.0
131.38884	0.2
133.06458	0.4
163.51317	0.2
171.11681	1.0
183.69020	0.2
206.12775	0.2
221.09860	0.2
228.91478	0.2
326.18555	0.2
356.25711	1.7
374.26877	50.9
375.22455	0.4
375.27194	5.0
397.11133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2691
Annotation	Lepedine
Peak:m/z	Relative Intensity
53.03950	0.2
55.01881	0.2
55.05530	0.1
56.05026	0.7
57.03431	0.3
57.05818	0.5
58.06606	0.4
61.14362	0.1
62.61277	0.1
67.05518	0.4
70.02018	0.3
70.02377	0.3
70.06593	2.1
70.37482	0.1
72.08157	100.0
73.08485	1.5
73.08823	0.2
79.05505	0.3
81.07065	0.5
84.08138	0.8
84.51041	0.1
86.09727	0.1
91.05482	2.2
93.07028	0.9
95.04992	0.3
95.08610	0.5
96.08139	0.6
97.06555	0.4
100.07634	0.2
102.09179	0.2
105.03392	5.2
105.04487	0.2
105.07027	0.3
107.08599	0.1
109.08909	0.2
109.10189	0.1
110.09705	0.2
111.08081	0.2
112.08718	0.1
115.33582	0.1
117.07011	0.4
122.09632	0.2
124.11232	2.6
129.07028	0.6
131.08592	0.2
133.06502	0.3
135.37698	0.1
143.08537	0.2
157.10126	0.2
171.11694	1.0
219.14151	0.2
267.84915	0.1
356.25690	1.1
357.26251	0.2
374.26892	38.6
375.27246	4.3
387.53738	0.1
392.52841	0.2
397.11539	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	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.08622	0.3
55.05509	3.8
56.05045	0.4
57.03438	4.2
57.07071	0.5
58.06595	3.1
58.32774	0.3
59.04997	0.5
67.05505	11.2
69.03497	0.4
69.03895	2.6
69.07068	1.9
70.06589	1.7
71.04996	2.5
72.08155	22.5
72.27688	0.3
79.05490	5.1
81.07056	30.9
82.07386	0.6
83.04982	0.4
83.08617	1.5
84.08139	3.6
85.06541	4.0
85.08929	1.3
86.09707	3.2
91.05488	2.5
93.07033	1.7
95.04967	0.6
95.08613	3.3
96.08119	0.4
97.06503	0.3
97.10176	0.5
98.09694	1.0
98.22635	0.6
103.95538	0.3
105.07066	1.5
106.05003	0.3
107.08590	1.9
109.10151	2.7
121.10159	1.1
123.11698	4.4
124.11211	0.6
124.33662	0.3
127.59050	0.3
129.10234	0.5
130.10632	0.3
133.10135	3.5
135.11687	0.8
146.11778	0.3
149.86720	0.3
151.11156	2.3
169.12238	1.7
176.78255	0.3
187.13289	8.0
201.12355	0.5
209.64748	0.3
238.54552	0.3
265.21536	2.0
294.27893	8.3
295.28378	0.4
310.27383	29.3
311.22086	0.6
311.27692	2.4
312.28915	2.4
328.28522	3.7
338.26889	1.0
356.27936	23.6
357.28265	1.9
374.28986	100.0
375.29343	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91943	0.3
52.22232	0.4
53.03922	0.3
55.05511	1.2
56.05044	0.5
56.40829	0.4
57.03429	0.5
57.71780	0.3
58.06600	1.2
58.83580	0.3
59.69041	0.3
65.03938	0.8
67.05180	0.5
67.05513	3.9
69.07061	1.1
69.39108	0.8
69.39507	1.7
70.06596	1.2
71.05001	0.9
72.08159	12.1
73.08467	0.5
74.20532	0.3
79.05489	1.4
81.07066	3.7
83.05029	0.4
84.08147	2.1
84.16033	0.3
85.06564	0.7
85.08930	0.6
86.09715	0.8
86.86455	0.3
90.98534	0.3
91.05476	0.9
93.07054	1.6
95.04974	100.0
95.08619	3.0
96.05283	1.7
96.08150	0.6
97.06541	0.5
98.09726	0.9
98.22657	0.5
99.04509	0.4
102.09190	11.0
102.09869	0.6
105.07065	1.2
107.08578	0.6
109.06516	0.6
110.09723	0.4
111.08044	0.4
119.08583	0.8
121.10105	0.5
122.09683	3.3
123.10442	1.2
123.11698	0.4
124.11288	0.4
129.10234	0.5
140.10736	1.3
146.05942	0.3
147.11703	0.4
177.77188	0.3
211.16995	0.5
239.18025	0.4
275.20178	0.6
293.21106	1.0
310.13300	0.4
328.28561	0.5
338.26865	3.9
356.27966	24.0
357.28122	2.3
374.29019	57.3
375.29324	4.8
386.24609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05516	1.7
56.05020	0.7
57.02989	0.3
57.03437	1.7
57.07066	0.4
58.06586	0.7
67.05508	3.8
69.03445	0.5
69.07063	4.9
70.06586	2.5
71.05004	2.2
71.07366	0.4
72.08153	100.0
73.08486	1.6
77.94310	0.4
79.05495	3.4
81.07057	4.8
83.04985	1.4
83.08631	1.7
84.08136	2.0
85.06563	0.5
86.09712	2.9
91.05496	1.6
93.07050	4.2
95.04985	0.8
95.08603	4.1
97.06525	2.9
97.10164	0.4
100.07628	0.7
102.09179	1.2
105.07023	0.8
107.08574	2.6
109.06480	0.4
109.08897	0.4
109.10147	1.3
110.09678	0.4
111.08080	0.8
111.11720	0.7
115.05521	0.4
119.08575	1.3
121.06470	0.5
121.10149	2.1
123.08121	0.4
123.11678	0.6
124.11234	3.5
129.10233	1.0
133.10121	0.9
135.11699	2.3
145.10107	0.4
153.12717	0.8
155.78125	0.4
161.13261	0.4
163.14854	0.4
170.06062	0.4
181.15938	0.6
187.13373	0.5
191.23337	0.3
202.08679	0.6
217.14343	0.7
228.90457	0.5
235.16872	1.8
253.17960	0.6
275.20087	0.8
293.20963	0.5
310.27371	0.7
338.26898	3.6
339.27158	0.4
356.27939	20.4
357.28311	1.5
374.28970	75.6
375.24527	0.4
375.29337	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81446	0.7
55.05510	2.7
56.05034	0.9
57.03440	2.7
57.58550	0.7
58.06598	0.7
67.05505	4.2
69.07068	3.0
70.06601	3.7
70.60840	1.3
70.73002	0.6
71.04992	2.0
72.08160	100.0
73.08474	0.9
79.05511	3.1
81.07065	4.6
83.04979	1.1
83.08634	1.2
84.08138	3.5
85.06560	0.8
86.09708	2.4
91.05491	2.0
93.07047	4.6
95.04363	1.2
95.04973	21.3
95.08603	4.6
97.06535	2.8
100.07624	0.8
102.09186	3.8
105.07057	2.1
107.08604	2.3
109.10198	1.3
114.09180	0.6
119.08595	1.2
121.10163	2.0
122.09695	0.8
123.08060	1.0
124.11225	1.7
128.10762	0.9
129.37457	0.6
131.08568	0.7
133.10179	1.2
135.11739	1.3
137.05992	1.2
147.11720	0.9
210.14958	0.7
228.90652	1.0
328.28638	1.0
338.26950	3.2
356.27969	20.6
356.31598	1.0
357.28329	0.9
374.28976	84.6
375.29361	6.9
393.28314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05036	0.4
57.03445	3.3
58.06590	0.9
59.68855	0.3
63.58418	0.3
67.05508	4.5
69.02930	2.9
69.07063	1.7
70.06597	0.8
71.04978	1.1
72.08157	14.9
79.05497	2.7
81.07050	4.7
83.04983	1.0
83.08595	0.4
84.08150	2.5
84.09727	0.3
85.06531	0.8
85.08943	1.3
86.09713	1.3
91.05480	1.0
93.07051	2.8
95.04973	9.1
95.08606	3.2
96.08102	0.4
96.67004	0.3
97.06538	0.8
97.10154	0.6
98.09695	2.7
98.23379	0.7
99.08122	0.4
102.09192	3.9
105.07008	0.5
107.08575	1.6
109.10192	1.3
111.08135	0.5
121.10157	0.8
122.09633	0.4
124.11223	0.6
135.11678	1.6
135.13449	0.3
140.10680	0.5
142.12309	1.8
158.15411	1.0
171.13809	0.3
175.14938	0.4
183.13881	0.3
185.46779	0.4
188.07106	0.4
292.26230	0.9
294.27893	0.9
297.34143	0.3
310.27457	2.3
312.28912	3.2
328.28452	18.2
329.28763	1.4
334.22720	0.4
338.26791	0.9
356.27966	4.8
374.28998	100.0
375.24466	0.5
375.29263	7.9
375.33743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05491	1.6
57.02419	1.0
57.03440	2.8
57.07079	1.1
58.06606	7.0
59.06910	1.1
59.07386	2.0
60.08168	8.0
65.03938	1.6
67.05508	7.5
69.07052	2.9
69.59188	4.7
70.06580	2.1
72.08167	5.3
76.29880	1.0
79.05483	4.4
81.07067	6.7
83.08623	2.1
84.08157	2.4
86.09702	1.7
91.05486	36.2
93.07037	5.0
95.04971	12.4
95.08611	5.3
97.06533	4.5
101.06010	3.7
102.09251	1.3
105.07024	6.3
107.08589	1.9
109.10156	3.2
111.08152	1.4
117.07037	21.9
119.08564	4.9
121.10176	2.7
128.06233	1.5
129.06992	8.7
129.10320	1.3
131.08574	9.3
133.10127	1.9
137.05984	1.3
137.48015	1.2
142.07784	1.5
143.08569	8.8
144.13852	1.0
145.10124	2.3
157.10106	4.6
159.11719	1.2
171.11681	3.3
173.13147	1.1
183.11536	1.3
185.13271	3.6
195.11595	1.8
211.70284	1.0
223.14584	1.5
236.15363	1.1
268.30020	2.1
297.22034	1.4
300.29111	1.2
301.75018	1.0
315.23257	1.4
316.82941	1.1
317.32968	1.0
329.24420	3.8
350.81866	1.1
374.30453	100.0
375.30838	9.4
377.40854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05503	3.0
56.05035	10.0
57.03434	1.7
57.07069	3.3
58.06314	1.2
58.06600	24.1
59.04996	2.2
60.65025	0.6
61.84471	0.6
62.06081	2.5
66.00007	0.6
67.05511	5.4
69.07059	2.6
70.06586	3.0
71.04970	0.9
71.08622	1.4
71.30360	0.7
71.30718	0.8
72.04501	0.8
72.08154	53.0
72.19375	0.7
73.08502	3.8
74.06075	1.8
79.05481	2.2
81.07059	5.2
83.08607	1.8
84.08140	9.4
86.06051	1.7
87.06846	2.9
88.07602	0.7
91.05484	7.0
93.07040	2.6
95.04970	2.4
95.08604	5.5
97.06512	1.7
97.10139	1.1
100.07584	1.2
102.09177	100.0
103.09502	1.6
105.07023	1.9
107.08575	1.1
108.08112	1.4
109.10149	1.4
110.09665	0.8
111.06792	0.7
112.07586	3.3
117.07008	2.2
119.08580	1.0
121.10145	3.3
123.11645	1.1
129.06993	1.6
129.61623	0.7
131.08585	1.6
133.10155	0.9
135.11644	1.3
137.06024	0.6
142.07791	0.8
143.08534	1.4
145.10110	0.7
147.11734	0.8
157.10144	1.1
165.07150	0.6
270.22220	2.1
288.23074	1.0
314.21158	6.4
315.21579	1.0
319.85382	0.6
328.26413	0.8
342.30026	41.7
343.30453	4.1
356.34323	2.6
374.25525	1.2
374.30637	2.2
374.35635	11.5
383.31509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
56.96553	2.5
57.03439	4.5
57.07069	5.7
58.06604	10.8
59.04992	2.5
60.08165	3.1
62.06099	9.5
67.05510	13.3
69.07066	7.3
69.65045	5.9
70.06586	4.6
71.05015	1.6
71.08611	2.6
72.08159	85.0
79.05491	4.7
81.03409	9.1
81.07050	11.5
83.08627	4.9
84.08172	2.8
85.10173	1.7
86.09715	5.6
88.07630	1.9
91.05467	11.5
92.05820	1.6
93.07061	4.9
95.04969	24.5
95.08609	16.6
97.06535	3.4
97.10168	3.5
99.52370	1.5
101.06064	2.0
102.09179	4.3
105.07043	6.3
107.08595	2.8
109.06535	2.4
109.10173	4.4
117.07034	5.7
119.08591	4.4
121.06540	2.1
121.10157	6.4
123.04420	2.4
123.08082	2.2
123.11719	2.6
129.07013	3.0
131.08572	2.0
133.10132	3.2
135.11734	3.7
137.05981	2.5
140.23354	1.4
142.65854	1.5
143.08527	4.0
145.10156	2.4
147.11760	1.3
147.80048	1.5
154.15886	1.7
157.10115	1.7
159.11694	1.6
163.11194	2.9
171.11629	2.3
173.13292	1.5
175.14861	2.1
183.11562	1.5
193.15961	4.3
197.13312	1.9
203.14151	2.0
245.39281	1.6
262.24298	1.5
263.17670	1.4
288.67227	1.5
297.18585	2.0
329.24530	2.6
338.34195	2.7
351.14865	6.3
356.35275	13.5
369.16064	2.5
374.30643	38.4
374.36298	100.0
375.26596	3.1
375.30847	4.7
375.36597	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	375.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01883	1.2
55.05506	2.1
57.03441	4.1
57.07065	0.7
65.03934	2.8
67.05504	20.1
69.03427	1.7
69.07058	2.3
69.54525	4.5
71.04983	1.9
74.07599	0.8
74.65286	0.8
76.22668	0.8
79.05492	4.0
79.60339	0.7
81.03417	62.0
81.07050	4.5
82.03741	0.9
83.05009	1.9
83.08588	0.9
91.05448	5.3
93.07043	6.7
95.04967	100.0
95.08610	6.0
96.05289	1.8
97.06528	1.1
102.09179	2.1
105.07021	9.6
107.04963	2.9
107.08592	8.7
109.06519	6.5
109.10174	3.0
111.08070	1.0
115.05466	0.9
117.07030	2.9
119.08578	13.0
121.06532	4.7
121.10144	20.8
123.04419	12.7
123.08079	8.4
123.11720	4.1
128.06174	0.9
128.41138	0.8
129.07010	2.1
131.08586	4.5
133.06503	1.6
133.10121	9.4
135.08034	5.0
135.11667	6.1
137.09618	2.7
141.05473	2.3
142.07755	1.2
143.08597	3.5
144.09338	1.6
145.06453	4.8
145.10126	9.7
147.08038	7.0
147.11711	2.7
149.09637	2.9
149.13222	1.4
151.07527	1.8
151.11189	1.2
155.08592	1.0
157.10158	3.0
159.08038	1.4
159.11658	6.3
161.09621	3.4
163.11177	13.0
165.09152	1.1
167.08574	1.0
169.10156	2.1
171.08087	1.2
171.11617	2.3
173.09610	3.2
173.13300	3.8
175.11218	2.7
175.14824	9.3
177.09116	1.6
177.12775	5.2
178.13051	1.0
181.10089	1.5
183.08034	1.1
183.11688	2.1
185.09669	2.0
187.11134	2.4
187.14824	1.1
189.12721	2.0
191.14317	3.5
192.62518	0.8
193.12289	1.2
193.15877	23.4
193.17604	1.5
195.11572	1.1
197.13306	2.7
199.11182	2.9
201.12715	2.3
203.10678	1.3
203.14311	2.2
209.09592	1.0
213.12640	1.7
215.14362	2.1
225.12733	2.7
227.14325	2.1
229.15829	1.0
239.14343	2.2
241.15884	3.0
243.13843	2.2
254.16655	1.1
255.17384	1.0
269.19073	3.6
273.14871	1.1
273.18375	1.3
279.17374	2.9
287.16592	0.9
297.18509	11.4
315.19525	12.9
346.26801	0.8
358.27444	2.7
375.21838	5.1
376.28476	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	375.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
54.23450	2.9
55.05514	10.8
56.05026	3.8
57.03438	6.4
57.07075	8.3
58.06593	8.7
60.08160	3.6
62.96218	3.4
65.03944	4.0
67.05509	24.0
67.55163	3.3
69.07053	7.7
69.22215	24.6
70.06582	4.1
72.08161	70.1
72.70798	3.1
73.08492	8.7
79.05498	6.5
81.03418	37.8
81.07053	22.0
83.08636	6.7
84.08166	4.2
84.08936	3.2
88.29057	2.9
91.05483	26.0
93.07058	12.2
95.04977	100.0
95.08601	20.7
96.05299	3.2
97.06590	4.1
98.22577	3.8
102.09172	16.1
105.07056	13.5
107.08595	17.3
109.06537	12.9
109.10154	5.1
117.07022	11.0
119.08593	20.3
121.10136	24.6
123.04440	11.2
123.08018	5.7
123.81140	3.2
129.06979	7.0
131.08574	10.8
133.06544	5.0
133.10161	9.9
135.08011	4.2
135.11714	7.2
137.09698	4.1
143.08572	6.9
145.10159	14.3
147.08089	6.1
149.09641	4.8
153.05278	3.5
157.10133	8.1
159.08076	4.0
159.11743	8.4
161.09671	5.2
163.11183	14.8
169.10240	4.3
171.11684	4.1
173.13234	5.7
175.11203	4.9
175.14862	11.6
179.08638	4.2
183.11635	4.7
185.13188	7.9
193.15883	15.1
197.13286	6.2
203.14325	7.3
209.13150	5.4
229.15834	3.4
239.60541	3.2
243.79509	3.2
269.19171	3.6
297.18439	7.9
315.19632	5.1
338.34052	3.5
356.35217	7.2
357.35486	4.2
358.27292	8.1
374.36273	43.8
375.26636	13.5
375.31259	26.3
375.36536	45.4
376.28287	20.4
376.32455	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	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.05503	2.1
57.03436	8.5
65.03954	3.3
67.05511	24.0
71.05007	2.2
72.08164	1.8
79.05496	1.9
80.94852	1.8
81.03423	63.6
81.07061	3.5
85.06496	1.6
89.76737	1.4
91.05486	2.9
93.07082	3.2
95.04982	100.0
95.08630	3.0
96.05318	1.7
99.08072	2.8
105.07040	6.5
107.08570	3.7
109.06541	4.5
109.10126	2.0
113.09640	1.7
117.07003	2.7
119.08566	9.9
121.06526	1.8
121.10159	28.4
123.04421	20.9
123.08096	7.7
129.06941	1.7
131.08591	2.9
133.10124	8.6
135.08063	2.0
135.11716	4.9
137.09662	4.5
141.05472	5.5
143.08511	2.2
145.06476	5.6
145.10162	3.0
147.08090	7.4
147.11688	3.2
151.36292	1.8
157.10123	2.4
159.08067	1.7
159.11740	6.0
163.11134	2.2
164.91916	2.1
173.13300	6.9
175.11264	2.3
175.14877	11.5
177.12772	7.0
185.09538	1.7
187.11163	2.6
191.14307	5.6
193.15906	14.4
197.13287	2.5
201.12715	2.7
203.10756	1.9
211.50597	1.7
215.14310	4.7
218.08549	1.8
225.12862	3.2
227.14578	1.5
233.15350	3.7
241.15906	2.6
243.13721	2.0
255.14000	2.6
259.17047	2.9
279.17526	2.8
297.18488	7.0
315.19507	11.3
316.20090	1.6
375.21637	5.5
383.36966	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	375.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70393	5.7
51.80232	5.5
51.99845	6.0
52.37695	5.4
55.05513	13.6
57.03433	15.1
57.07077	9.7
58.06594	25.6
59.06934	6.1
62.88210	7.3
67.05517	29.9
69.07065	15.3
69.68530	27.0
72.08165	19.6
76.65891	5.4
79.05492	17.0
81.03423	44.6
81.07072	28.7
84.08131	7.2
86.06078	31.7
91.05480	42.1
92.05821	12.6
93.07045	18.8
95.04974	100.0
95.08615	20.7
98.22644	5.9
102.09207	9.6
105.07048	29.1
107.08596	13.5
109.06535	10.8
109.10179	9.1
110.09679	19.1
117.07005	21.0
118.07341	6.8
119.08604	29.0
121.10167	44.8
123.04426	12.0
123.11722	6.7
128.88252	6.7
129.07022	10.4
131.08583	16.9
133.10115	18.9
135.11684	9.5
143.08607	9.5
145.10149	14.3
151.07504	10.0
157.10138	10.5
159.11696	16.5
161.09613	6.7
163.11172	7.8
171.11693	8.7
175.14888	7.1
179.08496	6.6
193.15941	18.5
197.13277	9.9
201.12801	6.9
209.13335	9.4
214.25494	7.2
297.18588	11.9
315.19495	10.7
329.26654	11.8
347.27737	12.7
375.26779	40.5
375.31226	15.1
375.36694	8.9
376.28265	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23064	1.3
55.05511	9.6
58.06590	3.9
60.04535	6.9
69.07060	3.6
70.06591	5.1
71.28835	1.7
71.85343	1.3
72.08155	100.0
73.08492	2.2
75.79259	1.6
84.04502	1.7
84.08150	7.3
86.09707	64.5
87.05587	2.6
114.09170	1.5
128.10745	3.4
129.10234	3.7
130.08731	1.8
137.06013	3.3
143.11798	24.2
144.10187	3.1
159.11288	10.9
171.11288	12.9
173.12845	15.7
175.10771	11.5
187.10747	5.5
189.12340	11.3
201.12325	7.9
205.11885	11.6
225.15997	2.6
270.18188	2.5
375.16412	2.1
375.23871	2.1
376.26733	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	375.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77083	0.3
54.14973	0.3
55.05511	3.4
55.82180	0.3
56.05023	1.3
57.05815	1.0
58.06595	0.7
60.04530	1.6
67.05505	0.4
69.07065	6.9
70.06588	6.6
71.29948	0.4
72.08152	37.9
73.08499	0.6
74.06068	0.9
75.05602	3.2
79.05456	0.3
83.06104	0.3
84.04482	1.7
84.08139	5.2
85.02914	0.9
86.09701	100.0
87.05614	0.7
87.09499	0.6
87.10027	3.0
88.03970	0.4
91.05456	0.5
98.02384	0.4
100.07565	0.3
101.07143	0.4
102.05543	0.3
106.05019	0.9
107.04957	0.4
110.07163	0.7
111.08199	0.3
111.23782	0.3
112.08712	0.9
114.02161	0.3
115.08695	0.4
116.07053	0.4
118.08607	0.3
120.08105	0.5
129.10223	6.4
130.06482	0.5
132.10210	0.5
136.03931	0.3
143.11786	14.9
144.06601	0.7
144.10207	0.9
144.12184	0.3
145.09674	0.4
157.09735	4.4
159.09204	0.5
161.09242	0.6
161.12866	0.3
171.09827	0.5
171.11276	6.9
173.09196	0.7
173.12851	1.1
175.11925	0.7
187.10785	0.5
187.14391	0.4
199.18024	0.8
200.13995	0.6
200.18433	0.9
201.12312	1.1
203.13913	0.4
205.11821	2.7
213.11133	0.4
219.13367	6.2
225.15915	1.8
233.13058	0.4
242.18678	0.8
258.14520	1.1
262.15027	0.7
270.18066	4.1
271.18027	0.3
276.15527	1.8
357.21503	0.7
375.15900	0.4
375.23444	4.3
375.28717	0.8
376.19635	0.7
376.27048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.3
56.05038	5.8
56.96561	1.0
60.04520	2.8
60.05646	1.9
61.01162	1.6
63.06713	0.7
67.05500	0.9
69.07080	1.5
69.78904	1.7
69.79305	1.4
70.02959	0.8
70.06595	18.2
72.08157	52.8
73.08485	1.8
74.06077	1.3
82.06590	5.3
83.06094	1.0
84.04506	6.5
84.08146	100.0
85.04050	1.1
85.08483	3.2
86.09711	21.0
87.05605	1.7
87.10053	0.9
88.03996	6.5
96.08125	4.1
98.02433	4.3
98.06043	0.8
98.23292	0.8
99.09219	2.6
101.07142	1.3
101.10782	1.7
102.05558	2.9
104.05335	8.5
110.06022	0.8
110.07148	2.9
111.09207	2.1
112.07564	0.8
112.08739	2.8
115.08706	2.1
116.07091	3.1
118.93480	0.7
120.08126	2.0
122.74961	0.8
124.07586	2.1
127.08676	11.7
128.07068	2.1
129.06625	1.1
129.10245	30.7
129.11218	1.6
130.05023	2.0
130.08636	2.1
130.10611	1.5
138.09114	1.8
141.10226	3.4
142.08640	19.3
143.11778	1.3
144.10201	48.2
147.07721	1.1
147.11327	1.1
148.06042	2.6
149.07428	2.0
152.07086	0.9
155.11792	2.6
158.09230	1.9
159.09135	1.0
161.12859	52.7
162.13246	2.0
169.09723	4.0
170.08125	2.9
171.11345	1.0
173.12825	3.0
175.11879	4.2
179.03418	0.9
183.11319	1.7
187.10789	29.5
188.11195	1.1
200.13924	8.4
201.12318	2.8
201.14134	0.9
215.10222	1.8
226.11818	1.7
227.11398	1.2
228.13377	3.1
228.16975	1.6
229.11885	0.8
242.18495	0.8
244.12944	1.0
260.10590	3.1
260.19705	31.8
261.20023	1.4
262.15033	2.4
301.61450	0.8
357.17273	0.8
357.21490	1.6
358.19791	3.7
375.22672	45.0
376.23062	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	375.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
56.05031	3.0
57.05811	0.7
58.06603	2.2
60.04525	8.9
60.05642	1.7
67.05518	0.5
69.03442	0.7
69.07063	3.8
69.18136	1.3
69.18562	2.2
70.02956	0.7
70.06594	16.8
71.04990	0.5
71.06938	0.9
72.08157	55.1
73.02962	0.5
73.08495	1.7
74.06084	3.0
79.05488	0.7
81.03384	1.2
81.07053	1.1
83.06117	1.6
84.04500	4.3
84.08139	10.6
85.02886	0.7
85.08479	1.4
86.09705	100.0
87.05595	4.9
87.09474	1.0
87.10034	11.8
88.03987	0.9
88.07645	0.6
91.05499	1.3
93.07051	0.9
94.06566	0.5
95.06113	0.5
96.08141	0.8
98.06058	0.6
98.09695	0.5
100.04050	0.5
100.07591	0.6
101.07146	1.9
102.05544	1.7
102.09177	0.5
105.06621	0.7
106.05098	0.5
107.04948	0.6
108.08139	0.6
109.02824	0.5
110.07160	2.7
110.09649	1.2
112.08736	2.7
114.09168	0.9
115.08700	1.3
116.07098	1.9
117.03387	0.5
118.03822	0.4
119.04905	0.5
120.08108	3.5
126.09164	1.0
127.03945	0.8
128.10728	4.1
129.10239	11.4
130.05003	0.8
130.06531	0.6
130.08624	0.8
130.10612	1.1
132.08121	0.6
132.10179	0.9
136.07600	1.3
141.10280	0.8
143.11832	3.3
144.06561	1.2
144.10190	4.1
145.02869	0.5
145.09740	1.6
146.03238	0.5
147.11287	0.7
148.06058	2.0
152.10736	1.7
155.08231	0.8
157.09735	2.1
159.09204	0.9
159.11275	2.7
161.09265	1.0
161.12894	0.8
163.03874	0.6
169.09720	0.6
169.13321	1.1
170.11797	1.1
171.11301	1.6
173.09280	1.6
173.12860	29.8
174.13258	0.8
175.10756	12.8
177.05479	1.0
183.11383	0.7
187.10812	1.7
187.14423	2.0
188.12851	0.9
189.12343	3.0
199.18053	3.9
200.18413	6.0
201.10571	0.8
201.12335	15.3
202.12720	0.5
203.13972	1.8
205.11884	0.7
213.11143	0.9
213.15990	0.5
214.10835	0.5
219.13434	3.3
219.15248	0.5
227.17552	1.1
228.17929	2.2
233.13173	1.1
242.05260	0.5
255.17006	0.6
261.14465	0.9
262.14984	2.9
270.18176	1.2
273.13519	0.5
282.18311	1.1
312.25116	0.6
321.69141	0.5
357.27997	0.7
358.21829	0.5
358.25961	1.4
375.12177	0.5
375.16104	1.1
375.19949	1.4
375.23663	7.7
375.29257	2.2
376.19641	0.5
376.27142	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	375.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
53.92519	2.5
55.05515	15.8
57.07076	6.0
65.03946	3.9
67.05499	28.4
69.07068	14.2
69.46128	13.3
73.14467	2.1
79.05492	32.2
81.07056	57.6
83.04974	3.9
83.08614	4.8
88.07644	3.6
91.05475	59.2
93.07042	76.5
94.07383	2.3
95.04975	44.5
95.08605	41.1
97.06511	11.7
103.05456	5.8
105.07026	100.0
107.08579	44.6
109.06503	10.4
109.10152	23.7
110.10383	2.4
115.05445	3.2
117.07009	20.7
119.08572	80.6
121.06503	12.4
121.10136	73.9
123.08074	6.3
123.11689	8.4
128.06204	8.3
129.06978	14.9
130.07751	5.5
131.08562	42.2
132.08936	3.0
133.10129	40.0
134.10539	2.3
135.08092	5.7
135.11696	10.1
137.13150	2.9
141.06978	7.8
142.07765	21.9
143.08563	28.1
144.09312	10.8
145.10107	64.1
147.11638	11.7
154.07825	2.7
155.08510	8.5
156.09314	10.7
157.10120	39.8
157.29881	2.8
158.10840	5.5
159.08075	3.3
159.11678	33.3
161.09618	12.0
161.13203	5.3
165.06979	3.0
167.08539	5.8
168.09348	5.2
169.10126	20.9
170.10832	3.8
171.11693	13.4
173.09610	3.5
173.13268	14.3
175.11180	4.2
175.14859	7.6
179.08594	7.9
180.09383	4.2
181.10123	8.8
182.11009	3.8
183.11714	13.4
185.09630	3.7
185.13214	6.6
187.11203	6.3
187.14841	11.7
193.10114	6.4
194.10966	3.3
195.11688	7.4
196.12392	4.8
197.13197	12.6
199.11125	3.8
199.14847	6.7
201.16396	4.5
206.10907	3.8
207.11612	5.7
209.13286	12.3
211.14839	6.7
213.16359	3.2
221.13281	7.1
223.14804	4.8
225.16426	5.7
235.14774	4.0
251.17891	3.4
253.15948	4.3
253.19447	2.8
265.19571	3.6
301.56116	2.4
357.25638	4.4
375.15649	5.4
375.26773	27.1
375.36484	6.6
376.27002	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	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01867	5.0
55.05516	100.0
57.07077	3.6
61.82156	1.9
67.05502	17.9
69.06062	16.0
69.07060	7.9
71.04982	4.3
71.08601	2.1
79.05499	31.5
81.03410	5.3
81.07059	92.0
82.07391	2.2
83.08621	44.7
88.07581	2.4
91.05482	17.9
93.07034	14.8
93.37348	2.4
95.04971	7.6
95.08601	14.0
97.06516	5.7
99.08093	2.6
105.07044	15.0
107.04977	4.6
107.08601	16.0
109.06519	41.4
109.10159	6.9
111.08080	4.5
111.79065	2.0
113.09715	2.2
117.07028	3.8
119.08566	13.0
121.06517	4.2
121.10143	9.5
123.08080	4.3
123.11717	3.5
131.08629	9.3
131.22180	2.2
133.10152	15.9
135.08049	3.8
135.11717	3.3
145.10106	7.7
147.11732	13.8
149.09584	4.4
149.13252	10.0
151.11143	3.1
157.10121	2.4
159.11690	7.6
163.11215	3.8
163.14873	2.5
165.12752	6.7
171.86861	2.2
173.13280	4.4
175.11203	2.0
175.14899	2.1
185.13216	3.1
187.14879	2.4
193.12215	3.9
202.35588	2.1
229.19539	5.2
239.17973	2.8
247.20630	7.6
257.18991	5.7
275.20114	73.3
276.20419	3.6
293.21008	10.6
375.29071	11.6
375.36630	3.8
376.25714	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58923	1.1
54.47715	1.2
57.03430	2.2
57.34487	0.9
58.06609	10.0
58.14378	1.0
59.69210	0.9
61.02926	2.4
69.03423	4.6
70.06580	6.8
70.80265	2.4
71.04972	1.8
72.08164	2.7
73.02913	1.1
81.03422	2.6
81.07038	1.6
84.08159	1.5
85.01883	1.0
85.02909	21.2
86.09698	3.5
91.03929	1.3
95.48273	1.1
97.02882	5.8
98.89523	1.0
108.08072	1.7
109.02861	1.5
110.09665	2.2
120.08118	2.1
127.03915	2.9
137.05980	100.0
138.06317	2.6
138.25298	1.0
145.04968	6.0
151.07533	2.0
173.09155	1.5
179.07045	28.6
180.08728	1.5
197.08092	4.6
209.09184	1.2
223.64136	1.1
330.26392	2.3
340.24695	4.0
358.25833	7.5
376.26910	16.9
377.22018	1.5
377.26740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
56.96574	0.7
57.03436	1.5
58.06606	7.6
60.04520	1.3
61.02926	3.2
67.05510	0.9
69.03428	5.6
69.57635	3.3
70.03419	0.8
70.06593	6.1
71.04980	0.7
72.08157	4.0
73.02903	1.6
77.29188	0.8
81.03426	3.1
81.07050	1.0
84.08145	2.0
85.02908	19.9
86.09711	2.9
88.07648	1.1
91.03958	1.4
91.05491	1.1
93.07055	0.9
95.04988	0.9
97.02921	6.1
108.08160	1.3
109.02887	0.9
110.09691	2.0
115.72377	0.8
120.08107	2.0
122.03642	1.5
127.03963	3.1
127.25222	0.7
137.05984	100.0
138.06335	2.6
144.10185	1.8
145.04974	6.4
159.11345	0.9
173.09193	1.0
179.07039	29.7
180.07312	1.3
180.08763	1.7
187.63943	0.8
197.08116	4.9
237.17081	1.2
337.35251	0.9
340.24890	2.3
340.87238	0.9
358.25760	6.6
376.16589	1.0
376.26932	10.4
377.21777	1.2
378.56058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.0
56.96571	22.0
57.07088	20.2
69.07072	11.4
69.67546	20.6
70.06604	15.9
71.08637	6.6
71.95293	9.6
81.07073	9.5
83.08620	8.2
88.07652	18.2
89.07955	7.9
93.07069	10.1
98.98475	37.0
102.09193	7.9
107.08559	8.9
121.10162	5.3
128.98653	10.4
155.01068	43.6
180.10730	5.3
205.19537	7.8
223.20676	6.5
312.32956	5.2
313.32999	30.0
314.33371	14.2
317.17929	40.2
335.18982	100.0
336.19354	6.4
339.11526	5.1
353.16125	4.9
353.19891	27.1
353.54617	4.7
358.20694	9.5
375.36627	60.8
376.25803	10.8
376.36853	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56427	0.3
54.76530	0.3
57.07075	42.3
58.06594	0.8
58.07402	0.6
60.08157	0.6
65.97367	0.3
67.05499	0.5
69.61555	1.2
69.61960	0.6
72.08153	9.1
81.07038	0.6
84.08131	0.8
86.09726	0.5
90.64368	0.3
91.05472	2.9
95.04963	22.8
96.05314	0.4
98.09702	1.1
98.23334	0.4
99.48027	0.4
102.09182	4.2
105.07019	0.4
108.04481	0.6
117.07047	2.1
118.08681	0.5
122.09684	1.0
124.08669	0.7
125.07101	5.9
126.05511	4.2
129.07002	0.9
131.08565	0.5
134.07092	0.6
135.05598	0.5
136.03906	0.5
143.08572	0.8
153.10413	0.4
177.97676	0.3
178.55630	0.3
185.13316	0.4
191.11751	1.5
192.10252	0.4
208.14456	2.3
209.12845	13.1
210.11230	1.4
210.13120	0.8
218.12859	5.0
219.11288	3.0
219.13197	0.6
246.97948	0.4
260.15207	1.2
268.87042	0.3
274.19159	0.5
275.17502	8.6
276.17853	0.9
287.64133	0.3
292.20181	9.1
293.18491	7.1
294.18918	0.5
302.18600	17.0
303.18808	1.3
313.21677	0.3
340.26236	0.8
343.22430	0.6
358.27588	6.1
376.25827	100.0
377.26065	9.4
394.26978	4.4
395.27295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02407	0.6
55.05503	1.1
56.05021	2.6
57.05801	0.8
58.06603	28.0
61.12619	0.7
66.92595	0.6
67.05489	2.6
69.07069	1.9
70.06593	6.2
70.60765	1.5
70.61106	0.8
72.08157	4.9
73.07122	0.7
79.05476	2.3
81.07068	4.4
84.08121	2.4
86.09702	1.6
91.05479	3.2
93.07041	1.7
95.08584	3.4
96.08116	0.9
97.06506	0.8
105.06985	0.8
106.64381	0.8
107.08585	1.0
108.08105	2.0
109.06526	0.8
110.09655	0.9
111.31229	0.7
118.08656	0.9
119.08524	0.8
120.08099	1.5
121.10125	1.6
126.09146	2.6
144.10187	10.0
168.12973	0.7
294.24268	2.5
296.25836	3.2
312.25360	7.9
314.26828	4.6
314.51401	0.7
330.26401	11.8
331.26651	1.7
331.78964	0.8
340.24762	1.9
358.25848	8.2
376.26883	100.0
376.30255	5.0
377.27216	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	376.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01865	0.5
55.05514	1.9
56.05033	1.0
57.03188	0.3
57.03440	2.3
57.05820	0.4
57.07082	0.3
58.06604	7.6
67.05505	6.1
69.07072	2.5
69.67732	0.3
69.68132	0.7
70.06595	4.2
70.06960	0.3
71.04998	2.6
71.07369	0.5
72.08156	100.0
72.89257	0.2
73.08496	0.9
79.05494	3.1
80.08028	0.2
80.76955	0.2
81.07059	9.7
82.07432	0.2
83.04995	0.4
83.08608	0.9
84.08148	1.0
85.06538	1.2
86.09698	2.0
91.05477	1.9
93.07040	3.0
95.04987	0.4
95.08604	6.4
96.08133	0.5
96.36262	0.2
97.06523	1.6
97.10143	0.3
99.04463	0.2
99.08109	0.4
100.07631	0.4
101.08395	0.3
101.70506	0.2
102.09190	0.6
105.04514	0.2
105.07051	1.3
107.08585	1.5
108.08144	0.3
109.08933	0.4
109.10148	1.1
110.09704	0.8
111.08089	0.6
117.07021	0.3
119.08563	1.5
120.08128	0.4
121.10162	1.5
122.09706	0.3
123.11728	0.8
124.11228	3.4
125.11593	0.2
129.24487	0.2
131.08572	0.5
133.10127	0.5
135.11717	0.8
145.10149	0.3
147.11700	0.7
159.11758	0.2
165.12773	0.3
187.13345	0.3
187.14972	0.2
193.57912	0.2
197.87651	0.2
210.58118	0.2
227.94963	0.2
263.13928	0.5
294.24374	0.3
296.25897	0.2
312.25400	0.2
340.24780	0.2
340.28452	2.8
358.25800	1.9
358.29535	18.6
359.26273	0.2
359.29889	1.8
376.30603	77.3
377.30930	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	376.2846
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
52.50298	1.7
52.75031	1.5
53.03949	2.6
55.01873	7.9
55.05511	5.0
57.03436	6.0
58.06600	20.8
58.39965	1.5
59.08957	1.6
67.05509	11.4
68.05033	3.0
69.07063	11.9
70.06591	21.3
71.04993	4.0
72.08156	74.2
79.05486	13.5
80.05016	7.2
81.03430	3.5
81.07053	32.9
83.04969	2.3
84.08152	10.2
85.08904	8.5
86.09708	6.8
87.48286	1.8
91.05481	23.3
93.07059	7.7
95.04963	6.0
95.08610	24.4
96.08150	3.3
97.06542	7.1
98.06060	24.5
98.09707	7.5
105.03396	7.7
105.07018	12.8
107.04930	2.4
107.07336	2.5
107.08590	3.4
108.08118	3.2
110.07198	4.2
110.09631	3.0
111.08085	5.9
114.09156	3.2
114.44408	1.8
115.05473	3.4
117.07053	8.4
120.08090	4.7
123.08029	2.3
124.11240	3.6
126.05524	7.0
128.06244	7.9
128.10725	7.1
129.07001	45.6
129.07896	3.3
131.08560	15.3
133.10150	4.1
140.14340	1.7
141.07011	6.3
142.07797	7.8
142.92656	1.8
143.08557	7.2
144.06557	75.1
145.06790	2.2
147.11647	2.8
153.05476	3.3
155.08566	11.7
156.49532	1.8
157.10143	28.4
167.08582	2.3
171.11714	3.0
181.10136	3.0
183.11693	3.5
195.11731	2.3
196.17027	6.6
204.17575	1.7
221.13232	2.8
238.21654	38.3
239.22035	2.3
240.19556	2.6
330.24170	2.3
340.26315	86.4
341.26633	7.9
352.82358	2.1
358.23788	7.3
358.27396	100.0
359.27682	7.0
368.53033	1.9
376.17523	2.5
376.24603	32.7
376.28558	79.9
377.20557	2.0
377.24969	3.9
377.28873	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05508	1.7
56.05037	0.7
57.03440	2.3
58.06605	8.7
67.05499	2.6
69.03401	0.4
69.07072	1.0
70.06598	3.2
70.59403	1.1
71.04990	1.8
72.08157	80.5
73.08488	1.3
79.05498	3.1
81.03428	1.0
81.07061	10.7
83.04981	1.1
84.08154	4.0
85.06567	0.9
85.08932	1.5
86.09696	1.0
86.73426	0.4
91.05482	19.2
93.07058	3.0
95.04993	0.6
95.08611	4.7
96.08158	1.0
96.08958	0.5
97.06536	1.8
98.09678	2.4
99.04405	0.5
102.09149	0.9
103.05461	0.4
105.03391	1.4
105.07030	10.4
107.04919	0.7
107.08601	1.5
108.08045	0.4
109.10162	1.1
109.29004	0.5
111.08089	2.1
112.11247	0.6
114.09183	0.5
115.05459	1.7
117.07024	6.0
119.08613	1.1
120.08131	0.7
121.10140	0.6
123.08080	0.9
124.11228	3.1
126.12791	0.6
128.06294	0.5
129.07001	11.4
131.08571	2.8
133.06425	0.8
133.10159	2.2
135.11710	0.7
139.07524	1.5
141.06985	1.5
143.08571	2.2
145.10109	0.8
147.08025	2.6
151.11220	2.3
155.08580	0.8
157.10144	5.0
161.09555	0.5
169.10172	0.6
171.11703	3.9
175.11211	0.9
181.10107	2.2
183.11566	0.5
184.17101	0.5
189.12749	1.0
196.16954	1.7
199.11221	1.0
209.13396	0.7
217.12149	2.1
245.15529	0.5
271.20056	0.4
313.21454	1.2
358.07147	0.4
358.27399	44.2
359.27768	3.8
376.28467	100.0
377.15289	0.7
377.28821	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2845
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
55.05503	0.3
56.05031	1.1
56.39647	0.3
57.03435	1.0
57.05816	0.4
58.06603	0.5
66.58691	0.3
67.05512	0.6
69.07062	0.3
70.06579	2.0
70.55534	0.8
72.08154	100.0
73.08489	1.9
79.05480	0.9
81.07058	1.5
84.08156	0.9
91.05482	1.5
93.07047	0.8
95.04961	0.6
95.08620	1.0
97.06551	0.6
98.09682	0.4
100.41772	0.3
102.09182	0.5
105.03398	2.8
105.07019	0.3
107.04955	8.1
107.08638	0.4
109.08919	0.4
111.90285	0.3
117.07002	0.6
121.06484	0.3
124.11224	2.2
129.07014	0.8
133.06491	0.9
139.74168	0.2
143.08580	0.4
145.06468	0.3
159.08058	0.4
171.11743	0.4
202.41667	0.3
217.12042	0.3
222.76817	0.3
252.87112	0.3
316.81580	0.3
340.26413	0.3
354.22769	0.3
358.27350	5.9
359.27875	0.6
376.28427	40.3
377.28833	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	376.2843
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
56.05043	0.3
57.03445	0.3
58.06593	1.0
60.95843	0.3
65.03939	0.9
67.05515	1.5
69.42735	1.4
70.06567	0.4
72.08142	0.6
72.30073	0.3
78.82565	0.3
80.94829	0.7
81.07049	0.8
84.08131	1.8
91.05478	7.5
91.06010	0.6
93.07023	0.5
95.04966	100.0
96.05296	1.6
96.08110	0.5
98.09675	0.5
102.09175	10.1
105.07029	1.1
117.07011	4.8
121.06464	0.4
122.09664	4.8
123.10432	0.8
129.07033	1.6
131.08583	1.8
136.11241	0.3
140.10698	1.3
143.08560	1.2
185.13271	0.8
203.14308	0.5
251.30232	0.3
313.21536	3.5
340.26285	4.4
358.27380	22.9
359.27667	2.1
376.28427	31.5
377.28711	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	376.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01875	5.9
55.05521	7.3
56.05031	2.8
57.03440	4.8
58.06604	25.9
62.06091	19.3
65.03942	1.2
67.05505	15.5
67.25320	1.2
69.07063	18.5
70.06587	8.9
71.04996	6.0
72.08157	100.0
73.08489	3.1
79.05499	12.6
81.03413	1.9
81.04549	2.8
81.07064	33.4
82.06581	2.3
83.05001	2.8
83.06113	4.7
83.08620	3.7
84.08138	8.9
85.08942	4.8
86.09711	4.0
91.05479	21.3
93.07043	11.2
95.04997	11.1
95.06107	5.1
95.08609	23.7
95.09167	2.2
96.08149	5.6
97.06525	6.8
97.10186	3.2
98.09696	7.4
99.04453	1.8
102.09182	7.7
105.03403	7.4
105.07019	8.5
107.04988	2.3
107.07370	3.7
107.08572	7.2
108.08136	5.9
109.06509	1.3
109.10152	4.2
110.07191	2.2
110.09690	2.5
111.08083	3.7
114.09190	5.2
115.05466	3.8
117.07021	8.3
119.08606	5.0
120.08102	7.2
121.10162	3.6
122.09679	3.7
123.08089	1.7
124.11243	4.7
126.09168	1.7
128.06229	3.7
128.10725	1.9
129.07002	37.7
130.07404	1.7
131.08566	12.5
133.10144	3.9
135.08080	1.4
135.11700	2.2
136.07588	3.2
137.09636	2.0
141.07043	4.6
142.07793	6.0
143.08566	8.1
144.10193	3.2
145.09990	3.1
147.11726	3.0
149.13187	1.6
151.11200	1.7
153.05484	4.5
155.08516	9.2
157.10144	25.2
158.10477	1.9
159.11565	1.4
167.08560	1.8
169.10168	2.2
171.11829	3.2
181.10153	2.4
183.11646	2.9
190.13354	7.5
195.11710	2.6
196.17026	5.9
204.17578	1.4
209.13387	2.1
218.12946	1.9
238.21667	38.8
256.22775	4.8
340.26328	82.9
341.26712	8.7
342.33649	1.4
349.22238	8.7
358.23627	10.2
358.27347	96.5
359.23923	1.9
359.27872	10.3
365.80811	1.3
376.17114	1.8
376.24600	46.5
376.28870	83.3
377.24744	5.2
377.29041	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	376.2844
Annotation	Calyciphylline O
Peak:m/z	Relative Intensity
52.52546	6.7
55.57016	8.3
58.06597	6.9
61.57528	7.5
71.28483	10.3
72.08158	42.2
81.07072	9.5
81.56571	8.0
84.08135	9.2
91.05491	18.3
102.17644	7.1
105.03394	45.2
120.24293	7.9
145.67860	7.5
185.94933	8.6
202.44923	8.2
358.27469	65.2
376.28516	100.0
377.28741	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19503	0.4
53.85651	0.6
55.05514	0.9
56.05035	0.8
57.03430	2.2
58.06599	31.1
65.03938	1.6
67.05494	4.2
69.07049	0.6
69.92471	1.8
70.06602	3.3
71.04986	0.6
71.07346	0.6
72.08152	27.0
72.82933	0.5
79.05484	4.9
81.07057	10.3
84.08137	4.4
85.08913	2.7
86.09702	1.2
91.05477	42.7
92.05826	1.1
93.07047	3.1
95.04936	0.7
95.08604	14.6
96.08131	1.0
98.09687	3.3
98.23212	0.6
101.14119	0.5
105.03412	0.8
105.07025	38.6
106.07393	0.9
112.11310	0.5
117.06985	2.5
119.08596	1.1
121.10059	0.5
123.08083	2.5
124.11234	2.0
129.06998	7.1
130.07353	0.5
131.08496	0.6
133.06471	3.4
133.10072	0.6
135.11665	0.5
143.08583	1.8
144.46921	0.6
147.11714	0.9
157.10068	0.7
161.13188	0.7
171.11670	6.0
181.10136	1.4
196.16859	1.1
197.59624	0.5
199.11189	1.1
210.18419	0.7
340.26315	0.9
358.27380	53.4
359.27802	5.3
376.28455	100.0
377.24368	0.5
377.28784	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	376.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32808	2.2
51.33096	2.1
53.03969	2.1
55.05511	4.3
56.05031	10.7
57.07069	2.7
58.06591	8.2
60.04526	15.7
67.05500	9.8
69.07053	6.3
70.06596	4.2
71.11398	3.4
72.08152	3.6
73.36604	2.3
79.05491	25.0
81.07057	100.0
84.08130	2.6
86.06053	9.0
88.07651	3.2
91.05481	78.1
93.07045	6.5
94.18632	2.0
95.04946	12.5
95.08594	7.0
97.10213	3.2
99.08090	5.0
102.09158	2.7
105.07021	13.1
107.04952	4.6
107.08581	4.2
109.10161	3.5
115.05477	2.2
117.07015	72.2
119.08614	4.6
121.06480	6.5
121.10174	4.3
129.07005	25.9
129.32524	2.1
130.80688	2.0
131.08551	12.6
143.08556	30.3
148.56857	1.9
149.13298	3.2
155.08528	2.5
157.10115	6.5
185.13245	31.9
201.49382	2.0
203.14372	15.3
281.22620	5.8
299.23676	60.4
300.24063	6.1
303.23172	3.2
312.26797	2.7
330.27972	28.5
358.27399	54.8
358.31934	2.7
359.27615	5.8
376.32367	4.0
376.36865	7.3
377.26831	2.8
380.72470	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	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01317	0.3
55.05513	3.8
56.05033	0.8
57.03443	4.3
58.06603	4.5
59.05011	0.7
67.05505	8.0
69.03420	1.1
69.07070	3.5
69.92295	1.5
70.06593	24.4
71.04982	0.9
71.06934	0.6
71.07350	0.4
72.08156	26.2
73.93699	0.3
79.05484	2.8
81.03401	0.5
81.06590	0.6
81.07056	10.8
82.06579	0.6
82.07391	0.8
83.08618	1.4
84.08145	2.8
84.22198	0.3
85.02894	1.4
85.06541	1.2
85.08926	1.2
86.09708	4.6
87.04472	0.4
91.05457	1.1
93.07035	2.9
95.04957	0.6
95.08612	8.8
96.08130	0.7
96.08927	0.5
97.06512	0.4
97.10172	1.5
98.06023	0.4
98.09692	5.6
99.08100	0.5
102.09183	1.1
103.05488	0.7
105.07050	0.5
107.08593	1.9
109.02865	0.4
109.10148	4.1
112.11253	0.7
119.08560	0.9
120.08114	5.9
121.10136	1.6
123.11694	1.2
127.03904	0.8
129.06917	0.4
130.71910	0.4
131.08556	0.5
133.10156	0.6
135.11694	1.8
149.13284	0.7
153.05478	0.5
164.07419	0.6
169.13329	2.0
169.64255	0.4
178.16714	1.1
180.10196	0.6
185.16528	0.5
197.12920	1.1
214.18678	0.4
217.13353	1.1
229.12035	0.5
229.15465	5.2
238.43053	0.4
245.12981	1.0
263.13907	1.2
264.14102	0.4
278.28387	2.5
279.17017	0.5
294.27942	7.8
295.28278	0.8
296.29422	6.6
312.28967	15.8
313.29355	1.0
314.30487	2.1
330.30179	2.7
340.28479	4.0
358.25729	0.7
358.29507	18.7
358.33960	0.9
359.29907	2.5
362.82977	0.4
376.30554	100.0
377.30927	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97731	0.3
53.03958	0.3
53.17027	0.3
53.23104	0.3
55.05518	1.6
56.05036	0.9
57.03444	2.7
57.05816	0.4
57.07058	0.3
57.56995	0.3
58.06609	0.6
58.10637	0.3
67.05511	3.7
69.03429	0.3
69.07075	2.0
69.24938	1.0
69.25359	1.0
70.06602	3.8
71.05004	2.6
71.07368	0.6
72.08157	100.0
73.08498	1.9
79.05495	2.8
81.07061	8.2
83.05005	0.5
83.08608	1.2
83.58372	0.3
84.08151	1.2
85.06554	0.9
86.09710	6.7
86.67746	0.3
91.05472	1.6
93.07062	2.8
95.04967	0.4
95.08613	5.6
96.08130	0.7
97.06546	2.0
97.10181	0.6
98.09716	0.4
99.04455	0.3
99.08108	0.4
100.07635	0.4
102.09187	0.7
105.07042	1.5
107.08595	1.6
109.10147	0.8
110.09640	0.4
111.08093	0.6
113.91203	0.3
116.07112	1.9
119.08584	1.0
120.08119	3.3
121.10149	1.3
123.11708	0.8
124.11248	3.5
131.08540	0.5
133.10147	1.1
135.11693	0.9
137.13266	0.7
144.10179	0.4
145.10139	0.5
147.11723	1.0
163.04016	0.3
165.12906	0.3
176.22701	0.2
233.16530	0.8
235.10854	0.5
312.25354	0.6
340.24789	0.4
340.28503	2.8
358.29550	16.6
359.29767	1.2
376.30597	65.0
377.26480	0.5
377.30939	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01873	0.3
55.05519	1.4
56.05035	0.6
56.98648	0.2
57.03443	2.6
57.05807	0.4
57.07081	0.3
58.06603	1.9
61.43432	0.2
65.03926	0.2
67.05508	6.3
69.07076	1.9
69.85846	0.3
69.86221	0.3
70.06235	0.1
70.06593	3.0
71.04991	2.3
71.07366	0.8
72.08156	100.0
73.07877	0.2
73.08489	1.5
74.06056	0.2
79.05494	2.9
81.07058	9.5
82.06583	0.2
82.07382	0.2
83.04978	0.7
83.08607	0.9
84.08156	0.8
85.06544	0.9
86.09711	1.9
91.05487	1.6
93.07049	3.2
95.04978	0.5
95.08607	6.9
96.08134	0.5
97.06538	1.7
97.10179	0.2
98.22699	0.2
99.04443	0.3
99.08074	0.3
100.07601	0.4
101.08424	0.2
102.09181	0.4
105.07030	1.3
107.08584	1.2
109.06493	0.2
109.08900	0.3
109.10168	1.0
110.09686	0.5
111.08108	0.4
116.07105	0.9
119.08595	1.1
120.02713	0.2
120.08110	1.4
121.10142	1.0
122.09622	0.2
123.11713	0.6
124.11235	3.0
131.08572	0.5
133.10123	0.5
135.11708	0.6
137.09598	0.2
145.10121	0.4
147.11681	0.7
154.37453	0.2
159.11722	0.2
165.12659	0.2
173.13292	0.2
175.14827	0.3
227.94884	0.2
248.90637	0.2
277.21756	0.2
340.28445	2.4
341.28616	0.2
358.25983	0.6
358.29510	17.6
359.25687	0.2
359.29730	1.7
376.30573	69.0
377.30896	6.1
377.35760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.4
55.05507	3.5
57.07072	8.0
67.05507	9.6
69.03428	2.1
69.07064	13.3
71.08636	34.3
71.31283	2.3
72.08153	6.7
78.14272	1.5
79.05493	6.2
81.07056	15.0
83.08643	2.4
85.06561	2.8
86.09706	17.3
88.11269	100.0
89.11621	2.8
91.05474	9.5
93.07060	11.1
95.04964	26.1
95.08610	15.6
97.06522	3.8
99.08094	5.4
102.09190	3.6
105.07006	10.7
107.08609	10.5
109.06517	18.7
109.10158	7.8
114.09199	2.2
117.06997	4.9
119.08598	6.6
121.06494	2.3
121.10136	4.8
131.08577	6.9
133.10162	8.3
135.08109	2.9
135.11664	2.4
145.10085	2.8
147.11726	2.9
149.13263	3.2
156.13857	6.4
157.10210	3.0
159.11723	2.2
163.11163	2.0
163.14838	2.5
165.12750	71.1
166.13091	3.1
170.15398	3.6
173.13246	5.7
184.13333	4.0
184.16908	2.1
187.14763	1.9
191.14317	7.0
201.12772	4.7
215.14214	2.1
224.20154	9.6
229.19353	2.5
230.04762	2.0
254.21135	3.7
262.21622	4.5
271.20535	6.8
278.24707	19.9
289.21564	8.4
302.18707	2.2
320.25824	2.7
358.27396	4.7
376.27515	5.3
376.32077	39.6
376.36978	10.9
377.32565	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	377.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	3.3
56.96569	14.3
61.02929	3.4
64.95564	8.5
66.92385	2.9
69.03435	9.7
69.06501	26.3
70.06599	11.9
72.08148	3.5
78.03460	9.6
80.05029	6.6
81.03409	3.2
84.08141	7.3
85.02908	21.1
86.09716	14.5
97.02898	14.5
97.45383	3.0
98.97612	4.0
106.00628	3.2
106.02904	27.7
108.04490	25.1
109.02823	4.3
120.08126	22.0
121.08436	3.8
125.02342	73.3
134.02379	98.1
145.04961	5.5
152.03448	6.4
153.01843	30.3
160.10236	3.3
162.01854	52.2
180.02924	100.0
181.03305	4.3
198.03940	17.4
222.04445	7.5
225.07841	3.9
231.07616	6.6
240.05495	8.9
248.04457	4.0
265.17273	3.3
297.06360	3.7
377.10638	7.7
383.07544	3.0
395.12280	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	377.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01870	4.0
56.05027	1.4
56.96561	1.8
57.03429	4.7
61.02928	8.8
67.61974	1.1
69.03433	20.3
70.06590	7.8
71.04987	2.0
71.09648	1.5
72.08161	6.9
73.02907	3.0
74.06097	3.0
81.03426	8.3
83.01340	17.5
84.04500	2.3
84.08147	4.1
85.02906	100.0
86.03307	1.2
86.09721	3.8
86.35244	1.2
87.04467	1.5
91.03968	5.8
91.95747	1.0
97.02901	40.2
98.97601	3.1
99.04459	3.8
101.02293	1.1
105.86677	1.2
109.02877	9.8
110.47430	1.0
110.97581	1.6
115.03943	1.1
115.08770	1.2
116.07113	4.9
124.03896	1.4
125.02374	6.6
127.03917	27.7
129.10199	2.7
139.03900	3.0
141.55089	1.1
143.03400	49.6
145.04958	44.6
145.06122	1.8
154.93291	1.3
155.03409	2.7
163.06056	4.5
171.02890	17.9
172.94391	1.1
180.02919	9.7
181.04979	2.7
198.03963	26.0
214.95476	3.2
232.96478	5.4
250.97504	1.9
256.96555	1.3
274.97577	2.1
286.97662	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	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.96469	0.4
55.01862	0.9
55.05502	2.1
56.05023	0.6
57.03411	0.5
58.06593	1.2
58.71851	0.5
60.41567	0.5
62.06074	1.6
65.03929	0.8
67.05505	2.4
69.03419	1.6
69.07066	3.2
70.06591	2.5
71.04979	0.8
71.30139	0.6
72.08158	4.4
73.08460	0.5
78.51344	0.4
79.05493	2.6
81.03386	0.5
81.07062	3.5
83.04977	0.8
83.08605	0.5
84.08135	1.5
85.06517	0.5
86.09694	0.6
91.05480	6.1
93.03896	0.5
93.07043	2.6
95.04964	1.4
95.08593	1.9
99.04419	0.6
103.05441	1.2
104.76079	0.4
105.03404	0.6
105.07032	3.2
107.04935	1.4
107.05717	0.5
107.08597	1.5
109.02872	0.6
109.06509	0.7
109.10165	0.9
110.09699	0.6
111.08075	0.6
115.05452	9.3
116.06295	0.4
116.53699	0.6
117.07011	7.3
119.04897	1.4
119.08569	1.5
120.08115	0.9
121.06501	1.2
121.10136	1.1
123.04431	0.5
125.06015	0.7
128.06216	4.1
128.10677	0.6
129.07018	4.4
131.04922	2.0
131.08527	2.2
133.06488	1.9
133.10051	0.5
135.04427	0.6
135.08029	0.8
135.11629	0.5
141.06967	2.5
142.07851	1.0
143.04887	1.8
143.08575	2.4
144.05730	3.4
145.06505	6.5
147.04451	0.9
147.08028	0.9
152.06136	0.6
153.05431	0.9
153.06979	1.9
154.07774	1.5
155.06039	1.0
155.08546	3.6
156.09381	0.6
157.06477	1.9
157.10126	1.8
158.07211	0.7
159.04504	3.1
159.08047	2.0
159.11688	0.6
161.05989	3.6
161.13220	0.5
163.03867	0.6
165.07008	2.0
167.08548	2.0
168.09346	1.7
169.06468	3.2
169.10072	1.4
171.04387	3.0
171.08046	1.9
171.11699	0.8
172.05193	2.8
173.05984	9.0
175.03909	0.6
175.07530	0.6
178.07816	2.3
179.08551	1.1
180.09302	1.1
181.06447	1.8
181.10037	1.0
182.07234	1.6
183.08034	2.2
183.11699	3.0
184.08917	0.6
185.05942	1.3
185.09584	2.9
187.03877	3.2
187.07538	5.1
187.11102	0.5
188.04674	0.6
189.05452	13.2
191.07066	0.5
193.10214	3.2
194.10397	0.5
195.08037	0.7
195.11633	1.0
196.08888	2.4
197.05902	2.8
197.09579	1.9
198.10336	0.6
199.07582	2.3
199.11226	0.5
201.05540	1.0
205.04965	6.2
206.05247	0.5
206.07207	0.7
209.05986	2.2
210.06528	0.5
211.07658	2.3
211.11185	10.2
212.11659	0.6
213.05521	1.1
213.09100	2.1
213.12720	2.2
215.03540	1.0
215.07027	3.2
215.10760	0.5
217.04961	37.8
218.05305	1.8
221.09586	3.7
223.11208	0.9
224.08327	0.6
225.09076	0.9
229.04932	1.9
229.08585	0.8
229.12302	0.8
233.04448	8.3
235.06021	0.6
239.10667	23.1
240.11057	1.6
241.05040	0.8
241.12190	6.9
242.12453	0.8
243.06525	4.9
245.04449	10.8
249.09129	2.0
255.06570	1.0
257.11710	12.6
258.12051	0.8
261.03940	20.4
262.04337	1.1
263.05508	3.7
267.10150	13.0
268.10471	1.1
269.11618	0.8
271.09457	0.6
279.04929	1.4
285.11206	100.0
286.11523	7.1
287.12769	0.8
295.09650	13.4
296.10065	0.7
313.10687	12.7
314.11105	0.9
323.09125	0.7
331.11719	11.3
332.12210	0.8
341.10110	2.6
359.11197	4.1
359.23996	1.0
360.25360	1.8
376.24615	1.7
376.30444	3.1
377.25079	3.8
377.30701	2.5
378.26462	3.1
378.30597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
53.46818	1.1
55.01864	1.2
55.05504	4.8
57.03431	5.0
58.06589	3.8
67.05495	2.8
68.46710	1.2
69.03080	2.1
69.03429	23.7
69.07064	3.6
69.40373	1.0
70.06594	23.6
71.05006	8.3
71.06923	3.1
71.08624	5.4
71.29813	1.8
72.08157	48.7
73.08501	8.6
75.26463	1.1
79.05492	3.1
81.03419	31.7
81.03913	1.7
81.07056	5.7
83.04974	1.9
84.08141	1.8
85.02907	56.2
85.06557	1.5
86.03214	1.5
86.09714	12.6
87.22536	1.3
91.05469	5.3
93.07030	4.7
95.04955	2.6
95.08600	4.6
96.08105	2.1
97.02911	6.2
97.06532	1.6
99.04456	33.6
103.03943	58.0
105.02174	1.2
105.07022	3.2
106.65296	1.1
107.07443	1.3
107.08585	4.3
109.02884	24.2
109.06523	1.2
110.09718	1.7
119.08582	3.2
120.08098	13.9
121.06450	1.5
121.08421	2.0
121.10137	2.2
127.03915	100.0
128.04239	3.4
131.08582	3.2
133.10135	4.8
139.33708	1.2
143.08585	1.8
145.04988	10.6
145.10135	2.0
147.11716	1.6
149.09593	1.8
153.05521	1.7
160.00630	1.3
173.13242	3.5
185.16519	3.8
187.06047	8.0
191.14301	3.2
215.14326	1.8
218.13536	1.4
219.14911	2.3
229.15468	1.9
230.15813	2.1
244.09444	1.4
253.07191	2.9
257.10336	3.1
271.07986	1.8
298.04333	1.4
316.22726	4.4
358.29404	2.5
359.30264	6.0
359.33798	1.5
376.30627	5.7
377.19257	1.9
377.26395	1.8
377.30975	22.8
378.22751	22.9
378.26968	2.2
378.30835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
55.01872	1.2
55.05510	3.0
57.07078	100.0
57.23914	0.7
58.07417	1.5
67.05515	1.9
69.00623	8.1
69.07066	6.7
70.06593	0.8
71.08633	85.9
72.08157	2.4
72.08970	1.4
73.02926	0.7
73.06563	2.2
79.05510	1.0
81.07066	2.6
83.08621	3.3
85.10184	51.0
87.04477	1.3
89.06032	98.0
90.06377	1.7
93.07061	1.8
95.04984	1.7
95.08603	1.9
97.10143	2.7
99.11731	7.0
105.07017	1.8
107.07072	7.5
107.08622	1.4
109.10118	1.2
111.11732	2.6
111.26510	0.8
113.13273	4.6
119.01610	1.8
125.13281	1.0
127.14828	2.8
130.08650	2.2
133.08601	40.7
135.11655	0.7
137.05978	2.4
145.10123	1.0
151.09637	6.5
177.11221	7.3
180.68956	0.7
195.12279	33.6
196.12674	1.4
209.13245	1.1
229.12323	0.8
277.17648	1.2
377.24738	4.1
377.32376	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	378.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05030	0.3
58.06590	1.2
67.05501	0.7
69.03419	0.3
69.07063	0.6
69.09598	0.7
69.10000	2.4
70.06595	2.7
71.04997	0.3
72.08161	5.4
79.05477	0.5
81.03410	0.3
81.07046	0.8
82.06581	0.5
84.08133	1.1
86.09706	16.2
87.10017	0.5
91.05491	2.0
93.07042	1.4
94.06557	0.6
95.04953	1.0
95.08597	1.0
96.08127	0.8
97.06527	0.5
103.05468	2.6
105.03378	0.6
105.07044	0.8
106.16926	0.3
108.08115	0.5
109.06586	0.3
109.10171	0.4
110.09745	0.3
111.08080	0.4
115.05422	0.4
116.07120	0.4
117.07076	0.4
120.08104	100.0
121.08454	3.1
122.09702	0.9
125.05943	0.4
127.09940	0.9
128.10718	5.8
136.73943	0.3
140.10719	0.9
152.07132	0.5
153.05466	1.3
156.10191	1.2
171.11823	0.3
195.11838	0.4
223.10773	16.6
224.11095	0.4
240.11075	0.5
261.04050	1.2
262.04260	1.7
268.10498	0.4
286.11517	0.9
330.20496	0.4
342.24304	0.4
344.22318	0.7
360.11374	0.5
360.25244	3.9
360.29126	0.7
361.25494	0.6
378.26331	14.7
378.30081	1.0
379.20993	0.5
379.26788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2276
Annotation	Isariotin E
Peak:m/z	Relative Intensity
53.03930	0.5
55.05510	2.8
56.05030	0.7
58.06580	1.1
65.86606	0.4
67.05505	3.8
67.64451	0.4
68.05021	1.5
69.03416	0.7
69.07072	3.5
70.06597	5.3
72.08158	5.9
73.08474	0.4
79.05065	0.5
79.05493	6.3
80.05003	0.8
81.03406	1.6
81.05794	0.6
81.07059	5.7
82.06586	2.4
82.07449	0.4
83.08575	0.7
84.08136	1.4
86.09710	3.8
91.05477	4.2
93.07049	5.7
94.06567	3.1
95.04962	2.2
95.07370	0.6
95.08603	3.3
96.08131	8.3
97.02905	0.4
98.09646	0.4
103.05482	0.6
105.07035	3.4
107.04961	0.9
107.07368	2.6
107.08588	3.5
108.08105	4.0
109.06499	1.4
109.08888	1.4
109.10146	1.0
110.09730	2.0
111.04394	0.5
111.08112	0.4
112.53844	0.4
117.07004	1.1
119.08584	1.7
120.08111	6.8
121.06496	0.7
121.10137	1.2
122.09666	2.6
123.04436	1.0
123.10446	0.5
124.11201	0.6
129.06989	0.7
131.08580	0.9
133.10138	0.6
134.09627	0.9
135.08089	0.4
135.11760	0.5
143.08524	0.5
145.10045	0.7
147.11664	0.5
149.05981	0.7
153.05469	0.6
157.10165	0.5
159.11649	0.8
165.09038	0.4
183.78195	0.4
185.16537	1.7
206.19107	0.5
213.15865	0.7
219.14912	1.7
246.14938	1.6
247.14404	0.7
248.16467	1.9
260.23663	0.7
274.18124	0.5
274.21765	0.5
288.23215	1.4
292.92749	0.5
298.21631	1.5
306.24268	1.0
314.21048	3.9
316.22696	21.7
317.22958	1.4
334.23727	4.7
360.21655	7.5
360.25455	1.0
361.22150	0.4
378.22726	100.0
379.08398	0.5
379.23102	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	378.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05507	2.6
56.05025	1.4
57.03425	1.4
57.05815	0.4
58.06603	1.3
61.86543	0.4
67.05503	4.6
69.07067	11.2
70.06587	6.0
71.04993	1.0
72.08152	6.3
73.08492	0.6
74.06081	1.4
79.05498	3.5
81.07059	8.0
82.06596	0.4
83.08617	1.0
84.08141	1.2
85.02945	0.6
85.06533	0.5
86.09704	84.9
87.10053	1.7
91.05474	2.4
93.07040	5.7
95.04914	0.5
95.08601	5.9
97.06535	1.5
97.10167	0.7
103.05463	2.3
105.07024	2.1
107.08569	2.4
109.10163	2.0
110.07151	0.7
111.08078	0.6
117.06982	0.7
118.08676	1.8
119.08590	1.5
120.08102	100.0
121.08438	3.2
121.10114	3.1
129.10210	0.6
131.08501	0.6
133.10161	1.0
135.11699	2.5
147.11650	0.6
149.13286	0.8
173.13177	0.6
196.25725	0.4
219.14888	1.2
233.16484	37.6
234.16872	1.9
243.08711	0.8
261.15994	12.7
262.16470	0.6
265.15485	16.4
266.15823	0.7
289.25229	0.6
306.27716	0.8
324.28943	3.7
342.29956	4.5
351.08710	0.7
360.31052	13.3
361.31366	1.2
378.32080	12.0
379.08063	1.0
379.21231	0.7
379.32324	0.5
383.35397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.4
56.05042	0.9
57.05824	1.1
58.06593	1.8
58.63327	0.5
67.05515	1.3
69.03459	0.6
69.07072	1.6
70.06586	5.4
70.61395	1.1
71.41223	0.6
72.08154	100.0
73.08471	2.5
79.05484	1.0
81.07053	1.4
81.74487	0.6
84.08176	0.7
86.09704	87.7
87.10040	1.8
91.05479	2.9
93.07041	1.7
95.04971	1.0
95.08612	1.3
103.05452	2.7
109.10134	0.8
110.07178	0.7
116.07174	0.7
117.06973	0.6
120.08102	89.3
121.08450	3.3
132.10204	1.4
135.04411	0.6
140.37863	0.5
157.17084	0.7
166.08630	5.5
174.47585	0.6
185.16490	55.6
186.16808	1.9
194.51494	0.6
200.12761	0.8
200.73973	0.6
213.15990	18.6
214.16258	1.1
216.12117	0.9
217.04747	1.1
219.14911	22.7
220.15198	1.3
233.16440	2.7
247.14432	8.1
265.15479	4.0
279.17047	7.6
306.21042	0.6
332.04547	0.8
378.22568	0.7
378.31784	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91377	0.5
55.05509	7.4
56.05023	1.2
57.05811	0.6
58.06592	2.5
60.05632	0.7
65.74139	0.5
67.05500	1.8
69.07076	1.2
70.06596	5.3
70.76113	0.5
70.76453	1.3
72.08155	100.0
73.00588	0.6
73.08495	1.7
74.06113	0.7
76.31499	0.6
79.05493	1.4
80.05022	0.7
81.07060	1.5
84.08149	2.1
86.09722	2.3
91.05482	2.3
93.07043	1.6
95.04980	1.1
95.08636	2.2
96.08125	0.7
99.04467	0.6
103.05482	1.5
105.07041	1.4
107.08612	1.1
111.50956	0.6
114.09197	1.0
116.07088	0.7
117.07091	0.8
119.08492	1.0
120.08107	46.2
121.06521	2.1
121.08462	1.4
121.10130	7.7
129.06973	0.6
129.10205	1.1
131.04898	0.7
133.10153	0.7
153.05443	0.9
163.07509	1.1
171.14926	30.4
172.15311	1.1
180.10197	30.8
181.10466	1.8
181.12254	2.0
183.05865	0.6
199.14444	14.3
218.05327	0.9
219.14922	1.8
232.14111	0.6
240.11066	0.9
269.11966	0.6
279.17023	3.5
285.11249	0.9
286.11505	3.9
296.10059	0.7
314.11133	0.8
316.22659	0.9
360.11926	0.8
360.25400	2.9
368.78964	0.7
378.15289	0.8
378.21909	3.5
378.26807	8.1
378.31155	1.2
379.08270	0.6
379.20837	1.6
379.26895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2639
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
53.03941	1.7
55.01877	1.5
55.05517	2.9
56.05029	3.1
57.03424	4.7
58.06599	100.0
67.05496	8.8
69.07064	2.5
69.38351	7.9
70.06586	12.4
72.08152	38.1
79.05498	8.1
81.03403	1.9
81.07049	22.6
82.06600	1.8
84.08140	6.5
85.08926	2.5
86.09701	4.1
91.05480	43.4
92.05831	1.9
93.07039	9.6
95.04980	3.6
95.08593	14.1
96.08105	2.0
97.06550	2.5
98.09715	6.3
100.11232	2.2
102.75276	1.3
105.03393	18.8
105.07021	15.9
107.04939	2.2
107.08551	3.8
108.08136	2.8
109.10169	2.7
110.09670	10.5
111.08070	2.7
115.05490	1.6
117.06998	19.9
117.65961	1.2
119.08566	4.1
120.08075	3.2
121.10195	1.4
123.08083	2.0
124.11209	3.0
128.10745	2.5
129.07024	7.8
131.08575	5.6
133.10115	2.2
141.06979	10.7
143.08553	4.4
145.10168	1.5
147.08122	1.7
153.05466	3.6
155.08527	1.7
157.10158	4.3
159.11670	2.4
161.09576	1.2
171.11705	4.5
173.09662	1.6
183.11710	5.7
185.97707	1.6
192.14952	1.7
201.12784	1.4
213.09061	1.8
241.08549	4.3
312.28625	1.4
342.24258	4.5
342.27899	30.9
343.28146	2.1
351.23898	2.3
360.25189	36.4
360.29010	52.0
361.25436	2.9
361.29373	3.8
378.26114	32.9
378.30057	88.8
379.12772	1.6
379.26270	2.2
379.30826	6.5
391.02795	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	378.3001
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.05515	0.9
57.03440	13.0
62.06088	75.3
63.06425	0.8
67.05499	2.2
69.07073	1.4
69.79622	1.5
69.80029	2.7
72.07752	1.4
72.08155	28.7
74.06380	0.6
75.04484	0.7
79.05492	2.1
81.07063	7.6
85.75088	0.7
91.05478	34.9
92.05804	1.5
93.07046	1.2
93.35067	0.6
95.04986	0.9
95.08598	1.6
97.10164	0.8
99.08089	1.2
105.07026	4.5
107.04941	1.6
113.91993	0.6
115.05420	0.9
117.07014	28.1
118.07355	1.0
119.08610	1.2
121.06490	2.0
121.23766	0.7
124.11226	0.9
125.09625	0.6
128.06215	1.4
129.07013	9.5
131.08575	5.9
143.08557	11.7
144.08881	0.7
145.10139	0.7
157.10133	1.8
171.11623	0.9
175.32146	1.2
185.13240	8.8
186.13403	0.9
200.58263	0.7
203.14308	2.3
299.23779	1.3
353.47079	0.9
360.29019	5.2
378.29993	100.0
379.30341	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	378.3005
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.45927	1.0
55.05513	2.0
56.05018	1.2
57.03433	2.0
61.47149	1.0
67.05487	2.2
69.07066	1.7
70.06580	2.8
71.04981	1.0
71.11719	2.2
72.08159	100.0
73.08495	1.7
79.05479	1.9
80.94861	1.3
81.07077	5.1
82.06606	1.0
84.08140	2.9
86.09716	2.3
90.91396	1.0
91.05482	33.1
92.05824	1.2
93.07075	1.1
95.04953	1.8
95.08611	3.9
95.89182	0.9
96.08123	1.2
96.37271	1.0
97.06509	2.7
102.09180	11.5
102.86817	1.1
103.09551	1.1
105.07027	3.7
107.08524	1.3
109.06511	1.5
115.05481	1.1
117.03065	0.9
117.07013	15.3
124.11248	5.8
129.06979	5.6
131.08565	5.9
143.08604	6.3
157.10191	2.9
168.01024	1.1
185.13306	2.7
188.08345	1.1
194.73259	1.1
238.88773	1.3
252.75815	1.1
262.73474	1.0
297.22238	2.0
314.80728	1.2
342.27914	11.2
343.28088	1.5
351.30728	1.2
360.28976	35.6
361.29568	2.2
378.30029	73.8
379.30328	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	378.3004
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.03932	0.9
55.01864	1.6
55.05501	2.7
56.05024	0.9
57.03431	4.7
57.07072	0.5
58.06598	14.5
60.97359	0.5
65.03918	1.9
65.93087	0.5
67.05499	8.4
69.03426	0.8
69.07056	2.2
69.49701	1.7
69.50110	0.9
70.06590	6.1
71.04982	1.1
71.07355	0.5
72.08151	37.3
73.08515	0.8
77.03919	0.6
79.05489	8.7
81.07053	28.9
82.07379	0.5
83.04961	0.7
83.08624	0.7
84.08144	8.4
85.06530	0.9
85.08919	5.1
86.09703	2.2
91.05476	45.7
92.05814	1.0
92.28043	0.5
93.07031	4.1
95.04968	1.4
95.06065	0.5
95.08600	21.6
96.08102	1.0
96.08935	0.8
97.06516	2.0
97.10211	0.7
97.53914	0.5
98.09679	6.9
105.03374	2.1
105.07030	5.6
106.03699	0.6
107.04950	1.6
107.08595	1.7
108.07430	0.6
108.08068	1.0
109.06557	0.6
109.10113	1.7
110.09721	1.2
111.08094	1.1
114.09173	0.7
115.05479	4.2
117.07014	29.3
119.08576	1.8
121.10162	1.3
123.08031	1.1
124.11218	2.2
126.12843	0.5
128.06186	1.0
129.07014	7.6
131.08565	8.3
133.06444	0.5
133.10123	1.0
135.11696	0.8
138.12233	0.5
141.06979	17.0
142.07370	0.6
143.08543	3.9
145.10100	1.5
149.13293	0.5
155.08559	3.9
157.10123	5.9
168.09311	0.7
169.10095	1.1
171.11661	1.0
173.13097	0.8
181.10086	2.0
183.11697	7.3
187.11105	0.8
195.11624	0.7
196.16959	2.5
197.13332	1.0
201.12781	0.5
209.13367	0.6
223.14841	0.8
279.21094	1.0
297.22165	2.0
342.27893	48.1
343.28268	5.5
360.25482	4.4
360.28955	78.9
361.29315	7.5
378.30075	100.0
379.30441	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	378.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	1.2
50.47441	1.2
55.05515	3.1
55.68361	1.1
56.05043	2.5
57.03438	1.8
58.06604	19.7
67.05508	8.4
69.07069	3.3
70.06592	6.2
71.04988	2.0
71.07374	1.7
71.28703	1.9
72.08158	75.8
79.05495	6.2
81.07059	9.7
83.58841	1.3
84.08148	2.4
85.06543	1.6
86.09708	3.8
88.07617	2.3
91.05478	2.9
93.07057	4.6
95.08614	10.1
97.10178	1.4
107.08578	3.4
108.08125	5.2
109.10156	2.0
112.68579	1.2
119.08578	2.7
120.17464	1.2
121.10149	2.8
128.10747	2.0
132.90587	1.1
142.59845	1.1
147.11768	1.3
209.80022	1.2
324.28882	3.3
342.26361	3.5
342.30087	4.0
360.27435	32.8
360.31241	13.2
361.27789	3.3
361.31747	1.8
378.28232	4.5
378.32187	100.0
379.32550	10.5
388.55902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05511	7.0
56.05037	1.5
57.03440	6.7
58.06605	4.9
62.06092	25.1
64.62843	0.8
67.05511	22.2
69.07073	3.6
69.67411	1.3
69.67805	1.9
70.06595	3.9
71.07355	1.0
72.08158	66.1
73.08481	2.0
77.25542	0.7
79.05496	14.7
80.01380	0.8
81.07062	24.1
83.08630	1.8
84.08154	6.3
85.08937	3.4
86.09727	1.4
88.20249	0.6
91.05484	22.7
92.05819	0.8
93.07037	10.8
95.04976	1.7
95.08605	14.8
97.06547	1.2
97.10158	0.8
98.09693	6.7
105.04600	1.0
105.07027	6.6
107.08617	5.0
109.10168	3.5
117.07033	11.7
119.08591	3.2
121.10147	3.7
124.11263	1.2
129.06979	5.7
131.08568	2.8
133.10139	2.2
135.11723	2.3
140.14415	1.3
143.08542	5.0
145.10141	1.7
147.11723	1.0
157.10181	1.5
171.11780	0.9
177.16406	1.0
184.23853	0.7
185.13216	3.1
196.17001	1.7
203.14290	0.9
232.76639	0.7
360.28925	4.2
360.32632	49.9
361.32843	3.5
378.29813	34.3
378.33698	100.0
379.30136	2.6
379.34286	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69694	0.6
58.32309	0.7
58.52631	0.6
70.06585	2.1
70.84443	1.5
72.08151	2.0
75.83759	0.6
84.08147	0.9
89.47617	0.6
93.84060	0.6
120.08105	2.0
129.10275	0.8
183.19324	0.6
185.04147	3.3
217.04651	1.6
237.82739	0.6
244.35899	0.7
245.70027	0.7
294.11145	0.7
379.09995	100.0
380.10339	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48386	1.6
54.89264	1.9
58.06584	2.3
62.41776	1.6
70.06594	5.6
70.40854	4.9
72.08158	2.6
84.08150	4.0
120.08110	4.1
121.99758	1.9
136.07466	1.9
167.83080	2.1
217.04749	2.8
232.31659	2.3
372.94354	2.2
378.28427	2.9
379.10007	100.0
380.10309	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	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42137	0.6
55.01877	0.8
55.05512	10.2
56.05042	1.8
58.54393	0.6
67.82578	0.7
69.44598	3.7
70.02951	2.6
70.06583	4.5
72.08157	100.0
73.08485	1.8
81.07043	0.9
82.06152	1.1
82.06581	6.4
83.06108	2.1
84.04511	2.6
84.08157	2.3
85.04031	1.3
86.09705	6.9
87.05592	8.2
88.03996	2.5
91.05485	2.2
93.07025	0.7
94.06577	0.8
95.08617	0.8
96.07630	0.7
96.08131	4.0
98.02411	9.3
98.09686	1.0
99.09209	4.2
103.05479	2.5
104.07123	1.8
107.04907	0.7
109.02821	0.7
109.06516	0.7
110.02427	3.3
114.09184	8.8
115.05068	1.6
119.04941	0.7
120.08109	58.8
121.02872	4.0
121.08417	2.2
124.07605	5.3
127.03976	1.0
127.08676	22.7
129.10243	19.7
130.06537	1.6
131.04964	1.6
141.10233	26.0
146.06023	3.0
149.06017	1.7
152.07036	4.9
157.09721	4.7
159.04457	0.7
161.39227	0.7
164.07050	0.8
166.08641	14.0
169.09732	15.3
177.10269	4.1
185.04288	1.1
186.12383	78.3
187.03934	2.2
187.12744	2.3
189.01808	0.9
190.02716	1.3
191.03464	0.8
204.04436	0.8
204.06537	1.5
205.05025	1.2
214.11861	20.1
214.13914	1.2
215.03378	1.0
215.12064	1.1
217.04733	2.9
217.09695	1.4
217.15532	0.8
223.10765	10.8
230.12914	1.5
231.11276	1.5
233.04472	1.2
233.16498	1.9
234.12421	1.1
244.09442	1.2
245.09390	1.1
251.06728	0.7
258.12231	0.9
259.16443	4.0
262.11945	1.5
262.52625	0.7
265.15488	1.7
275.13766	1.1
279.06570	1.2
293.08090	1.7
295.06055	1.5
295.16504	0.7
299.14032	1.1
303.13467	1.5
307.05872	4.9
308.06744	5.1
309.07190	0.8
316.16354	0.8
321.07672	2.2
322.08228	4.2
323.09174	1.9
333.07678	2.0
336.06274	1.8
345.14380	3.4
351.08548	11.5
352.09033	1.0
361.18732	2.8
379.08096	29.1
379.15442	1.3
380.08508	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	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.7
56.05030	2.2
57.05848	0.6
58.06598	0.6
60.05653	0.6
61.00919	0.6
65.24887	0.5
67.61438	0.6
69.47755	2.4
69.48171	1.3
70.02950	2.5
70.06595	5.4
72.08157	100.0
73.08495	1.9
74.06085	0.6
77.14690	0.6
79.05485	1.1
81.07065	1.3
82.06589	4.6
83.05022	0.9
83.06107	4.4
84.04501	2.9
84.08135	4.1
85.02911	1.0
85.04023	1.5
86.09708	12.5
87.05589	8.9
88.03984	2.4
91.05492	3.0
93.07029	1.4
94.06578	0.8
96.08125	5.5
98.02421	8.2
98.09698	1.2
99.09222	3.6
103.05463	3.6
104.07101	4.0
107.04956	0.9
110.02409	2.6
110.07140	1.2
112.08730	1.0
114.09171	19.8
116.07143	1.2
118.08639	0.7
119.04965	1.3
120.08111	73.1
121.02881	5.3
121.08457	3.1
124.03905	0.6
124.07603	5.1
127.08685	17.9
129.10248	23.4
130.06516	1.8
131.04913	1.7
133.03954	0.6
141.10233	20.0
144.06604	0.6
145.02867	1.0
146.06030	2.1
149.05969	1.2
150.09154	1.3
152.07065	3.9
157.09764	6.4
159.04491	1.1
163.04063	0.6
166.08643	17.9
166.10065	0.9
167.09015	0.9
169.09720	12.7
172.07454	0.7
173.09221	1.0
175.08694	1.1
177.01852	0.8
177.05417	1.0
177.10237	6.1
185.04245	3.0
186.12384	67.0
187.03897	1.6
187.12685	2.3
189.01880	1.5
190.02568	2.2
198.07681	0.7
203.03439	0.8
204.06622	1.3
205.04959	1.2
214.11856	16.2
215.03452	1.5
217.04729	7.9
217.09727	2.6
217.15445	2.7
218.04840	1.0
223.10788	14.2
230.12846	1.7
231.11293	2.3
232.12819	0.7
233.04410	1.6
233.16536	1.9
234.12343	1.8
244.09334	1.3
245.09282	0.8
252.07672	0.9
258.12384	1.4
259.14310	0.7
259.16586	7.8
261.15833	0.9
262.11816	2.3
265.15424	2.2
275.13892	1.0
279.06467	2.0
293.07980	2.9
294.08508	1.2
295.05896	2.8
295.09256	1.3
295.16458	1.4
303.13361	1.7
305.07834	0.7
307.05981	5.5
308.06775	7.0
309.07401	1.0
316.16364	2.1
321.07468	2.5
322.08316	4.9
323.09149	3.1
333.07379	1.5
336.06113	2.6
337.06821	0.9
345.14267	2.7
351.08664	16.0
352.08804	1.7
361.06702	1.0
361.18881	3.5
362.17307	0.7
379.08041	35.1
379.15442	1.7
379.20450	1.1
379.28583	1.1
380.08426	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	379.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05510	10.7
57.07075	28.0
57.12315	1.1
59.05001	2.3
64.73073	1.1
65.03937	1.8
67.05502	11.0
69.07066	44.4
69.67122	6.4
70.06585	1.4
71.05005	3.2
71.08630	16.1
72.08163	6.3
73.06551	3.3
78.04309	1.2
79.05480	10.0
81.07050	20.5
82.88033	1.2
83.04976	3.1
83.08621	5.3
85.06535	7.0
85.10181	12.7
89.06030	50.2
91.05458	10.4
93.07040	26.3
93.71419	1.2
94.07407	1.3
95.04989	1.7
95.08612	10.8
97.06542	4.2
101.09650	21.1
105.07024	9.3
107.07103	2.8
107.08588	32.4
109.06508	8.6
109.10172	6.1
111.08095	4.8
113.00056	1.3
117.07027	1.5
119.08584	8.0
121.06504	2.9
121.10128	12.2
123.08044	7.8
123.11739	2.0
125.09628	4.8
126.14310	1.2
131.08572	4.2
133.08591	20.1
133.10135	4.7
135.08052	28.6
135.11711	4.5
137.05974	7.4
137.09634	2.8
139.07564	8.2
140.16753	1.3
145.10184	3.4
147.11671	3.4
148.99977	1.3
149.09682	4.5
149.13243	9.4
150.06700	1.4
151.07550	2.3
151.09671	2.3
151.14880	1.6
152.08365	5.0
157.10161	2.3
159.11742	2.9
161.09665	2.5
161.13339	1.4
162.88029	1.2
163.14900	1.5
165.09114	25.1
165.12849	1.4
169.87723	1.4
177.11244	3.4
177.12766	8.9
179.10716	1.5
179.14374	6.3
181.15822	10.8
191.14223	5.9
197.11682	1.5
201.14761	1.4
205.15755	1.4
207.13826	1.9
209.15369	18.8
239.12709	1.2
239.14911	4.7
263.20090	7.3
291.19412	2.3
319.26385	3.0
329.24722	2.7
347.25772	100.0
348.26126	11.0
379.28320	28.4
380.28851	3.7
380.35452	1.9
397.64008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.6
55.93016	2.1
57.03429	3.1
57.07068	21.3
59.05017	2.3
61.73467	1.8
62.08733	2.6
62.34474	2.0
65.08319	2.0
67.05508	25.7
69.07063	28.4
71.04985	13.7
71.08631	14.3
71.31583	2.7
72.08155	9.6
79.05482	13.4
81.07051	41.8
83.08612	4.1
85.06522	7.7
85.10184	5.9
89.06025	10.8
91.05482	17.1
93.07037	26.0
95.04971	3.6
95.08604	37.4
97.06514	6.3
97.10145	3.5
98.98460	17.9
101.09635	2.4
105.07018	19.7
106.70522	2.0
107.08579	26.3
109.06527	11.9
109.10166	12.2
111.08067	5.1
117.06992	3.8
119.06045	2.0
119.08563	11.7
121.06445	2.6
121.10132	14.6
123.08069	7.3
123.11725	4.8
124.61213	2.1
125.09623	2.9
129.06984	3.3
131.08551	4.7
133.10136	5.3
135.08040	40.4
135.11693	8.4
137.06029	5.2
137.13269	4.0
139.07515	5.4
145.10117	7.2
147.11632	11.4
149.09631	6.5
149.13252	3.0
151.07573	3.2
152.08347	3.5
155.01070	22.2
155.10475	2.0
157.10106	4.6
159.11720	6.3
161.09673	2.9
161.13268	2.1
165.09120	35.1
165.12770	8.9
171.11696	4.1
173.13242	4.3
177.12691	20.9
179.14278	4.0
181.12131	2.1
183.11655	2.3
183.13794	5.8
191.14339	4.3
195.12317	8.3
197.15381	9.1
201.14890	6.5
209.15335	3.1
215.16287	3.6
233.98645	2.0
243.54559	1.8
263.20053	2.2
305.21155	6.0
323.22150	2.3
329.24777	3.8
347.25787	100.0
348.26074	9.6
363.30893	2.9
379.28775	18.7
380.28384	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	379.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05516	5.1
57.07077	35.8
58.07409	0.8
59.04992	2.0
63.22956	0.7
63.57072	0.5
67.05501	4.1
69.04914	0.7
69.05312	5.5
69.07073	15.7
71.05000	1.3
71.08632	30.2
72.08147	1.1
73.06554	5.6
79.05492	5.8
81.07071	7.0
83.08612	4.8
85.06545	1.9
85.10184	25.2
87.04472	2.0
89.06032	100.0
89.71431	0.6
90.06370	1.2
91.05465	3.3
91.07580	1.3
93.07046	10.9
94.58446	0.7
95.04964	1.1
95.08614	4.3
97.06544	1.4
97.10164	2.1
99.08098	0.8
99.11741	2.1
101.09647	8.3
102.10570	0.7
105.07040	2.9
107.07077	2.8
107.08592	14.0
108.08915	0.8
109.06528	2.4
109.10144	1.7
111.08084	2.0
117.07056	0.7
117.09135	1.7
119.08557	2.3
121.06486	1.2
121.10146	6.0
123.08050	3.9
123.11692	1.1
125.09620	1.8
127.80240	0.5
130.08670	1.5
131.08600	0.8
133.08604	33.1
133.10193	1.4
134.08897	0.8
135.08057	12.8
135.11726	1.6
137.05991	2.2
139.07526	3.8
141.16385	2.0
142.03485	0.6
145.10136	0.8
147.11714	1.8
149.09645	2.0
149.13249	4.0
150.06807	1.4
151.07524	0.7
151.09683	2.4
151.11249	0.8
152.08328	2.9
153.08966	0.6
159.11661	1.1
161.09642	1.0
165.09123	11.0
165.12727	1.4
177.11250	6.2
177.12805	4.1
179.14276	3.1
181.15851	2.9
185.19014	1.4
191.14246	3.3
195.12321	2.0
207.13664	0.7
209.15356	8.2
223.36942	0.6
229.21581	1.3
239.14906	6.4
263.20233	0.9
273.24091	0.6
275.64536	0.7
291.19589	2.1
319.26367	0.9
329.24738	1.4
347.25800	43.5
348.26105	4.5
379.28400	11.7
380.28818	1.2
380.35165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	7.6
61.97262	4.6
62.04387	4.9
67.89434	5.3
68.36343	5.0
69.03406	10.4
70.06602	8.3
71.01756	7.1
71.02111	7.0
79.05482	19.3
79.20892	5.4
81.03425	11.2
81.07049	56.1
84.08134	7.7
85.02903	26.3
91.05479	18.6
95.04963	42.9
96.05254	5.7
109.02876	6.7
109.06517	59.3
119.04964	17.2
120.08106	9.3
127.03814	5.9
137.05972	100.0
139.03928	6.5
147.04416	31.3
165.05486	62.1
183.06532	56.2
218.37019	5.3
225.00220	4.9
247.25046	6.0
334.70621	6.2
344.44540	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.6
58.04710	4.0
58.06594	20.7
67.05496	18.0
69.03445	4.2
70.06593	12.1
71.04989	17.4
71.28336	5.7
72.08159	18.8
79.05491	5.9
81.03411	6.4
81.07030	7.7
83.04979	11.1
84.08125	7.5
84.95968	4.3
85.02914	14.8
86.09694	12.6
91.05473	9.6
93.07039	12.1
95.04968	5.2
95.08592	15.9
103.90932	4.8
109.10181	12.7
111.04456	14.5
119.08617	4.8
120.08085	11.6
120.47628	4.6
123.08068	100.0
137.09630	18.2
155.10687	89.0
165.09174	8.2
183.10196	12.4
187.12549	4.1
192.35255	4.7
234.59477	4.4
265.62601	4.5
296.09616	4.7
380.07959	6.7
380.24332	9.2
380.29901	22.6
381.20969	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	380.2181
Annotation	Ile Thr Phe
Peak:m/z	Relative Intensity
56.05036	4.8
56.31570	0.3
57.03421	0.3
57.05817	0.5
58.06599	2.8
69.07070	11.1
69.39313	1.8
70.06591	2.9
70.07392	0.4
72.08146	0.7
74.06082	29.6
75.06390	0.4
81.07043	0.4
84.04505	1.2
84.08138	1.3
84.96326	0.3
86.06059	0.6
86.09705	100.0
87.10021	2.0
91.05477	0.8
98.23262	0.7
101.07118	0.5
102.05556	0.4
103.05449	0.8
112.08757	0.4
119.04977	1.3
120.08105	25.4
121.08440	1.1
125.10810	1.4
128.10747	0.8
129.10225	1.1
130.04999	0.4
131.04939	0.8
136.07579	8.2
137.05992	2.8
142.12271	11.4
142.13402	0.6
143.12668	0.5
147.04440	0.6
149.05968	0.4
149.28149	0.3
151.07549	0.3
152.10696	3.1
155.04312	0.7
157.13374	2.8
158.09676	0.9
166.08644	16.4
167.09045	0.5
169.13368	1.4
174.36684	0.3
179.07042	3.4
185.12849	2.1
187.14415	27.2
188.14699	0.7
196.09695	9.2
197.10109	0.5
197.12898	1.5
203.11848	0.7
207.11314	0.3
215.13918	22.5
216.14291	1.1
219.06470	0.5
221.12891	1.6
231.11304	0.5
249.12437	2.0
267.13400	21.2
268.13211	1.5
277.11755	1.5
280.03329	0.3
362.20483	1.5
380.08463	0.5
381.15631	0.7
381.21091	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	380.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	20.6
57.03450	1.4
58.06345	1.0
58.06602	9.8
69.07060	1.2
69.17663	4.7
70.06589	2.6
72.08150	1.4
73.04027	1.8
74.06081	38.0
81.07050	0.8
82.06547	0.7
84.04507	15.6
84.08161	0.8
86.06067	2.9
86.09707	60.8
86.77537	0.5
87.05596	1.4
87.10042	1.7
91.05490	3.4
93.07058	1.4
98.09698	2.1
100.07590	1.3
101.07145	38.3
102.05559	1.8
103.05487	4.6
105.07016	2.0
117.05778	0.8
117.07040	1.0
119.07324	2.6
120.08106	87.2
121.08440	3.9
124.11211	1.3
126.09137	1.9
126.12760	3.3
128.10724	0.6
130.06531	1.9
132.08087	2.3
132.10164	1.6
136.07582	1.2
137.06046	0.7
142.12289	11.5
143.07318	1.3
143.08510	0.8
143.11810	7.9
157.13322	1.1
158.09663	9.4
159.10065	0.8
160.07582	1.5
160.11211	2.2
166.08600	6.1
169.13332	1.2
176.10724	12.3
177.10248	3.7
179.07047	1.1
187.14418	100.0
188.14720	2.2
196.09669	1.9
203.11952	1.0
210.78871	0.6
215.13921	20.6
216.14343	0.8
221.12852	71.4
222.13158	3.9
249.12334	12.1
249.99545	0.7
250.12573	1.0
279.17050	7.1
325.25958	0.7
348.86630	0.7
380.13354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05507	4.2
56.05034	2.9
57.03434	3.8
58.06599	2.1
60.04528	3.4
60.89628	0.9
61.02912	2.4
67.05505	3.6
69.03426	7.4
69.07069	5.7
70.06593	27.6
71.04986	2.2
71.06943	1.5
71.18821	1.6
72.08157	15.6
73.02921	1.6
74.06084	1.4
79.05499	2.3
81.03426	3.9
81.07061	10.6
82.06615	1.1
83.06074	1.1
83.08611	2.5
84.04510	6.9
84.08142	12.2
85.02901	14.9
85.06547	1.4
86.06058	2.2
86.09701	14.8
87.04456	0.9
87.05595	1.5
87.10027	1.2
88.03979	1.6
91.05473	3.7
93.07071	2.5
94.95802	0.9
95.08613	6.8
96.04510	1.4
97.02887	7.4
97.06532	1.0
99.04449	1.5
102.05548	2.7
105.07040	4.0
107.08618	2.1
109.02859	3.0
109.06499	1.5
110.07169	6.5
112.08744	1.9
114.10278	1.2
115.08700	2.6
116.07100	2.2
119.04905	1.0
119.08563	3.6
120.08101	14.1
121.10134	3.1
123.08097	1.5
123.11710	5.0
126.09174	0.9
127.03921	3.6
127.08646	1.1
129.10246	7.4
132.00206	0.8
136.07591	3.1
137.13339	1.8
141.06606	1.0
145.02864	4.1
145.04958	2.6
147.11699	9.2
156.07819	1.6
157.13420	1.0
159.07651	1.3
162.09154	1.1
165.12779	3.9
166.08614	1.2
171.14896	2.6
175.03894	1.0
175.11850	1.4
176.08217	1.1
177.05446	4.5
180.07047	1.2
182.15408	45.9
183.13925	2.2
183.15758	3.2
184.13681	0.8
200.16454	56.3
201.16776	2.3
207.11282	2.8
209.78577	0.8
218.17513	100.0
219.14896	1.8
219.17929	5.2
231.11192	1.4
237.00621	1.1
242.17458	2.3
251.09123	1.5
260.18549	2.8
344.20712	4.1
345.21027	1.0
362.21628	3.1
366.33603	1.0
380.18771	1.5
380.22952	17.4
381.21051	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	380.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.1
65.63844	0.8
67.73012	0.8
70.06577	2.8
71.13064	1.7
71.51382	0.8
72.08158	100.0
73.08482	1.2
80.94864	1.2
81.07039	1.3
84.08145	2.2
91.05454	1.1
93.07064	0.9
95.08629	1.2
124.11227	4.0
152.66963	0.7
178.52222	0.9
264.32620	0.9
362.26996	2.6
380.27936	44.5
381.28351	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	380.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05502	1.0
56.05031	1.2
57.03452	0.5
57.05808	0.4
57.40751	0.3
58.06596	1.1
60.04508	0.4
60.39167	0.3
67.05510	2.0
69.03429	0.8
69.07064	1.0
70.06587	7.7
70.38956	1.0
71.04989	0.7
72.08152	100.0
73.08475	1.5
73.71635	0.3
79.05492	1.4
81.03426	0.5
81.07062	1.9
82.06548	0.4
83.08602	0.5
84.08142	1.6
86.06055	0.4
86.09697	2.8
91.05508	1.1
93.07036	1.8
95.04965	0.6
95.08587	2.3
96.08135	0.5
97.06519	0.8
98.09692	0.5
100.11298	0.3
105.07037	1.1
107.04935	0.7
107.08592	0.8
109.06505	0.5
110.09715	0.6
110.90495	0.3
117.07008	0.4
119.08624	0.4
120.08118	3.1
121.06535	0.9
121.08493	0.4
123.08084	1.0
124.11229	2.5
128.10736	0.5
131.08517	0.4
135.08066	0.3
144.08105	0.4
145.10194	0.5
146.11790	0.5
149.09669	0.3
163.11238	0.5
173.12978	0.8
180.10271	1.0
207.11380	0.9
208.17027	0.5
226.10115	0.4
251.16240	0.5
290.24994	0.5
318.24249	2.9
354.25003	0.6
362.23087	3.5
362.26834	2.4
363.23596	0.4
380.24185	6.8
380.28107	47.7
381.24265	0.8
381.28378	4.8
392.02237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
55.29391	0.9
70.06587	2.7
70.71744	1.7
72.08156	100.0
73.08495	1.4
76.91931	0.9
79.05472	1.2
81.07084	1.2
83.04977	1.1
84.08126	1.7
91.05477	1.1
100.11218	1.0
105.07034	1.3
119.75452	1.0
123.08136	1.3
124.11197	1.6
127.88719	1.1
129.10326	1.1
137.90523	0.9
333.60440	0.9
344.25800	0.9
362.27057	2.0
380.27954	51.7
381.28268	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	380.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05517	7.0
56.05037	3.6
56.35823	1.1
57.03434	8.7
57.07062	2.2
58.06601	52.0
62.06088	58.1
65.03948	2.2
67.05175	1.7
67.05503	14.7
69.03426	1.8
69.07069	4.7
69.72076	3.0
69.72474	2.8
70.06590	11.3
71.04986	2.0
72.08154	88.0
73.08507	1.6
74.06078	20.6
79.05484	8.2
81.07056	14.8
83.04986	3.9
83.08611	1.9
84.07687	1.1
84.08137	6.7
85.06540	3.0
85.08918	2.6
86.09717	2.0
88.07633	8.1
91.05480	96.2
92.05826	3.7
92.69562	1.0
93.07038	7.1
95.04988	5.6
95.08603	18.0
96.08112	2.1
97.06520	6.7
97.10179	1.5
98.09705	4.9
100.11269	1.2
101.05999	2.2
101.41609	1.1
102.09179	40.5
104.92467	1.0
105.07035	10.2
107.04975	2.3
107.08598	3.4
108.08105	7.8
109.10172	4.1
110.09689	1.4
111.08106	3.2
115.05447	1.2
117.07016	30.7
119.08581	2.4
120.25029	1.1
121.06526	2.4
121.10164	3.8
123.08103	1.3
124.11342	1.1
126.09156	3.4
128.06213	2.9
129.07011	20.7
131.08563	22.4
135.04425	1.4
135.08086	1.5
135.11697	2.3
140.41656	1.1
141.06966	1.3
143.08559	16.0
144.10133	1.4
145.10107	6.7
147.11674	1.6
157.10123	7.9
162.11237	1.3
163.03897	17.8
163.05042	1.2
166.58521	1.1
169.10101	1.7
171.11682	12.1
183.11765	1.5
189.12741	3.5
191.07106	1.3
200.20110	13.9
207.06505	17.3
224.99287	1.2
261.18436	1.2
277.25925	1.2
301.21561	6.2
324.12836	1.3
326.24533	1.1
344.26135	7.6
344.28912	7.6
346.21161	1.4
362.26837	56.3
362.30508	13.5
363.27069	6.8
380.24133	3.8
380.27832	100.0
380.31653	63.7
381.24106	1.8
381.28128	7.3
381.32443	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	380.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10641	0.2
53.03942	0.4
55.01874	0.6
55.05518	2.7
56.05034	1.1
57.03435	3.5
57.05851	0.3
58.06601	9.2
64.24557	0.3
65.03941	0.9
67.05507	6.0
69.07067	2.2
69.36547	1.7
70.06594	3.1
71.05001	0.7
71.06997	0.3
71.07386	0.8
72.08156	39.5
73.08492	0.7
79.05497	3.5
81.07050	7.2
82.07384	0.4
83.04987	0.6
83.08629	1.0
83.35111	0.2
84.07668	0.2
84.08145	5.0
85.06564	0.7
85.08927	2.8
86.09703	2.6
91.05480	31.8
92.05792	0.7
93.07045	2.7
95.04976	1.0
95.07674	0.4
95.08608	6.2
96.08147	0.6
97.06535	0.8
97.10178	0.8
98.09692	5.0
98.22652	0.6
101.51797	0.3
102.09179	1.0
105.07034	3.8
107.04968	2.5
107.08584	1.5
109.06540	0.3
109.10178	1.0
110.09706	0.6
111.04498	0.3
111.08094	0.5
112.11262	0.8
115.05462	0.4
117.07014	8.4
117.07832	0.4
118.07397	0.3
119.08573	0.6
120.08097	0.9
121.06520	0.5
121.10158	0.6
122.27959	0.3
123.08134	0.4
123.11729	0.5
124.11243	1.4
125.09669	0.5
128.06230	0.3
129.07005	4.2
131.08568	6.4
132.08949	0.3
135.11707	0.5
140.14348	0.3
143.08559	2.8
145.10139	0.8
147.11716	0.4
154.15894	0.4
157.10149	0.7
170.15477	0.7
171.11690	1.3
173.65237	0.3
180.10219	0.5
185.13286	0.4
307.92206	0.3
326.28485	0.4
344.29474	13.2
345.29810	1.2
362.26831	2.0
362.30545	31.7
363.30896	3.0
380.27869	5.3
380.31635	100.0
381.32010	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	380.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30395	0.1
55.01873	0.2
55.05506	1.4
56.05032	1.0
57.03443	1.5
57.05820	0.4
58.06606	1.3
59.04996	0.5
62.74957	0.1
65.03936	1.0
67.05499	4.1
69.03410	0.2
69.07068	1.6
69.50052	0.2
69.55565	0.7
70.06589	2.7
71.04992	0.4
71.07006	0.2
71.07364	1.2
72.08152	83.2
73.08487	1.3
74.06078	0.3
79.05492	1.6
81.07054	5.3
83.04981	0.4
83.08601	0.9
84.08120	0.9
85.06538	0.4
86.06075	0.4
86.09701	4.7
88.07639	0.2
91.05476	29.7
92.05817	1.0
93.07050	1.1
95.04953	0.3
95.07733	0.2
95.08602	5.0
96.08164	0.3
97.06534	0.6
97.10168	0.4
98.09689	0.8
98.23351	0.2
100.07616	0.5
101.08397	0.6
102.09177	1.4
105.07034	2.9
107.08581	0.7
109.10160	1.0
111.08069	0.5
115.05446	0.5
117.07008	8.1
118.07353	0.5
119.08572	0.4
121.10160	0.6
123.11710	0.2
124.11224	0.3
125.09659	0.2
128.06216	0.2
129.07007	1.3
131.08560	8.3
132.08910	0.3
132.10179	0.3
135.04402	0.2
135.11682	0.2
143.08553	1.2
145.10110	1.3
157.10110	0.7
159.11659	0.3
161.09364	0.2
163.03960	0.5
163.20062	0.2
171.11708	0.6
200.20079	0.4
200.37978	0.2
207.06587	0.5
211.22853	0.1
316.10120	0.2
326.28366	0.9
344.29453	4.9
345.29794	0.4
351.60089	0.1
352.27026	0.1
362.30521	13.7
363.30930	1.1
369.57965	0.2
380.31549	100.0
381.31897	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	380.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74557	4.1
55.05508	18.2
57.07076	96.1
59.30297	3.9
67.05501	58.7
69.07062	29.0
69.76376	19.2
71.08633	66.2
72.08145	8.2
79.05493	32.2
81.07056	67.7
83.08616	11.5
85.06486	5.5
85.10192	41.9
89.06030	100.0
91.05463	20.5
93.07039	43.2
94.06566	15.6
95.04978	4.4
95.08605	49.5
97.10175	5.4
98.98504	5.3
99.11758	5.2
101.09665	10.2
105.07046	15.2
107.07046	6.1
107.08576	28.8
108.08929	5.1
109.10133	26.9
111.11743	9.5
117.58190	5.3
119.08588	11.7
121.10133	20.7
123.11712	9.0
131.08577	15.6
133.08600	37.8
133.10152	10.1
135.08086	11.3
135.11678	20.4
136.08577	4.5
136.11176	5.1
137.09563	4.5
145.10121	7.8
147.11673	4.9
149.09602	5.7
149.13255	11.8
151.09671	10.3
155.01033	4.6
159.11700	8.8
161.13290	4.2
163.14893	6.7
165.09148	11.2
166.09409	4.5
166.16565	4.1
173.13216	8.3
177.11223	10.9
177.12706	6.4
184.76006	4.2
187.14876	7.3
191.14244	4.3
195.12270	63.1
217.89949	4.1
226.12926	4.0
254.22580	4.4
261.25726	5.1
277.12006	4.1
289.25189	53.0
348.26157	34.9
363.31210	38.8
380.28543	11.7
381.29721	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	380.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05519	7.5
56.05040	1.1
57.03434	2.4
57.07062	2.0
58.06602	5.1
59.04993	5.3
59.61087	0.9
67.05136	0.9
67.05507	18.0
69.07066	7.2
70.06578	3.5
71.30293	1.1
72.08158	27.1
79.05508	9.0
80.05016	1.4
81.07056	30.5
83.08617	2.1
84.08144	5.7
85.06520	1.2
85.08909	5.0
86.09721	1.7
89.85985	1.0
91.05478	6.2
93.07043	7.0
95.04978	1.9
95.08611	21.9
97.06530	1.7
97.10147	1.3
98.09700	5.1
105.07027	3.3
107.08622	4.2
107.09241	0.9
109.10159	5.3
117.06971	1.0
119.08580	3.6
121.10133	3.7
123.08051	1.2
123.11704	1.8
124.11206	1.1
132.91475	1.0
133.10114	2.7
135.11714	1.3
145.10086	1.2
147.11668	1.7
149.13268	1.2
161.13359	1.1
177.12781	1.1
185.13458	1.0
192.63066	1.0
196.16978	1.7
221.15446	0.9
264.23282	1.5
266.06650	0.8
362.34158	53.1
363.34436	6.7
380.35245	100.0
381.35645	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	381.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27016	19.7
67.91370	18.4
69.49329	100.0
71.55102	17.5
123.50674	19.1
127.18711	19.2
156.92236	17.5
159.84448	18.3
176.58974	19.9
180.74124	19.1
247.38177	20.0
381.07651	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58806	2.1
57.60678	1.8
65.29677	2.7
66.98766	1.9
70.57418	5.4
71.65976	2.0
83.24711	2.3
90.65721	2.1
132.26155	2.1
201.01578	4.0
219.02591	4.5
265.13510	2.3
341.35184	2.2
381.07938	100.0
382.08435	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96758	4.1
70.10621	14.6
83.81508	4.4
114.29805	3.8
162.08147	4.7
205.31964	4.3
381.07935	100.0
382.08481	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	381.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	75.6
70.53680	94.8
100.00846	42.7
102.54867	39.7
113.15058	54.4
191.30478	44.9
230.96939	39.2
246.97287	40.2
381.21075	100.0
388.57947	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08395	0.6
69.23795	4.2
70.06586	2.2
72.08139	1.4
84.08154	0.9
98.87772	0.7
109.31622	0.6
110.07166	1.9
117.03325	1.5
120.08054	0.9
145.02827	5.6
174.46028	0.8
175.03922	0.8
177.05469	8.9
187.98810	0.7
219.06448	2.0
223.15677	0.7
236.49838	0.7
246.63489	0.8
251.09164	2.2
381.11548	100.0
381.21332	8.9
382.11874	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	381.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.05518	57.2
61.88548	6.5
67.05494	36.3
69.03430	22.5
69.07069	15.1
71.04997	12.7
72.08163	19.9
79.05492	20.7
81.07052	33.8
83.04991	24.2
83.08620	62.9
84.33462	5.9
87.04494	5.8
91.05479	53.0
93.07040	39.6
95.04969	100.0
95.08604	42.7
97.06526	50.3
101.72500	5.5
105.07041	51.0
107.08584	48.4
109.06528	17.7
109.10156	16.7
110.07175	7.4
111.08080	9.9
113.09658	18.7
115.05377	5.4
117.07025	18.8
119.08588	42.0
121.06538	11.1
121.10141	17.9
123.08067	17.8
125.09605	17.1
128.06207	11.7
129.06984	22.3
130.07814	5.7
131.08531	24.7
133.10188	15.3
135.08057	20.1
135.11630	6.9
139.11159	20.8
141.06961	8.6
142.07793	22.1
143.08557	27.7
144.09322	7.8
145.10112	48.7
147.08043	22.4
147.11658	8.2
149.09584	8.6
153.12764	10.6
155.08569	16.7
155.10677	16.2
156.09428	12.8
157.10117	50.4
159.08038	20.1
159.11740	14.1
161.13121	6.2
165.07018	12.7
167.08528	10.9
169.10167	25.7
170.10916	8.5
171.08076	10.1
171.11671	29.7
172.08871	6.8
173.09592	27.6
175.11304	5.8
179.08557	16.2
179.14218	8.6
180.09262	13.2
181.10085	9.1
181.12257	16.1
183.07944	6.1
183.11751	16.4
185.09656	6.9
185.13210	28.5
187.11200	6.5
195.11702	30.2
195.13498	7.7
197.09636	7.2
197.13275	10.7
198.10304	7.1
199.11191	10.0
207.11673	6.8
208.12456	5.1
209.13268	22.6
211.14864	12.6
213.12718	34.8
213.16301	6.7
214.13354	5.3
221.13222	11.8
223.14926	12.4
225.12798	7.2
227.14360	17.4
233.15366	7.8
237.12877	8.3
239.14253	9.0
245.15434	7.5
246.16156	7.9
255.17517	7.7
279.17578	11.1
281.19250	12.8
297.18503	8.2
298.19257	20.3
299.20007	8.4
300.33356	5.9
301.18185	6.4
305.18970	6.3
323.16263	7.7
363.27023	10.1
381.19968	9.8
381.24026	82.1
381.34924	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
57.07060	1.4
57.26616	0.8
60.31308	0.9
67.05502	2.6
69.07076	1.5
79.05494	1.5
81.07056	3.8
81.13201	0.8
83.08640	0.8
89.06030	2.9
91.05490	2.1
93.07032	2.3
95.08614	3.8
97.10140	1.2
98.23351	2.4
100.02523	0.9
100.60779	0.9
105.07033	1.4
107.08608	2.1
109.10119	1.8
119.08588	1.5
121.10189	1.2
122.26240	0.8
123.11729	1.0
135.11734	1.1
147.11639	1.1
165.09140	1.3
177.12819	1.0
200.63136	0.9
221.15410	2.5
302.88199	1.0
381.27646	100.0
382.27921	12.1
382.36993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71080	1.3
53.03943	3.9
55.05511	17.6
57.03433	2.5
57.07089	9.1
57.77930	1.5
65.03928	2.9
67.05502	97.8
68.05832	4.0
69.03427	2.4
69.04388	7.1
69.04811	6.8
69.07063	20.2
71.04968	2.5
71.08620	3.5
72.08140	1.9
75.04485	1.7
79.05492	40.2
81.07053	100.0
82.07376	3.1
83.04966	1.6
83.08610	11.2
85.06532	2.6
85.10145	2.0
86.09721	1.5
89.06032	4.7
91.05482	22.5
92.05781	1.8
93.07043	52.4
94.06567	12.6
94.07336	1.4
95.04951	4.3
95.08604	90.3
96.08902	1.5
97.06512	4.0
97.10171	6.2
98.23376	3.5
105.07032	18.2
107.08591	37.8
109.06525	2.5
109.10150	41.7
110.10486	1.6
111.08085	2.4
111.11651	1.9
111.29691	1.3
113.09609	1.7
114.09174	2.2
117.06995	4.7
119.08577	19.6
121.10135	37.5
123.08021	1.9
123.11697	20.2
131.08562	15.6
133.08594	1.9
133.10129	14.5
135.07991	2.5
135.11688	27.3
136.11195	2.5
137.13228	9.1
145.10136	15.5
147.11694	8.9
149.13243	13.8
151.14854	3.0
157.10143	2.1
159.11693	12.9
161.13289	6.9
163.14812	6.4
163.59669	1.4
165.09024	2.7
171.11729	1.9
173.13205	9.4
175.14795	5.0
177.16382	3.5
183.11755	2.1
187.14822	6.4
189.16444	4.4
191.17938	2.1
195.11948	1.9
201.16348	4.7
203.17958	1.9
205.19550	1.8
213.10248	5.3
213.12874	1.7
215.17935	2.6
219.17487	3.4
221.15311	1.9
233.18997	2.6
247.20396	1.6
250.18126	1.5
255.14876	5.0
261.25748	5.3
271.24158	8.6
289.25241	97.6
290.25421	6.8
292.19232	1.5
297.19580	3.2
307.26306	2.4
339.24280	7.1
363.28937	5.1
381.29901	22.0
382.36710	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	381.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.81534	2.8
55.05499	11.6
57.07079	7.4
65.99705	2.4
67.05504	30.4
69.07063	16.9
69.32239	9.5
69.32668	8.9
71.08614	2.6
74.97980	2.9
79.05481	21.4
81.06584	5.4
81.07053	85.7
83.08612	9.6
85.06542	23.5
89.06031	4.5
91.05476	27.7
92.34317	3.0
93.06470	4.3
93.07043	56.1
95.04954	4.1
95.06527	2.7
95.08609	64.7
96.08932	3.0
97.06536	4.7
97.10172	5.7
99.08072	3.7
105.07029	46.4
107.08598	40.2
109.10157	31.9
111.08070	6.5
115.86767	2.6
117.07022	6.8
119.08578	48.4
120.08862	4.3
121.06448	3.0
121.10135	33.2
123.11716	16.4
125.09632	2.7
129.07002	4.3
131.08598	14.1
133.10129	23.6
135.11697	23.4
137.09602	4.2
137.13219	4.9
140.09827	3.1
142.07835	3.7
143.08530	8.4
144.09256	3.1
145.10126	27.2
147.11681	24.9
149.13249	18.4
157.10156	17.3
159.11710	43.8
161.13264	20.7
163.14771	9.7
169.10190	5.2
171.11685	14.6
173.13254	17.8
175.14799	8.2
177.16335	5.7
183.11714	6.7
185.13239	12.7
187.14943	13.0
189.16429	10.4
196.12451	2.9
197.13248	6.1
199.14838	11.6
201.16373	9.2
203.17914	6.6
211.14793	5.8
213.16312	15.4
215.17982	8.0
225.16290	4.5
227.17952	10.6
229.19469	6.5
239.17862	3.3
241.19606	5.9
253.19513	6.4
255.21094	5.6
257.19214	2.9
257.22528	4.1
267.21088	5.5
269.22534	7.8
281.22675	6.6
283.24182	6.4
293.22348	3.1
297.25763	3.7
363.30414	29.4
364.30795	3.3
381.11673	7.7
381.26569	8.2
381.31451	100.0
382.12640	3.0
382.31851	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	382.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49915	0.3
56.05021	1.6
60.04516	1.3
66.38493	0.3
69.07061	1.1
69.39563	0.3
70.06589	5.5
71.30019	0.3
72.08159	1.0
80.73083	0.3
81.04519	0.8
81.39121	0.3
83.06100	8.8
84.04496	0.5
84.08151	1.6
86.09702	16.1
87.05593	0.5
87.10051	0.3
91.05473	0.4
93.04526	6.8
93.07008	0.4
95.06089	6.6
96.08144	0.3
98.65287	0.3
103.05439	0.5
104.55311	0.3
110.07159	100.0
111.07494	2.2
112.08679	0.3
115.08642	0.5
116.07096	0.5
120.08100	4.8
121.03939	0.4
121.08440	0.5
127.08689	0.4
128.10718	1.2
129.10234	0.5
132.78212	0.3
136.07573	1.7
138.06612	4.3
141.10249	0.4
146.03075	0.3
149.71065	0.3
156.07655	1.2
166.06119	3.0
173.09219	0.3
173.12852	5.2
177.05472	0.4
177.10252	0.8
178.05594	0.4
178.13383	21.5
179.13733	1.1
182.08118	0.6
201.12309	0.6
206.12836	1.6
220.72652	0.3
223.15526	28.1
224.15898	1.4
234.12346	1.4
245.18657	1.9
251.15018	25.1
252.15320	1.1
257.03586	0.3
269.16061	4.0
288.44989	0.3
290.07297	0.3
315.97220	0.3
346.22412	0.9
364.23523	0.6
381.72226	1.4
382.20212	1.2
382.24777	8.4
383.24783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.0
58.06591	0.6
60.04524	3.9
68.05029	0.4
69.03434	0.3
69.07069	0.7
69.76138	1.2
70.02936	0.5
70.06590	6.2
70.83392	0.3
72.08147	1.5
74.06078	1.7
80.55785	0.3
81.04536	1.0
82.05318	0.5
83.06109	8.0
84.04499	0.5
84.08144	2.4
86.09708	22.3
87.05588	2.6
87.10049	0.4
91.05483	0.5
93.04522	6.2
93.41035	0.4
95.06089	5.1
98.06123	0.3
98.22653	0.4
98.78885	0.4
107.08535	0.4
110.07166	100.0
111.07504	1.7
119.04967	0.6
120.08105	2.0
120.66848	0.4
121.04009	0.6
121.06539	0.4
122.07146	0.6
123.04417	1.0
126.09179	0.4
127.08688	0.9
128.10716	3.5
129.06673	0.3
129.10233	0.4
136.07579	3.1
138.06615	4.0
145.02908	0.4
147.04395	0.5
152.07077	0.7
155.08150	0.8
156.07675	2.0
165.05504	1.8
166.06125	3.6
167.10664	0.7
170.04269	0.6
173.12856	18.2
174.13222	0.4
177.05350	0.6
178.05879	0.5
178.13396	16.1
179.13669	0.5
182.08116	2.8
190.13446	0.8
194.08136	0.4
201.12358	4.5
204.13611	0.4
206.12878	1.6
216.09753	0.6
217.32585	0.4
223.15530	19.8
224.15863	0.7
234.12408	2.5
234.19077	0.3
245.18544	2.0
251.15034	28.3
252.15384	1.2
253.15195	0.6
265.46466	0.4
269.11160	0.7
269.16058	5.3
301.18796	0.9
318.28162	0.3
346.22382	2.0
364.23407	0.8
381.72397	0.5
382.19711	6.2
382.24557	8.4
383.20120	0.4
383.24844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99668	0.5
55.01879	3.3
55.05511	1.7
56.05032	1.2
57.03458	0.8
58.06604	4.6
58.62090	0.5
67.05517	3.0
69.07047	0.6
70.06595	3.3
70.40454	1.3
71.07378	1.1
72.08157	2.4
79.05502	1.8
81.07074	3.3
82.06581	1.3
83.04977	0.7
83.08627	1.0
84.07632	1.2
84.08147	20.7
86.09676	0.6
93.07040	0.7
93.26993	0.7
95.04951	0.9
95.08619	2.3
96.08181	1.0
98.09687	1.8
100.07642	0.6
100.11243	2.1
105.07061	1.2
107.04987	0.7
107.08593	0.8
110.07156	0.9
110.09662	1.4
111.04443	1.6
112.11237	1.8
119.08601	1.0
121.10102	0.6
123.04379	0.7
124.11145	0.6
128.10748	0.9
145.10139	1.0
151.41083	0.6
164.53693	0.5
167.09270	0.5
173.84642	0.6
182.15468	0.6
210.14857	1.0
224.00377	0.6
257.14853	0.5
276.23016	0.6
291.19443	1.0
304.22745	1.4
310.76102	1.3
318.24396	1.3
336.25388	5.0
346.23685	1.5
364.24823	43.6
365.25208	3.6
382.25854	100.0
383.26230	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	382.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01873	2.1
55.05507	2.1
56.05032	1.3
57.03440	1.7
58.06599	3.1
59.05016	0.5
62.06087	0.9
67.05508	10.6
69.03422	0.9
69.07069	1.2
70.06587	2.3
70.34262	0.5
70.34599	0.9
71.04992	1.7
72.08157	100.0
73.08485	1.5
77.01097	0.4
79.05496	6.5
81.03373	0.6
81.07061	6.5
83.04980	1.2
83.08582	0.5
84.08139	1.5
85.02912	0.8
86.09697	1.7
91.05475	4.7
93.07044	6.1
94.07465	0.4
95.04963	7.4
95.08607	4.2
97.06539	1.6
98.09728	0.4
100.07623	2.3
101.08417	0.6
102.09179	13.4
105.07030	2.8
107.08595	3.6
109.06533	1.0
109.10155	0.9
110.07174	2.3
111.08131	0.7
116.88660	0.5
117.07005	1.1
119.08598	1.9
121.10144	1.5
124.11279	0.5
131.08577	1.8
133.10165	0.8
145.10231	0.5
147.11678	0.6
149.13277	0.8
159.11717	0.6
176.12851	0.7
190.06088	0.4
233.86858	0.6
251.15131	0.5
269.16013	0.4
346.27203	0.8
364.28436	76.2
364.71570	0.4
365.28784	7.2
382.29474	34.3
383.29712	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	382.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49245	0.5
55.05513	0.7
56.05033	0.6
57.03447	0.8
57.05816	0.5
58.06603	0.8
67.05510	0.9
69.07071	0.9
69.14438	4.1
70.06596	3.2
71.04987	0.9
72.08158	100.0
73.08485	2.3
79.05494	0.9
81.07069	2.2
84.08143	0.9
91.05505	1.4
93.07054	1.3
94.94279	0.5
95.08617	1.6
100.07642	0.6
100.11282	1.1
105.07058	0.6
110.07142	0.6
119.08603	0.5
123.08066	1.5
124.11253	2.1
157.06136	0.5
225.18346	0.8
346.27151	0.9
364.28476	5.8
382.29538	46.6
383.29865	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	382.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.2
56.05031	0.7
56.33150	0.2
57.03132	0.2
57.03431	0.9
57.05815	0.4
58.06594	0.7
59.46490	0.2
60.77366	0.2
61.72171	0.2
67.05502	0.9
67.14301	0.2
68.21684	0.2
69.07057	0.5
69.88214	0.5
69.88604	0.5
70.06597	2.6
71.04990	0.7
72.08154	100.0
73.08478	1.6
79.05486	1.4
81.07056	1.8
83.04957	0.3
84.08134	0.9
85.08910	0.4
86.09715	0.4
88.55228	0.2
90.67677	0.2
91.05477	1.0
93.07062	1.1
95.04974	1.0
95.08609	1.4
96.08125	0.5
97.06516	0.6
98.09689	0.6
100.07634	0.3
105.07049	0.8
107.08581	0.5
108.08158	0.3
109.06538	0.3
110.07180	1.1
119.08575	0.6
122.09665	0.3
123.08076	0.9
124.11204	2.3
124.11839	0.2
130.12250	0.3
133.10098	0.3
137.09605	0.3
147.11702	0.4
156.40350	0.2
162.64653	0.3
179.14229	0.2
231.76302	0.2
346.27487	0.7
364.28452	6.1
365.28629	0.5
382.29504	45.0
383.29813	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	382.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05502	1.5
56.05023	0.6
57.03432	1.5
57.05809	0.4
58.06607	3.0
67.05509	4.6
68.99787	0.5
69.03407	0.5
69.03570	0.8
69.03996	4.0
69.07052	2.4
70.06596	1.8
71.05002	3.6
71.07377	0.5
72.08155	50.1
73.08493	0.7
78.78790	0.4
79.05495	4.7
81.07060	8.8
83.04981	1.7
83.06105	0.5
84.08143	2.7
85.08939	1.7
86.09712	0.9
91.05480	3.3
93.07040	3.6
93.27921	0.7
95.04964	0.7
95.08602	13.6
96.08134	0.6
97.06531	3.6
98.09695	1.2
98.23338	1.0
105.07032	2.2
107.08593	2.0
108.08007	0.5
109.06535	0.6
109.10165	0.5
117.07026	1.0
119.08587	1.9
121.06474	0.5
121.10141	1.1
123.08056	1.7
124.11217	1.3
125.05984	2.9
125.09659	0.8
127.07628	0.6
133.10146	1.5
139.07587	0.9
143.07050	0.7
145.10078	0.7
147.11713	0.8
149.13303	0.6
159.11728	1.2
161.13228	1.4
163.11194	0.9
171.11778	0.6
177.12869	0.7
196.17081	0.6
205.12263	1.3
223.13309	1.1
242.06444	0.4
294.20667	4.0
301.21692	0.6
319.22763	2.0
336.28915	2.9
337.23962	0.5
346.27356	1.2
354.79709	0.4
364.28442	42.2
365.28760	4.7
382.29498	100.0
383.29880	9.4
388.62268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79631	0.9
51.02397	1.0
53.03931	2.7
55.01849	3.4
55.05491	4.3
57.03423	3.9
58.06575	3.4
62.06092	61.5
62.38279	1.2
65.03912	1.9
67.05506	33.6
68.05791	1.4
68.53194	1.0
69.07037	4.6
69.51640	5.2
70.06557	4.0
71.05000	8.4
72.08158	67.0
73.08482	7.8
77.90608	1.2
79.05086	1.4
79.05495	17.5
81.06673	1.7
81.07059	17.1
83.04955	2.4
84.08128	2.1
86.09688	1.9
91.04982	1.2
91.05480	13.3
92.05788	4.0
93.07048	20.0
95.04967	33.4
95.08602	13.1
97.06537	6.0
98.22672	1.9
102.09183	21.5
105.07037	6.3
107.04951	1.8
107.08591	10.5
109.06429	1.2
109.10117	5.2
110.07111	5.2
117.06979	2.8
118.07340	1.4
119.07629	1.2
119.08532	4.4
121.10099	3.6
122.09636	1.4
123.08116	1.6
129.06932	1.8
131.08510	3.5
133.10068	1.9
137.09566	1.2
143.08516	1.5
145.10074	2.8
147.11594	2.1
149.09517	1.1
149.13341	5.5
157.10104	2.2
159.11659	1.8
223.15443	1.8
237.18367	1.4
239.36429	1.3
251.14752	1.6
319.22461	1.7
346.26962	1.4
364.28348	26.5
382.29279	100.0
383.29651	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	382.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.6
56.21256	0.6
57.03429	3.1
57.07064	1.8
58.06602	4.1
58.18647	0.6
60.58501	0.6
67.02029	0.7
67.05507	13.7
69.05993	6.3
69.06732	0.8
69.07066	8.7
70.06589	2.9
71.04971	1.1
71.07388	0.8
71.08616	1.1
72.08156	22.3
77.29214	0.6
79.05496	8.1
81.07058	25.7
82.07396	0.9
83.04980	0.8
83.08629	4.1
84.08141	4.8
85.06512	0.9
85.08926	5.1
85.43226	0.7
86.09700	1.4
91.05495	1.8
93.07044	6.0
95.04974	2.2
95.08607	21.0
96.08941	0.7
97.06533	2.1
97.10162	2.9
98.09701	4.7
98.23293	1.4
105.07034	1.8
107.08596	3.7
109.10174	4.2
110.07158	1.2
111.08054	1.4
111.11742	0.7
113.09647	1.1
119.08590	2.3
120.53752	0.6
121.10137	4.2
123.08099	0.8
123.11758	1.0
125.09681	0.7
130.68600	0.6
131.08551	0.7
133.10066	1.0
135.11694	2.0
145.10141	0.7
153.53870	0.7
168.24451	0.6
174.39534	0.6
196.16977	1.1
301.28833	1.0
311.77921	0.7
319.29947	1.4
357.06415	0.6
364.35715	52.6
365.36200	4.2
382.24390	2.0
382.36789	100.0
383.37088	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98635	0.4
55.95802	0.2
56.96302	0.4
56.96566	7.3
56.96851	0.4
69.43425	0.4
69.43818	0.7
71.95256	2.5
84.65900	0.2
98.23309	0.2
98.97584	100.0
99.97926	0.9
116.98622	50.4
117.98930	0.3
134.99658	14.7
138.08791	0.2
140.00198	0.8
153.00699	1.2
158.01250	0.4
170.88243	0.2
174.97644	0.3
177.00963	0.3
181.97391	0.5
192.98788	0.2
198.98016	0.3
216.98822	0.9
219.01982	0.3
234.99893	1.3
240.98650	5.0
241.99129	0.4
258.99771	56.9
259.99933	4.4
261.03125	0.6
274.97748	0.3
277.00818	81.5
278.00992	6.2
279.01248	0.3
282.01352	0.8
282.99921	2.5
283.99945	0.2
284.99652	0.2
295.01801	0.7
300.02411	1.1
301.00995	3.0
302.01071	0.7
343.02164	0.5
359.01059	0.6
360.00598	0.2
382.99893	1.3
401.01071	6.5
402.01208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04541	3.1
69.97958	7.9
70.06590	17.0
83.06092	9.1
84.08118	4.1
86.09696	12.3
93.04517	7.4
95.06090	5.0
97.63063	3.2
100.14342	2.9
110.07171	100.0
111.07520	13.6
114.09157	2.9
120.08092	2.7
120.09810	2.7
129.10280	3.3
138.06624	3.3
145.22392	2.8
156.07652	3.6
164.31311	2.6
178.13408	7.7
223.15541	15.3
224.15860	5.7
239.02248	5.2
251.15088	18.9
252.15329	8.8
257.03189	4.8
303.74252	2.7
382.24905	4.2
383.06378	5.9
383.11160	11.3
383.24869	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	383.1489
Annotation	5,4'-Dimethoxy-3'-prenylbiochanin A
Peak:m/z	Relative Intensity
51.07309	1.9
53.51928	2.2
55.05502	4.1
57.07081	2.9
67.05492	5.9
67.25153	2.0
69.07066	4.7
71.30811	2.7
72.08167	2.2
77.57346	2.1
79.05496	2.5
81.07047	9.0
83.05001	2.3
85.72062	1.8
88.33136	2.0
91.05464	3.7
93.07024	5.7
95.08604	6.3
101.93292	2.0
105.07032	5.1
107.08616	4.9
109.10126	5.0
115.71239	2.2
117.07016	2.1
121.10144	3.4
123.08107	2.4
133.10124	2.5
135.11697	2.5
165.05606	3.4
165.06934	2.9
182.07272	2.3
183.04434	2.2
185.06152	2.8
193.06467	2.7
194.07141	2.2
197.06004	5.6
198.06761	5.9
207.08167	2.7
207.11636	2.8
209.06013	3.0
210.06741	5.6
211.07562	5.7
213.05461	4.5
220.08855	2.8
221.06161	2.7
225.05466	5.2
225.09067	3.8
235.07608	2.3
235.11311	6.0
238.06401	2.3
239.06960	4.9
240.07817	3.0
241.04994	10.0
242.05905	2.6
248.08313	6.7
249.09094	6.3
252.07597	2.4
253.04819	2.5
253.08617	5.7
254.05794	5.1
255.06557	13.1
256.07330	17.9
263.07108	2.7
263.10736	10.6
265.05194	2.2
265.08557	7.5
267.06610	3.4
268.03534	2.3
268.07245	5.8
269.04532	8.3
269.08060	4.7
278.09311	3.9
279.10208	2.8
280.10938	4.5
280.54944	2.3
281.04526	4.6
283.06030	18.1
283.09482	4.7
284.06714	8.1
285.07526	4.4
291.06750	2.9
291.10168	9.3
293.08228	3.4
293.11771	10.5
294.12521	3.2
295.10129	2.8
295.13373	9.0
296.06866	3.7
297.07623	8.6
300.06186	6.0
306.08853	4.1
307.09552	5.9
308.10367	2.7
310.08450	5.0
310.11981	3.2
311.09158	10.5
313.07065	6.9
314.07819	82.1
315.08368	8.3
321.11197	33.2
322.11868	7.3
323.09116	5.7
323.12915	10.2
325.14319	16.4
326.07748	2.4
327.08737	10.9
338.11652	6.1
341.10175	19.4
342.11081	2.6
352.13034	4.6
353.13821	100.0
354.14273	6.0
382.36542	2.7
383.14890	74.9
383.25540	3.1
384.15219	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	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81098	4.7
55.05504	8.1
56.05041	11.4
57.03439	20.0
58.06594	6.0
61.02922	5.4
67.05501	8.3
68.70470	6.9
69.03433	43.8
69.07075	7.9
70.06596	46.6
72.08157	33.6
81.03421	8.3
81.07053	8.3
83.06116	7.0
84.04504	10.9
84.08149	30.4
85.02907	100.0
86.09704	52.1
87.04470	37.4
87.10017	5.8
91.05471	7.0
96.08149	6.8
97.02892	37.6
98.23381	11.4
99.04462	7.0
105.06946	5.2
110.07175	59.6
110.09675	7.9
114.09193	10.3
115.03929	49.7
120.08090	25.2
121.02914	5.3
127.03930	15.3
128.10695	37.5
129.10219	6.6
133.04961	61.8
136.07591	8.7
145.04948	31.3
163.06017	10.2
178.01265	5.0
180.06590	5.8
196.96440	5.8
207.11308	10.1
229.62292	5.2
269.10870	6.5
365.24820	6.4
366.26202	10.2
383.16687	48.1
383.25964	16.2
384.19434	12.5
384.27499	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98904	1.6
53.03949	3.6
55.01867	6.7
55.05272	2.3
55.05513	27.2
57.03441	16.8
57.07078	2.3
58.06605	2.2
65.03925	2.2
67.05505	37.0
69.03428	4.6
69.07066	18.9
70.06594	3.8
71.04987	8.2
71.30082	2.1
71.66540	1.6
72.08158	100.0
73.07839	2.4
73.08482	14.8
79.05494	30.7
81.03419	26.5
81.07059	51.1
81.90544	1.8
82.07362	1.9
83.04971	13.8
83.08606	15.3
84.08142	2.9
85.02907	10.4
85.06540	7.4
86.09697	3.9
88.45509	1.7
90.51480	1.6
91.05485	20.4
92.05778	1.9
93.07041	23.3
93.14211	1.6
95.04974	20.4
95.08608	17.5
97.02899	3.1
97.06523	6.7
97.10173	13.8
98.09666	3.2
99.04455	2.3
99.08080	4.1
100.11250	5.4
103.05465	1.8
105.07040	17.0
107.04974	5.2
107.08591	18.3
109.06532	6.5
109.10131	9.0
110.07172	8.7
111.04422	4.6
111.08084	7.3
117.07024	4.8
119.08590	14.3
120.08084	1.5
121.06515	2.4
121.10152	11.8
123.08071	20.4
123.11709	1.9
125.09639	16.8
128.06230	2.0
129.06999	3.7
131.08577	10.5
133.06523	2.3
133.10143	10.4
135.08090	2.4
135.11722	4.2
137.09613	5.0
145.10112	4.9
147.08000	4.0
147.11649	8.5
149.09660	4.2
149.13191	2.2
152.62274	1.9
153.12761	3.8
157.10141	5.4
159.11667	3.8
161.09618	3.1
163.07655	2.0
163.11189	7.3
165.09137	2.6
170.15489	2.3
171.11662	1.9
173.09744	1.9
175.11205	7.5
181.12187	3.2
182.15491	3.3
189.11229	10.6
193.12221	19.4
198.14839	4.6
211.11479	2.4
211.13322	15.0
223.13307	5.6
227.12744	3.6
251.85808	1.8
262.21487	1.7
267.15891	2.4
273.18524	8.0
285.17181	2.3
291.19598	23.0
299.73828	1.7
300.30084	1.8
348.29095	3.0
365.23376	2.3
365.28867	17.4
366.30145	11.2
383.16052	3.9
383.24243	16.8
383.29764	60.4
384.31085	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01863	3.0
55.05513	17.5
57.03425	2.2
57.07076	14.8
59.04985	6.8
67.05505	34.8
69.03429	14.9
69.07075	9.3
69.86171	8.6
71.04983	5.7
71.08628	4.0
72.08163	3.4
72.69238	1.7
77.03931	2.9
79.05068	2.6
79.05495	33.6
80.06239	2.7
81.03400	3.1
81.07060	37.3
83.04977	7.5
83.08620	7.1
85.06532	6.6
91.05484	51.4
92.05786	2.0
93.07045	100.0
95.04982	24.1
95.08605	42.0
97.02918	2.4
97.06530	14.6
103.05477	2.2
105.04493	4.3
105.07033	83.8
107.04918	1.9
107.08596	41.1
109.06519	22.0
109.10163	23.3
111.08075	10.6
115.05498	3.4
116.06248	2.6
117.07021	11.2
119.08584	58.9
121.06493	14.4
121.09298	3.3
121.10139	42.1
122.10452	3.4
123.08079	31.7
123.11727	2.5
125.09639	2.1
128.06212	7.0
129.06993	12.7
130.07773	4.7
131.08577	22.9
133.06483	6.9
133.07480	2.0
133.10133	31.5
135.08043	23.4
135.11719	5.8
137.05992	3.7
137.09616	14.3
141.06989	4.5
142.07793	21.7
143.08565	22.8
144.09320	3.8
145.10123	32.1
147.08057	30.1
147.11700	14.2
148.08772	4.1
149.09610	15.7
151.07545	46.3
152.07860	2.7
153.09134	3.1
155.08562	7.5
155.10583	2.6
156.09344	8.5
157.10146	38.0
159.08089	8.0
159.11697	18.4
160.08881	3.3
160.12468	1.9
161.09612	23.4
161.13237	7.7
163.11188	8.7
165.09129	47.1
167.08423	2.8
168.44104	2.1
169.10118	7.1
170.10893	6.1
171.08061	2.0
171.11703	9.2
173.09633	12.4
173.13264	8.3
175.11174	18.8
175.14836	7.6
177.09079	7.1
177.12637	2.7
178.09932	2.8
181.10065	4.9
181.11960	2.1
182.10841	3.2
183.11647	2.6
185.09764	2.9
185.13274	16.9
187.11209	6.5
187.14876	3.5
189.12704	10.4
191.14288	1.9
193.10225	2.1
194.10867	2.0
195.11653	5.0
197.09749	1.8
197.13219	8.7
199.11185	3.6
199.14737	3.1
201.12732	6.9
203.14323	30.4
207.11932	3.7
207.13750	15.2
208.14160	2.3
209.13297	4.5
209.15289	4.5
211.14775	2.5
213.12781	4.3
215.14299	5.5
216.15117	2.3
217.12187	2.3
219.13708	4.7
221.15356	79.3
222.15723	5.8
223.14751	2.1
225.12831	3.5
227.14264	3.9
229.12267	3.3
231.13791	2.5
233.15421	6.7
234.16286	4.3
237.14783	2.1
239.23668	2.4
243.13960	3.1
253.15904	2.3
263.18039	2.3
271.17065	2.6
274.19537	2.0
281.19073	3.5
286.19357	4.0
287.19962	9.4
287.25058	2.3
299.20117	5.6
303.19498	6.8
309.18500	3.1
365.20767	3.9
365.24799	10.5
365.36020	3.2
366.37204	6.9
383.20474	16.1
383.25769	49.7
383.36942	6.8
384.21341	2.3
384.26126	6.9
384.38400	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.49892	18.2
55.05508	51.1
65.95536	14.6
67.05506	81.1
69.03434	19.2
69.07069	46.5
69.65482	69.3
70.06641	16.7
79.05495	58.5
81.07064	95.2
83.04972	18.1
83.08613	25.3
84.08142	49.1
91.05478	53.4
93.07029	96.9
95.04977	64.0
95.08623	60.7
97.06533	19.3
105.07034	100.0
107.08567	91.5
109.06535	28.6
109.10160	52.5
110.07182	21.3
113.09634	15.9
117.07030	17.1
119.08592	51.1
121.10123	79.5
121.40343	21.4
123.08090	23.2
123.11793	26.4
125.09661	32.5
131.08591	50.7
133.10147	52.7
135.08025	32.5
141.55948	17.7
143.08560	44.4
145.10158	55.9
147.11667	22.1
149.09662	57.0
151.07573	45.1
154.79303	16.9
156.09346	19.5
157.10162	37.3
159.08086	40.7
159.11678	27.8
161.09618	57.8
167.10715	60.4
171.11572	20.6
175.11259	18.5
187.19121	15.7
201.12675	39.7
233.15375	26.4
234.16183	25.8
288.38834	16.3
365.24612	18.2
383.25751	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87181	2.8
53.03943	4.1
55.01886	7.6
55.05510	28.2
57.07085	17.6
59.05005	7.1
67.05505	37.0
68.64579	3.3
69.03441	15.5
69.07077	25.9
69.60516	15.7
71.05001	8.3
71.08626	2.9
74.14175	2.8
79.05495	36.1
81.07063	68.6
83.04977	18.0
83.08635	10.7
85.06573	9.3
91.05485	54.5
93.07050	100.0
93.07632	5.7
95.04978	21.4
95.08616	48.4
97.06555	16.2
97.10165	3.1
98.23325	4.0
105.07037	81.4
106.07343	3.5
107.04914	4.1
107.08601	43.7
109.06515	36.6
109.10161	24.8
111.04449	39.9
111.08096	15.9
115.05436	4.2
116.93461	2.8
117.07034	10.2
119.05006	2.8
119.08598	55.4
120.09411	3.3
121.06496	14.3
121.10149	49.5
122.07276	3.6
122.09642	4.1
123.08087	44.1
125.06004	41.5
128.06248	8.5
129.07034	12.3
130.07776	7.4
131.08566	21.8
133.06517	7.6
133.10123	39.0
134.74400	2.7
135.08061	28.3
135.11694	17.6
137.05981	79.0
137.09624	10.5
138.06383	3.4
139.07559	5.9
141.06949	5.7
142.07768	22.0
143.08582	18.6
144.09290	4.1
145.06448	3.9
145.10147	36.9
147.08052	22.9
147.11684	23.5
149.09633	23.3
149.13277	3.5
151.07558	41.3
153.09201	4.0
153.12756	16.7
155.08589	5.7
155.14400	4.4
156.09375	9.1
157.10139	41.2
159.08069	8.1
159.11710	16.0
161.09630	25.1
161.13286	9.4
163.11186	17.0
165.09129	39.7
169.10078	4.8
170.10953	4.1
171.11685	8.4
173.09634	9.1
173.13280	8.6
174.10303	3.7
175.11237	21.9
175.14857	8.6
177.09171	9.3
177.12798	7.0
179.14336	28.0
181.10144	4.3
181.12260	30.3
182.13068	3.3
183.11633	5.6
185.13200	13.9
187.11234	6.5
188.69131	3.1
189.12773	12.2
191.14287	4.3
195.11763	3.5
195.13837	10.2
197.13248	5.9
198.10201	4.3
199.11243	4.8
201.12811	5.0
203.14360	35.4
203.17967	4.0
207.13806	10.4
209.13318	5.6
213.12666	4.1
215.14342	4.5
221.15372	77.7
222.15732	3.8
223.14752	3.1
231.17473	5.0
234.16139	5.4
241.15842	4.7
243.13759	4.1
249.18591	5.5
277.18008	29.1
278.18552	3.4
286.19238	5.9
287.20145	4.7
291.19702	6.1
293.21173	10.5
295.18979	3.3
299.20093	7.5
299.30981	3.3
303.19614	8.8
309.20804	4.5
331.26566	3.8
347.26074	4.1
349.27396	26.6
350.27997	12.9
351.88480	3.6
365.26840	5.4
383.25586	41.3
383.36832	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03927	3.4
55.01883	2.9
55.05522	14.9
57.03438	2.6
57.07060	11.8
59.04983	7.1
59.88274	2.2
67.05502	29.9
69.03419	14.2
69.07058	10.6
69.96726	10.7
71.04981	8.0
79.05492	35.1
81.07051	30.1
83.04985	6.8
85.06544	5.3
91.04961	4.5
91.05479	51.1
93.07042	100.0
94.07365	3.1
95.04970	22.4
95.08603	35.6
97.06516	16.1
103.05441	4.5
105.04508	3.4
105.07026	77.6
107.04946	3.0
107.08589	37.2
108.05691	2.8
109.06505	20.9
109.10139	17.2
110.93456	2.5
111.08083	7.8
117.06991	11.5
119.07771	5.0
119.08575	54.0
121.06512	12.9
121.10150	39.9
123.08065	32.2
123.11710	4.7
128.06198	10.3
129.06982	14.1
130.07779	4.4
131.08569	27.2
133.06477	9.7
133.10110	27.8
134.10480	3.1
135.08049	18.6
135.11703	4.1
137.05928	4.0
137.09616	10.6
141.06914	4.1
142.07796	23.1
143.08572	23.7
145.06511	3.5
145.10135	37.3
146.07196	3.8
147.08087	26.7
147.11656	10.9
148.08849	5.5
149.09615	25.0
151.07520	39.9
153.09053	3.6
155.08565	4.4
156.09317	12.3
157.10124	37.5
159.08028	5.3
159.11736	16.5
160.08755	3.5
161.09586	24.2
161.13261	5.0
163.11150	6.9
165.09084	38.9
169.10120	3.2
170.10905	7.1
171.11671	8.5
173.09645	7.9
173.13286	10.1
175.11211	25.0
175.14816	11.5
177.09169	13.8
181.10153	3.8
183.11710	7.6
185.13254	16.1
187.11189	3.6
187.14781	4.1
189.12688	10.3
195.11681	3.7
196.12456	3.1
197.13269	7.2
199.11226	4.9
201.12764	6.2
203.14291	35.0
207.13802	9.2
208.12372	3.0
208.44376	2.8
209.13240	3.9
209.15341	4.4
213.12558	2.8
215.14307	9.1
217.12035	3.2
219.13780	3.9
221.15347	59.7
227.14360	4.2
229.12195	3.5
231.13930	3.9
233.15451	6.2
234.16055	12.8
243.13837	3.1
271.17273	2.9
281.19092	3.7
286.19290	5.1
287.20135	6.0
299.20050	5.1
303.19412	6.0
365.24567	6.3
366.37347	6.3
383.11444	3.5
383.25830	55.9
384.25977	7.2
384.38254	11.9
393.98318	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03950	6.5
55.05507	21.6
57.03442	3.4
57.07076	12.3
59.05000	9.0
59.09398	2.7
65.03938	3.7
67.05501	35.5
69.03447	15.8
69.07079	10.7
69.11729	23.1
70.78868	2.8
71.04982	5.9
72.50345	2.5
72.57150	2.6
76.07845	2.6
77.03944	3.3
78.84522	3.8
79.05492	31.0
81.03438	3.2
81.07064	37.4
83.04982	7.0
83.08630	6.5
85.06546	8.4
85.18771	2.8
91.05482	47.5
93.06467	6.7
93.07053	100.0
95.04977	29.3
95.08618	39.6
97.06536	19.4
102.04713	2.9
103.05473	5.4
105.07040	86.9
106.07375	4.5
107.08583	42.4
109.06516	29.8
109.10181	15.3
111.04437	11.2
111.08093	10.2
115.05480	3.4
117.07045	13.9
119.08595	50.3
121.06503	18.3
121.10159	41.2
122.07237	3.3
123.08077	36.4
125.06010	9.1
125.09612	3.2
128.06223	8.2
129.07063	13.7
130.07791	4.7
131.08568	32.8
133.06488	7.8
133.10147	32.7
135.08047	25.7
135.11703	11.6
137.06009	13.2
137.09633	9.7
141.07013	5.0
142.07788	23.6
143.08594	28.3
144.09294	2.7
145.06570	3.4
145.10132	44.4
147.08064	24.4
147.11717	20.4
149.09599	22.3
151.07535	42.7
153.09059	5.9
155.08582	8.1
156.09334	5.8
157.10143	36.3
159.08078	10.1
159.11685	13.9
161.09630	22.2
161.13228	7.0
163.11179	10.7
165.07079	3.3
165.09108	41.7
166.09431	3.1
169.10104	5.3
170.10902	5.5
171.11742	10.4
173.09663	12.2
173.13283	5.9
175.11198	26.1
175.14870	8.4
177.09125	9.0
179.08748	3.7
179.14368	6.8
180.09215	4.0
181.10158	5.9
181.12253	9.6
182.11008	4.1
183.11742	9.3
185.09598	3.3
185.13272	20.0
187.11140	4.2
187.14803	4.6
189.12773	11.5
195.11697	5.9
197.13322	7.0
199.11211	5.0
201.12743	7.8
203.14339	33.2
207.13808	10.7
209.13319	7.8
209.15430	7.9
213.12685	2.7
215.14442	8.8
219.13828	5.2
221.13281	2.5
221.15356	73.5
222.15727	5.4
225.12714	4.9
227.14317	3.6
231.13792	7.4
233.15401	4.7
234.16212	9.8
243.13611	3.8
271.17044	3.9
274.19119	3.9
277.18210	4.5
281.18982	5.2
286.19241	5.8
287.20099	8.8
298.92322	3.2
299.20200	4.5
303.19672	9.7
347.23654	4.5
349.27097	4.8
350.36819	3.4
365.24866	9.5
365.36127	3.7
383.25732	72.6
383.37286	3.5
384.26132	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71626	2.4
53.03942	8.4
55.01871	5.4
55.05500	26.8
57.03450	3.1
57.07088	14.1
57.07320	2.2
59.04992	10.0
61.97998	2.6
65.03912	2.6
67.05501	46.5
69.03434	19.6
69.07073	17.5
69.51009	8.3
69.51411	7.1
71.04978	9.3
71.08616	2.9
72.08140	8.1
79.05495	44.1
81.07059	53.6
82.07397	3.7
83.04959	9.6
83.08615	10.9
85.06532	10.5
87.06428	2.7
87.88236	2.8
91.05482	64.1
93.07043	100.0
95.04977	30.0
95.08614	64.3
95.09188	1.8
96.08943	3.5
97.06538	22.1
99.08089	4.5
104.57232	2.9
105.04518	3.1
105.07030	94.2
107.08596	60.5
109.06516	37.3
109.10163	27.0
111.04445	40.1
111.08109	19.4
115.05482	5.0
116.06184	3.7
117.07005	12.3
119.08580	64.4
119.09430	3.4
120.09445	3.0
121.06551	15.6
121.10153	51.4
123.08072	47.5
123.11697	8.5
125.05984	35.8
128.06206	11.9
129.06998	14.8
130.07779	7.1
131.08577	28.7
133.06493	8.2
133.10126	33.8
135.08041	30.5
135.11693	18.2
137.05969	39.9
137.09592	13.8
139.07555	3.0
141.06999	6.5
142.07796	24.9
143.08588	24.3
144.09393	3.3
145.06375	3.2
145.10132	47.9
147.08041	24.0
147.11682	25.3
149.09639	27.7
149.93422	2.6
151.07535	54.7
153.09045	3.9
153.12727	7.9
154.07841	2.9
155.08534	8.4
156.09325	9.3
157.10132	49.2
158.10709	4.2
159.08054	10.3
159.11726	17.1
160.08875	6.5
160.34569	2.6
161.09621	22.6
161.13277	11.9
163.11177	16.2
165.09125	41.2
167.08650	2.8
169.10130	8.1
170.10855	8.6
171.11702	9.4
173.09618	9.5
173.13257	10.7
174.10426	4.4
175.11157	29.8
175.14804	11.4
177.09108	10.4
177.12685	4.1
178.09833	3.4
179.08485	2.9
179.14339	24.0
181.10143	4.9
181.10548	5.1
181.12224	37.4
182.12965	5.3
183.11757	6.8
185.13240	21.0
187.11214	6.6
187.14764	4.1
189.12724	9.0
191.14328	5.3
195.11734	4.7
195.13824	14.5
197.13321	4.6
199.11198	3.8
201.12720	6.7
203.14314	33.1
207.11888	4.8
207.13715	15.8
209.15286	4.6
213.12808	4.6
215.14279	6.9
219.13782	5.4
221.13399	3.5
221.15359	69.1
222.15738	5.4
227.14273	3.8
231.13811	3.0
233.15359	6.5
234.16103	10.1
243.13866	3.0
249.18575	4.6
271.16696	4.7
274.19501	4.3
277.17834	17.9
286.19202	5.9
287.20053	11.8
291.19437	3.5
293.21042	5.9
295.19086	3.7
299.20044	3.9
303.19675	6.8
309.18213	3.1
349.27402	16.3
350.27820	10.8
365.24933	11.5
365.36093	12.4
383.25681	61.9
383.37097	24.1
384.26382	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	12.5
55.05504	26.4
57.07061	20.4
59.91657	6.2
67.05514	49.2
69.03430	13.4
69.07058	16.0
69.78651	19.4
69.79043	10.7
72.08151	23.3
79.05492	33.7
81.07053	61.5
83.04972	17.0
83.08615	12.0
85.06516	11.8
88.21602	6.8
91.05476	63.8
93.07035	90.6
95.04949	41.5
95.08594	58.1
97.06516	15.4
102.09174	9.2
105.07027	62.9
107.08592	58.3
109.06518	26.4
109.10153	42.7
111.08065	12.0
111.67208	7.1
114.59958	7.6
117.06993	23.2
119.08587	54.5
121.06476	19.7
121.10150	59.1
123.08079	33.3
125.09626	7.1
128.06242	8.6
129.07031	18.0
131.08537	36.0
133.06482	13.4
133.10133	39.8
135.08041	35.3
137.05936	8.8
137.09570	12.1
142.07803	15.9
143.08553	31.6
145.10110	47.1
147.08034	19.1
147.11671	23.4
149.09593	44.9
151.07495	41.4
155.08551	16.1
156.09236	7.8
157.10138	53.0
158.10495	6.5
159.08055	18.4
159.11684	25.6
161.09610	23.9
161.13210	12.2
165.09108	26.3
169.10133	10.8
170.10957	10.7
171.08087	7.5
173.09663	10.6
173.11819	7.6
173.13234	11.3
175.11185	20.6
175.14764	7.7
177.09103	21.5
178.09880	7.9
181.10127	10.7
185.13303	7.8
187.11122	7.3
187.14731	8.8
189.12779	10.1
195.11647	15.0
197.13318	9.0
201.12813	14.3
202.03455	6.3
203.14319	23.4
207.13846	16.7
209.13232	8.3
215.14310	13.4
219.13843	13.5
221.15329	44.6
225.13023	6.6
227.14328	8.6
234.16096	28.6
263.17920	7.0
281.19028	8.5
287.20023	10.2
322.24527	11.2
339.23056	14.2
365.24808	16.7
383.25638	95.7
383.30145	8.2
384.28601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01873	6.9
55.05511	27.7
57.03428	2.9
57.07085	12.0
63.05463	1.5
63.72620	1.5
67.05502	21.1
67.29497	1.4
69.03439	2.1
69.07042	33.9
71.04984	2.4
71.08632	5.7
72.86266	2.1
79.05492	11.5
81.07062	44.6
82.07402	2.4
83.04973	14.6
83.08607	12.5
85.06561	7.6
91.05476	13.6
93.07056	22.4
95.04981	3.6
95.08611	31.2
97.06536	15.7
97.10190	3.9
99.08088	3.4
105.07027	18.7
106.07376	3.0
107.04958	4.2
107.08608	29.7
107.09296	3.0
109.06520	23.2
109.10179	15.1
111.04446	70.2
111.05202	3.7
111.08060	7.8
117.07059	2.3
119.08584	12.4
121.06509	6.0
121.10145	11.3
122.07335	3.5
122.09645	4.8
123.08063	32.2
123.11743	6.0
124.05244	2.9
125.05991	65.2
125.09650	4.9
127.07529	1.7
130.07753	2.1
131.08592	4.8
133.06580	1.5
133.10168	7.5
135.08061	23.5
135.11705	19.8
137.05983	100.0
137.09613	4.9
137.13255	3.7
138.06525	2.5
139.07570	6.7
139.11140	1.7
143.08621	3.5
145.10123	14.9
147.08069	4.6
147.11682	10.1
149.09622	8.6
149.13260	5.8
151.07532	7.6
151.11179	2.1
153.12730	22.7
155.14331	4.1
157.10146	5.4
159.11696	4.7
161.09621	8.1
161.13301	2.4
163.11180	19.0
163.14876	1.9
164.11554	1.9
165.09131	6.1
165.12849	2.7
167.10739	3.3
173.13126	1.8
175.11177	8.8
175.14848	2.4
177.12804	4.8
179.10716	5.6
179.14322	46.8
181.12233	60.7
182.12987	6.4
189.16386	1.9
193.12395	2.1
195.13791	16.0
203.17981	6.0
205.19554	2.2
207.13916	2.2
213.16434	4.0
217.15907	2.2
221.15337	2.2
231.17500	4.7
249.18443	10.8
251.20052	2.9
263.19931	1.7
271.15387	3.9
275.20380	2.0
277.17957	34.9
278.18652	5.2
291.19556	7.6
293.21106	13.3
295.19443	2.4
296.19620	2.0
309.20612	7.4
311.23621	2.0
327.21429	4.4
329.24734	3.6
347.25787	7.0
348.26624	3.5
349.27399	52.4
350.28052	19.3
365.26901	15.6
366.27332	2.9
383.27975	21.0
383.37387	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	384.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05502	2.1
56.16159	0.7
57.03424	2.0
57.07076	0.6
58.06603	4.1
67.05506	5.8
67.43938	0.6
69.07056	2.5
70.06596	4.0
70.55804	1.6
71.04996	6.8
71.07390	0.7
71.48117	0.6
72.08156	28.1
79.05492	7.5
81.03439	1.1
81.07060	17.0
83.04971	1.0
84.08142	4.2
85.06543	1.0
85.08942	4.7
86.09728	1.5
91.05486	4.6
93.07034	4.8
95.04959	1.5
95.08605	11.9
97.06543	1.2
98.09689	6.0
99.08094	0.7
105.07045	4.0
107.08595	2.3
109.06498	1.3
109.10162	0.9
110.37738	0.6
112.11233	0.7
117.07017	0.7
119.08586	3.2
121.06508	0.7
121.10118	1.3
123.08070	6.9
124.11232	1.6
126.12812	0.9
127.45216	0.6
128.10735	1.5
129.06966	0.6
131.08588	1.0
133.10147	1.3
137.09625	1.1
137.97914	0.6
140.14391	0.7
145.10124	1.0
147.11697	1.7
151.11208	1.0
163.11205	0.9
179.14247	1.1
187.06120	1.0
196.17006	1.8
207.13733	1.0
224.19995	0.8
294.24292	2.3
295.24704	0.6
320.29477	1.8
348.28967	10.1
349.29337	1.1
353.21295	0.8
366.30029	44.4
367.30286	5.1
384.31079	100.0
385.26047	1.3
385.31384	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	384.3108
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
53.03941	0.8
55.01852	1.0
55.05500	2.3
56.05017	0.8
57.03431	3.9
58.06366	0.5
58.06608	4.7
67.05509	7.3
69.07067	1.5
69.48592	0.8
69.48998	3.0
70.06586	2.7
71.05002	9.0
72.08160	28.1
76.64087	0.5
79.05492	8.2
81.03424	1.6
81.07058	18.9
83.04973	1.1
83.08623	0.7
84.08155	3.7
85.08925	5.0
86.09707	2.0
91.05484	4.7
93.07041	4.5
94.60846	0.7
95.04967	1.2
95.08611	13.7
97.06532	0.9
98.09700	6.1
99.08095	0.7
105.07043	3.1
107.08578	2.5
109.06516	1.5
109.10174	1.6
112.11289	0.6
117.07050	0.7
119.08578	3.0
123.08068	8.2
124.08352	0.6
124.11231	1.7
125.09604	0.9
131.08592	0.9
133.10150	0.9
137.09665	1.8
138.41232	0.5
145.10130	0.6
147.11716	1.2
149.09636	0.8
158.65356	0.6
179.14256	1.2
196.17070	1.0
224.19891	0.8
246.44930	0.8
294.24329	5.5
320.29474	1.9
339.17874	0.6
348.28970	10.1
366.30048	43.7
367.30231	3.8
384.31097	100.0
385.31409	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3103
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
55.01870	1.3
55.05513	2.1
56.05041	0.8
57.03440	1.1
57.05800	0.4
57.07079	0.6
58.06605	0.5
65.03940	0.3
67.05508	2.8
69.03418	0.4
69.07066	6.0
69.33465	2.3
70.06581	3.0
71.04989	1.2
71.07370	0.7
72.08154	100.0
72.21447	0.3
73.08475	1.7
79.05495	4.0
81.07056	4.8
82.07390	0.5
83.04978	2.2
83.08620	1.2
84.08140	1.0
85.02921	0.4
85.10175	0.3
86.09708	1.9
87.11452	0.3
89.06042	1.3
91.05472	1.1
93.07046	3.8
95.04972	1.3
95.08602	2.3
97.06548	2.0
97.10223	0.3
99.04469	1.9
101.08469	0.3
102.09207	0.9
105.07041	1.3
107.04960	0.7
107.08573	2.1
109.06515	3.0
109.08878	0.4
109.10152	0.9
110.07179	0.4
110.09727	0.4
111.04442	3.4
111.08100	0.7
117.06992	0.4
117.41701	0.3
119.08585	0.8
121.06528	0.8
121.10139	1.4
123.08076	0.4
124.11227	3.0
125.09624	0.3
131.08556	1.2
133.10144	1.0
135.08067	1.2
135.11713	0.6
137.05997	1.7
138.06335	0.6
139.07521	0.5
145.10153	0.4
149.09676	0.7
149.13280	1.1
159.11743	0.4
201.89587	0.3
238.68585	0.3
278.18417	0.7
296.19250	0.4
348.28918	2.3
366.30017	22.7
367.30408	2.5
384.31070	59.3
385.26321	0.6
385.31357	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	385.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06915	1.0
63.90080	0.9
67.05501	2.1
70.06593	21.2
72.08160	5.2
84.08154	2.1
86.09710	3.9
86.36156	0.9
100.07695	1.0
103.31676	1.1
110.07169	2.2
116.07126	1.2
127.08649	5.0
128.10745	2.6
128.35095	0.9
129.10173	1.0
131.86758	1.0
151.60910	1.0
155.08150	5.8
176.39761	1.1
206.08089	1.7
210.27005	1.2
215.13972	1.0
223.09445	5.5
227.95636	1.0
229.15489	3.1
253.94116	0.9
254.14870	2.2
350.26941	1.5
368.28064	2.7
372.26218	0.9
385.14676	100.0
385.27713	3.0
386.14944	7.8
386.29037	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
56.05014	1.2
58.06597	0.9
58.54635	0.6
61.02942	0.7
67.05503	1.0
69.03417	1.1
69.07069	6.5
69.47910	3.7
70.06591	37.7
71.04987	1.0
71.06918	0.8
72.08153	30.6
73.08482	0.6
73.54379	0.6
75.05598	1.5
79.05471	1.0
81.03419	0.7
81.07053	0.8
84.04501	9.4
84.08143	2.8
85.02892	2.7
86.09703	100.0
87.05585	0.8
87.10047	2.6
91.05475	4.2
93.07048	1.3
95.08615	0.9
96.08115	0.8
97.02884	1.0
101.07149	1.6
105.07018	1.4
105.96805	0.6
107.64159	0.6
110.07153	1.5
112.08721	1.9
112.11195	0.7
116.07089	31.2
118.06551	5.1
119.04943	3.8
119.08559	1.0
120.08099	13.5
120.08921	1.1
120.91621	0.6
121.06519	1.0
121.10142	0.8
123.08056	0.6
124.07650	0.8
127.08688	0.9
128.10715	2.5
129.10237	15.3
130.05008	0.8
130.06543	2.8
132.08069	0.9
136.07574	34.6
143.11783	8.4
144.06560	6.1
144.07663	0.8
144.08035	0.8
145.10191	0.7
146.06010	2.8
147.04477	0.9
147.11647	0.9
150.95982	0.6
155.08115	1.1
157.09688	7.1
157.10855	0.7
159.11540	0.7
160.07590	3.8
161.09200	4.7
163.11182	0.7
166.08620	5.5
170.06052	1.4
171.11311	4.9
177.10226	1.2
187.11021	0.9
188.07008	4.1
189.12727	1.2
193.09708	19.9
197.12843	1.7
201.05466	0.8
205.12253	1.4
206.08153	8.5
206.15446	1.0
207.08421	0.7
207.13809	3.3
215.13878	7.3
221.09230	2.2
223.09523	0.9
223.13246	2.5
224.16469	2.7
225.15921	3.3
229.15439	7.1
238.34639	0.7
270.18042	5.5
367.07971	2.1
385.10001	1.3
385.18283	27.2
385.25406	4.1
386.18655	2.5
386.24985	1.4
386.29080	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	386.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01855	1.0
55.05490	0.3
57.03432	1.1
58.06577	0.9
61.02931	1.4
67.05482	0.2
69.03429	5.8
69.07040	0.7
69.37192	1.4
70.06591	14.0
71.01331	0.3
71.04975	0.6
71.06898	0.4
72.08151	1.8
73.02904	1.4
76.48213	0.3
79.05460	0.7
81.03413	2.0
81.07036	0.3
82.06554	0.7
83.04977	0.2
84.04483	0.6
84.08114	0.9
85.02902	7.9
86.01544	0.2
86.09686	3.1
87.04442	1.0
91.03913	0.6
91.05443	0.9
93.07018	0.5
94.06559	1.6
95.04923	0.4
97.02888	2.9
97.06491	0.5
99.04425	0.7
101.02325	0.3
103.05463	0.3
105.07014	0.9
108.08121	0.4
109.02879	1.1
109.06471	0.3
109.10147	0.4
110.07193	0.3
110.09649	0.5
111.04412	0.9
113.06000	1.1
116.07104	0.3
119.08537	1.0
120.07321	0.4
120.08100	3.5
121.06472	0.3
121.10148	0.3
121.42546	0.2
123.04424	0.3
123.08083	0.6
123.11689	0.9
124.07511	0.3
125.05972	0.6
127.03922	1.2
128.06194	1.3
128.10680	1.1
129.07001	0.3
132.08018	0.4
133.06511	0.4
136.07613	1.5
137.09564	0.3
138.05492	2.1
139.03873	2.3
139.07518	0.4
143.08577	1.8
144.06526	0.3
145.04939	0.8
145.10103	0.5
146.09634	0.4
147.08032	0.8
147.11633	0.7
149.05969	11.5
150.06287	0.4
150.09062	0.3
151.07559	0.6
157.04984	1.9
160.11211	0.6
161.09554	0.7
162.09059	0.4
164.10695	1.4
165.09097	0.9
167.07031	7.1
177.07726	0.3
177.10254	1.4
178.08624	2.0
178.12248	0.7
182.08128	0.4
185.00758	0.2
188.10695	0.8
189.09142	1.7
189.11122	0.3
189.12720	2.3
196.13345	0.3
204.10117	0.4
205.09732	0.4
206.11754	24.5
207.10254	3.0
207.12076	0.9
207.13780	2.1
224.12804	100.0
225.10973	0.6
225.13097	4.8
225.15176	0.4
243.93111	0.2
386.18094	14.8
386.28882	1.1
387.16522	1.1
387.26901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84064	0.5
53.03938	0.8
53.18606	0.4
55.01873	0.5
55.05507	0.6
56.05029	0.9
57.03437	1.0
58.06598	1.8
59.04988	0.9
60.05653	2.9
61.02934	2.4
65.36205	0.4
68.05016	0.9
69.03431	6.1
69.07077	0.8
70.02966	0.5
70.06596	26.1
70.26120	1.3
71.04989	1.4
71.06924	1.6
72.08154	5.9
73.02924	0.9
78.50669	0.4
79.05498	1.3
81.03421	2.7
81.47218	0.4
82.06619	0.5
84.04491	1.6
84.08153	4.3
85.02905	15.0
86.09700	8.6
87.04474	1.3
87.10013	0.6
88.07593	0.7
91.03932	0.7
91.05471	3.1
93.07075	0.5
97.02902	5.3
97.07665	0.5
98.03216	0.5
99.04446	0.9
99.06852	0.6
103.05475	3.7
104.24120	0.4
105.07034	15.1
106.07390	0.9
107.04946	1.6
109.02869	1.5
110.07150	2.4
112.07697	0.4
112.07997	0.6
112.08734	5.8
115.05487	0.5
115.08707	1.6
116.07108	2.0
118.06538	5.4
119.07323	0.9
120.08115	11.3
126.05340	0.4
127.03088	0.4
127.03880	2.6
128.06245	2.1
129.10237	1.8
130.05052	0.7
130.06531	0.9
131.04944	2.7
131.07323	1.1
131.08533	0.4
132.08051	1.3
136.06154	1.7
136.07608	1.0
140.08206	1.4
143.08554	1.8
145.04971	1.8
157.10886	1.5
158.09253	1.1
160.11221	59.3
161.11549	2.5
165.13762	0.5
166.85423	0.5
168.15005	0.5
169.13380	1.1
173.12773	0.5
175.11902	2.4
178.12273	49.5
179.12665	2.6
191.40561	0.4
197.12845	0.5
206.11792	11.0
207.12018	0.8
211.15572	2.6
224.12819	100.0
225.03696	10.2
225.13155	5.5
225.17041	0.6
248.12712	1.2
253.16309	0.5
256.17715	0.7
257.15991	1.1
274.18738	1.8
288.20532	0.6
350.16003	0.8
356.10889	0.5
370.24512	0.7
385.24768	0.5
386.13818	1.1
386.17889	2.5
386.25757	4.1
387.08908	2.8
387.16479	1.3
387.27155	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.3
56.05023	2.9
57.03428	7.8
57.74910	2.3
66.36243	2.1
69.02972	16.9
69.03423	19.8
69.07080	3.2
70.06595	100.0
71.06934	5.5
72.08160	47.8
73.08493	3.5
74.06079	3.6
78.18836	2.1
79.05453	2.1
81.07088	2.8
84.04510	6.6
84.08155	12.5
85.02908	28.8
86.09707	83.1
87.04475	12.7
91.05478	4.0
95.04948	3.5
96.08150	3.6
97.02894	15.2
105.07012	2.6
109.43683	2.4
110.07185	6.2
112.08726	6.0
114.09150	4.5
115.03942	20.0
115.08731	2.2
115.20423	2.3
116.07096	18.2
120.08142	11.9
123.08077	7.0
127.03908	3.2
127.08662	3.0
129.10255	5.8
131.08173	3.5
133.04967	26.5
136.07585	11.3
143.11827	3.3
145.04959	10.8
151.07584	13.4
155.08093	2.6
159.07605	3.5
162.07625	2.9
163.06032	4.8
167.07047	4.6
169.13393	2.8
170.13731	3.2
175.10742	5.9
185.16444	16.0
199.14474	2.4
207.13824	4.0
213.16002	10.4
229.15569	12.8
256.12863	3.5
287.17926	2.6
367.90515	2.6
386.14926	4.0
386.25305	7.4
387.16022	3.4
387.27298	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
55.50903	0.5
56.05030	0.9
57.03447	0.6
57.05819	0.5
57.07076	1.4
60.65646	0.5
67.05513	1.5
69.07075	1.0
69.32642	0.9
69.33044	2.2
70.06596	2.8
71.04996	1.1
71.08646	0.7
72.08157	100.0
73.08494	1.5
79.05479	1.3
81.07059	2.1
83.08626	1.0
84.08169	1.5
86.09694	1.5
91.05495	1.0
93.07056	1.7
95.04981	0.9
95.08606	2.6
97.06543	1.0
102.09193	0.5
105.68082	0.5
107.08633	0.7
109.06538	0.7
109.10169	0.8
119.08555	0.8
123.11668	0.5
124.11221	3.0
129.10231	0.7
133.10056	0.6
141.12791	0.5
149.09636	1.1
169.81256	0.5
183.17519	0.9
198.45236	0.5
213.49077	0.5
223.38440	0.8
269.16922	0.6
282.94946	0.5
305.24719	1.1
350.30563	1.3
368.25583	0.8
368.31537	4.8
386.26932	3.6
386.32623	54.7
387.26965	1.3
387.32904	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	386.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05519	2.3
56.05034	1.0
57.03436	1.3
57.05813	0.7
57.07081	2.0
67.05503	3.0
69.07075	2.4
69.47819	0.6
69.48208	0.7
70.06588	2.7
71.05000	0.6
71.07347	0.4
71.08629	2.7
72.08156	100.0
73.08490	1.7
79.05496	1.8
81.07057	5.0
83.04980	0.7
83.08636	1.5
84.08160	1.0
85.10188	1.0
86.09724	2.3
91.05480	1.2
93.07044	2.2
95.04964	1.6
95.08606	5.5
96.08182	0.3
97.06548	1.1
97.10187	0.7
98.23323	0.6
100.07593	0.4
102.04514	0.3
102.09203	0.7
105.07051	0.4
107.08605	1.0
109.06503	0.7
109.08906	0.4
109.10140	1.8
111.08077	0.5
117.07046	0.4
119.08604	0.9
121.06534	0.6
121.10147	0.5
123.08064	0.7
124.11226	3.7
129.10233	0.4
133.10181	0.8
135.08086	1.1
135.11710	0.5
137.09663	0.4
147.11716	0.3
155.14348	0.7
172.69136	0.3
175.14894	1.0
207.94775	0.3
221.19029	0.8
223.38649	0.5
239.20020	0.3
265.21719	0.7
305.24942	0.6
341.24716	0.5
350.30438	1.8
368.31589	23.2
369.31921	1.8
386.32739	60.8
387.33081	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89799	0.6
55.01873	1.3
55.05508	2.5
56.05034	0.7
57.03437	0.9
57.05813	0.7
57.07080	1.7
58.06612	0.7
63.58506	0.5
67.05505	3.1
69.07065	1.4
69.52428	2.4
70.06593	4.1
71.04989	1.8
71.08634	2.0
72.08157	100.0
72.51060	0.5
72.55568	0.6
73.08494	1.9
79.05503	2.4
81.07060	4.9
83.04961	1.0
83.08630	1.1
84.08132	2.5
86.09716	2.2
91.05499	1.1
93.07066	2.1
95.04990	0.8
95.08624	3.2
97.06540	1.7
97.10186	0.8
105.07040	1.2
107.08582	1.5
109.06503	2.8
109.10162	1.1
111.08054	0.8
113.04236	0.6
119.08603	1.2
121.10171	0.8
124.11217	3.0
126.68006	0.6
131.08585	0.9
133.10201	0.8
149.09671	1.2
167.10698	1.1
183.17412	2.6
191.24916	0.6
213.08241	0.5
350.30765	1.9
355.23022	0.6
368.31543	20.7
369.31949	1.6
386.26785	32.9
386.32697	55.5
387.27054	4.0
387.33041	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	386.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
57.03433	2.3
58.06597	3.4
61.10565	1.8
62.65976	1.8
67.05502	8.6
68.79814	1.9
69.07074	2.1
70.06586	3.9
70.25700	1.8
72.08157	19.7
78.70713	2.0
79.05509	6.0
81.07047	19.4
84.08140	3.5
85.08936	3.5
93.07065	4.9
95.08607	14.5
98.09694	5.5
105.07037	2.8
107.08583	5.0
109.10181	3.2
119.08644	3.2
121.10110	2.6
133.10123	3.6
137.06010	4.3
149.13364	2.2
159.53358	2.0
208.41341	2.1
343.15393	2.0
350.30557	4.5
368.31567	42.1
369.31787	4.8
386.32666	100.0
387.32895	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	387.2016
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.05511	4.7
56.05033	3.4
57.03438	2.3
58.06603	2.4
60.04510	2.3
60.05645	3.5
61.02929	2.1
67.05515	3.4
69.03438	6.0
69.07071	7.4
70.03756	2.2
70.06593	68.2
71.05003	3.6
71.06924	6.4
71.29207	2.7
72.07752	3.4
72.08156	68.7
74.28251	1.6
79.05483	3.0
81.03426	2.8
81.07062	7.6
82.06568	2.0
84.04509	21.7
84.08146	17.3
85.02905	31.7
86.09706	100.0
91.05509	4.1
93.07088	2.2
94.06561	2.3
95.04417	1.8
95.04976	7.8
95.08605	4.9
97.02908	4.3
101.07137	3.6
105.07037	3.8
107.08594	4.4
109.10187	4.3
110.07140	3.0
110.89593	1.7
111.04456	2.1
112.07560	2.8
112.08750	7.6
114.09179	1.7
115.08703	2.9
116.07092	5.1
119.04922	2.1
119.08605	5.9
120.08119	10.5
123.08099	3.0
123.11713	25.6
125.05958	2.0
127.03869	2.9
128.10727	1.9
129.10240	7.9
136.07669	2.1
137.07957	2.2
138.05510	2.2
139.03932	2.1
139.35274	1.6
144.06549	21.8
147.11696	5.1
149.06007	7.6
149.09639	4.9
150.06331	10.3
151.07559	1.9
157.04919	1.9
157.10860	3.4
157.13382	6.0
158.09262	3.6
159.09254	2.5
161.09212	25.8
161.13206	2.5
165.11136	2.0
167.07074	5.0
168.07343	4.6
175.11903	6.7
185.12904	5.9
185.16484	6.3
189.12685	5.7
190.13107	2.7
199.18031	5.2
203.13928	6.1
206.11789	10.4
207.06506	2.7
207.10172	3.6
207.12111	18.1
207.13844	13.2
208.10594	2.6
208.14259	2.6
211.15591	2.0
213.16008	4.0
224.12820	49.1
225.10995	9.7
225.13107	90.2
225.16930	4.2
226.13380	3.3
227.17651	2.8
275.10074	1.8
370.25003	3.4
387.16476	25.2
387.27441	37.4
388.18320	5.1
388.26755	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
56.05027	2.8
58.06597	4.4
60.05650	3.1
67.05505	3.1
69.07065	8.4
69.16824	5.2
69.17248	9.4
70.02978	2.0
70.06589	31.9
70.37571	1.9
71.04964	2.4
71.06905	2.3
72.08157	45.1
75.69611	1.8
79.16039	1.7
82.06570	1.9
83.04960	2.5
84.04502	30.7
84.08145	72.8
85.02901	3.2
86.09708	100.0
93.06991	2.1
94.54647	1.8
95.04967	5.1
95.08593	8.0
98.23406	3.8
99.04448	1.9
101.07073	2.3
101.10788	3.4
105.07027	3.4
105.66869	1.7
107.68198	1.7
111.09245	2.8
112.08737	4.3
116.07083	3.8
119.08599	2.6
120.08091	4.8
121.27605	1.6
123.08092	3.7
129.10239	54.0
133.10097	2.2
137.87582	1.9
144.06554	37.9
146.11797	2.6
149.09604	2.7
157.13397	2.7
161.09221	40.4
185.12862	6.0
185.16510	4.5
187.10641	2.0
189.12764	2.7
197.16536	5.8
199.18044	5.9
203.13947	4.6
207.13741	8.6
213.15901	2.8
227.17590	3.1
242.18633	4.1
253.62706	2.0
259.20197	3.9
270.18253	2.0
274.17657	6.1
315.74002	2.1
338.19986	1.9
369.15472	2.4
387.16171	22.7
387.27179	17.4
388.26285	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33251	0.7
53.03955	1.2
55.05510	7.7
56.05032	3.4
57.03437	1.3
57.04773	0.8
57.05815	1.6
58.06618	1.0
60.04536	1.3
60.05648	2.9
61.02932	5.4
67.05516	2.3
69.03435	8.1
69.07069	5.8
69.10665	6.7
70.06593	28.5
71.04987	3.9
72.08155	77.3
73.08495	1.1
75.05610	1.2
75.52352	0.8
79.05502	2.2
81.03434	1.5
81.07059	2.8
82.06569	1.2
83.04967	0.8
84.04511	10.4
84.08145	65.3
85.02913	15.2
85.06532	1.0
86.09706	100.0
87.04476	1.7
87.10043	2.0
88.07698	0.8
89.84718	0.8
91.03966	1.1
91.05492	3.0
93.07050	2.6
95.04983	2.7
95.08617	2.4
96.08170	1.6
97.02893	4.7
98.06092	1.2
99.04468	0.8
101.10795	3.7
102.05558	1.8
103.05504	0.9
105.07035	4.8
107.08612	2.7
109.02873	2.9
109.06550	3.1
109.10170	1.0
109.11411	0.8
110.07180	1.2
111.08051	1.2
111.09255	1.0
112.08720	4.6
113.07111	1.0
114.09156	1.3
115.08736	1.8
116.07104	3.1
119.08584	4.6
120.08115	2.2
121.02885	1.0
121.06489	0.9
121.10143	2.8
123.08089	3.7
127.03927	3.6
127.08654	0.9
128.10712	2.2
129.10239	45.7
130.10631	1.0
131.08615	1.3
132.10242	2.1
133.06525	1.4
133.10147	3.1
136.07588	2.1
137.07996	1.4
137.09642	4.7
140.08229	0.8
143.08650	0.9
143.11815	7.9
144.06577	10.1
144.10175	1.1
145.04956	2.8
145.10187	1.5
146.11789	2.0
147.08138	1.1
147.11690	4.6
149.09554	3.8
151.07559	3.2
151.11223	1.6
152.14349	1.6
157.09758	4.2
157.10870	1.0
157.13356	4.3
159.11665	1.1
161.09218	8.0
161.13193	2.8
162.07635	8.3
163.11227	2.1
165.12801	4.7
167.03474	1.6
167.07065	3.1
169.13478	1.3
171.11302	5.0
171.14986	1.2
175.03993	1.1
175.11913	3.9
181.12187	1.1
181.37514	0.9
185.12909	4.8
185.16557	2.1
189.12737	3.9
193.09798	0.9
197.16415	3.9
199.18086	8.1
203.13957	3.5
207.06487	2.0
207.13828	7.8
211.14313	1.3
217.15494	4.1
224.17636	2.0
225.14818	48.7
226.15164	2.7
227.17595	2.8
231.17084	2.7
242.18616	4.6
256.16513	2.7
259.20245	2.8
270.18265	2.4
271.17868	0.9
274.18036	1.8
275.16049	2.7
288.19989	0.9
370.24973	1.0
387.08594	3.8
387.15979	2.7
387.19827	1.9
387.27148	15.0
388.22687	1.2
388.27014	3.4
388.31088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05512	6.0
56.67585	2.6
57.03440	2.8
58.06594	3.7
60.08923	3.0
66.57057	2.9
67.05494	6.3
67.12988	3.2
69.03423	13.7
69.07089	9.0
70.06596	45.0
70.57440	7.2
70.57796	4.5
71.04995	4.5
72.08156	60.1
79.05505	7.4
81.03403	3.7
81.07056	6.3
82.99715	3.1
84.04507	6.1
84.08156	23.4
85.02905	7.1
86.09704	100.0
89.30789	2.9
91.05490	5.2
92.84686	2.8
93.07033	3.3
95.04983	9.3
95.08593	5.7
97.02888	5.7
99.04399	3.0
99.60213	3.1
105.07052	8.4
107.08654	3.6
109.06535	3.0
112.08753	7.0
119.08649	4.9
121.10155	10.9
123.08092	4.4
123.09176	3.1
128.10774	6.2
129.10262	13.6
132.10223	7.9
133.10158	7.6
137.09648	5.2
139.11197	6.8
142.36925	2.8
144.10193	3.6
145.04994	3.2
147.11719	8.2
152.95985	3.9
157.13332	16.8
161.09589	4.0
161.13251	4.8
162.07639	6.8
163.11171	5.1
175.11836	3.5
185.12900	13.5
189.12798	7.1
199.18111	5.8
203.13983	8.3
207.06810	3.2
207.13805	24.6
208.14145	3.2
225.14906	10.9
244.05905	3.0
256.16486	4.5
304.73483	3.4
370.25226	4.1
387.08676	5.6
387.19601	4.3
387.26889	26.2
388.26932	11.2
388.31262	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	387.249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16312	0.6
55.05503	1.7
56.05024	1.1
56.90390	0.6
58.06596	3.4
64.74787	0.8
66.29788	0.8
67.05508	4.9
67.63556	0.7
69.07061	3.1
70.06596	19.4
70.27322	1.5
70.27691	1.2
72.08157	18.0
79.05486	2.3
81.07064	5.6
82.06594	1.5
84.04507	9.6
84.08150	3.7
86.06066	1.6
86.09707	8.7
91.05473	1.9
91.09357	0.7
93.07035	3.1
95.04973	2.1
95.08591	6.8
96.08135	1.8
97.06506	0.8
98.09673	1.6
102.05521	3.5
105.07044	1.5
107.08614	1.7
109.10182	1.8
115.01130	0.7
119.08527	0.8
121.10111	1.2
130.04997	3.2
135.56461	0.7
148.06075	2.1
171.14903	3.4
177.16356	0.9
189.12367	3.4
199.14490	2.4
221.20113	3.4
222.18526	37.1
223.18881	2.3
236.20222	0.7
239.21216	3.1
240.19576	36.3
241.19962	2.3
254.21175	2.5
258.20688	6.4
263.24939	0.9
323.23401	1.1
351.22748	1.0
366.63483	0.8
369.23785	11.4
370.24127	0.9
376.11655	0.9
387.24887	100.0
388.25272	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
53.91041	0.5
55.01877	0.6
55.05517	3.0
56.05027	2.1
56.70375	0.4
58.06606	4.7
59.25504	0.5
60.23712	0.4
67.05499	4.6
69.07063	2.3
70.06203	1.0
70.06593	19.8
70.79797	0.6
70.80116	0.7
72.08156	16.3
76.59714	0.5
79.05494	3.4
81.07058	7.7
82.06590	1.1
83.08605	0.7
84.04504	9.1
84.08150	2.8
86.06048	1.2
86.09212	0.8
86.09705	10.3
87.04487	0.6
88.05046	0.5
88.07623	0.5
91.05476	2.2
93.07052	2.9
94.06496	0.5
95.04964	1.4
95.08605	6.8
96.08141	2.1
98.09698	1.8
102.05540	3.4
103.68243	0.4
105.07008	1.4
107.08566	1.4
109.10161	1.7
109.34541	0.4
110.09676	1.1
112.11234	0.7
114.09145	0.8
115.73654	0.4
119.08594	0.9
121.10126	1.6
129.10194	0.7
130.05011	2.6
133.10143	0.7
134.70837	0.5
141.18304	0.5
145.10124	0.5
148.06078	2.6
163.11163	0.8
169.49588	0.5
171.14909	4.2
178.36920	0.5
185.16483	0.5
189.12312	3.8
199.14403	3.0
213.16026	0.5
221.20171	4.4
222.18521	46.7
223.18828	2.7
236.20033	1.2
239.21156	3.9
240.19572	38.3
241.19890	2.5
254.21133	2.4
258.20651	9.0
263.24771	1.2
272.22253	1.0
323.23389	1.6
325.24850	0.9
351.22772	1.2
369.23834	15.2
370.24213	1.8
387.24863	100.0
388.25232	8.4
392.33560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.1
57.03440	9.8
57.07072	13.5
59.05014	10.7
67.05510	24.5
69.03431	7.1
69.07067	15.3
69.24706	41.8
70.06593	17.9
71.49667	5.7
72.08159	19.9
72.91752	6.7
79.05497	36.9
81.07048	42.5
83.04980	17.0
83.08594	7.8
84.08141	10.4
85.06553	9.7
85.67834	6.0
86.09723	9.1
90.56808	5.6
91.05471	53.3
93.07040	68.4
95.04986	19.2
95.08610	48.1
97.06519	22.5
101.99525	6.1
105.07037	100.0
107.08591	59.0
109.06532	21.4
109.10183	12.8
117.07045	23.0
119.08584	94.4
119.82806	6.3
121.06537	13.6
121.10160	24.5
123.08092	46.8
128.06166	7.6
129.10237	11.8
130.07791	10.4
131.08562	46.2
133.06557	9.9
133.10114	60.9
135.08075	26.6
135.11729	16.8
137.09644	14.9
139.07553	58.1
143.08560	31.2
145.10132	51.8
147.08057	25.1
147.11699	23.4
149.09619	30.4
151.07541	80.8
155.08543	8.4
156.09303	10.2
157.10168	14.9
159.08049	6.6
159.11690	17.0
161.09593	34.8
161.13266	22.7
163.11223	14.3
165.09103	39.3
169.10181	8.3
171.11694	17.5
173.09634	8.2
173.13196	6.6
175.11220	8.4
176.11554	6.5
177.09152	12.3
179.10696	16.6
187.11101	6.0
189.12776	44.5
193.10280	6.7
197.13246	9.3
198.79340	5.9
203.14313	26.0
207.13794	31.0
213.12532	7.4
215.14290	9.3
217.12241	13.4
221.15367	88.2
232.37199	6.2
274.19342	10.7
287.20013	7.4
299.20261	7.1
307.19049	17.1
313.17935	7.3
369.24149	11.8
387.25241	84.3
387.32559	15.2
388.25299	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	387.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.86094	0.6
53.90104	0.6
55.01875	0.7
55.05513	0.7
56.05041	3.7
56.05283	0.6
57.03425	0.8
58.06600	3.4
60.05642	0.8
67.05492	1.8
69.03426	1.3
69.07074	3.9
69.11692	2.5
69.12120	2.7
70.06591	9.0
71.05004	0.7
72.08156	10.3
74.82865	0.6
79.05499	1.7
81.07061	2.4
83.06104	38.0
83.08637	0.7
84.04504	40.2
84.06451	0.9
84.08133	4.4
85.02900	2.7
85.04825	0.9
85.06565	0.8
86.06069	0.7
86.09705	100.0
87.10042	2.4
91.05486	1.5
93.07036	2.0
95.04974	3.1
95.08602	2.4
96.04473	1.9
97.02887	1.0
97.06531	1.0
97.76183	0.6
101.07134	7.2
102.05566	0.8
102.09205	1.0
105.07059	1.7
107.08612	1.0
109.06535	0.8
109.10146	1.0
109.36190	0.6
110.09695	0.7
112.08739	1.2
113.07119	3.6
116.07100	0.8
117.06997	0.6
121.06544	0.8
121.10147	0.8
123.08089	1.2
124.11217	1.8
129.06589	11.6
129.10243	2.2
133.10229	1.0
141.06592	6.4
144.10272	0.7
145.10110	0.8
146.11754	49.7
147.12108	1.1
151.07578	1.9
152.10707	8.1
155.11954	0.6
161.09593	0.9
163.11119	0.9
167.07002	0.7
169.13364	4.7
175.11891	0.9
181.12328	0.8
189.12732	0.9
196.14452	36.5
197.12866	20.8
197.14658	1.1
198.13197	1.0
207.13777	2.6
210.11362	1.0
211.15431	0.8
214.15506	20.1
215.13936	1.7
224.13943	19.1
225.12360	4.7
225.14510	1.3
225.17053	0.9
242.15005	8.0
242.46893	0.6
244.15729	0.6
257.16095	0.8
259.20175	2.7
274.18915	0.6
288.20087	0.7
338.20712	1.0
342.30103	1.6
360.31342	0.8
369.24738	14.4
370.24850	2.2
370.29559	0.8
387.15497	1.1
387.27182	6.8
387.32550	3.2
388.26617	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	387.2712
Annotation	Arg Ile Val
Peak:m/z	Relative Intensity
50.78255	0.4
55.05513	1.8
60.05644	10.3
68.05025	0.7
69.07059	0.6
69.40003	3.3
69.84462	0.5
70.06590	100.0
71.05002	6.2
71.06921	1.6
71.50746	0.5
72.08153	12.1
72.08543	0.7
73.16828	0.4
74.06078	0.8
83.06143	0.6
84.04510	0.9
84.08131	2.8
85.07649	0.7
85.57462	0.4
86.09701	19.3
87.10052	0.5
88.07656	2.6
93.49944	0.4
95.06091	2.1
97.07640	1.2
98.06046	1.9
98.20972	0.4
102.92471	0.4
110.07209	0.6
112.08723	23.9
113.07125	0.9
113.09047	0.8
115.08689	4.8
116.07110	1.8
127.08658	0.7
129.10211	2.2
130.09708	0.9
138.02632	0.5
138.12788	1.7
140.08185	5.0
141.06523	0.4
141.10252	0.7
142.09761	1.5
155.08089	0.5
157.09636	0.8
157.10844	6.2
158.09244	1.4
164.33519	0.5
165.13939	0.6
169.13414	0.9
171.11314	1.2
175.11890	7.0
178.12785	0.5
181.09698	0.7
182.16568	1.3
183.14920	6.7
185.16508	0.8
187.14360	0.8
189.12364	0.9
190.53519	0.5
199.10796	1.4
208.14494	1.3
210.16043	2.8
211.15686	0.9
212.17879	1.0
215.13811	0.8
225.17081	14.2
228.17145	1.3
229.15575	1.1
231.17049	1.5
236.50841	0.5
239.15106	1.3
242.19716	1.4
253.16611	1.2
257.16089	1.0
270.19131	3.2
271.17566	6.3
274.18695	4.0
288.20285	10.6
328.22427	0.6
370.24487	6.4
387.09045	1.8
387.27139	90.3
388.23242	0.8
388.27481	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	387.2714
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
55.05513	2.1
56.05041	0.6
57.70763	0.4
60.05650	12.0
64.84088	0.4
65.49505	0.4
66.88074	0.4
68.05035	0.4
70.06593	100.0
70.55096	0.4
70.55460	1.4
71.04992	7.7
71.06318	0.5
71.06928	1.8
71.56503	0.4
72.08155	15.1
82.06573	0.5
84.04502	1.0
84.08151	3.1
85.02878	0.6
85.07667	0.9
86.09705	9.6
88.07643	3.3
95.06084	1.2
97.07653	1.3
98.06055	3.0
100.07627	0.4
106.29552	0.4
106.85805	0.4
112.08729	24.5
113.07143	0.4
113.09078	0.6
115.08677	5.8
116.07082	1.7
124.11255	1.9
127.08631	0.4
129.10255	1.8
132.10220	0.8
140.08199	4.9
151.12367	0.4
152.10724	0.7
157.10844	8.3
158.09258	0.7
163.11124	0.5
168.14951	1.3
169.13365	8.2
175.11911	5.5
183.14940	2.0
185.16499	0.6
194.12900	1.6
196.14445	2.7
197.12903	1.4
198.11281	0.5
207.13826	1.0
208.14494	0.6
210.16089	0.4
211.15561	17.0
212.15916	0.5
212.17863	0.7
214.15462	0.9
215.13937	0.9
222.12300	1.0
225.03654	5.4
225.17093	3.4
228.18236	2.5
229.15419	0.6
231.17029	1.6
239.14996	2.2
256.17715	3.6
257.16089	5.9
258.98837	0.4
270.19299	0.9
271.17664	1.3
274.18744	10.4
288.20212	2.4
346.30701	0.5
359.64957	0.4
370.24457	6.8
371.24725	0.5
387.08908	1.8
387.27130	96.5
388.23346	0.5
388.27518	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	387.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90741	19.7
55.01868	30.8
55.05511	33.4
57.02332	16.9
67.05508	50.9
69.07055	19.5
69.67799	100.0
70.06582	18.9
71.08624	30.0
80.94849	52.5
81.07062	59.8
83.00321	18.0
83.08605	21.1
88.09705	19.7
91.05500	39.7
93.07034	33.2
95.08608	34.4
98.23379	23.5
99.08109	44.5
105.07042	24.2
107.08608	26.6
107.96767	21.9
111.08076	26.5
121.10168	19.7
135.11700	24.9
151.11229	31.8
163.11098	19.7
165.66788	18.5
181.69060	17.6
225.47058	19.3
277.21771	91.4
341.12079	21.8
351.25128	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	387.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
56.05037	3.4
58.06612	0.7
60.04490	0.5
60.05640	0.8
60.14400	0.5
67.05502	1.1
69.03429	1.3
69.07069	1.5
69.48049	2.9
70.06208	0.7
70.06588	9.4
71.04999	0.8
71.06920	0.6
72.08154	57.4
72.15225	0.4
73.08483	1.6
79.05467	1.1
81.07052	1.2
82.06580	0.8
84.04500	3.0
84.08140	100.0
85.02901	1.9
85.06548	0.8
85.08466	2.5
86.06087	0.7
86.09701	42.3
87.10024	1.0
88.04042	0.5
91.05482	1.4
93.07072	0.5
95.04970	1.3
95.08599	0.6
96.08109	1.3
98.22563	0.4
101.10780	5.3
102.09176	0.8
104.07095	0.7
105.07024	1.3
107.04916	0.5
107.08611	0.6
111.04443	0.4
111.09243	1.0
112.07597	0.6
112.08743	1.1
114.05478	0.6
114.09171	0.7
115.08710	0.7
116.07079	1.3
119.04931	0.6
119.08574	1.2
120.08116	1.3
121.08428	0.7
123.08049	0.6
123.11697	0.6
127.03915	0.5
128.10727	1.4
129.10234	74.6
130.10574	1.7
132.10202	2.1
133.10132	0.5
136.07565	2.0
137.07921	1.4
137.09636	0.5
139.85979	0.6
143.11789	1.3
144.06561	3.2
144.10208	0.5
146.10612	0.7
146.11755	5.7
152.14354	2.1
157.09720	4.7
157.13353	1.4
161.09303	3.0
167.07019	0.8
171.11368	0.5
171.14891	1.8
175.03937	0.4
175.11893	1.4
179.15535	0.6
183.14957	0.7
185.09358	0.6
185.12845	2.0
189.12642	0.9
193.09727	1.0
197.16475	6.1
199.14383	0.8
199.18051	1.3
203.13902	1.9
207.06317	0.7
207.08272	0.5
207.13754	0.8
208.14116	0.5
211.14384	1.7
224.17746	2.7
225.16225	2.1
227.17459	0.5
231.16940	3.1
242.18602	8.5
243.18930	0.7
256.14044	0.6
256.16434	3.3
259.20145	5.0
272.22101	0.6
274.18033	1.0
296.31870	0.5
369.12845	0.5
369.28152	0.6
370.25967	1.5
387.08401	0.8
387.15939	0.8
387.30200	14.2
388.18875	0.6
388.22726	0.8
388.26520	1.5
388.30408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42130	0.3
55.05506	0.4
56.05024	0.9
56.69122	0.3
57.55056	0.3
60.04499	0.3
60.05611	0.3
61.05727	0.2
67.05495	0.3
69.07059	1.0
70.06583	1.1
71.30521	0.3
72.08155	5.3
73.08465	0.3
78.95200	0.2
79.05472	0.3
81.07091	0.3
82.06602	0.3
83.06107	3.8
84.04502	16.7
84.08156	2.2
85.02882	0.3
86.09703	100.0
87.05576	0.3
87.09568	0.4
87.10026	2.2
91.05492	0.4
95.04989	0.4
97.06523	0.3
102.05539	5.0
102.06168	0.4
105.07043	0.4
109.06536	0.3
114.09115	0.3
116.07100	2.2
120.08101	0.6
128.10701	0.5
129.10239	1.7
130.10544	0.4
144.06551	15.0
145.06868	0.4
162.07614	28.7
163.07945	0.5
173.12863	1.6
189.12389	0.4
196.14445	2.6
197.95311	0.2
199.18050	26.7
200.18388	1.1
201.12344	0.4
224.13910	0.7
227.17548	8.3
228.17674	0.3
230.12987	0.5
231.17241	0.3
272.17575	0.3
275.15985	5.9
276.16342	0.4
370.29645	0.4
388.26428	1.8
388.30688	0.8
389.21417	0.5
389.30234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00501	0.3
54.12828	0.3
55.05508	0.5
56.05032	2.0
58.06588	0.7
64.30611	0.3
67.05501	0.5
68.18480	0.3
69.07066	1.9
69.63406	0.6
69.63810	1.5
69.80740	0.3
70.06588	1.5
71.32142	0.4
72.08149	2.8
74.35190	0.4
79.05483	0.6
81.07047	0.7
83.04972	0.3
84.04501	24.1
84.08141	1.8
85.02903	0.6
86.09702	100.0
87.10042	4.5
89.17262	0.3
94.07474	0.3
95.04969	1.1
95.08585	0.5
96.04475	1.2
102.05540	11.6
110.06028	0.3
113.07102	1.2
120.08078	0.9
124.11208	0.5
129.06592	3.4
129.10234	1.0
133.10121	0.4
141.06584	3.1
143.11772	0.9
144.06610	0.4
146.11752	45.6
147.12163	1.7
152.10716	2.3
158.38069	0.3
160.07603	0.5
160.83456	0.3
170.11729	3.5
197.12843	15.0
197.32817	0.3
197.43988	0.4
198.13193	0.9
202.08656	0.5
215.13902	29.0
216.14175	0.8
225.12306	5.2
243.13338	6.1
243.15601	0.6
244.06996	0.3
245.79344	0.4
259.20200	2.1
260.20367	0.5
269.14038	0.5
325.01410	0.3
369.78854	0.4
370.18060	0.4
370.24655	0.3
388.26678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.05021	1.0
60.04526	1.4
61.47865	0.7
69.07065	1.3
69.16187	4.2
69.16595	1.5
70.06592	9.1
71.06928	0.8
72.08155	14.0
73.06561	1.6
74.06090	0.9
79.05524	0.7
84.04496	1.6
84.08139	5.6
85.02895	0.9
86.09214	1.1
86.09709	16.1
87.04461	4.4
87.05598	0.8
87.10052	1.5
89.06034	100.0
90.06370	1.1
95.04978	1.6
95.08646	0.9
98.22596	1.4
98.62080	0.6
102.09114	0.6
105.07056	0.9
107.07076	1.5
119.08593	0.8
120.08102	2.6
121.93842	0.7
129.10243	3.1
131.07034	0.8
133.08609	59.1
134.08890	1.4
144.10185	0.7
157.09709	1.3
159.09166	1.0
170.06000	1.2
173.12883	2.6
175.09634	0.7
175.14880	1.0
177.11224	17.2
185.09154	0.8
188.06953	1.1
189.12399	1.5
191.14316	1.3
195.12183	0.9
201.12355	1.7
221.13887	2.5
226.11247	1.1
265.24908	0.7
268.34076	0.7
272.92972	0.8
277.31451	0.7
283.17502	2.6
327.20084	1.4
370.25784	1.1
371.22809	15.4
371.29651	0.9
372.23486	1.0
388.16806	3.4
388.26944	4.6
389.25381	0.9
389.30087	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	388.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28739	0.4
55.05515	6.4
56.05033	4.5
56.06208	0.4
56.96558	2.4
57.05818	0.8
60.05651	2.1
64.73015	0.5
67.05500	0.8
67.24473	0.4
68.05030	0.4
69.07070	1.1
70.06593	13.5
71.28761	0.6
72.08156	69.4
73.08490	1.6
74.06086	2.7
80.05045	0.4
82.06587	0.6
83.06108	4.8
84.04507	15.9
84.08144	100.0
84.96030	0.7
85.02924	1.1
85.07684	0.5
85.08484	1.4
86.09705	20.7
87.10033	0.9
90.61535	0.4
97.02901	0.4
97.99220	0.4
98.06072	0.6
98.97585	4.1
101.07137	5.7
101.10791	2.2
102.05549	2.8
102.09203	0.5
106.90398	0.4
110.07156	0.7
110.97559	0.6
111.09200	1.9
112.07616	1.1
112.08740	2.1
113.07133	0.8
115.08709	1.7
116.07095	2.0
116.98643	1.8
120.08156	0.8
127.08669	1.6
129.06601	5.2
129.10240	71.4
130.04987	7.6
130.08661	1.8
130.10620	1.1
131.11839	1.0
132.10220	1.5
134.99660	0.5
139.08682	1.2
141.06606	1.2
141.10211	0.6
143.11829	0.9
144.10194	24.9
145.02893	0.5
145.10519	0.6
147.07645	8.9
147.11314	2.1
148.06068	0.5
152.07057	0.6
152.10730	1.0
152.14381	0.6
155.08072	0.5
155.11874	0.7
156.11368	0.5
157.09723	1.1
157.13379	0.6
158.09286	1.3
161.12851	21.0
169.13470	0.6
171.11290	0.9
172.10844	1.0
172.94366	0.4
173.01237	0.5
173.12820	0.8
175.11943	3.2
176.12381	0.5
182.12938	0.7
183.11322	0.8
183.14990	0.6
186.12363	0.9
187.14449	0.9
189.12335	0.9
192.98756	0.6
193.98853	0.5
195.63181	0.5
196.14458	3.2
197.12935	3.3
197.16548	1.8
198.99263	0.5
200.10370	0.5
200.13936	4.2
201.14172	0.4
214.15552	1.5
215.13855	1.0
217.11856	0.5
219.01852	0.9
222.12393	1.3
224.14014	1.5
224.17653	0.6
225.12291	0.9
228.13486	0.6
228.17094	0.5
232.14024	0.7
232.96524	0.6
237.02895	0.5
238.48932	0.6
239.15060	1.1
240.13432	6.5
242.15010	1.9
242.18745	1.2
243.13568	0.8
243.17241	0.5
248.21425	0.4
258.10898	0.7
258.14670	1.1
259.14270	0.5
260.16498	0.9
260.19763	5.7
270.18298	0.6
271.17755	0.5
274.97446	0.5
276.16745	3.0
287.00751	0.7
295.21320	0.6
313.22400	0.9
316.11496	0.7
317.21851	2.7
334.14737	0.6
345.22534	0.6
353.22134	0.7
370.20749	2.1
370.24728	1.3
371.18961	0.4
371.23251	4.0
372.21924	0.9
388.25607	45.5
389.04852	1.0
389.15930	0.8
389.25043	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62374	0.5
51.02378	0.6
53.03935	2.1
53.42297	0.6
54.22457	0.4
55.01858	1.6
55.05506	1.8
57.03425	2.3
57.07090	0.6
58.06588	1.8
60.08164	11.6
61.51857	0.4
63.37844	0.4
64.86119	0.5
65.03959	0.5
67.05503	6.4
69.03393	0.5
69.07072	1.6
70.06587	1.6
70.08770	1.9
71.08641	0.6
72.08157	11.1
73.08479	0.5
77.03936	0.8
79.05495	6.3
81.03423	0.8
81.07063	6.3
83.05000	1.1
83.08619	1.3
84.08138	2.4
85.06515	0.6
86.06065	1.9
86.09699	0.7
91.05480	22.9
92.05798	0.7
92.88105	0.5
93.07048	7.8
95.04961	3.9
95.08610	5.4
99.04504	0.7
99.08099	0.8
105.03388	62.9
105.07021	6.6
105.71900	0.5
106.03727	1.9
107.04963	1.2
107.08604	2.9
108.08125	0.5
109.06530	2.2
109.10175	0.8
110.09647	0.6
111.08073	2.1
115.05448	0.9
117.06995	6.0
119.08571	3.0
121.06498	1.1
121.10171	0.9
123.08062	3.8
128.06190	0.6
129.06992	9.7
129.07870	0.8
129.10205	1.1
131.08539	3.0
133.06476	2.2
133.10127	5.3
135.11697	2.2
139.07538	1.1
141.06955	1.0
143.08545	3.9
144.13838	1.7
145.10109	2.8
147.08058	0.8
147.11681	5.4
149.09662	0.8
155.08565	1.6
157.10147	3.2
161.09552	0.5
161.13260	0.7
165.56853	0.6
169.10118	1.3
171.11690	8.5
172.12042	0.5
173.09599	1.0
173.13289	1.1
181.10126	1.0
191.14429	0.7
197.13214	0.6
199.11172	0.6
207.11755	0.5
217.12331	0.7
249.16373	1.2
253.15889	0.6
293.19028	0.9
311.20142	2.4
370.32928	2.7
388.28482	100.0
389.28888	11.1
389.34070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38865	1.2
56.42896	1.2
58.45297	1.1
60.05659	7.7
64.87675	1.2
70.06591	29.9
70.30283	1.3
70.54533	2.8
71.04974	1.3
72.08149	3.3
83.00963	5.0
84.04497	2.0
84.08151	2.7
86.09688	4.3
94.18903	1.1
97.07667	6.0
101.02003	7.0
102.05508	1.2
112.03591	8.6
112.08728	1.4
116.07054	2.3
118.04642	5.3
119.01933	1.6
119.03051	1.7
127.07144	1.3
128.05608	2.4
130.04643	5.1
132.06178	1.6
140.06670	3.1
142.08235	8.0
145.03453	5.0
146.06602	1.7
150.05136	1.3
152.06598	3.0
153.05043	2.5
154.08237	5.1
155.06670	12.3
156.05064	4.6
158.07782	2.3
158.09225	1.5
160.09290	5.3
168.06151	5.1
169.04634	1.3
169.09352	24.9
170.07750	5.6
170.09177	1.5
171.06175	6.5
171.10912	53.7
172.09303	15.0
172.10867	1.9
173.07712	41.4
173.09169	1.4
174.06197	1.7
174.07834	3.4
175.11957	6.5
179.07654	2.8
180.06207	1.4
186.07225	3.7
187.05612	4.0
187.10429	13.4
189.11978	47.1
190.12067	2.4
196.08107	2.7
197.08913	20.7
198.07249	4.9
198.08897	1.7
199.09286	5.9
206.06711	1.3
210.12085	1.3
215.09929	100.0
216.08263	11.7
216.10085	7.6
221.07747	2.0
223.09256	44.1
224.09538	3.6
225.07118	3.0
231.06049	1.4
233.10948	51.5
233.13310	2.4
234.11111	5.1
238.11522	2.9
239.08629	2.5
241.10330	17.7
243.08302	3.4
249.07176	9.4
255.12984	4.6
257.10876	3.1
265.08606	2.7
265.11462	46.0
266.11661	5.1
267.08179	12.3
283.12521	12.1
285.10489	10.2
286.10516	1.7
291.09341	5.8
301.13306	1.5
302.89102	1.8
303.11526	3.3
309.10422	23.0
327.11450	15.1
335.08459	7.6
353.09329	20.3
354.09561	2.5
371.10480	14.3
372.10773	1.7
389.11478	26.0
390.11670	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01869	3.0
55.05513	26.6
57.03428	2.2
57.07068	3.1
58.06608	2.1
65.03944	2.4
67.05505	15.4
69.03430	77.1
69.07064	3.9
69.14391	1.2
70.06585	4.3
70.75146	1.2
71.04969	2.0
71.11570	2.6
71.15567	1.1
72.08160	8.1
79.05497	13.9
81.03414	32.1
81.07062	14.5
82.46952	1.4
83.04980	66.1
84.05331	1.5
84.08150	2.6
84.12443	1.2
88.07630	1.3
91.05480	36.9
92.05757	1.9
93.07040	15.0
95.04969	13.3
95.08601	14.2
97.02926	2.2
97.06521	3.1
103.05489	1.5
105.07031	30.6
107.04942	4.8
107.08578	12.6
109.06499	8.2
109.10146	2.4
111.04439	100.0
112.04723	2.3
115.05460	5.2
116.06229	2.4
117.07024	29.6
119.04934	3.0
119.08584	23.9
121.06501	5.1
121.10152	6.2
123.08105	2.2
125.05993	1.8
128.06219	8.5
129.07019	15.8
130.07770	4.2
131.04919	3.6
131.08562	51.2
132.08920	1.8
132.10214	2.2
133.06505	5.5
133.10085	9.4
135.08052	6.4
135.11668	3.0
137.05869	1.6
141.07025	8.4
142.07791	9.1
143.08569	23.3
144.09300	4.2
145.06476	6.6
145.10117	36.6
146.11755	1.4
147.08043	4.7
147.11653	4.9
149.09630	4.6
149.13289	2.2
153.06989	6.0
154.07779	2.8
155.08539	17.8
156.09389	7.7
157.06572	1.8
157.10118	20.9
158.10921	6.5
159.08057	5.9
159.11670	14.3
161.09608	5.5
161.13252	4.5
163.11201	2.7
163.14822	2.0
165.07018	4.1
165.09109	4.8
166.07729	4.1
167.08565	8.7
168.09340	8.1
169.10100	9.2
170.10838	2.2
171.08118	2.8
171.11674	15.4
173.09651	7.7
173.13260	74.8
174.13611	2.9
175.11171	3.0
175.14874	2.5
177.01503	1.3
177.12903	1.2
178.07782	1.9
179.08560	6.2
180.09352	3.0
181.06516	1.3
181.10123	9.0
182.10905	2.3
183.08128	2.0
183.11685	15.1
185.09650	2.6
185.13286	3.8
187.11177	2.2
189.12743	10.0
191.08827	2.0
191.10701	6.7
191.14380	5.2
192.09331	3.5
193.10127	5.5
194.10718	1.5
195.08130	2.1
195.11710	5.3
197.09578	2.8
197.13243	5.7
199.11192	6.3
201.08989	1.5
201.12729	17.4
202.13120	1.5
203.08412	1.3
203.14314	2.1
205.10110	2.3
207.11687	4.3
209.09639	1.9
209.13257	2.7
211.11241	2.5
217.10204	3.2
217.12222	3.2
219.08156	1.7
219.13791	18.1
221.13226	3.4
223.11209	2.7
225.12743	2.5
228.22989	1.3
229.12253	5.3
232.12497	2.7
235.14909	1.9
237.12671	2.9
237.16394	4.1
247.15028	3.6
265.15817	5.7
267.13681	2.2
283.16766	4.1
293.15366	2.3
311.16321	8.5
325.28278	1.4
328.32086	3.2
329.17429	5.9
347.18460	8.2
369.47565	1.5
372.32654	4.5
389.19278	29.2
389.23264	3.7
390.19855	2.5
390.35052	11.4
414.11060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52205	1.8
53.03948	5.6
55.01861	4.9
55.05267	2.1
55.05513	19.8
57.07057	2.1
57.45119	1.5
58.06599	2.0
62.07439	1.7
65.03948	3.8
67.05502	15.4
69.03429	59.5
69.07048	4.1
69.27018	5.5
69.27428	7.3
70.06587	4.3
72.08155	43.5
79.05494	13.4
81.03413	32.8
81.07062	16.9
83.04980	57.7
84.08138	5.1
86.09702	2.8
91.05478	27.6
93.07048	14.6
95.04965	100.0
95.08600	12.5
96.05309	1.7
97.06529	3.8
98.23375	2.8
99.04449	2.4
102.09158	10.2
103.05460	3.1
105.03388	5.4
105.06368	2.9
105.07020	29.0
107.04943	4.3
107.08587	13.8
109.06502	7.3
109.10186	3.6
111.04440	86.1
115.05447	6.0
117.07023	23.3
119.08572	19.9
120.64058	1.6
121.06464	4.6
121.10116	6.4
122.09647	3.2
123.08059	4.0
128.06192	8.1
129.07024	14.8
130.07744	3.7
131.04936	1.6
131.08568	44.6
133.06487	7.4
133.10138	9.5
135.08032	4.6
140.18994	2.0
141.07007	8.4
142.07803	9.8
143.08562	18.7
144.09261	2.7
145.06461	6.3
145.10110	30.6
147.08009	4.9
147.11697	2.9
149.09625	4.4
149.13254	2.8
153.06990	4.4
155.08575	12.6
156.09329	8.3
157.10121	17.9
158.10849	5.4
159.08055	7.1
159.11656	8.9
161.09601	5.1
163.14810	2.3
165.07016	5.1
165.09114	4.6
166.07811	2.9
167.08527	6.2
168.09344	7.4
169.10101	10.8
171.08025	3.2
171.11696	17.0
173.09645	6.1
173.13258	55.0
174.13554	2.5
175.11221	3.9
175.14839	2.8
179.08519	5.0
181.10132	8.0
183.08025	2.1
183.11674	15.4
185.09633	2.5
185.13235	4.3
187.11198	4.5
189.12730	8.6
191.10690	8.7
191.14311	4.6
192.09288	2.1
193.10121	5.5
195.08220	1.8
195.11780	8.1
197.09531	2.4
197.13249	3.8
199.11113	4.0
201.12775	15.8
202.13258	1.7
203.08656	2.9
205.10260	2.3
206.10933	3.2
207.11775	4.4
209.09679	2.2
209.13208	4.1
211.11137	2.2
213.12660	2.6
217.12233	2.4
218.10840	3.0
219.13744	16.0
221.09698	2.3
221.13293	3.2
229.12157	2.4
232.12468	2.0
237.16502	3.0
245.15649	2.3
247.13153	4.6
251.14101	1.9
261.14621	2.5
265.15970	4.9
283.16861	4.8
311.16351	7.2
329.17508	6.6
347.18506	4.3
354.24252	4.0
372.25333	22.4
389.14743	2.9
389.19455	24.5
389.24075	3.5
389.29880	2.0
389.34659	1.9
390.18854	1.9
390.26266	35.3
405.57791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42982	0.8
54.77130	0.7
55.05507	2.2
56.05026	2.2
57.03434	2.0
57.05791	0.7
58.06602	2.2
58.37181	0.9
60.05677	0.7
60.62251	0.7
61.02913	1.0
67.05503	5.8
68.05853	0.9
69.03443	2.1
69.07060	2.7
70.06593	7.3
71.04994	2.5
71.07391	0.8
72.08158	81.6
73.08501	1.5
79.05502	3.5
81.03426	1.4
81.07061	9.7
82.07399	0.9
83.05004	1.1
83.06095	1.1
83.08634	1.1
84.04481	0.7
84.08154	6.7
85.02901	2.4
85.06544	2.6
86.09707	100.0
87.10040	1.7
91.05476	3.1
93.07047	4.6
95.04971	36.7
95.08604	4.2
96.05302	13.6
97.06517	2.1
98.09676	1.0
98.22643	2.0
99.04461	0.9
102.09188	9.0
103.09544	1.5
105.07027	1.3
107.08596	2.4
108.02364	0.8
108.08931	0.8
109.06542	0.9
109.10152	2.1
110.07177	0.8
111.04461	2.5
111.08074	0.9
112.08724	1.0
115.05397	1.1
117.07040	1.1
118.06549	11.4
119.08638	1.2
120.08109	3.6
121.10139	1.8
122.09660	1.1
123.11720	2.6
124.11237	2.5
127.03952	0.7
128.10724	3.6
129.10199	1.3
130.06546	2.8
132.08101	8.1
133.08456	0.9
133.10126	2.0
137.05946	0.8
142.06522	2.0
142.42436	0.7
143.07304	1.4
144.08099	9.0
145.10210	1.0
146.06009	41.8
151.11218	1.0
157.13368	47.5
158.13713	1.5
159.09186	19.9
160.09523	1.0
161.21999	0.8
165.12662	0.8
170.06006	3.8
185.12863	13.8
187.08711	0.9
188.07068	93.6
189.07350	5.9
205.09735	49.6
206.10069	2.9
216.93896	0.8
223.16931	1.1
227.12787	1.1
230.65627	0.8
240.19292	0.8
272.17606	2.0
280.19980	1.8
307.24405	1.4
308.25601	1.1
318.18304	3.4
325.25690	3.4
326.27051	2.1
328.28665	1.1
344.27960	1.9
354.26349	1.6
371.25781	7.1
371.30319	1.5
372.27371	13.1
372.31509	1.3
389.19550	1.6
389.27036	25.1
390.28473	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	3.6
71.29063	1.5
71.69358	1.1
80.94836	1.6
88.07633	1.9
111.37695	1.1
114.48324	1.1
132.10258	1.7
141.03159	1.1
143.06046	1.2
145.78658	1.0
146.11807	1.6
198.35863	1.2
213.08344	1.1
242.58374	1.1
284.29507	1.8
328.32217	6.9
349.16888	6.7
389.12241	7.9
389.22986	100.0
390.23343	8.4
390.35703	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	389.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
58.06610	0.4
60.04521	2.3
61.19864	0.3
63.61058	0.4
66.98862	0.4
67.05527	0.9
69.07078	3.6
69.72614	1.9
70.06594	3.9
72.08153	8.3
73.08490	0.4
74.06065	0.7
75.05601	4.5
78.77350	0.4
79.05477	0.5
81.07038	0.5
84.04492	0.8
84.08147	2.6
86.09705	100.0
87.05607	1.2
87.10028	2.0
88.04027	0.4
89.24603	0.4
91.05482	0.4
93.07046	0.4
95.04952	0.5
95.08598	0.5
98.22682	0.7
105.07066	0.6
110.07156	0.5
116.07081	0.9
120.08112	1.0
126.09154	0.8
128.10753	0.7
129.10274	1.0
131.30745	0.4
143.11790	20.7
144.10193	2.9
144.12141	0.9
171.11284	10.8
171.12662	0.8
173.12849	6.8
183.15254	0.4
183.17194	0.4
189.12329	5.0
201.12329	6.6
201.14093	0.5
219.13397	13.4
219.15527	0.8
220.13799	0.5
239.17621	1.4
246.12274	0.4
255.21504	0.5
273.22635	0.8
274.11768	0.4
284.19650	2.4
314.20718	0.5
349.29929	0.5
371.22845	1.3
371.29117	1.1
389.10291	0.5
389.17557	0.8
389.24783	1.8
389.30215	4.1
390.24329	0.6
390.28857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2396
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
54.90461	1.7
60.04515	1.5
69.07067	7.2
70.06590	7.3
71.28781	2.5
72.08159	21.9
74.09815	1.7
75.05616	4.7
84.04537	1.8
84.08143	3.9
84.88538	1.3
86.09708	100.0
124.23034	1.5
130.06512	1.5
143.11806	19.9
157.10875	1.9
171.11290	8.3
187.14449	6.4
215.14093	2.4
219.13387	13.1
344.04166	1.5
372.27438	2.0
389.14096	34.1
389.18393	1.9
389.25238	2.9
389.30453	3.7
390.14713	1.8
390.28464	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	389.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94766	3.3
73.71977	3.8
80.95570	3.9
84.35100	3.8
99.31448	3.8
116.98755	4.3
135.59169	3.6
223.06943	3.9
371.25531	100.0
372.25748	6.7
389.26639	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	389.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26868	0.4
55.05505	2.2
57.07073	6.0
64.66180	0.4
65.03937	1.6
67.05508	1.0
69.07071	12.0
69.33462	1.1
69.33866	2.1
71.08633	6.9
81.07054	1.5
81.65664	0.4
82.63887	0.5
91.05442	0.5
93.03394	0.8
94.79013	0.4
95.08601	1.3
98.23317	0.9
107.08601	0.5
109.10157	0.8
111.11712	1.0
121.02861	4.4
121.03655	0.5
121.04045	0.6
145.58179	0.4
149.02342	100.0
150.02724	3.8
163.03944	0.7
167.03389	9.5
170.67525	0.5
188.18375	0.5
190.05070	0.8
241.12212	0.6
389.17819	1.4
389.31302	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	389.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.2
56.05030	3.5
57.03428	1.0
62.36269	0.5
67.05511	3.3
69.07075	0.9
69.47698	3.0
70.06592	5.5
71.04995	1.1
72.08157	100.0
73.08493	1.8
79.05495	1.4
81.07073	3.3
84.08159	3.3
86.09704	4.5
91.05486	1.7
93.07063	2.3
95.04979	1.1
95.08614	2.1
96.08096	0.6
97.06533	1.4
100.69871	0.5
105.07055	0.8
107.08590	1.1
107.12585	0.6
109.06552	0.7
109.10155	1.4
119.89771	0.5
120.45950	0.7
121.10136	0.9
124.11267	3.1
129.10257	0.8
168.13806	3.2
181.39166	0.6
222.09119	0.8
222.18575	2.5
240.19501	2.9
262.21655	1.2
280.22665	4.2
308.25760	1.8
310.27316	1.5
322.29910	0.7
326.26971	2.2
328.28433	2.5
344.27921	4.1
353.27911	1.4
354.26755	0.9
371.24432	1.0
371.29050	18.8
372.28931	1.3
389.17798	1.5
389.25818	2.8
389.30106	58.7
390.30606	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98270	1.3
53.03941	3.3
56.89817	1.2
58.99862	13.9
59.10429	1.3
70.06590	3.9
70.99856	1.8
71.28028	1.6
72.08161	3.7
75.15141	1.2
77.00910	6.0
81.03413	3.5
82.99866	4.3
84.04509	3.0
84.08146	7.6
85.01406	1.4
86.09697	6.1
89.00912	1.4
101.00885	42.6
110.07205	1.5
113.00893	9.8
115.02441	3.4
119.01918	41.1
119.99102	1.1
121.24088	1.3
123.02929	2.3
129.04004	4.2
129.10245	4.5
131.01897	26.0
133.03453	5.7
137.02922	2.0
139.02388	2.4
141.03978	11.3
143.01921	8.4
145.03471	2.5
147.05017	1.7
149.02937	2.5
153.03925	2.4
155.01901	7.4
155.05589	1.5
157.03447	12.5
159.05013	20.2
161.02974	7.9
165.04045	3.1
167.01894	11.9
167.05650	1.5
169.07115	5.7
171.05016	1.8
173.02969	12.8
175.04533	7.8
175.11888	2.2
177.06085	12.4
177.67342	1.2
181.03473	9.1
183.05042	26.5
185.01297	2.9
185.02950	47.8
187.08159	4.4
195.05040	5.7
196.04359	1.5
199.04524	49.1
201.06094	9.7
203.04007	40.8
209.02968	8.1
210.14836	1.7
211.00929	1.9
211.04559	5.4
213.06102	5.9
217.05621	2.2
221.05061	6.1
227.03996	83.3
228.06351	11.7
228.15981	4.8
229.02019	8.0
229.05681	4.1
239.03922	6.7
245.05067	44.8
245.07622	1.8
247.03114	2.9
250.05870	1.6
253.02010	3.8
256.89487	1.4
257.05075	3.9
269.05127	1.6
271.02991	100.0
283.02939	17.3
289.04065	14.1
301.04071	31.7
301.07446	2.2
308.20352	1.5
313.04126	2.0
319.05051	2.7
331.05106	7.6
373.06186	4.9
390.11591	97.9
390.21164	7.4
391.06763	13.8
391.11615	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58548	0.7
55.05508	2.0
56.05035	1.6
58.06593	1.8
67.05502	3.8
69.03437	1.5
69.07060	1.0
70.00500	3.1
70.06578	5.7
70.41480	0.9
72.08154	100.0
73.08489	2.4
79.05489	2.0
81.07062	5.0
83.04943	1.2
83.08606	1.1
84.08134	3.1
86.09702	2.0
86.69414	0.8
87.77919	0.8
91.05479	13.5
93.07047	3.4
95.04965	42.0
95.08610	4.1
96.05302	1.2
97.06522	1.7
98.09667	2.0
98.22797	1.0
100.11268	1.3
102.09184	7.3
102.43708	0.9
105.03395	5.0
105.07027	3.7
107.04947	2.2
107.08592	2.9
109.06512	1.1
109.10190	0.9
110.07159	1.4
117.07011	1.7
119.08562	2.3
120.08116	1.8
120.19862	1.0
121.10147	1.6
122.09675	2.8
124.11226	2.9
129.07001	3.0
129.10239	1.7
131.08562	2.1
133.10126	2.7
135.08061	1.2
135.11710	1.0
140.10716	8.0
141.06914	1.2
144.94481	1.2
145.10052	1.1
146.52318	1.0
149.02367	3.2
156.82768	0.8
157.10144	1.6
169.10133	1.5
171.11691	2.3
175.14832	4.2
182.15364	0.8
193.15923	1.2
217.13692	0.9
228.04860	1.0
269.15430	0.9
309.18460	1.7
354.24271	3.4
359.12466	5.0
372.25339	21.4
373.25735	2.1
390.26318	78.3
391.16507	1.1
391.26761	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	390.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05508	2.1
56.05033	3.9
57.03442	1.0
57.07073	1.0
58.06602	100.0
59.06940	1.7
62.68594	0.4
64.93168	0.4
67.05499	3.8
68.30098	0.4
69.07084	1.4
70.06596	2.0
71.07841	0.5
71.08188	0.7
71.08641	0.4
72.08170	1.6
79.05509	2.6
81.07059	6.7
82.06596	1.4
83.04993	0.9
83.08626	1.6
84.08150	0.7
85.06557	1.2
86.06078	0.6
86.09723	0.6
91.05480	20.7
93.07035	3.4
95.04977	2.6
95.07375	1.0
95.08600	4.9
97.06524	2.7
97.10213	0.5
102.05550	8.1
102.06236	0.4
105.07040	5.0
107.08641	1.8
108.08127	1.5
109.06482	0.4
109.10189	1.5
110.09681	9.7
114.05531	4.7
115.05415	0.5
117.07024	11.3
119.08618	1.9
121.06535	1.4
121.10175	1.3
123.11718	1.0
126.00478	0.4
126.12811	0.4
128.06206	0.8
129.07001	3.0
131.08572	12.8
132.10243	0.5
133.10165	1.3
135.08128	0.5
135.11705	0.9
137.13231	2.0
141.07030	0.5
142.07799	0.8
143.08578	4.5
145.10123	6.3
146.11763	0.4
147.11673	0.7
149.02414	1.0
152.07109	1.8
154.73746	0.4
155.08644	1.0
156.09361	0.7
157.10120	3.3
159.11691	5.3
161.09695	0.7
165.06996	0.6
169.10161	0.8
170.11876	0.6
171.11681	2.9
173.13277	0.6
179.08583	0.5
181.10159	1.1
183.11743	0.5
185.13322	1.8
193.10175	0.8
195.11783	1.0
197.13405	1.3
199.11263	0.5
203.14355	0.7
207.11761	0.8
209.13295	0.5
221.13322	0.9
225.12868	0.5
232.12360	0.5
241.19615	1.3
245.63039	0.5
259.20572	3.7
275.18024	0.5
282.19861	0.6
284.29623	0.6
297.22241	0.8
310.25436	1.1
328.26318	5.4
328.32016	2.0
346.27469	1.0
354.24503	1.9
372.25314	8.5
372.32504	0.8
373.25745	2.6
390.36087	4.7
391.24506	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05508	0.4
56.05032	0.8
57.03424	0.3
58.06588	0.9
65.03938	0.8
67.05510	2.2
69.03423	0.3
69.07072	0.3
69.32372	0.2
70.06582	1.5
71.04997	0.5
72.08154	16.7
79.05483	0.9
81.05785	0.3
81.07044	0.9
83.04984	1.3
84.08147	2.1
85.06533	0.3
85.08923	0.6
86.09705	0.4
87.06848	0.3
88.51039	0.2
91.04908	0.4
91.05473	5.8
91.06011	0.4
95.04967	100.0
95.08606	0.6
96.05300	2.7
96.08116	0.9
97.06538	0.9
98.09683	0.7
102.09177	11.9
105.03407	0.8
105.07027	3.1
107.04967	2.3
107.07359	0.4
107.08559	0.2
109.06513	0.8
109.10158	0.3
110.07156	0.4
111.04451	0.7
111.08055	0.4
115.05461	0.5
117.07008	2.4
119.08607	0.8
119.38327	0.3
120.08116	0.5
121.06541	0.3
121.10156	0.4
122.09675	4.5
123.08058	0.3
123.10458	1.0
124.11284	0.3
128.10696	0.4
129.06999	4.1
129.07886	0.3
129.10210	0.4
131.08571	1.1
133.06467	0.5
136.11139	0.3
139.07527	0.8
140.10706	1.9
141.07037	0.3
142.07799	0.3
143.08522	0.8
145.10132	0.6
147.08061	3.2
149.02312	0.6
155.08537	0.3
157.10121	3.0
158.10536	0.2
165.09100	0.3
169.10086	0.4
171.11650	1.4
175.11229	0.3
181.10072	1.4
183.11823	0.3
189.12778	0.4
192.13834	0.5
199.11250	0.4
209.13190	0.4
210.15015	0.4
217.12141	1.6
227.14322	0.4
245.15376	2.5
284.66821	0.3
291.17316	0.4
309.18500	2.0
310.18793	0.3
327.19513	1.0
354.24265	4.2
355.24561	0.5
372.25311	27.2
373.25653	3.3
390.26364	31.7
391.26700	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	390.264
Annotation	Daphnioldhanin A
Peak:m/z	Relative Intensity
53.50204	0.9
67.05508	2.3
70.03010	2.1
70.03402	2.1
84.08168	2.0
91.05483	2.7
95.04969	100.0
96.05305	3.6
100.11223	1.1
102.09180	11.1
105.03383	10.4
106.70970	1.0
111.04466	1.8
122.09671	3.5
129.06989	2.0
134.35609	1.2
140.10745	1.1
149.02322	5.5
154.02180	1.0
171.11746	2.2
272.06372	1.0
354.24304	4.4
372.25330	21.3
373.25833	1.6
390.26367	27.6
391.26721	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	390.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.05027	0.4
57.03432	0.3
58.06590	0.9
65.03931	0.7
67.05512	2.2
70.06586	0.7
72.08149	4.1
79.05486	0.4
81.03423	0.6
81.07064	0.5
82.98154	0.2
83.04955	0.4
84.08146	1.8
85.08914	0.9
86.09708	0.3
91.05478	5.1
95.04967	100.0
96.05293	2.5
96.08133	0.7
97.06493	0.3
97.25575	0.3
98.09698	0.8
102.09176	11.1
103.09514	0.3
105.03394	3.0
105.07034	1.0
107.05003	0.4
109.06476	0.5
110.09653	0.3
111.04440	0.4
115.05476	0.5
117.07012	6.9
121.10111	0.3
122.09669	3.6
123.10458	0.8
129.06998	2.2
131.08560	1.0
133.06523	0.9
135.08043	0.4
136.11230	0.6
139.07544	0.3
140.10683	1.7
141.06949	0.5
143.08546	0.6
145.10074	0.2
145.95718	0.2
147.08167	0.3
149.02371	0.3
149.09604	0.5
151.07629	0.4
155.08565	0.8
157.10118	1.6
161.09605	0.8
167.08551	0.7
171.11707	1.0
181.10095	1.3
182.31984	0.3
199.11220	0.7
209.13205	0.4
213.12735	1.0
217.12198	0.4
230.23871	0.4
233.91496	0.3
245.15387	4.2
246.15715	0.3
257.15521	0.3
269.15369	0.3
309.18423	2.0
327.19565	1.7
354.24255	4.1
355.24756	0.6
372.20233	0.4
372.25308	24.7
373.25705	2.5
390.26364	31.8
391.26624	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	390.2638
Annotation	Daphnioldhanin A
Peak:m/z	Relative Intensity
55.01873	0.7
55.05507	0.7
56.05030	0.5
56.40847	0.2
57.03446	0.2
58.06590	1.0
60.46840	0.2
65.03932	0.8
67.05511	1.9
69.03434	0.3
69.10722	1.6
70.06598	1.7
71.04974	0.3
72.08151	12.7
73.08494	0.3
74.06028	0.2
79.05474	1.0
81.07049	1.3
83.04993	0.4
84.08144	2.4
85.08921	0.6
86.09699	0.7
91.04892	0.5
91.05474	10.8
92.05812	0.4
93.07029	1.5
94.06541	0.2
95.04964	100.0
95.08581	0.8
96.05300	2.7
96.08130	0.8
97.02892	0.4
97.06536	0.4
98.09679	0.9
99.04441	0.4
100.11220	0.5
102.09177	12.2
103.09509	0.3
105.03396	0.7
105.07027	13.8
106.07375	0.4
107.04958	0.6
107.07347	0.3
109.06497	0.8
109.08875	0.2
109.10212	0.3
110.07182	0.4
115.05453	0.3
117.07014	1.1
117.17342	0.2
119.08595	0.6
121.02874	0.3
121.06500	1.7
122.09665	4.4
123.08051	0.4
123.10471	0.9
124.11253	0.5
128.10725	0.2
129.07010	2.8
129.10211	0.3
131.08583	0.5
133.06474	2.0
133.10127	0.3
136.11215	0.6
137.05997	0.3
140.10689	1.9
141.06987	0.4
143.08556	0.8
145.10083	0.3
149.02342	1.1
155.07004	0.5
161.09604	0.5
167.08652	0.3
171.11674	3.7
172.11902	0.2
173.13329	0.2
175.02826	0.2
177.12709	0.4
181.10112	0.7
199.11220	0.5
201.12671	0.3
209.13225	0.5
227.14403	0.4
245.15366	0.4
269.15381	0.2
291.17557	0.5
309.18460	2.4
327.19547	0.4
333.74417	0.3
354.24249	4.3
355.24713	0.3
364.22006	0.3
372.25302	27.9
373.25644	3.0
390.26337	45.6
391.26675	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	390.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48596	0.5
53.03946	0.7
53.24166	0.6
54.24097	0.6
55.01889	0.8
55.05508	2.1
56.05038	3.3
57.03447	1.9
58.06606	4.8
61.01137	0.7
67.05508	11.0
69.03428	8.7
69.07081	3.8
70.06594	6.0
71.04983	3.0
72.08158	48.6
73.08484	1.0
79.05495	5.2
81.03434	1.5
81.06582	1.4
81.07059	19.9
82.07427	0.8
83.04980	1.2
83.08610	1.5
84.04504	11.0
84.08140	6.1
85.02911	1.6
85.06568	2.9
85.08949	1.7
86.09709	38.4
87.10049	0.7
91.05479	4.0
93.07037	4.4
95.04990	2.1
95.08607	12.2
96.08140	1.4
97.06551	2.6
97.10146	0.8
98.09724	1.8
99.04464	2.4
102.03753	0.6
102.09183	59.5
103.05482	1.1
103.09571	1.6
104.05341	2.2
105.07021	3.7
107.04965	1.6
107.08628	1.6
109.02893	0.7
109.06555	2.9
109.10180	1.1
110.07168	0.8
110.09615	0.7
111.04449	16.0
111.05198	1.0
119.08595	3.7
120.08109	39.6
121.02907	1.0
121.06561	0.8
121.08468	1.7
121.10159	2.1
122.09693	0.7
123.04462	0.8
123.08114	0.8
123.11728	2.0
124.11269	2.1
125.05995	1.4
127.09908	0.7
129.10266	1.3
131.05032	0.7
131.08623	1.1
132.10211	18.1
133.10149	1.3
135.04509	0.7
136.96463	0.6
137.06010	0.8
137.13206	0.7
140.10661	0.7
143.08546	0.7
144.10242	0.8
145.10153	0.7
147.11734	2.2
149.02368	1.5
156.13831	1.3
163.07561	1.5
165.12775	1.1
166.08704	2.6
174.11197	0.6
175.11292	0.7
186.09120	2.8
187.06013	0.8
188.07057	0.9
189.07431	1.2
197.12982	0.8
205.05054	0.7
215.12181	1.3
231.11304	10.0
259.10803	1.5
264.87540	0.7
291.19724	2.1
307.06131	1.1
308.25964	1.1
309.20602	1.1
321.07523	0.9
328.22595	1.2
345.07529	0.8
349.06772	0.8
354.26337	2.3
363.08743	1.0
372.27631	12.6
373.27765	1.2
390.28598	100.0
391.08136	7.1
391.28967	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.285
Annotation	Sphingofungin B
Peak:m/z	Relative Intensity
52.50022	0.8
55.05515	7.6
57.03421	1.9
57.05788	1.1
57.07066	1.4
65.05038	0.8
65.60122	0.7
67.05505	7.0
69.07052	1.2
70.06573	3.0
70.60776	2.3
71.04975	1.8
72.08157	100.0
73.08485	1.7
75.59126	0.8
79.05474	2.8
81.03392	1.5
81.06648	1.1
81.07057	11.9
82.06590	2.0
83.04986	1.2
83.08604	3.6
84.08125	1.8
85.02897	1.6
85.06535	1.8
86.09689	3.1
91.05466	2.5
93.07028	2.3
95.08618	4.5
97.06535	2.1
100.07607	1.6
100.10675	1.3
100.11258	14.5
101.11588	1.0
102.09161	3.4
105.07030	1.4
107.08589	1.9
109.02856	1.8
109.10150	2.1
111.04426	2.6
112.07594	1.1
112.11217	1.5
121.10110	2.5
123.11646	2.0
124.11217	2.9
127.03893	1.8
128.07106	1.2
133.10098	1.6
145.10010	1.0
149.02365	5.3
167.19861	0.9
169.78030	0.9
180.69554	0.9
182.15424	4.4
182.19000	2.4
187.05959	1.7
187.13297	1.6
199.21634	1.4
209.16457	1.8
210.14880	3.2
213.19615	1.9
227.17406	1.0
267.72293	1.0
308.26300	3.1
310.27554	0.9
312.70676	0.8
326.27878	4.8
326.78040	2.4
328.28207	1.0
344.27814	2.5
354.26199	1.6
372.27441	17.8
373.27570	2.7
380.80637	4.9
381.30786	2.8
389.81177	8.0
390.28342	78.8
391.28903	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	390.3
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.1
58.06590	0.2
60.07888	0.2
60.08166	3.0
65.03928	0.5
67.05499	1.1
71.30714	0.2
72.08147	0.5
79.05448	0.2
79.70311	0.1
81.07052	0.3
82.93459	0.1
84.08105	0.2
91.05477	1.5
93.07041	0.2
95.04967	100.0
96.05296	2.4
105.07021	0.3
107.04964	0.3
116.10729	1.3
117.07030	0.8
119.08581	0.2
129.07027	0.3
131.08575	0.4
149.02356	0.5
160.76489	0.2
313.21609	8.6
314.21948	0.6
339.02612	0.1
385.18192	0.1
390.30078	7.5
391.30356	0.8
392.45816	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	390.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25027	0.8
52.89595	0.8
55.05498	2.0
57.03436	1.4
57.07084	1.0
58.06601	2.3
60.08166	10.9
67.05516	4.7
69.07072	1.6
69.25408	5.2
70.06621	1.4
70.75162	0.8
72.08154	10.2
79.05495	5.6
81.07056	5.4
83.05009	1.1
83.08659	0.8
84.08154	2.0
86.09747	0.9
91.05490	3.4
93.07069	2.8
95.04982	2.8
95.08615	4.8
97.06535	5.8
102.09181	7.6
105.03385	1.8
105.04510	0.8
105.07039	2.9
107.04953	100.0
107.08615	2.6
108.05319	1.7
108.41339	0.8
109.06485	1.0
109.10173	1.4
111.08112	1.4
117.07056	1.3
119.08587	1.1
121.06528	1.5
121.10159	1.7
123.11752	1.0
131.08698	1.1
133.06470	12.2
133.07381	0.8
133.10223	1.2
135.08047	5.0
135.11707	0.9
144.13846	1.4
145.06473	4.1
147.08046	9.2
149.02402	3.6
150.55603	0.7
152.40479	0.9
157.06503	0.9
159.08018	4.9
161.09607	1.9
163.15106	0.8
173.09668	3.0
183.11914	0.9
187.11217	1.8
201.12747	3.9
219.13712	1.1
228.45535	0.8
273.18835	0.9
276.46194	0.9
322.19067	1.1
331.22540	1.0
390.30072	98.3
391.25552	1.6
391.30273	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	390.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98404	0.6
55.05503	2.4
56.05035	1.7
57.03440	3.8
57.07079	7.3
58.06606	6.5
65.03932	0.7
65.93648	0.5
67.05514	3.4
69.07062	2.2
70.06593	18.1
71.07357	0.8
71.08624	2.8
72.08157	27.8
79.05492	5.5
81.07059	20.5
83.08632	1.1
84.08150	6.8
84.08640	0.9
85.06499	0.7
85.08927	2.0
85.10181	1.9
86.09704	4.5
88.07634	5.2
91.05481	58.7
91.74054	0.6
92.05798	0.9
93.07041	2.5
95.04969	2.3
95.08618	3.4
96.08159	0.7
97.10132	0.7
98.09690	2.5
102.09167	2.3
102.96202	0.7
105.07035	8.8
107.08607	1.6
109.10167	2.6
110.09666	0.8
114.09148	0.9
115.05455	0.6
117.07026	8.9
119.08581	2.5
121.10132	2.2
124.11262	0.8
124.33546	0.7
129.07007	1.5
131.08563	9.4
132.10187	8.5
133.10129	1.2
135.11732	0.8
143.08575	2.2
145.10117	1.9
146.11748	8.2
149.02374	1.8
155.08505	0.8
157.10112	1.9
159.11690	0.6
165.07021	0.7
169.10158	0.7
171.11728	1.5
196.93159	0.7
202.42780	0.6
213.16411	0.7
219.54095	0.6
222.97453	0.6
231.17487	1.5
240.26877	1.8
266.28436	1.0
280.86102	0.8
284.29453	7.4
309.25781	1.2
327.26767	3.0
328.32092	32.5
329.32379	2.8
362.26785	0.9
372.32587	52.8
373.32874	6.4
390.23050	2.2
390.34024	100.0
391.24527	34.5
391.33475	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
58.99866	19.7
60.12878	1.7
64.23390	1.6
70.23237	1.5
70.23580	5.3
72.08158	2.1
75.05820	1.5
76.64639	1.8
76.78764	1.4
77.00908	7.1
81.03414	4.1
82.99871	4.9
84.25206	1.7
86.09699	2.5
90.64647	1.8
101.00883	38.1
102.00994	2.3
103.02433	3.1
103.93032	3.0
113.00839	12.5
115.02444	5.3
119.01926	45.8
120.02013	4.1
121.54395	1.6
123.02921	2.6
129.03963	4.0
131.01906	27.3
132.01982	1.7
133.03464	6.7
136.94006	2.8
137.02950	4.0
137.25015	2.0
139.02408	2.1
141.03957	13.9
142.04308	1.6
143.01866	9.9
145.03500	2.3
147.05080	2.3
149.03046	2.1
153.03995	2.5
155.01891	12.5
157.03464	9.5
159.05022	21.1
161.02980	7.6
165.03969	5.1
167.01933	10.0
169.07066	5.0
171.05092	2.5
173.02956	19.1
175.04567	5.7
177.06071	12.8
181.03482	6.3
183.05043	28.7
184.05173	2.4
185.02951	46.7
185.06604	2.3
186.03159	3.6
186.90210	1.8
187.08203	3.4
195.05006	5.2
199.04515	42.0
200.04691	3.6
201.06082	10.5
203.04019	46.1
204.04218	5.2
209.03018	4.9
211.04507	5.1
213.06129	5.8
215.93433	1.8
217.05600	2.4
221.05055	5.2
227.04004	83.6
228.04121	7.5
229.01953	10.2
229.05597	3.6
239.04004	9.7
245.05051	51.0
246.05264	4.9
247.03021	3.6
253.02043	3.8
257.05170	9.0
271.02985	100.0
272.03131	11.3
283.02963	21.1
289.03998	10.6
301.04022	32.6
302.04297	3.7
319.05301	2.4
331.05136	8.9
352.23306	1.7
373.06070	6.8
391.07007	16.2
392.01477	5.0
392.06873	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00405	2.3
51.81106	2.7
53.34761	2.3
53.45379	2.3
54.68924	2.6
57.03448	18.8
67.05510	16.5
69.07071	3.4
69.30174	12.5
73.46975	2.6
81.03423	62.3
81.07037	4.1
82.82482	2.4
91.05489	4.1
93.07055	6.6
95.04971	72.0
95.05560	4.3
95.08607	7.4
105.07029	6.9
107.04910	2.6
107.08593	10.3
109.06551	5.0
109.10178	7.1
117.06865	2.7
119.08594	11.2
121.06532	5.6
121.10175	6.1
123.04436	21.0
123.08054	6.9
129.06966	2.9
131.04988	2.7
131.08609	8.4
133.10158	9.7
135.08052	6.8
135.11690	7.1
137.05968	3.2
142.07864	3.1
143.08591	8.0
145.06523	8.4
145.10172	12.2
147.08090	5.3
149.02345	15.6
149.09634	5.9
151.11185	4.8
156.09344	3.4
157.10138	3.8
158.10938	10.7
161.09610	8.4
171.11765	5.7
173.13278	37.9
175.11157	5.5
176.11998	9.4
179.07071	3.8
189.12813	6.1
191.14310	100.0
192.14732	6.6
193.12320	2.8
199.11252	3.6
203.14262	3.2
209.15465	8.1
219.14014	3.9
231.13759	3.8
239.14371	3.1
240.83800	2.7
257.15359	7.1
271.16913	3.6
285.18622	3.6
295.16995	7.0
313.17957	18.8
314.18210	4.1
331.19086	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.9
57.03431	7.7
57.07067	6.0
63.44313	2.0
67.05508	25.2
69.07071	26.8
71.08613	3.1
72.08205	2.5
79.05503	13.7
81.07060	29.5
83.08633	16.6
85.06546	2.5
93.07033	16.6
95.08618	23.3
97.06535	9.0
97.10178	9.7
98.23454	4.1
98.98470	89.0
99.08110	2.1
105.07033	3.0
107.08611	10.4
109.10184	11.2
111.08073	4.3
111.11710	3.3
121.10151	17.6
123.11707	5.8
135.11703	14.7
137.13295	3.2
146.01405	2.1
149.02348	14.2
149.13278	6.5
155.01038	100.0
163.14828	3.0
163.56522	1.9
219.21060	10.0
237.22139	18.5
391.24417	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	391.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50447	1.0
53.03953	1.8
55.01876	11.5
55.05241	1.3
55.05510	26.7
57.03431	7.7
57.07076	14.6
67.05503	22.5
67.76547	0.9
69.07069	34.9
71.04990	1.5
71.08617	7.4
79.05492	16.1
81.07054	28.2
83.04983	1.5
83.08618	31.8
85.06561	1.8
85.10179	3.5
88.11256	1.6
91.05488	9.0
93.07047	19.5
94.07332	1.3
95.04974	9.0
95.08606	22.1
95.09167	1.9
97.06539	7.7
97.10162	18.1
98.98463	92.8
99.08115	1.1
105.07036	8.4
107.08591	12.7
109.06528	1.5
109.10170	10.2
111.08099	5.9
111.11737	5.8
116.01604	1.1
116.99477	2.4
117.07020	3.1
119.08563	7.9
121.06559	1.3
121.10140	24.0
123.11714	4.6
125.09625	1.8
125.13272	1.5
128.06212	1.4
129.06987	2.1
131.08565	3.5
133.10083	5.2
135.08049	1.2
135.11694	15.7
137.13266	4.3
139.11168	1.7
142.07803	2.1
143.08577	4.0
145.10127	4.7
147.11664	1.6
149.02330	6.2
149.13263	4.9
155.01035	100.0
155.08545	3.7
156.01329	1.6
156.09355	1.9
157.10188	5.4
159.11694	2.7
163.14816	1.7
169.10152	4.1
171.11682	4.2
172.29475	1.2
173.13255	3.0
178.65147	1.3
179.08540	2.2
181.10144	2.1
182.10812	1.5
183.11708	4.8
185.13318	3.1
187.14809	2.5
193.10094	3.0
195.11736	3.0
197.13213	3.0
207.11801	2.6
208.12444	2.9
209.13222	3.2
211.14789	2.3
219.21095	9.8
221.13271	3.2
223.14810	3.9
231.11853	1.2
233.13255	1.8
235.14847	2.2
237.22125	24.9
249.16411	3.4
251.17854	1.3
267.17294	1.7
275.17856	1.4
308.25797	2.0
355.24081	1.2
373.25739	3.7
391.19052	1.6
391.26343	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34224	0.4
53.84053	0.4
54.29868	0.4
57.07076	2.1
57.20480	0.4
58.06590	0.9
58.07405	0.4
66.96495	0.4
69.88039	1.5
70.06594	4.2
71.06924	0.9
71.08625	0.9
72.08144	0.7
82.79905	0.4
84.08138	0.5
84.56351	0.4
86.09724	0.7
88.07625	1.4
89.07925	0.5
102.09181	0.8
104.15488	0.4
132.10207	1.6
146.11732	2.2
147.12056	0.6
149.02321	3.3
179.92494	0.4
284.29468	1.0
285.29840	2.1
321.16748	0.9
328.32144	2.9
329.32379	6.5
390.35800	7.8
391.24551	100.0
391.35925	20.8
392.20242	0.7
392.24884	8.5
392.36319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.1
58.06578	0.6
61.86147	0.5
69.31843	3.1
70.06598	5.7
71.06902	0.8
71.08627	1.3
72.08150	0.8
77.67350	0.7
78.09681	0.5
80.85107	0.6
80.94830	0.5
84.08151	0.7
86.09708	0.9
88.07655	2.6
102.09173	1.1
111.46297	0.4
132.10182	2.6
146.11740	2.5
149.02342	4.3
280.51556	0.6
284.29565	1.7
285.29861	1.7
321.16705	1.5
328.32126	4.3
329.32446	7.1
390.35736	9.3
391.24561	100.0
391.35974	23.7
392.24841	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27126	0.7
55.05499	1.1
56.70683	0.7
57.07075	1.5
63.13233	0.6
67.05501	1.2
69.07058	1.1
70.06575	3.2
71.07761	1.2
71.08607	1.2
72.08140	1.5
79.05482	2.5
81.07039	3.1
86.09613	0.8
88.07608	1.5
88.61324	0.7
89.45972	0.7
91.05499	4.6
93.07045	2.9
95.04968	2.2
95.08604	4.1
97.16309	0.7
98.05956	0.6
105.07030	5.8
107.08594	3.0
109.10183	2.0
117.06997	1.2
119.08578	4.8
121.10132	1.1
129.06950	1.3
131.08549	2.7
132.10208	1.2
133.10120	2.3
135.11696	0.8
143.08560	1.7
145.10147	3.7
146.11832	1.2
149.02315	5.3
153.50281	0.7
155.08621	0.9
156.09396	0.9
157.10109	2.8
159.11716	2.3
169.10141	1.9
171.11691	2.0
173.13278	1.0
179.08482	0.8
181.10173	0.9
183.11650	0.9
195.11682	2.1
196.12553	0.8
197.13275	1.2
207.11612	1.1
209.13240	1.4
211.14839	1.5
249.16322	0.8
284.29382	0.8
285.30054	1.2
328.32013	1.4
329.32349	3.9
373.25342	1.0
390.35870	3.3
391.24530	100.0
392.24826	9.6
394.98123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81173	0.4
57.07065	0.7
59.27357	0.4
69.31687	1.3
69.32113	1.6
70.06584	0.7
71.81004	0.4
80.94843	0.5
86.09707	0.6
97.76638	0.4
98.23318	0.6
149.02309	2.6
178.29704	0.4
205.40450	0.4
315.16248	0.9
329.32388	0.7
333.17340	1.0
373.12167	4.1
374.12247	0.7
391.24527	100.0
391.34927	2.3
392.24905	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
54.17628	2.7
55.01872	6.9
55.05515	30.9
57.03444	4.9
57.07067	11.0
65.03928	4.8
67.05509	29.7
69.07071	39.8
69.51031	7.1
69.51436	10.6
71.04980	3.9
71.08642	8.3
77.75545	3.1
79.05502	38.7
81.07056	62.0
83.04990	8.1
83.08627	25.0
91.05476	52.3
93.07043	57.4
95.04976	12.3
95.08612	30.0
97.06538	25.2
97.10162	9.7
98.98464	42.3
99.08113	2.7
103.05513	5.6
105.07034	100.0
106.07387	6.2
107.08601	43.0
109.06522	12.8
109.10154	22.3
110.87344	3.2
115.05465	6.7
116.06282	3.2
117.07023	26.4
119.08584	91.8
121.06503	7.5
121.10156	29.4
123.11709	5.2
125.05998	77.7
128.06215	9.8
129.07036	23.6
130.07799	8.2
131.08568	60.0
133.06529	3.7
133.10132	82.8
135.11711	25.0
141.06970	9.1
142.07790	23.7
143.08575	34.9
143.61363	4.1
144.09297	11.2
145.06505	4.3
145.10133	96.0
146.10556	3.3
147.11688	10.1
149.02351	15.4
149.06081	3.0
149.13309	4.9
151.07581	4.0
154.07843	3.9
155.01048	47.4
155.08568	16.6
155.87268	2.9
156.09357	16.8
157.10127	43.5
158.10861	11.7
158.48917	2.9
159.08052	6.9
159.11725	30.7
161.09637	18.1
161.13304	3.7
165.07036	5.3
165.09129	4.1
167.08586	9.6
168.09373	7.2
169.10101	19.0
170.10902	5.8
171.11703	21.4
172.12408	4.3
173.09637	4.7
173.13280	33.1
175.14851	15.5
177.09129	3.7
179.08582	10.3
179.10678	4.3
180.09380	7.1
181.10124	15.1
182.10872	7.3
183.11635	17.0
185.09706	4.5
185.13258	9.0
187.14841	38.1
188.15126	3.1
191.10669	7.2
192.09344	4.7
193.10107	7.9
194.10951	8.2
195.11736	17.6
196.12405	4.4
197.13225	19.2
199.14879	12.7
201.16388	4.7
203.10687	7.1
205.10127	4.5
206.10942	10.6
207.11714	10.5
208.12405	7.6
209.13184	17.1
210.13921	4.4
211.14871	9.3
213.12717	3.2
213.16275	3.6
217.10072	3.6
219.11760	7.3
219.21144	7.3
220.12463	4.7
221.13245	11.8
223.14807	7.1
225.16479	5.8
233.13319	6.7
235.14914	7.5
237.16446	5.3
237.22153	9.9
239.14320	4.4
240.85298	3.3
245.13222	5.1
247.14832	7.5
249.16562	3.9
251.17975	4.4
257.13126	4.7
265.19458	4.6
275.17865	3.5
277.19537	9.9
391.26227	27.3
405.77090	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
53.53115	1.3
55.01881	3.1
55.05515	13.2
57.07081	5.4
59.04995	2.1
65.03941	3.1
66.70781	1.2
67.05507	15.2
69.03460	4.4
69.07076	11.5
69.30173	1.4
70.09738	3.5
79.05499	27.1
81.03419	1.7
81.07060	37.7
81.07523	2.2
83.04987	3.8
83.08627	2.2
85.06558	2.8
91.05482	39.9
93.07046	37.4
94.07395	1.5
95.04974	34.1
95.05556	2.2
95.08612	24.8
96.60990	1.3
97.06563	5.5
103.05518	6.0
105.04552	2.1
105.07034	80.6
105.44651	1.3
105.66034	1.3
106.07334	2.9
107.04929	2.5
107.08597	27.1
107.09280	1.9
108.08968	1.4
109.06523	13.5
109.10163	9.0
115.05476	4.3
116.06265	3.2
117.07021	16.5
119.04985	2.0
119.06140	1.3
119.08586	57.2
121.06534	11.2
121.10139	25.6
123.08090	5.2
123.11741	3.4
128.06242	14.0
129.07007	15.7
129.07718	1.4
130.07806	8.8
131.08577	19.8
133.10133	21.4
135.08125	4.2
135.11739	4.2
137.09601	2.2
141.06992	7.5
142.07802	18.1
143.08569	35.1
143.09642	1.9
144.09436	6.7
145.06480	4.0
145.10129	48.2
145.11250	2.5
146.07286	1.4
146.10524	2.3
147.08044	7.8
147.11707	11.6
149.02318	1.8
149.09659	5.8
153.07062	4.5
154.07838	4.6
155.08531	17.1
156.09398	14.1
157.10126	35.7
158.10820	4.4
159.08093	10.0
159.11688	16.8
159.65379	1.4
161.09642	8.8
161.13344	3.3
163.11221	1.9
165.07021	8.2
166.07800	4.0
167.08582	13.2
167.10753	2.8
168.09335	7.8
169.10120	22.5
170.10939	5.6
171.08119	3.0
171.11694	16.2
172.08777	2.0
172.12341	2.2
173.09662	11.2
173.13290	10.1
175.11267	5.1
175.14919	1.5
177.09155	1.5
178.07796	2.4
179.08546	11.6
180.09392	6.2
181.10126	15.3
182.10883	7.2
183.08044	2.0
183.11707	18.4
184.08948	1.8
184.12489	3.3
185.09662	6.0
185.13295	8.5
187.11237	4.5
187.14830	3.5
191.08643	3.0
191.14476	4.1
192.09421	6.3
193.10129	14.8
194.10861	8.9
195.11693	18.8
196.08931	1.9
196.12494	6.7
197.09653	3.5
197.13272	13.5
198.10397	3.2
198.14024	2.5
199.11160	8.6
199.14886	4.0
201.09149	2.8
203.08575	1.9
204.09476	2.5
205.10091	7.4
206.10904	9.9
207.11694	17.3
208.12468	9.3
209.13239	17.1
210.10477	1.8
210.13939	1.7
211.11261	4.9
211.14799	10.6
213.12878	4.4
213.16524	1.5
215.08655	1.9
215.14320	3.3
217.10246	4.2
217.16028	3.9
218.10928	4.2
219.11699	9.1
220.12462	7.6
221.13231	13.7
222.13983	4.6
223.11266	4.6
223.14809	11.8
225.12958	3.3
225.16383	2.3
227.14412	4.9
229.10210	2.4
229.16029	2.0
230.11023	1.7
231.11769	5.3
232.12550	3.7
233.13350	11.8
233.15517	6.8
234.14058	5.2
235.11302	2.0
235.14818	11.6
236.15520	3.4
237.12965	3.7
237.16446	5.2
239.14362	2.4
239.18034	2.5
241.15904	2.9
243.11815	6.4
244.12505	2.4
245.13373	5.1
246.14224	3.9
247.14810	7.5
248.15570	3.1
249.12805	3.1
249.16376	12.3
251.14456	5.4
251.18034	2.9
253.16121	1.7
253.19588	2.2
255.17517	2.4
257.13156	2.4
259.14981	5.3
260.15744	3.1
261.16586	6.0
262.16974	1.5
263.17844	6.8
264.18866	3.1
265.15936	3.7
265.19614	4.1
267.17572	4.4
269.13330	2.0
269.19107	3.4
271.14914	2.1
271.20798	2.1
272.15646	1.6
273.16452	4.1
275.15012	1.7
275.18033	6.0
277.15964	2.8
277.19308	1.9
279.17438	7.9
281.19095	4.0
282.19974	5.9
287.17953	1.6
289.19608	4.2
291.17633	6.1
293.19098	4.7
295.20642	3.5
297.18494	7.6
299.17899	1.8
301.19839	1.6
303.17383	2.0
305.19247	3.0
307.20764	4.2
308.21390	2.1
309.21811	1.5
311.20120	2.0
315.21368	2.3
317.19177	5.9
330.23465	1.7
335.20056	9.8
343.20605	1.5
345.25800	1.7
349.21729	1.5
363.26917	3.4
373.25281	16.6
391.26349	100.0
392.26740	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.05520	9.2
57.07077	4.4
59.05019	3.0
65.03941	3.1
66.12836	2.0
67.05502	13.8
67.43849	2.2
69.03423	2.9
69.07081	7.4
69.97839	8.3
77.03914	2.9
79.05495	20.8
81.07053	32.0
83.05009	4.5
83.08610	3.7
85.06547	5.6
90.43711	2.3
91.05484	31.0
93.07053	33.1
95.04975	36.4
95.05544	2.8
95.08605	18.9
97.06558	5.0
100.26501	2.5
103.05427	3.8
105.07037	50.0
107.08597	18.6
109.06538	7.9
109.10212	4.9
115.05499	4.8
117.07053	9.9
119.08588	43.0
121.06516	15.8
121.10139	17.9
123.08112	4.5
123.11751	4.2
128.06248	8.9
129.07005	11.6
130.07828	7.1
131.08571	19.8
133.10162	17.9
135.08066	5.7
135.11638	3.4
137.09639	2.2
141.07072	4.6
142.07849	10.5
143.08583	24.9
144.09378	4.7
145.10115	31.0
147.08075	6.3
147.11749	7.7
149.09662	4.4
155.08560	10.8
156.09320	10.8
157.10126	31.9
158.10938	2.8
159.08025	12.1
159.11687	14.4
161.09587	15.8
161.13272	3.5
165.06953	4.5
166.07780	3.2
167.08623	7.1
167.10724	3.7
168.09355	5.6
169.10088	21.4
170.10939	5.6
171.11687	17.8
172.12582	2.7
173.09712	8.7
173.13255	12.3
175.11223	4.3
178.07898	2.7
179.08632	10.6
180.09396	4.8
181.10159	14.8
182.10930	4.5
183.11720	19.6
185.09749	4.3
185.13313	8.5
187.11243	4.1
187.14920	3.1
191.08569	2.9
192.09430	6.2
193.10211	10.5
194.10947	8.9
195.11664	17.1
196.12421	6.2
197.09637	5.6
197.13312	14.2
199.11278	5.7
199.14958	5.6
201.12762	4.5
205.10117	3.7
206.10934	10.1
207.11699	13.4
208.12480	6.4
209.09785	4.5
209.13287	16.5
210.13997	3.1
211.14911	9.2
213.12904	3.4
215.14331	4.5
218.10959	4.3
219.11827	6.9
220.12509	3.0
221.13316	12.8
222.14020	4.5
223.11333	4.8
223.14804	12.4
225.12886	3.8
225.16434	3.4
227.14375	5.2
231.11771	5.3
232.12733	2.9
233.13318	9.2
234.14034	4.6
235.14861	10.8
236.15565	5.0
237.12778	6.3
237.16380	5.1
239.17924	2.5
243.11700	2.5
245.13425	6.0
246.14131	3.3
247.14951	6.9
249.12949	2.7
249.16489	7.9
251.14479	3.9
251.18045	6.9
258.14020	3.0
259.15082	4.1
260.15372	2.7
261.16574	6.6
263.17999	3.3
267.17538	3.3
273.16537	4.6
275.17975	8.1
277.16080	2.8
277.19485	4.1
279.17441	2.7
282.19638	4.5
289.19592	4.6
291.17572	4.5
293.19168	4.9
295.20581	4.0
297.18607	6.8
307.20590	3.8
315.21704	2.7
317.19067	5.6
335.19910	5.5
355.24371	3.7
363.26828	2.5
373.25333	21.7
374.25632	3.0
391.26343	100.0
392.26770	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.9
53.03945	6.8
55.01865	8.5
55.05513	30.0
57.03439	5.8
57.07082	13.3
59.04985	2.8
61.74604	1.8
62.01050	1.8
65.03935	5.5
67.05504	35.8
69.03438	3.2
69.07071	34.2
69.15343	15.0
70.07376	2.0
71.04982	5.1
71.08636	4.8
77.03951	2.8
79.05486	45.9
81.07056	59.4
83.04985	7.9
83.08617	24.8
85.06538	8.7
91.05473	51.4
93.06467	4.3
93.07044	74.6
94.28521	2.0
95.04967	82.1
95.08605	39.3
96.78111	1.8
97.06534	17.3
97.10168	10.1
98.98463	46.8
103.05473	4.4
105.04506	2.6
105.07029	91.2
107.08591	44.0
109.06518	11.7
109.10154	23.8
111.08094	6.8
111.11723	4.1
115.05446	8.4
117.07017	18.0
119.08573	66.5
121.06522	14.3
121.10144	42.4
122.10439	2.7
123.08055	5.3
123.11707	8.5
125.09661	3.5
128.06229	11.1
129.07013	20.7
130.07788	8.2
131.08560	31.3
133.06567	3.1
133.10127	33.8
135.08044	6.0
135.11691	13.8
137.13254	2.5
139.11169	2.3
141.07008	11.0
142.07785	29.1
143.08560	44.5
144.09306	8.3
144.13647	2.0
145.10117	50.1
146.10529	2.2
147.08029	5.0
147.11693	10.9
149.02356	7.4
149.09625	6.7
149.13274	3.8
151.11128	3.2
153.06973	5.9
154.07802	5.2
155.01042	41.7
155.08559	23.2
156.09338	21.4
157.10121	58.3
158.10815	6.4
159.08078	6.3
159.11696	36.3
161.09634	14.1
161.13249	6.8
163.11244	3.7
163.14713	2.3
165.06985	12.4
166.07784	5.7
167.08540	15.9
168.09335	8.2
169.06490	2.0
169.10133	42.1
170.10912	15.3
171.11685	38.6
172.12273	4.9
173.09631	3.3
173.13254	16.5
175.11179	3.7
175.14886	2.9
177.12854	2.3
178.07726	3.3
179.08531	16.6
180.09338	10.7
181.10130	26.1
182.10904	19.1
183.11674	33.4
184.12349	6.0
185.09737	4.1
185.13240	27.9
186.13625	2.4
187.11169	4.9
187.14810	16.0
189.12830	2.8
191.08607	3.1
192.09227	9.6
193.10117	29.0
194.10896	18.3
195.11696	47.7
195.57896	2.4
196.12418	13.4
197.09671	2.2
197.13243	34.3
198.13828	3.6
199.11179	9.9
199.14819	8.9
201.12740	5.5
203.14313	8.7
205.10159	7.8
205.15894	9.6
206.10902	15.7
207.11662	33.2
208.12437	19.8
209.13264	34.2
210.13943	7.9
211.11188	4.8
211.14816	19.0
213.12779	12.4
213.16188	3.6
214.13394	2.1
217.10123	5.5
218.10889	6.3
219.11697	16.1
219.21063	3.6
220.12418	10.8
221.13228	30.5
222.13950	8.0
223.11197	3.1
223.14774	30.9
224.15338	5.2
225.12822	3.0
225.16377	10.5
229.15897	4.7
231.11678	8.4
232.12494	7.7
233.13239	16.7
234.13966	12.9
235.14847	23.5
236.15608	5.2
237.12695	4.8
237.16365	14.7
237.22081	11.7
238.17041	4.0
239.14349	6.2
239.17986	6.1
241.15950	4.9
243.11774	4.3
244.12483	4.6
245.13246	10.8
246.14005	10.1
247.14799	16.6
248.15657	3.7
249.16389	24.9
250.17014	2.7
251.14432	6.2
251.17865	18.3
252.18576	3.5
253.15808	2.7
253.19449	5.2
255.17467	9.3
257.13193	4.7
258.14090	5.4
259.14850	7.1
260.15683	5.5
261.16397	11.5
262.17035	3.6
263.17911	13.4
264.18655	7.2
265.19440	5.0
267.17441	11.4
269.13217	2.5
269.18991	12.1
271.14734	2.6
271.20645	4.8
272.15485	2.6
273.16336	9.3
274.17175	3.1
275.17783	12.2
276.18695	3.2
277.19504	11.5
279.17401	4.0
281.19012	5.7
282.19809	11.1
283.20551	6.5
287.18021	4.2
289.19421	9.6
290.20319	2.4
291.17334	5.4
291.20862	4.2
293.18942	5.0
295.20605	4.2
299.17935	2.8
301.19522	2.6
303.17642	2.8
303.20950	2.9
307.20618	4.8
308.20999	2.9
317.19070	5.1
318.19336	2.6
329.22653	4.2
331.20801	2.9
333.22122	3.6
335.20105	3.6
345.25851	4.8
355.24121	3.3
362.25864	2.8
363.26553	3.5
373.25195	34.0
374.25565	4.6
391.26294	100.0
392.26791	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.5
53.37311	4.5
55.01869	9.2
55.05287	6.4
55.05513	38.9
56.96555	6.5
57.03435	4.7
57.07077	23.8
61.07888	4.4
61.38649	4.5
67.05508	43.3
69.07072	40.5
70.01237	17.9
79.05495	61.7
80.62135	4.8
81.07059	58.3
83.04975	8.5
83.08626	19.9
85.06541	6.8
88.42912	4.9
91.05480	41.3
93.07049	74.9
95.04974	81.6
95.08617	47.8
97.06524	11.9
97.10160	19.3
98.98460	50.3
103.05466	6.7
104.54472	5.2
105.07032	84.7
107.08600	46.7
109.06517	12.6
109.10138	22.7
111.08117	7.0
117.07048	14.7
119.08578	68.4
121.06517	18.0
121.10145	42.9
122.10503	5.8
123.08057	8.4
123.11696	10.7
128.06216	10.0
129.07011	20.8
130.07762	7.9
131.08569	30.0
133.10141	29.6
135.00221	4.4
135.08041	8.8
135.11711	24.0
141.07025	8.6
142.07791	20.1
143.08557	35.6
144.09351	6.2
145.10118	49.6
147.11737	14.4
149.02354	22.3
149.09641	7.5
149.13301	8.8
153.06953	4.6
154.07672	5.5
155.01048	66.5
155.08557	19.6
156.09332	20.5
157.10147	47.1
158.10912	7.5
159.08145	5.9
159.11691	28.5
161.09628	8.8
161.13300	7.1
165.06989	12.5
167.08549	11.4
168.09349	6.9
169.10115	35.7
170.10829	15.2
171.11713	41.5
172.12326	6.2
173.09657	7.4
173.13292	15.2
179.08568	16.9
180.09338	10.3
181.10115	23.0
182.10991	9.9
183.11731	33.6
184.12424	6.6
185.09651	5.4
185.13261	29.0
187.11198	6.8
187.14832	15.6
193.10144	24.0
194.10890	20.9
195.11723	43.2
196.12341	8.3
197.13304	30.5
199.11185	7.8
205.10162	8.4
206.10925	10.2
207.11665	27.2
208.12471	15.8
209.13208	30.5
210.13837	9.7
211.14848	14.2
213.12761	13.7
214.04846	5.0
215.14503	5.8
219.11749	8.6
219.21092	5.4
220.12541	11.1
221.13272	23.9
222.14003	8.3
223.14827	23.2
224.15266	4.9
225.16318	10.7
227.14218	5.4
231.11613	6.2
233.13313	16.7
234.14023	13.1
235.14876	20.3
236.15555	5.6
237.16405	10.0
237.22183	18.2
244.12459	6.5
246.14091	7.5
247.14848	13.5
248.15489	6.4
249.16286	26.2
250.16959	5.0
251.17920	21.0
259.14764	8.6
260.15561	7.2
261.16342	5.6
263.17874	7.5
264.18750	11.3
267.17459	13.8
269.19073	13.2
271.20514	5.4
273.16403	5.9
275.17810	10.7
277.19626	14.3
279.17545	5.4
282.19916	14.1
289.19598	7.3
291.17474	6.0
295.20670	6.1
307.20752	5.5
317.18045	17.5
335.19415	6.1
345.25937	8.1
349.06174	6.0
373.25351	30.7
391.19122	7.1
391.26242	100.0
391.31097	8.1
392.26636	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01869	3.1
55.05520	12.0
55.71172	2.4
57.03433	1.9
57.07074	5.7
59.05003	3.1
65.03939	4.0
65.64967	2.1
67.05515	17.5
69.03415	2.5
69.07059	8.9
69.97643	6.3
71.04984	2.1
76.69071	1.8
79.05489	22.0
81.07058	33.9
83.04987	4.9
83.08614	5.1
85.06542	3.6
91.05489	32.0
93.07045	36.1
95.04970	28.8
95.08613	19.2
97.06539	4.6
103.05448	4.5
105.07030	67.1
106.07391	2.7
107.08589	22.2
109.06541	10.2
109.10159	7.2
115.05476	6.4
117.07030	14.7
119.08581	55.5
119.09441	2.8
121.06524	9.5
121.10143	20.3
123.08107	6.2
128.06241	13.4
129.07016	15.8
130.07834	6.9
131.08575	27.8
133.10121	16.1
135.08061	5.7
141.07001	7.5
142.07776	19.1
143.08549	29.9
144.09338	4.1
145.06500	2.1
145.10124	41.6
147.08067	6.7
147.11732	8.5
149.02364	6.8
149.09662	4.9
153.07065	2.4
154.07816	4.9
155.08539	11.5
156.09386	12.4
157.10146	27.4
158.10880	3.8
159.08064	10.2
159.11691	17.9
161.09637	7.8
161.13223	2.1
165.07068	7.4
166.07794	4.1
167.08533	10.7
168.09415	4.9
169.10114	21.7
170.10905	3.1
171.08244	1.9
171.11691	17.7
173.09663	6.9
173.13264	10.5
175.11205	3.9
178.07751	2.6
179.08566	11.2
180.09303	6.8
181.10089	14.7
182.10910	8.5
183.11726	15.3
184.12436	2.4
185.09703	6.4
185.13332	6.4
187.11226	3.2
191.08636	2.8
191.14386	4.3
192.09384	6.4
193.10103	15.6
194.10918	8.8
195.11682	17.4
196.12535	4.8
197.09689	2.4
197.13269	15.7
199.11269	6.3
199.14850	7.7
201.12741	3.3
203.08545	3.2
204.09436	2.6
205.10085	4.9
206.10948	7.2
207.11670	14.0
208.12468	6.7
209.09618	3.0
209.13248	18.7
211.11212	5.7
211.14839	11.0
213.12775	4.7
215.14339	2.7
218.10979	3.6
219.11719	9.2
220.12540	5.8
221.13295	12.9
222.13969	3.4
223.11279	2.4
223.14774	11.8
225.12837	5.6
225.16347	3.8
227.14366	5.0
231.11682	5.8
232.12392	3.3
233.13293	10.4
233.15457	6.0
234.14030	4.7
235.14793	14.5
237.12695	4.0
239.14395	3.6
243.11737	3.8
245.13321	5.6
246.14241	2.1
247.14893	5.6
248.15663	2.6
249.16399	12.8
251.14391	4.8
251.18039	4.0
253.16010	2.2
257.13501	2.7
258.14008	3.3
259.14758	4.8
261.16489	4.7
263.18045	7.8
264.18610	2.5
267.17673	3.1
269.18924	2.9
275.17923	4.1
279.17517	5.3
281.19128	3.3
282.19858	5.3
283.20743	2.2
284.15417	3.2
289.19455	4.8
293.19055	3.6
295.20715	3.0
297.18610	5.9
305.19031	2.8
307.20551	3.4
317.18817	4.0
335.20068	6.4
373.25085	14.3
391.26328	100.0
391.36292	5.5
392.26624	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55460	1.3
56.05038	3.5
57.07088	2.9
58.06605	2.1
59.12851	1.1
65.03941	1.5
67.05511	5.3
69.07085	2.0
70.06595	21.0
71.08627	1.4
71.28005	1.2
71.28426	1.6
72.08160	87.9
73.08479	1.9
74.02436	1.4
79.05513	3.7
81.07068	5.8
84.04532	3.6
84.08132	2.8
86.09702	10.4
91.05484	1.5
93.07055	2.5
95.08607	6.6
96.00869	1.2
105.07005	1.2
107.08617	1.5
109.10175	1.3
120.08109	6.6
121.02866	2.2
121.10150	2.1
132.08118	1.5
144.08061	2.2
149.02347	22.2
150.02618	1.4
159.09204	4.4
167.03423	1.6
187.10809	2.6
188.07057	2.3
211.36008	1.3
215.13831	1.9
224.20128	5.6
244.13045	1.5
245.09280	3.3
245.11386	1.6
264.23276	4.5
280.69308	1.2
294.28003	3.0
310.27386	3.2
312.29041	3.3
328.28491	7.6
330.30005	3.1
346.29449	6.6
373.30991	8.3
374.29346	2.0
391.15845	3.9
391.31766	100.0
392.32040	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	392.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56517	1.2
56.05047	1.9
58.99844	1.4
61.01152	1.6
70.06596	3.3
71.25412	1.9
72.08145	4.5
77.00887	2.3
81.03439	1.6
84.08123	3.7
86.09707	4.8
87.10052	1.5
94.93010	4.2
98.97559	1.6
101.00898	2.8
102.00954	2.1
103.93044	32.7
118.08606	1.6
119.01933	5.6
120.02000	2.7
121.01658	1.8
128.30780	1.3
129.10231	2.0
131.01923	2.1
132.02011	3.0
136.94031	30.7
148.93997	5.3
149.02341	4.6
160.05161	2.0
166.95135	4.3
170.56831	1.4
174.03099	2.6
178.06172	1.8
184.05220	1.7
186.03123	3.6
188.51880	1.4
196.96292	1.7
200.04724	4.5
201.04309	2.2
202.95078	12.9
203.04111	2.4
204.04134	3.6
213.96658	3.9
221.04987	2.0
223.44614	1.5
227.03983	2.7
228.04144	7.1
229.96245	4.1
245.04994	2.3
246.05237	6.1
248.99129	2.1
271.02869	2.7
272.03134	10.5
284.03348	1.9
290.04263	3.4
302.04324	4.9
392.01437	100.0
392.11813	3.4
393.01791	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43835	0.6
50.84719	0.7
52.57985	0.7
56.05035	1.8
56.96567	100.0
57.07069	0.6
58.99538	0.7
60.05659	2.3
67.98172	0.8
69.07048	0.9
69.86870	1.6
70.06593	17.3
70.06958	1.2
71.05000	1.2
71.06901	0.7
71.36205	0.5
71.95270	3.3
72.08163	5.0
72.96053	5.3
74.06083	2.5
74.97606	1.1
83.97650	2.4
84.04520	2.9
84.08147	7.0
84.96061	1.7
85.02940	1.9
85.08482	0.8
85.52834	0.7
86.09708	6.8
87.05592	0.7
87.10075	1.0
91.05500	1.6
97.02914	0.9
97.99183	4.1
98.97610	1.4
102.05579	0.6
103.05486	1.0
106.67485	0.7
110.07178	1.9
112.08774	2.3
113.02357	0.7
113.07115	0.7
115.08678	1.3
116.00237	1.2
116.07119	2.9
116.98715	0.9
120.08109	27.1
125.02440	0.9
127.03918	0.9
129.10257	2.8
130.09776	0.7
130.93306	1.1
131.01305	1.2
136.07584	0.9
136.99156	1.4
139.00720	2.9
141.00073	0.9
141.10251	0.9
147.11266	0.9
149.02432	2.7
153.01881	0.9
155.00201	2.9
156.07587	0.7
157.01735	7.2
158.09290	2.9
164.98674	2.0
165.02235	0.8
167.03792	1.1
172.06483	0.7
173.01195	6.0
175.02789	22.4
175.11916	8.1
176.03860	9.1
177.02229	0.8
178.05409	6.5
181.01749	1.5
182.99666	11.3
183.01167	0.8
183.03214	4.4
189.04370	1.9
190.01767	0.9
190.07605	1.2
190.09805	1.8
191.02296	2.0
191.11888	2.0
192.03412	1.7
193.03860	13.6
194.04913	4.0
195.03006	1.2
196.06448	5.1
197.01315	1.2
198.04475	0.8
199.07698	2.0
201.00716	21.8
201.04355	4.0
203.95198	0.7
204.03358	5.1
207.09831	0.8
208.02786	3.8
210.04375	0.9
213.03963	1.4
217.08560	3.2
219.01765	15.6
219.03822	1.0
219.10046	0.7
222.04384	66.2
223.04776	3.3
224.02290	0.7
226.03873	3.2
227.07205	0.9
229.16179	0.9
230.17500	2.1
231.06416	1.1
234.06627	1.4
237.02927	1.1
240.05435	67.9
241.05780	3.3
244.99686	1.5
245.05977	1.2
245.08109	6.1
246.08479	0.6
246.15685	1.0
263.00632	0.8
263.06735	1.3
263.09183	10.1
304.08633	3.0
322.10068	0.7
330.06409	7.2
348.07544	20.1
348.11783	1.3
349.07690	1.4
358.18942	1.5
366.08914	1.0
374.21652	0.9
392.14731	5.7
392.22552	2.2
393.22610	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	392.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21379	0.4
56.05028	1.3
58.06594	0.4
60.04508	0.4
61.01135	0.5
67.11272	0.4
69.07059	0.6
69.69685	1.8
70.06594	38.6
71.06927	1.3
72.08155	2.2
73.09058	0.3
77.70251	0.4
79.71063	0.4
83.76431	0.3
84.04509	9.8
84.08148	3.9
84.22311	0.3
85.02904	0.8
86.09705	6.9
87.10054	0.6
88.03987	2.2
91.05486	0.7
93.07056	1.5
102.05541	9.1
103.05442	4.0
110.07199	0.7
116.07092	51.8
117.07447	1.2
120.08105	100.0
121.08443	4.1
127.03964	0.6
129.10225	2.7
130.05032	0.4
130.06577	0.6
132.08066	0.4
136.07610	1.5
144.10257	0.4
148.06149	0.4
162.09081	0.4
163.04172	0.4
166.08589	0.4
180.06891	3.1
181.09795	0.6
185.16600	0.5
186.09180	3.7
188.07118	0.4
192.78532	0.4
204.10210	0.9
209.09221	0.5
213.27109	0.4
227.10233	4.6
228.10669	0.5
231.11298	0.6
245.11292	1.8
249.12358	23.9
250.12733	1.2
277.11835	12.6
278.12195	0.8
279.13913	0.5
374.18024	0.4
374.28827	0.4
385.36243	0.4
392.26056	0.9
392.30225	1.1
393.21777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48348	2.6
56.96569	20.9
57.07059	2.9
69.48063	14.3
70.06591	4.5
95.31191	2.9
95.32363	2.6
108.33965	2.6
110.97600	7.1
114.06680	2.9
115.33630	2.9
118.54089	2.9
128.98636	7.1
146.99654	3.2
149.02362	4.3
213.08035	3.7
213.53819	2.6
241.11099	38.9
259.12183	43.7
269.10638	6.9
333.17157	3.0
351.18472	43.1
357.19312	2.9
369.19534	100.0
370.19821	7.6
375.19794	8.3
387.20667	8.2
391.36273	6.6
392.21057	9.0
392.36554	7.2
393.26114	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	392.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.05509	4.3
56.05035	11.7
57.03431	2.9
57.19774	0.8
58.06587	2.5
60.04512	2.0
61.01156	5.6
61.02924	2.1
67.05503	8.4
69.03422	7.3
69.07066	6.0
70.06590	96.5
70.85917	2.1
71.05013	4.3
71.06916	2.9
72.08157	17.2
73.02926	1.4
74.06083	0.9
79.05495	7.2
81.03419	2.9
81.07053	10.5
82.06557	2.2
83.04990	1.1
83.06106	3.6
83.08614	2.4
84.04502	28.4
84.08141	10.3
85.02903	15.6
85.06515	1.0
86.06054	1.5
86.09700	68.9
87.04467	1.0
87.10038	2.2
88.03999	1.0
91.05463	4.8
93.07047	14.7
94.06590	1.5
95.04945	1.2
95.06096	1.1
95.08605	7.0
96.04475	1.8
96.08131	1.8
96.34742	0.8
97.02899	6.8
98.06043	1.6
98.09687	1.2
99.04432	1.4
102.05530	12.3
102.93880	1.0
103.05442	1.0
104.05322	13.7
105.07011	3.1
107.04955	2.5
107.08593	5.5
109.02831	1.8
109.10155	2.8
110.07161	19.4
110.07870	1.7
110.09706	3.5
112.11237	1.2
113.07127	1.1
114.05444	0.9
116.07108	7.7
117.06992	2.5
119.04980	1.4
119.08575	1.5
120.08099	24.5
121.06526	1.9
121.10140	3.0
124.11221	1.2
126.05564	1.0
127.03898	3.7
129.05521	1.2
129.06590	3.7
129.10220	4.8
131.08549	1.0
133.03200	7.8
133.06158	0.9
133.10124	1.9
135.08058	1.0
135.11708	7.6
136.07568	6.6
138.87631	0.8
141.06610	2.2
141.10226	3.0
144.06516	1.3
145.04974	2.8
148.05983	1.0
149.09503	1.3
149.13243	5.4
150.05836	29.8
152.10721	2.4
155.11800	1.6
156.07693	1.6
159.11687	3.8
166.08644	1.5
166.15919	2.2
167.08157	1.0
169.09737	1.5
170.11795	2.7
173.79227	0.8
177.12764	3.5
181.09703	1.0
183.14915	6.2
194.13773	1.5
194.15405	15.9
195.13837	2.1
195.15573	1.4
197.12856	11.1
203.12163	1.4
211.14503	4.5
212.16444	43.8
213.11153	1.6
213.16753	2.9
215.13907	21.2
216.14096	0.9
217.13449	1.3
225.12317	3.0
230.17500	100.0
231.17821	4.6
233.16492	3.2
243.13358	6.6
245.11240	6.5
249.15976	2.5
251.10165	1.3
254.17406	1.4
261.09167	1.1
263.14365	2.1
269.10385	0.9
271.10434	3.3
272.18585	2.6
279.13522	5.9
348.67651	1.5
356.17462	2.7
356.20657	3.5
356.68030	1.9
374.21579	3.5
375.21655	1.1
392.18240	2.1
392.22769	14.7
392.30023	2.1
393.24976	20.4
402.14233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2541
Annotation	Ile Phe Leu
Peak:m/z	Relative Intensity
55.07094	0.3
56.05045	0.8
58.06597	0.7
67.05515	0.4
69.03460	0.3
69.07064	7.2
69.10096	2.7
70.06600	1.5
71.11809	0.3
72.08162	1.6
81.03375	0.4
84.08121	1.1
85.02944	0.3
86.09704	100.0
87.10033	2.5
91.05478	0.7
93.07027	0.9
96.08134	0.4
103.05453	2.0
120.08102	82.8
121.08443	3.0
124.99536	0.4
129.10262	0.7
132.10172	1.6
144.06651	0.4
166.08684	1.6
199.18050	10.6
227.17552	4.1
231.11432	0.5
233.16481	29.4
234.16812	2.1
261.16010	7.9
262.16446	0.8
279.17035	12.2
280.17383	0.8
392.29425	0.9
393.18454	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	392.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.76397	0.3
55.01867	0.5
55.05505	0.9
56.05032	1.0
57.03436	1.1
57.05809	0.6
57.54298	0.3
58.06591	1.2
65.03934	0.5
65.56664	0.3
65.92221	0.3
67.05504	2.6
68.05014	0.4
69.03416	0.5
69.07058	1.0
69.18748	2.0
70.06591	3.3
71.04986	2.1
71.07348	0.6
72.08154	100.0
73.08486	1.9
79.05494	2.8
81.03424	0.7
81.07055	2.7
82.06588	0.7
83.04978	0.6
83.08640	0.4
84.08140	2.1
84.45812	0.3
86.09709	3.5
91.05480	17.6
92.05795	0.7
93.07043	3.6
94.06559	0.5
95.04975	5.9
95.07317	0.3
95.08598	1.3
96.05299	0.3
96.08122	1.6
96.93297	0.3
97.06542	1.3
98.09701	1.0
99.04488	1.3
100.07619	0.3
100.11258	0.5
102.09155	1.4
103.05444	0.4
104.26429	0.3
105.03398	1.4
105.07028	21.0
106.07362	0.7
107.04942	0.4
107.08599	1.0
108.08120	0.6
109.06544	0.3
109.10147	0.4
110.09682	0.8
111.08087	0.8
115.05488	0.5
117.07042	1.6
119.08610	0.9
120.08105	2.7
121.02845	0.3
121.06529	0.6
121.10153	0.8
122.09674	0.6
123.08073	0.4
124.11231	3.4
129.07011	3.1
129.10249	0.6
131.08603	0.7
133.06517	1.1
133.10155	0.9
135.08047	0.4
137.09694	0.3
139.07608	0.4
141.07001	0.9
142.12332	0.5
143.08600	1.2
145.10176	0.5
147.08040	0.4
149.09685	0.3
149.13251	0.4
157.10144	0.4
159.11734	0.3
160.13351	0.6
161.09532	0.3
169.10126	0.4
171.11694	2.0
182.15457	0.3
185.16417	0.6
195.13817	0.9
199.11211	0.4
213.15025	0.3
220.82079	0.5
246.15016	0.3
311.20300	0.4
316.22769	0.3
347.19223	0.3
356.21704	0.3
356.25818	4.3
374.23148	2.7
374.27002	21.9
375.23318	0.6
375.27377	2.0
392.24133	6.2
392.28128	61.9
393.18539	0.6
393.23599	1.1
393.28430	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	392.2795
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
53.03948	0.6
55.01871	0.7
56.05032	1.1
57.03432	1.0
67.05495	1.9
69.03439	0.4
69.07070	0.5
69.55303	1.8
70.06595	2.5
71.07355	0.7
72.08154	100.0
73.08488	1.3
79.05492	1.4
81.07056	1.8
84.08121	0.9
86.09701	1.9
91.05479	7.7
91.06012	0.6
93.07034	2.1
95.04966	4.5
95.08614	1.0
96.08145	0.9
97.06536	1.7
98.23306	0.3
98.59575	0.3
99.04440	0.7
102.09183	1.3
103.03976	0.3
105.03389	23.8
105.07015	1.8
107.04935	0.4
108.08115	0.4
109.06513	0.6
109.08894	0.4
111.08079	0.7
115.05441	0.5
117.07018	2.3
119.08604	0.5
121.06474	0.4
122.09697	0.5
124.11224	4.1
129.06996	2.9
131.08565	1.0
133.06456	1.0
133.10138	2.5
143.08553	0.8
145.10153	0.4
149.09657	0.4
155.08539	0.6
157.10129	0.9
171.11682	2.0
173.09570	0.4
180.53732	0.3
195.13770	0.4
254.85301	0.4
311.19815	0.4
356.25839	3.2
357.25800	0.4
374.26877	21.6
375.27203	2.1
392.27936	52.3
393.28247	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.279
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
55.01854	0.4
55.05507	1.2
56.05040	2.1
57.03433	0.9
58.06598	7.0
59.04994	0.5
65.03954	0.7
67.05499	2.0
69.03429	12.0
69.07067	1.0
70.06590	2.4
71.04983	0.7
71.07900	0.6
72.04493	0.3
72.08155	40.7
73.08483	0.7
79.05499	2.3
81.03419	1.0
81.07063	5.8
83.04980	0.6
83.08611	1.2
84.08134	3.8
85.08933	1.9
86.06053	0.4
86.09697	0.9
87.06850	0.9
88.07632	0.9
91.05480	43.5
92.05801	1.0
93.07040	0.9
95.04955	1.2
95.08602	1.6
97.06535	0.4
97.10181	0.4
99.04475	0.9
99.08099	1.2
100.07590	0.5
102.09177	90.1
103.05456	0.8
103.09508	1.4
105.07030	5.6
107.04952	1.5
107.08611	0.4
109.06517	5.3
111.04443	10.3
115.05466	1.0
117.07014	34.8
118.07352	1.1
119.08584	1.4
121.06496	2.0
121.10181	0.4
125.09604	0.5
127.07594	0.4
128.06197	1.3
129.07001	12.7
130.07353	0.4
131.08562	8.4
135.07938	0.4
137.05965	0.8
138.09175	0.9
141.07002	1.2
143.08563	12.7
144.08876	0.4
145.10161	0.8
155.08609	0.6
157.10118	2.8
171.11652	0.8
181.10172	0.7
183.11737	0.7
185.13239	6.4
186.13554	0.5
197.13277	0.8
203.14250	1.7
288.23276	0.5
299.20129	0.4
311.20029	7.9
329.21103	5.1
330.21567	0.4
356.25824	1.1
374.26901	4.6
375.27185	0.6
392.27921	100.0
393.28156	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	392.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.2
57.03439	0.2
58.06594	0.6
60.04537	0.1
62.06093	0.7
64.40300	0.1
65.03929	0.6
67.05507	1.2
67.06981	0.1
69.68226	0.5
72.08155	1.3
81.07039	0.1
84.08138	0.2
91.05484	2.0
95.04965	100.0
96.05282	2.4
102.09176	2.6
105.07018	0.1
109.06522	0.2
117.07019	1.1
118.08654	1.6
118.27962	0.1
119.08633	0.1
129.07010	0.2
131.08565	0.6
143.08563	0.3
191.06990	0.2
198.05376	0.1
220.27461	0.1
223.87303	0.1
228.23302	0.2
245.18564	0.1
285.95190	0.1
313.21588	8.6
314.21979	0.8
350.75140	0.1
392.27875	4.8
393.27954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36542	0.4
53.03951	0.7
55.01871	1.9
55.05514	0.5
56.05039	1.4
57.03430	1.4
58.06600	1.6
67.05503	1.5
69.07058	0.8
69.81053	0.4
70.06580	2.4
70.34353	1.0
71.04995	0.8
72.08157	100.0
73.08494	1.5
75.47678	0.4
79.05489	2.6
81.07066	2.4
83.04989	0.8
84.08133	1.5
86.09724	1.6
91.05479	11.3
92.20486	0.4
93.07035	3.2
95.04969	7.1
95.08624	1.8
96.08141	1.5
97.06537	3.1
98.09702	0.7
102.09181	6.0
104.33222	0.4
105.03390	8.2
105.04509	0.5
105.07030	3.9
107.04939	0.8
107.08581	1.0
107.27699	0.4
109.06517	3.4
109.08952	0.7
111.08073	1.1
115.05472	0.9
117.06992	3.6
119.08593	0.9
120.08100	2.9
121.10183	0.9
122.09686	0.5
123.08015	0.6
124.11222	6.4
128.06226	0.8
129.07001	6.7
129.07901	0.6
131.08592	1.9
133.06506	0.5
135.08090	1.0
139.07564	0.9
140.10649	0.4
141.06998	1.1
143.08574	1.7
147.08031	3.2
149.09653	1.1
157.10136	3.2
167.10640	0.7
171.11696	1.6
175.11256	0.8
181.10153	1.0
189.12773	0.6
195.13846	0.5
216.10611	0.4
217.12340	0.8
220.82051	0.4
253.16124	0.4
308.41510	0.4
311.20047	0.9
352.70724	0.5
353.20477	0.4
356.25830	8.7
357.26245	1.4
374.26904	31.4
375.27216	3.0
392.27966	55.5
393.23340	0.7
393.28217	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	392.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28921	0.2
55.05511	0.3
56.05040	0.6
57.03429	0.7
57.05811	0.3
58.04174	0.2
58.06599	0.4
62.22889	0.2
67.05499	0.6
69.40202	1.4
70.06598	2.2
72.08155	100.0
73.08493	1.7
74.80007	0.2
75.06396	0.2
79.05499	0.7
81.07076	0.4
82.06623	0.3
84.08137	0.6
85.66451	0.2
91.05480	4.2
93.07064	0.4
95.04962	1.7
95.08618	0.7
96.08167	0.4
97.06541	0.3
100.07599	0.4
102.09222	0.3
104.62682	0.2
105.07041	0.8
107.04887	0.2
107.08610	0.3
109.08930	0.3
109.10161	0.2
117.07006	2.0
119.08588	0.5
124.11243	2.1
129.07007	0.9
131.08580	0.8
143.08577	1.1
149.02351	0.3
157.10126	0.2
185.13289	0.7
235.95364	0.2
327.57278	0.2
342.28009	1.9
343.27728	0.3
356.30283	0.2
360.28952	40.5
361.29352	4.2
392.27185	0.3
392.31519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.11008	0.1
55.05512	0.2
67.05482	0.3
70.06590	0.4
70.43018	0.4
72.08160	3.4
73.08483	0.2
77.62336	0.2
79.05480	0.2
81.07056	0.4
84.08140	0.4
91.05478	0.7
95.04967	0.9
96.05327	0.2
102.09177	0.3
109.06474	0.2
117.07024	0.2
119.08546	0.2
120.08114	0.4
129.07030	0.2
129.10268	0.2
131.08589	0.2
143.00183	0.2
184.45541	0.1
203.05257	0.3
212.03413	0.1
231.13492	0.2
239.92857	0.2
245.94463	0.2
326.69717	0.2
375.27002	0.4
376.28406	0.7
393.18802	100.0
394.19193	9.3
394.29550	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	393.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96325	0.7
55.05503	3.2
56.05046	0.9
57.03442	0.9
57.07076	0.9
58.02947	1.6
60.04521	2.0
60.09878	0.8
61.02919	0.9
61.38283	0.6
64.61475	0.7
67.05504	1.4
68.05027	1.4
69.03426	4.1
69.07070	7.6
70.02938	1.7
70.06586	7.4
71.04999	1.5
71.08641	0.9
72.04522	9.0
72.07756	1.0
72.08155	19.4
73.02910	0.8
79.05496	1.1
81.03411	3.3
81.07047	1.4
83.39648	0.7
84.04484	0.9
84.08149	4.6
85.02909	7.4
86.06075	1.5
86.09706	91.4
87.05592	3.6
87.10043	2.1
91.05470	2.8
92.64307	0.8
93.07040	1.7
95.08601	0.8
96.04494	3.4
96.08127	3.6
97.02893	2.3
98.02413	2.5
98.09698	2.8
99.04468	1.4
100.11253	7.2
103.05475	1.4
105.07031	1.4
109.02843	0.7
109.10143	0.8
110.02390	0.8
110.06070	1.0
110.09684	2.0
114.09167	26.2
116.07105	0.9
117.07027	1.8
118.08663	1.5
119.08602	1.1
120.08108	33.4
121.08445	1.0
121.10143	0.8
126.09100	1.3
127.03905	1.7
127.93351	0.7
128.10719	100.0
129.10231	2.5
129.11089	2.4
130.06555	1.5
132.10175	2.1
133.10057	0.8
135.08075	1.3
138.09151	1.7
139.11137	0.9
141.10219	6.1
143.11777	3.6
149.06093	0.7
150.09148	2.1
152.10648	0.9
155.11790	6.0
156.06570	1.4
159.11713	1.0
160.09740	2.7
164.10753	4.3
166.08658	4.7
171.11458	2.1
174.11258	1.1
175.11899	0.9
177.10255	5.0
178.12187	0.9
180.10335	0.9
183.11253	4.7
185.16534	1.0
189.10991	0.8
189.12492	5.1
194.11612	1.1
196.09619	2.0
198.11320	1.0
200.13966	24.9
205.09705	1.8
212.12811	1.9
216.12407	1.2
217.09712	1.0
223.10791	2.3
224.14055	0.7
227.17496	5.4
228.13408	4.2
230.13956	3.6
231.17053	15.7
232.17340	0.9
255.17033	2.8
262.11929	1.4
263.17520	1.1
273.18085	62.1
274.18515	3.8
309.18045	13.7
311.19794	0.8
339.19135	0.9
357.20206	3.4
375.20868	2.6
393.14517	1.1
393.22552	3.3
393.30157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01866	0.9
55.05505	7.2
56.05031	1.9
57.03437	1.2
57.07064	3.0
58.02951	3.0
67.05507	1.2
69.03432	2.5
69.07069	3.5
70.02941	2.2
70.06595	6.9
70.44403	0.8
71.07374	1.0
71.29804	1.5
72.04511	1.6
72.08155	61.7
73.02914	0.9
73.08490	3.0
73.52149	0.8
74.02461	0.8
79.05505	1.6
81.03421	1.5
81.07040	1.0
84.08150	7.0
85.02904	6.2
85.04044	1.2
86.09705	86.6
87.05587	5.6
87.10048	2.0
88.03985	3.9
91.05466	3.4
93.07035	1.8
93.17169	0.8
94.06565	1.7
95.08601	1.7
96.08114	6.2
97.02901	1.9
98.02427	5.4
99.04458	1.0
99.05573	1.0
100.68201	0.9
103.05471	3.3
105.07068	0.9
110.02395	2.3
110.07155	3.5
112.11201	1.8
113.10848	1.6
114.09163	100.0
115.05060	1.8
115.09478	2.0
120.08102	90.0
121.08464	3.0
127.03906	2.0
128.10742	1.7
129.10245	3.5
130.06516	9.0
132.10211	6.2
138.09143	3.8
141.10217	8.5
143.08199	1.2
143.11789	1.8
144.08078	1.5
150.09116	7.6
155.11790	11.5
156.07712	2.9
158.06023	1.1
166.08626	5.0
172.07559	2.2
174.11258	4.6
175.08682	6.0
183.11292	7.3
190.08621	1.9
198.11246	2.1
200.13948	37.9
201.14244	1.4
204.06554	1.2
210.11237	1.7
212.12798	1.0
216.12376	5.2
217.09785	2.3
226.05128	1.0
227.17526	5.2
228.13417	5.9
231.17043	13.9
231.19147	1.6
234.12285	6.5
235.10730	16.2
255.17010	2.5
258.13324	0.8
262.11792	2.4
263.10269	2.9
273.18082	45.1
274.18396	2.6
279.17026	3.9
309.18082	10.6
311.19754	1.1
317.14941	1.3
339.18997	1.1
357.20239	2.0
359.15881	1.8
375.20386	1.2
375.29230	1.2
392.30109	2.5
393.22281	1.9
393.30338	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	393.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05032	1.7
56.96567	5.6
60.04521	0.5
60.05649	10.0
64.20982	0.4
65.88672	0.4
69.07078	0.4
70.06594	38.3
70.43835	1.0
71.04992	0.7
71.06906	0.8
72.08156	8.0
74.02421	0.7
74.06084	0.4
74.52719	0.4
84.04490	0.8
84.08147	7.1
85.02908	1.0
86.09718	3.0
91.05474	1.0
93.07006	0.5
95.06105	0.4
97.07663	0.8
98.97595	0.7
102.05547	0.5
103.05452	1.6
104.05358	0.7
110.07134	0.8
112.08734	5.7
113.07104	1.1
114.06615	0.5
114.10307	2.4
115.08694	5.2
115.26712	0.4
116.06316	0.8
116.07095	11.7
116.98649	0.5
120.08105	100.0
120.60788	0.4
121.08427	3.1
129.10245	3.7
130.08647	1.8
130.09756	4.5
131.04970	0.4
133.09717	1.0
136.07584	1.1
141.70294	0.4
147.11293	1.8
155.08052	0.4
157.10860	0.7
158.09242	11.6
165.10222	0.5
166.05325	1.2
166.08611	0.6
166.10004	0.6
173.12938	0.4
175.02760	0.8
175.11905	32.0
176.03090	0.6
177.00668	0.4
182.99667	0.6
190.09737	7.3
191.11801	12.2
193.03853	0.5
200.13911	0.5
201.00749	0.8
201.10223	0.8
201.12321	0.4
205.03802	0.5
210.18852	0.5
219.11284	3.7
219.14926	1.0
222.04361	1.5
223.04733	2.1
240.05440	1.8
241.05775	1.3
242.12653	0.5
247.14317	0.5
254.17429	0.7
287.14932	0.7
305.16040	4.0
322.18597	0.5
331.06915	0.5
358.18628	3.1
376.19785	3.1
393.22412	69.8
394.22720	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	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57105	0.5
53.00312	0.5
55.05514	6.6
57.03442	5.2
57.07082	39.2
58.07410	0.6
58.94917	0.6
61.63411	0.5
67.05511	12.2
69.07072	7.4
69.29672	2.4
69.30079	1.4
71.08636	25.8
79.05500	0.8
81.07066	17.8
83.08628	11.4
85.10186	14.8
89.06040	0.6
95.08614	24.5
97.10172	5.3
98.22656	1.1
98.98473	72.7
99.11719	1.0
109.10163	10.6
111.11731	1.7
116.99521	1.4
122.53673	0.6
123.11700	5.6
125.13295	1.3
129.56432	0.5
132.76328	0.6
136.40205	0.5
137.13254	2.1
151.14864	0.7
155.01050	100.0
156.01390	1.4
165.16339	0.8
221.22681	0.8
231.35448	0.6
239.23735	6.2
240.24033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
57.03442	6.8
57.07074	42.5
58.07409	0.8
67.05502	12.1
69.07075	6.3
69.15170	2.6
69.15584	2.1
71.08630	26.0
79.05473	1.0
80.26689	0.6
81.06582	1.0
81.07053	17.7
83.08151	1.0
83.08617	11.5
85.10181	14.7
86.10464	0.7
87.12518	0.6
93.07040	0.8
95.08606	28.4
96.08956	0.8
97.10172	5.8
98.98463	74.9
99.11752	1.3
102.80034	0.7
102.80708	0.7
109.10151	11.9
111.11699	1.1
112.22555	0.6
116.99488	1.9
121.61353	0.8
123.11702	5.2
125.13237	1.1
137.13254	1.8
151.14864	1.3
155.01033	100.0
156.01375	1.4
165.16356	0.9
191.84619	0.6
221.22641	0.9
239.23653	6.0
244.74367	0.6
279.80316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45874	0.7
55.05512	5.4
57.03440	5.4
57.07078	36.0
58.07387	0.8
61.17821	0.5
67.05510	11.3
69.07072	7.1
69.19553	3.1
69.19955	1.5
71.08636	26.2
72.08942	0.6
74.35481	0.6
79.05492	0.6
81.07061	15.2
82.07378	0.5
83.08620	11.4
85.10184	14.3
92.33169	0.6
93.07037	0.6
95.08608	24.9
96.08935	0.9
97.10172	4.7
98.98469	68.0
99.11733	1.3
107.74217	0.6
109.10155	11.2
111.11705	1.7
113.13259	0.7
116.99536	1.1
123.11739	4.9
125.13257	1.1
137.13246	1.9
139.38727	0.6
151.14822	1.2
155.01044	100.0
156.01453	0.7
165.16397	1.2
173.02116	0.6
221.22546	0.9
239.23724	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	393.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55957	0.2
55.05510	1.7
56.05037	2.9
60.10847	0.3
66.21499	0.3
67.05505	0.6
69.07047	0.7
69.59267	0.5
69.59674	1.0
70.06207	0.3
70.06592	7.1
71.06911	0.5
72.08156	14.6
74.06084	0.7
82.06585	0.7
84.04510	0.8
84.08142	100.0
85.06532	1.2
85.08035	0.3
85.08474	2.2
86.09703	6.4
87.05577	0.3
87.10034	0.3
88.55625	0.3
91.05447	0.3
94.06580	0.3
96.08138	0.5
97.02827	0.3
98.97566	0.6
100.07627	0.4
101.10782	4.6
102.05491	0.6
102.09166	0.5
103.05489	0.3
110.07173	0.5
111.09207	1.2
112.07604	0.8
112.11279	0.4
115.08697	0.5
116.07088	1.0
116.98611	0.3
118.08609	0.3
120.06663	0.6
120.08106	14.8
121.08469	0.5
127.08686	0.8
129.10239	70.9
129.92056	0.3
130.04991	0.5
130.06560	0.3
130.10588	1.4
132.08110	0.7
133.06018	0.3
136.07637	0.3
138.12772	2.8
145.09706	0.5
147.11359	0.4
148.06134	0.4
155.08220	0.3
158.99731	0.5
159.09184	0.3
165.13972	0.4
166.08650	1.3
167.15359	0.4
169.39783	0.3
175.11946	0.6
183.14925	6.2
187.08643	0.2
193.24025	0.3
200.17580	0.5
210.15967	2.3
211.14415	2.3
219.14850	1.5
228.17061	6.0
229.17484	0.4
231.14922	0.5
233.16519	2.2
242.10374	0.3
246.12453	0.4
246.18240	0.8
247.14665	0.7
255.11380	0.8
259.24026	0.3
261.16180	0.4
265.13165	0.3
265.15491	1.8
278.12439	0.3
295.13028	0.7
343.96991	0.3
376.22491	0.7
393.25183	12.4
394.25168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41395	0.4
54.43618	0.5
59.80267	0.6
64.98643	0.4
67.36475	0.4
70.33759	1.0
143.75845	0.4
225.43492	0.5
238.88924	0.4
393.26120	100.0
394.26465	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
57.07080	0.7
67.05505	0.7
67.77078	0.5
68.71516	0.5
69.07057	0.8
69.44630	1.8
69.45034	1.4
70.29911	0.5
81.07053	2.1
91.05514	0.6
93.07050	0.8
95.04990	0.6
95.08610	1.3
95.18253	0.6
97.10230	0.6
98.23318	1.1
105.06996	0.6
107.08608	0.8
109.10124	0.7
119.08566	1.0
121.10108	1.0
145.10011	0.6
146.86710	0.6
155.01033	0.9
162.98094	0.6
193.64076	0.5
319.22964	0.6
393.26117	100.0
394.26443	9.2
418.86176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	1.9
60.25244	0.3
63.37977	0.3
69.07905	2.5
69.08319	0.5
76.07041	0.4
80.94866	0.5
91.19796	0.3
98.98486	0.8
124.43398	0.4
130.76135	0.3
139.79688	0.3
148.15068	0.3
149.05981	0.8
150.69823	0.3
155.01033	1.7
242.11447	0.4
293.73621	0.4
309.20178	0.6
317.23013	0.4
375.19983	0.8
375.24878	1.0
376.25784	0.4
393.26114	100.0
394.26471	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80762	0.5
55.05237	0.5
55.05501	1.0
57.07062	0.6
57.84079	0.5
58.61812	0.6
61.72641	0.4
67.05495	1.8
69.07074	1.2
71.30407	0.5
79.05514	0.5
81.07072	2.3
86.22788	0.6
91.05473	1.9
93.07060	1.2
95.04974	0.8
95.08600	2.1
97.10149	0.5
98.98463	0.7
105.07021	1.1
107.08582	0.9
119.08614	1.2
121.10204	0.7
129.10262	0.6
131.08578	0.7
133.10130	0.8
145.10104	0.7
155.01010	0.6
159.11742	0.6
185.13434	0.6
241.73901	0.5
393.26099	100.0
394.26511	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	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.5
64.60150	0.4
69.32359	2.4
95.08667	0.5
98.22550	0.5
155.01088	0.8
222.05742	0.5
319.22672	0.5
323.24939	0.4
376.25873	0.5
393.26132	100.0
394.26511	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12391	0.5
57.07055	0.7
59.55143	0.6
70.14840	2.0
74.99922	0.6
79.46259	0.5
83.08579	0.7
98.23285	0.7
131.56805	0.7
155.01047	0.6
168.21194	0.7
318.07837	0.6
360.85565	0.6
375.11798	0.6
393.26077	100.0
394.26453	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.4
55.05505	24.2
57.07069	24.7
67.05507	36.9
69.07065	19.7
70.06573	8.1
71.00913	7.1
71.29908	8.2
72.08147	36.6
79.05487	50.6
81.07064	52.9
82.07386	8.2
85.06508	9.0
91.05491	69.1
92.05822	13.2
93.07057	86.1
94.07425	8.3
95.04970	79.4
95.08608	55.4
98.98472	8.4
103.05542	6.1
105.07037	100.0
106.07382	10.8
107.08612	63.6
108.81535	6.8
109.06551	14.1
109.10162	21.7
111.08044	7.5
115.05489	10.3
117.07019	33.5
119.08598	88.1
120.08099	26.4
120.08881	13.1
121.06502	16.6
121.10159	43.6
128.06209	16.2
129.07034	21.9
130.07698	7.4
131.08554	48.4
132.08936	7.4
133.10153	55.4
135.08017	8.1
135.11720	23.3
142.07797	33.5
143.08536	34.5
144.09015	13.3
145.10132	74.0
146.10489	9.0
147.11702	22.3
149.09633	8.3
149.13258	11.3
155.01077	15.8
155.08549	18.7
156.09322	21.3
157.10150	64.8
159.11723	47.3
160.11989	8.7
161.09657	18.2
163.11163	9.1
169.10146	22.4
170.10678	11.1
171.11705	25.1
172.12485	6.6
173.13284	21.8
174.13594	6.8
175.14835	15.7
179.08580	11.6
181.10106	14.4
182.10843	10.6
183.11684	14.1
185.13249	10.8
187.11287	11.0
192.29370	6.7
193.10178	9.5
193.39479	7.0
193.41438	8.1
195.11624	7.1
197.13277	19.2
198.13614	9.6
199.14752	9.4
201.16380	10.0
209.13245	19.2
210.13898	7.3
211.14792	15.4
223.14885	11.6
225.16154	10.5
334.23203	8.5
375.26819	9.0
393.26083	71.4
394.26141	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76639	1.6
50.88690	1.4
51.02380	2.1
52.72751	1.5
53.03944	5.5
54.35564	1.5
55.01867	2.4
55.05507	23.9
57.03425	6.8
57.07075	40.9
59.04982	1.8
62.28659	1.5
65.03931	4.5
67.05503	44.1
69.03426	6.0
69.06717	2.9
69.07069	27.5
70.07803	1.6
71.04987	2.7
71.08630	24.6
71.31480	2.2
77.03888	2.0
79.05059	3.2
79.05491	40.3
80.39440	1.5
81.03396	2.8
81.07052	76.4
83.04980	5.5
83.08613	15.7
85.06538	5.2
85.10179	15.0
89.06036	4.4
91.05476	61.9
92.05791	1.6
93.07041	89.0
94.07346	2.3
95.04964	55.3
95.05557	3.2
95.08603	71.8
96.05309	2.0
96.08947	2.0
97.06530	12.5
97.10165	5.8
98.98466	54.2
103.05463	5.0
105.04551	3.3
105.07029	100.0
106.07339	3.0
107.04955	1.9
107.07861	2.4
107.08590	50.2
109.06530	12.9
109.10149	36.5
111.08073	4.1
111.11736	2.9
113.00021	15.2
115.05454	4.8
116.06247	2.0
116.99428	2.0
117.07011	23.6
119.06125	2.1
119.08577	95.0
121.06506	22.6
121.10135	40.2
123.08064	5.9
123.11720	14.6
128.06198	10.4
129.07010	18.8
130.07784	7.6
131.08575	46.6
131.09326	1.1
133.06497	2.4
133.08630	2.0
133.10130	49.9
134.10558	1.7
135.08073	4.5
135.11713	22.7
137.09619	5.0
137.13229	3.2
141.06990	9.4
142.07784	28.6
143.08569	37.4
144.09338	8.8
145.06543	3.7
145.10121	71.0
146.07346	2.0
146.10535	5.0
147.08026	5.8
147.11685	21.2
149.09641	6.8
149.13255	4.6
153.07069	3.6
154.07744	4.4
155.01036	71.3
155.08510	11.7
156.09351	15.2
157.10123	48.5
158.10869	6.6
159.08070	5.5
159.11700	43.5
159.86768	1.6
160.12152	2.2
161.09612	19.4
161.13266	7.5
163.11215	5.4
165.07033	4.9
166.07744	3.8
167.08559	8.9
168.09314	3.4
169.02647	11.4
169.10115	25.5
170.10896	6.8
171.11673	21.0
171.72331	1.6
172.08891	3.2
172.12318	3.3
173.09576	3.2
173.13234	20.6
175.11205	6.5
175.14835	12.8
178.07797	2.0
179.08556	6.9
180.09235	3.2
181.10121	11.3
182.10881	5.8
183.11702	16.0
184.08917	2.2
184.12387	3.1
185.13231	12.9
187.11208	6.7
187.14825	11.2
189.12805	2.4
189.16382	2.1
191.14241	2.3
192.09337	3.8
193.10129	7.3
194.10892	5.0
195.11682	11.5
196.12456	4.8
197.13213	12.0
198.13802	2.7
199.14789	8.0
201.12796	3.8
201.16403	7.4
205.10080	2.5
206.10745	2.2
207.11696	7.2
208.12422	4.1
209.13292	13.0
210.14011	2.9
211.14844	7.6
213.16364	4.9
213.18358	2.1
215.14218	2.3
217.15817	2.1
219.17555	2.6
220.12392	2.5
221.13280	6.3
222.13962	2.1
223.14813	6.6
224.15588	2.5
225.12851	2.5
225.16420	5.4
227.14294	3.2
232.12427	1.8
233.13242	2.7
235.14813	4.4
237.16338	3.8
239.17935	2.9
239.23676	5.4
241.19583	3.0
248.15440	2.1
251.18005	2.7
253.15950	4.9
253.19543	3.4
255.17618	2.6
261.16309	1.6
265.19608	3.6
266.20383	1.9
277.19577	1.8
284.21268	1.7
295.20700	2.0
375.26703	4.9
377.32736	2.8
393.16617	2.3
393.20935	2.5
393.27631	13.0
394.28906	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	393.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01872	1.1
55.05502	2.1
56.05038	1.3
57.03430	1.8
57.05807	0.5
57.07081	0.6
58.06600	1.3
62.06087	1.2
65.03927	0.8
67.05507	9.1
69.03413	1.0
69.07052	1.4
70.06590	4.2
71.04993	3.3
71.07359	2.2
71.08613	0.5
72.08157	100.0
73.08479	2.3
79.05494	6.2
81.07059	6.5
82.06512	0.5
83.04994	1.5
83.08646	0.7
84.08166	2.7
86.09700	6.3
88.07645	1.6
88.82378	0.5
91.05483	10.1
93.07044	6.4
95.04980	2.4
95.08599	4.4
96.08106	0.6
97.06552	2.3
98.09734	1.0
100.07573	0.7
100.22808	0.5
102.09177	6.9
103.27224	0.5
105.07023	2.6
106.33500	0.5
107.08595	3.2
109.10143	2.2
110.09702	0.9
111.08099	0.6
117.07000	3.7
118.07377	0.6
119.08605	1.8
120.08136	1.5
121.10164	1.1
124.11243	1.4
129.07010	1.4
129.10272	1.5
131.08575	3.0
143.08575	1.7
145.10120	1.2
147.11710	0.6
149.02348	3.3
149.13292	1.0
155.01094	0.8
156.10159	0.6
157.10211	0.8
160.88618	0.5
161.13254	0.5
175.11687	0.5
176.12910	0.8
185.13374	0.7
193.04967	4.9
220.38719	0.9
228.23303	2.0
245.18895	0.8
263.64273	0.5
275.55945	0.5
330.27728	1.2
331.28036	0.5
348.28931	4.3
357.26202	0.6
358.27408	3.3
366.29999	10.5
367.30600	0.7
375.26553	0.8
375.30426	1.1
376.28467	11.8
393.22632	2.1
393.31183	75.6
394.25522	1.7
394.30356	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78597	0.3
55.05511	3.0
57.07075	37.4
58.07397	0.8
59.04992	0.4
65.54921	0.4
67.05504	1.0
69.07064	2.2
71.08630	26.5
72.08968	0.4
73.06557	4.3
74.80663	0.4
79.05493	0.8
81.07053	1.1
83.08615	2.5
85.10179	18.1
87.04456	1.7
89.06029	100.0
90.06345	2.2
91.05441	0.4
91.07607	1.0
93.07015	0.7
95.04969	0.9
95.08589	1.3
97.10177	2.0
98.23357	0.9
98.98457	1.6
99.11732	3.5
105.07032	0.8
106.99132	0.3
107.07071	3.4
107.08569	0.7
109.10149	1.0
111.11721	0.5
113.13284	1.2
117.07029	0.4
117.09137	1.5
119.08578	1.3
123.11679	0.5
130.08656	1.6
131.08586	0.5
133.08598	38.8
134.08945	1.0
143.08519	0.4
145.10138	0.7
147.11638	0.4
149.17618	0.3
151.09653	3.2
155.01009	1.9
155.17932	1.7
157.10144	0.6
177.11223	6.5
177.12646	0.7
195.12241	2.1
199.20686	0.8
227.20216	0.5
239.14899	8.6
243.23184	0.9
349.29248	0.4
393.26855	0.6
393.31921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.5
55.01867	8.2
55.05506	5.1
55.85976	1.5
56.69408	1.8
57.03442	4.9
57.07076	24.1
69.07076	4.7
71.08630	19.5
81.03425	9.5
81.07058	2.2
83.08614	4.0
85.10186	12.6
87.32304	1.4
89.06040	1.4
92.89047	1.4
95.08614	3.0
97.10196	3.2
99.04396	1.8
99.11771	2.7
106.78016	1.6
107.08587	1.5
109.02876	22.9
109.03577	2.0
115.03924	9.5
123.04465	2.1
127.03916	100.0
141.05472	4.3
145.04987	1.8
155.07034	2.7
162.91646	1.4
169.08618	7.7
183.10170	10.8
195.12302	2.0
197.11702	10.6
211.13306	6.5
225.14896	5.2
239.16422	7.0
253.18074	9.0
267.19623	8.9
281.21115	8.3
295.19763	1.6
295.22791	5.9
309.24249	5.0
323.25824	4.1
337.27371	5.2
393.33600	19.4
393.39157	8.9
394.34119	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1974
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
53.03965	0.8
53.96551	0.4
54.00527	0.5
55.05510	6.4
56.05035	2.9
57.03450	1.2
57.05443	0.6
57.05825	1.0
58.06606	0.8
60.04536	0.6
60.38146	0.6
61.02941	1.3
67.05521	1.0
69.03446	2.1
69.07062	2.6
70.06586	5.6
70.06895	0.5
70.56992	1.3
71.05008	0.7
72.08154	67.4
73.08517	1.7
79.05544	0.6
81.03426	1.0
81.07069	2.4
83.08619	0.9
84.04501	20.4
84.08134	3.3
85.02894	5.6
85.04848	0.6
86.09705	18.8
87.10063	0.6
91.05481	2.4
92.08826	0.6
93.07055	2.8
95.08080	0.8
95.08593	3.8
97.02917	1.8
102.05538	13.7
103.05437	4.1
105.07014	1.0
110.07207	0.5
118.08651	13.6
118.09461	0.5
119.08589	0.8
120.08102	100.0
121.08440	4.8
127.03936	0.7
129.10257	1.7
135.21826	0.5
136.07545	1.2
138.09123	2.7
145.04942	0.6
155.11736	0.8
156.10175	2.3
161.13220	1.9
166.08641	13.2
167.09032	0.8
183.11278	7.9
185.16443	1.8
186.09164	7.0
196.16971	14.4
197.17320	0.8
201.12326	17.1
204.10136	1.9
211.10660	1.9
213.15868	0.6
214.16122	0.9
214.18024	12.5
215.18260	0.7
217.13560	0.9
219.14786	1.7
229.11833	7.9
231.09261	0.8
231.11281	12.2
232.19057	25.5
233.16374	8.1
233.19211	1.6
234.16754	1.3
247.12709	1.1
249.10025	0.7
249.12326	9.7
259.10623	2.1
261.15851	1.6
262.16104	0.7
265.15509	2.5
274.19989	1.1
277.11823	4.5
281.11188	0.5
295.12802	0.8
358.21964	1.7
376.22879	1.8
376.30023	0.9
394.20837	21.2
394.31668	4.1
395.21225	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	394.1977
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
54.91534	5.0
60.86383	5.5
61.71115	4.7
69.19428	13.3
69.19833	24.9
70.06568	9.2
72.08164	5.7
82.06596	5.0
84.08138	8.2
86.09717	18.9
88.03964	7.6
89.01700	5.2
91.05486	7.9
92.27599	5.2
93.07000	5.5
98.22600	10.5
103.05483	6.3
106.62457	5.8
120.08111	100.0
120.08932	8.5
130.06561	24.0
162.29305	5.9
175.08751	19.6
190.08592	6.5
200.13623	5.1
235.10736	72.9
263.10284	9.3
313.88617	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	394.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39352	0.5
51.98811	0.5
56.05047	0.9
61.58823	0.5
66.37031	0.5
68.06746	0.4
69.07071	2.3
69.09145	4.9
70.02954	2.2
70.06594	3.3
70.22575	0.5
72.08147	3.6
73.02921	4.7
79.05475	0.6
81.07050	0.9
84.08144	1.8
85.04041	1.5
86.09709	78.0
87.10042	1.7
88.03995	13.9
91.05483	3.2
93.07048	1.4
94.33404	0.5
95.05017	0.5
95.08613	0.6
96.04502	0.6
96.08141	4.3
97.31788	0.5
98.02422	5.4
100.03975	4.9
103.05471	3.1
103.70948	0.5
105.07036	0.7
107.04913	0.9
110.02397	0.9
110.09654	1.0
113.10780	2.9
115.05071	0.7
120.08109	63.0
121.06511	0.5
121.08443	3.0
124.07620	0.6
128.03484	0.6
130.06534	6.5
131.04971	0.5
132.10199	1.1
138.09169	5.6
141.10233	13.6
142.08629	1.7
144.08076	2.0
155.11768	0.9
156.10210	12.2
166.08644	18.2
167.08995	1.1
172.07585	1.7
175.08722	4.1
183.11282	8.8
184.09662	4.0
190.08633	2.3
201.12347	100.0
202.12634	4.2
217.09734	1.2
218.08287	0.5
229.11844	15.3
235.08409	1.1
235.10762	18.8
235.13068	1.1
236.11166	0.9
245.09482	0.6
258.70795	0.6
263.10291	2.2
279.17029	1.9
330.18094	0.8
351.26202	0.5
376.24808	0.7
389.55420	0.6
394.25967	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	394.1975
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
55.01871	0.5
55.05510	6.6
56.05033	2.6
57.03423	1.3
57.05842	0.5
58.06594	1.0
59.57814	0.5
60.04506	1.0
61.02932	0.7
67.05492	1.8
67.57588	0.4
68.86566	0.4
69.03416	2.0
69.07068	2.4
69.41631	3.1
70.06593	5.1
71.04993	0.8
72.08156	55.5
73.02914	0.7
73.08496	1.4
79.05491	1.1
81.03400	0.8
81.07051	2.8
83.04975	1.2
83.08627	1.1
84.04505	15.5
84.08156	2.9
84.08558	0.5
85.02905	5.8
85.04850	0.5
86.09706	27.9
87.10032	0.6
88.04012	0.6
91.05481	1.5
93.07045	1.9
95.04985	0.6
95.08602	4.4
97.02867	2.3
97.06535	0.5
97.10136	0.6
98.09702	0.8
98.22560	0.6
102.05529	8.4
103.05453	3.4
105.07038	1.0
107.08588	1.0
109.02865	0.9
109.10174	0.9
110.07153	0.5
114.07519	0.5
118.08653	12.3
120.08104	100.0
121.08430	4.6
121.10144	0.8
127.03918	1.3
129.10236	1.3
131.08545	0.4
133.10204	0.7
134.08119	0.7
136.07565	1.5
137.09567	0.5
138.09148	2.2
144.12131	0.6
145.04941	0.8
156.10178	1.2
161.13217	1.9
166.05347	0.6
166.08632	8.2
179.14250	0.7
183.11267	4.9
185.16544	3.1
186.09120	4.0
196.16963	15.3
201.12347	14.3
204.10205	1.3
211.10776	1.1
213.15926	1.1
214.18019	15.4
215.18330	1.2
219.14944	3.9
229.11813	5.5
231.11267	9.6
232.11647	0.7
232.19066	30.1
233.16493	15.4
233.19156	0.9
234.16814	1.2
247.12874	2.0
249.12337	7.3
256.19107	1.0
259.10797	2.0
261.16031	3.3
265.15549	1.1
274.20029	0.8
277.11853	2.6
333.42325	0.5
349.18527	0.6
358.22092	1.6
376.23465	1.7
376.30637	1.5
394.21344	8.9
394.25061	2.7
394.31592	11.0
395.22406	1.2
395.31998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.8
56.05039	1.3
67.05502	0.8
68.73822	0.5
69.07066	2.9
70.06596	6.1
72.08155	67.9
73.08487	2.8
79.01189	0.4
79.05482	0.7
81.07031	0.9
83.06124	2.8
84.04508	3.6
84.08148	2.2
85.02902	0.7
85.04865	0.7
86.09705	100.0
87.10011	2.8
91.05463	1.3
93.07054	0.8
95.08609	1.9
97.02869	1.1
98.97562	0.7
101.07145	0.6
103.05481	1.1
110.07143	0.7
110.70023	0.6
116.07020	0.6
119.04926	1.1
120.08105	30.2
121.08452	3.3
123.04447	1.3
123.08061	0.5
129.10193	1.4
133.92871	0.5
136.07591	6.4
138.09120	1.2
139.09441	0.7
140.07005	0.5
147.04376	1.0
155.11850	0.5
165.05467	4.0
166.08594	2.1
167.08954	1.4
182.08109	5.7
182.12839	1.3
183.11250	1.4
183.13123	0.9
184.11655	1.0
185.16489	47.7
186.09122	0.5
186.16772	2.5
196.16957	4.4
201.14259	0.6
210.12302	0.6
213.15985	17.6
214.16203	0.7
214.18019	1.4
226.07175	0.5
227.08092	1.4
228.10168	1.0
233.16504	8.0
234.16750	0.6
242.10170	0.6
255.11136	2.2
260.79865	0.5
261.15845	1.6
273.12256	2.0
281.11615	2.9
281.14651	2.5
295.16470	1.9
358.22452	2.6
359.48218	0.5
376.23145	1.5
394.24347	2.6
394.31198	1.2
395.07214	2.1
395.22455	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	394.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
56.05035	11.0
56.67537	0.7
57.03432	0.9
58.06594	6.7
67.05499	2.3
69.03487	3.5
69.03915	4.9
69.07068	2.2
70.06580	4.9
72.08162	18.3
74.06083	23.6
79.05466	1.8
81.07051	2.6
82.06572	1.4
83.14380	0.8
84.04511	9.6
84.08127	3.1
85.61527	0.8
86.06064	3.2
86.09711	51.0
87.05576	1.6
87.10026	1.1
91.05473	5.1
93.07021	2.2
95.08591	2.1
96.08112	1.1
98.09704	2.6
100.07629	2.1
100.11291	1.0
101.07149	26.3
102.05515	1.0
102.09126	0.9
103.05452	3.6
105.03423	1.3
105.07020	1.7
107.04933	1.4
109.06499	1.2
110.07166	1.1
117.06997	1.0
119.08570	1.4
119.82394	0.8
120.08111	82.5
121.06509	3.7
121.08447	3.6
124.11233	1.7
126.09126	2.5
126.12794	2.9
129.10245	2.3
131.04898	1.3
133.10147	1.3
142.12289	12.1
143.11792	7.6
145.10089	1.5
163.07568	2.8
163.11183	1.2
169.13382	1.9
180.10204	58.4
181.10516	3.0
184.17226	0.9
187.14423	100.0
188.14774	4.7
215.13942	21.5
216.14264	1.4
285.11163	1.6
293.18570	3.6
302.29721	0.8
305.21365	1.0
312.07809	0.9
358.23535	1.3
376.24472	1.7
394.26117	9.1
394.29904	1.9
395.16370	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	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01873	1.1
55.05508	3.7
56.05036	1.5
57.03444	3.4
57.07060	0.5
58.06588	2.0
60.04510	1.8
61.02921	2.3
67.05516	3.8
69.03426	6.8
69.07066	7.0
70.06593	9.5
71.04991	1.5
72.08157	12.4
73.02905	1.4
78.38033	0.5
79.05499	1.7
81.03423	4.1
81.07066	7.3
83.08614	2.6
83.33617	0.6
84.04500	1.4
84.08147	3.1
85.02907	16.5
85.06538	0.8
86.06073	0.8
86.09708	10.9
87.04474	1.6
87.05607	0.7
87.10040	0.7
91.05482	1.5
93.07054	2.7
95.08614	11.0
97.02900	7.7
97.06522	1.3
97.10168	1.8
99.04471	1.4
105.07024	2.0
107.08609	1.2
109.02875	2.1
109.06444	0.8
109.10142	2.4
115.03915	0.7
116.07094	0.6
119.08567	2.2
120.08109	11.7
120.08924	1.1
121.08454	1.6
121.10139	1.4
123.08083	0.7
127.03905	3.3
129.10251	1.2
133.10126	1.6
135.11687	1.5
136.07567	1.3
137.09668	0.7
137.13252	2.2
145.04941	2.3
149.13260	0.8
151.14769	0.6
151.68886	0.5
161.13280	5.7
167.08075	0.7
168.17409	0.8
170.17572	0.5
178.15990	0.6
179.14345	3.6
181.48334	0.5
185.16454	3.7
196.16977	42.6
197.15506	1.0
197.17343	2.2
200.55284	0.5
213.16045	1.4
214.18019	44.5
215.16466	1.1
215.18370	2.8
229.78426	0.5
232.19077	100.0
233.16502	1.7
233.19414	6.0
238.17950	1.0
256.19000	2.2
274.20163	2.1
281.11435	0.7
312.27371	0.5
358.22253	3.0
376.23447	3.1
376.30377	1.0
380.81146	0.5
394.24283	17.1
394.31586	5.8
395.23453	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	394.2587
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
51.61445	0.2
53.03949	0.2
55.01877	0.4
55.05502	0.2
56.05036	0.6
56.95547	0.2
57.03437	0.4
57.05814	0.7
58.06614	0.5
67.05507	0.7
69.04645	1.2
69.05073	0.4
69.07075	0.3
70.06595	2.6
71.04993	0.3
72.08157	100.0
73.07848	0.3
73.08488	1.5
73.99732	0.1
78.27071	0.1
79.05482	0.8
81.07056	0.8
83.04978	0.1
84.08151	1.2
85.02924	0.2
86.09705	0.6
91.05484	1.1
93.07042	1.2
95.04984	0.5
95.08605	0.8
96.08134	0.5
97.06532	0.3
98.09692	0.2
99.04436	0.2
100.07644	0.4
105.03409	0.2
105.07047	0.5
107.04940	0.3
107.08592	0.5
109.06560	0.2
109.08988	0.2
110.09698	0.2
111.04462	0.2
111.08123	0.2
117.07037	0.7
119.08561	0.3
120.08107	0.7
121.06534	0.2
121.10114	0.2
124.11228	2.5
125.05931	0.2
129.06985	0.2
129.10289	0.2
131.08575	0.7
137.05945	0.3
137.09601	0.2
138.41100	0.2
143.08556	0.2
145.10167	0.5
149.09659	0.2
159.08038	0.4
177.09068	0.8
191.10712	0.2
201.12381	0.2
234.13518	0.2
257.00647	0.2
302.91733	0.2
358.27484	0.2
376.24796	1.7
376.28635	0.3
394.25858	47.4
395.21011	0.4
395.26181	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	394.2588
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
55.05508	3.1
58.06596	5.4
62.22860	2.6
67.05498	2.9
69.90448	2.5
69.90797	9.0
70.06594	6.2
72.08144	9.3
75.19101	2.1
81.07034	5.7
84.08145	19.2
92.97182	2.1
93.07043	3.2
95.08580	3.0
107.08558	3.0
112.11179	2.4
120.08096	3.2
169.41618	2.3
180.88022	2.4
223.32393	2.8
253.01817	2.3
284.02640	2.2
332.25888	14.8
376.24792	29.5
394.25812	100.0
394.30728	5.1
395.26215	11.3
397.06262	2.9
403.08710	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	394.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
56.05051	0.9
57.03438	5.2
58.06587	1.9
59.35943	0.7
62.06091	70.9
65.03939	1.0
67.05512	5.8
69.07067	2.0
69.35848	5.3
71.04987	1.0
72.08152	22.0
75.04459	0.8
76.55901	0.8
79.05494	4.0
81.07066	4.9
83.08586	1.0
84.08163	1.1
91.05478	57.1
92.05818	1.1
93.07050	2.2
95.08615	7.3
97.06516	3.5
97.10132	0.8
98.22589	1.2
99.08089	1.4
102.09179	18.7
103.05470	1.1
105.07023	7.1
107.04931	0.8
107.08604	1.1
109.10162	2.2
111.08053	0.9
115.05471	1.7
117.07014	35.6
118.07384	0.9
119.08566	1.5
121.06479	1.3
121.10145	1.3
123.11591	0.8
128.06186	2.0
129.06992	12.1
131.08565	12.8
135.11716	1.3
143.08562	13.0
144.08957	1.2
145.10172	1.3
157.10117	7.6
171.11694	1.9
185.13312	6.0
203.14398	1.8
231.17213	1.0
239.60555	0.8
275.20074	0.8
315.23135	5.1
318.16879	0.8
376.28436	14.6
377.28946	0.9
394.29517	100.0
395.29855	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.05511	0.7
56.05032	0.9
56.78458	0.3
57.03434	1.4
57.05816	0.5
57.07083	0.3
58.06607	1.9
62.57265	0.3
64.63030	0.3
67.05510	1.9
69.03426	0.5
69.07082	0.6
70.06594	2.9
70.18237	0.4
70.18592	0.7
71.04987	3.0
71.06950	0.2
71.07358	0.6
72.08154	100.0
73.08493	1.6
75.43158	0.2
79.05491	1.4
81.07051	2.3
82.06591	0.5
83.08636	0.5
84.08157	2.2
85.06543	0.5
85.08924	0.3
86.09692	2.7
88.28262	0.2
91.05479	15.5
92.05804	0.4
93.07020	1.7
95.04979	0.9
95.08602	2.0
96.08121	0.6
97.06521	1.6
98.09688	0.3
98.22610	0.3
99.04452	0.5
102.09160	0.4
105.03411	0.7
105.07024	1.8
107.04961	0.7
107.08614	0.6
108.08128	0.3
109.08910	0.3
110.09686	0.4
111.08075	0.4
113.09623	0.3
115.05465	1.1
117.07011	8.8
118.07331	0.3
120.08118	1.1
121.06511	0.4
121.10125	0.6
123.08088	0.4
124.11225	2.3
127.03915	0.3
128.06163	0.4
128.10722	0.3
129.07011	2.4
129.10307	0.4
131.08568	2.3
135.08151	0.3
141.06987	4.6
143.08557	2.1
145.10109	0.7
147.08051	0.3
151.11086	0.3
155.08554	0.9
157.10100	2.0
157.80780	0.3
159.11642	0.4
167.08618	0.3
169.10097	1.2
171.11671	0.4
181.10133	0.7
183.11728	1.0
195.11671	0.3
219.97403	0.3
288.25333	1.0
304.93085	0.3
334.52826	0.3
340.26370	1.1
358.23737	0.4
358.27377	9.4
359.27695	0.8
376.24677	0.8
376.28485	20.5
377.28787	2.1
382.96027	0.3
394.29559	45.3
395.20096	1.9
395.29984	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
55.61673	0.6
56.05027	1.5
57.03423	1.5
57.07073	2.8
58.06598	4.0
58.09235	0.5
63.06668	0.5
65.03935	2.2
67.05505	3.0
69.03424	1.3
69.07080	1.2
69.78694	1.3
69.79089	0.8
70.06592	10.7
71.04982	1.5
71.07397	1.0
71.08627	1.1
72.08155	100.0
73.08479	0.9
77.38470	0.5
79.05498	1.3
81.03396	0.7
81.07033	2.9
83.04988	1.6
84.08150	2.0
84.33563	0.5
84.96098	0.5
85.08932	0.6
85.10192	0.6
86.09719	2.2
88.07632	11.0
88.08154	0.9
91.05481	27.7
92.05836	0.7
93.07047	1.3
95.04958	9.3
95.08592	1.8
97.06542	1.0
100.07624	2.0
102.09178	24.2
103.09515	0.7
105.07025	3.1
107.04945	0.7
113.66303	0.5
115.05458	0.8
116.10717	0.6
117.07011	12.7
121.02891	0.7
122.09711	0.6
124.11020	0.5
128.06215	0.7
129.06995	3.9
131.08562	6.0
132.10216	0.6
141.06963	0.6
142.25287	0.6
143.08531	5.4
144.08911	0.6
145.10170	0.8
149.02338	46.1
149.03380	3.2
150.02719	1.3
157.10092	1.4
176.12866	1.9
180.60849	0.6
185.13252	1.7
193.04962	50.4
194.05376	1.4
228.23212	25.8
229.23640	1.3
245.19070	1.7
288.23242	0.7
358.27325	1.7
365.39703	0.6
376.28439	66.3
377.28699	6.6
394.25772	34.1
394.29684	45.2
395.20309	1.9
395.25964	2.4
395.30493	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	395.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40746	1.0
58.99866	3.2
59.73150	1.2
70.47897	3.3
82.99855	2.4
94.99865	1.3
101.00880	33.1
102.09229	1.0
113.00867	13.7
117.03998	5.0
119.01920	43.1
120.02000	1.5
125.00887	1.1
127.02403	10.9
129.03949	2.2
131.01904	32.7
131.02815	2.3
132.02000	1.5
135.05042	2.0
137.02951	3.8
141.03987	3.9
142.66127	1.1
143.01883	11.0
144.01962	1.4
145.03461	51.4
146.03612	3.6
147.01413	1.4
147.05019	2.3
149.02965	2.8
153.03990	2.6
155.01909	10.3
157.03455	4.2
159.05034	23.3
160.05173	1.1
161.02960	16.5
162.03156	1.3
163.04489	9.1
169.02014	2.5
169.03461	44.4
170.03700	1.9
171.01387	5.7
171.05040	12.3
173.02945	14.7
175.11821	1.8
178.36082	1.2
181.03493	12.9
185.02963	7.8
187.04521	71.2
188.04662	4.5
189.02443	15.2
189.06078	3.3
191.03966	2.0
197.03043	1.7
199.04510	26.0
200.04628	1.9
200.66142	1.3
201.02481	2.5
203.03978	4.1
207.03552	4.8
213.02415	15.7
214.02335	1.3
215.00407	2.3
215.03946	1.8
217.05579	3.5
221.04990	2.6
225.02521	8.0
229.05608	3.7
231.03500	23.6
232.03592	2.2
233.01434	2.8
239.06001	1.2
243.03534	7.8
251.02498	1.9
257.01563	6.4
261.04581	2.6
269.01385	1.8
275.02457	100.0
276.02615	7.8
287.02472	50.4
288.02695	3.7
289.07590	3.8
291.05475	1.2
293.03525	22.9
294.03543	1.8
297.06100	1.4
297.60410	1.2
305.03503	14.2
311.04672	2.7
317.03336	1.8
333.06882	1.5
335.04559	6.1
359.04633	6.3
377.05649	8.3
393.94638	1.3
395.06711	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	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45673	0.9
61.10650	0.8
70.06600	2.3
70.08629	2.9
72.08157	4.7
74.14921	0.9
78.83159	0.8
81.66228	0.8
84.04494	0.9
84.08157	1.7
86.09689	2.4
151.52979	0.9
175.03889	1.4
185.04233	3.5
217.04846	1.0
219.06610	1.1
232.07065	12.8
233.07883	9.9
242.75137	0.9
248.59795	1.1
364.11282	2.4
394.31586	3.2
395.13129	100.0
395.32172	1.7
396.13400	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	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57661	0.8
55.05507	3.0
55.93515	3.2
56.05024	3.4
56.94287	0.8
58.06615	1.0
60.04504	1.7
60.05652	5.4
69.03422	2.2
70.02946	1.1
70.06596	16.7
70.95866	1.0
71.28891	0.8
72.05640	0.9
72.08159	32.0
72.93785	2.1
73.06450	1.3
73.08479	3.2
74.06084	9.2
81.03432	2.3
84.04092	1.0
84.04514	8.3
84.08147	12.9
85.02895	1.9
85.04018	2.0
86.07191	4.6
86.09720	9.4
87.05561	1.7
87.07966	2.1
89.03912	2.1
90.94823	1.9
91.05482	8.3
93.07019	1.6
97.02899	2.1
97.07656	2.6
98.02380	1.3
98.06042	2.3
100.07610	1.3
100.08729	1.3
101.07123	1.5
102.05528	3.1
103.05467	2.8
104.05272	0.8
105.03394	0.8
107.04945	1.7
110.07188	4.2
112.07596	2.6
112.08723	2.0
113.07100	0.9
114.10294	16.1
114.11086	0.9
115.08688	2.0
116.07083	1.9
117.03407	4.5
119.04941	15.2
120.08107	78.2
121.07659	1.2
121.08450	13.4
127.08636	0.9
129.06618	0.9
129.10255	9.0
130.05000	1.2
130.10599	0.9
131.12939	4.5
132.95807	0.9
135.04405	2.7
136.07585	23.1
139.08580	0.9
140.07042	3.7
143.11742	1.1
144.95831	2.7
145.02852	19.1
146.06023	4.2
147.04410	14.1
147.07695	0.8
148.06110	1.5
149.05971	1.7
157.03932	1.8
157.06044	0.9
158.08058	0.9
158.97360	2.5
159.04324	1.6
159.07678	2.3
161.02377	1.5
161.05919	1.0
163.03926	13.3
166.08661	7.7
168.06763	0.7
170.09239	1.3
173.05943	2.0
173.09108	0.8
175.03912	34.9
175.05443	1.7
176.04694	9.8
177.05475	17.0
178.23094	0.8
180.06567	2.0
185.09232	1.4
186.03131	1.3
186.09105	0.8
187.03899	1.5
188.07094	1.1
191.08182	1.1
191.11774	5.7
201.05437	9.3
203.10242	3.2
205.09752	0.9
205.96593	3.2
206.97371	1.4
213.08669	2.0
216.13338	1.0
219.06526	34.1
219.11208	2.2
219.14857	4.0
220.06851	1.0
220.15274	8.7
221.12767	1.2
223.10716	1.7
223.97690	2.2
228.13899	0.8
231.09486	1.3
232.14063	1.6
232.97343	1.9
233.04440	2.9
233.09102	1.7
234.96957	4.2
234.98898	1.4
243.82379	0.8
244.31010	0.9
246.11215	1.3
247.14566	1.8
248.14796	2.0
248.94858	1.0
249.12236	1.0
249.15791	1.2
250.11870	9.1
250.98418	1.0
251.97208	3.5
252.97913	8.2
265.07056	20.3
265.94833	1.0
267.13364	2.0
268.97375	2.1
269.98187	2.0
275.97153	3.3
277.16394	1.2
278.11810	0.9
288.13464	1.9
288.98068	1.1
293.98209	1.1
296.96915	1.1
305.16031	6.6
306.16885	6.2
307.17587	7.0
308.14911	1.6
318.98849	1.1
326.16360	0.8
329.98187	3.1
332.16055	1.1
336.14713	1.4
336.99948	1.2
347.99045	0.8
377.18198	1.8
378.16483	5.8
395.00870	3.7
395.19177	100.0
396.01440	11.3
396.19696	8.7
396.24710	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	395.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.9
55.01900	0.8
55.05529	1.0
56.05019	3.9
57.03461	1.0
58.02978	1.5
58.06613	2.5
60.04549	2.5
60.05673	0.8
68.05047	1.6
69.03417	3.5
69.07069	3.2
69.21632	3.1
69.22034	1.8
70.02973	1.3
70.06595	10.3
71.08665	0.7
72.04519	8.0
72.08150	6.3
73.02941	1.0
74.06079	13.4
74.60343	0.6
81.03441	2.6
81.07103	0.7
83.04968	0.6
84.04498	3.2
84.08145	6.2
85.02909	7.0
86.06073	2.4
86.07203	1.0
86.09704	51.7
86.74476	0.7
87.10059	1.1
88.04025	1.2
89.03962	0.7
91.05493	2.3
93.07085	0.8
96.04523	1.8
97.02906	3.3
98.06055	7.4
98.09702	2.3
98.23373	1.3
99.04453	0.8
100.07634	1.2
100.08791	0.7
100.11259	5.2
101.07154	1.1
102.05569	2.5
108.04483	1.4
109.02853	1.4
110.06036	1.8
110.07193	1.2
110.09718	1.4
111.04473	0.7
112.03984	0.9
113.02351	0.6
114.10284	5.6
115.08684	1.0
116.07092	8.5
117.03396	2.4
119.04949	6.5
120.06581	3.9
120.08098	4.5
121.08459	1.3
126.05537	1.2
127.03914	2.5
128.10715	100.0
129.10240	3.0
129.11066	2.6
130.05000	1.5
131.12935	1.1
132.10201	3.3
135.08113	0.7
136.07574	4.4
138.05533	0.9
142.12231	0.8
145.02859	9.7
147.04440	4.7
148.05176	0.7
149.05954	0.7
152.10751	0.8
155.04033	0.6
156.06503	1.1
157.04022	0.9
162.03116	1.1
162.07613	3.8
164.10690	4.4
173.06032	1.2
175.03896	15.1
176.04742	3.3
177.05478	9.1
177.36539	0.7
177.44035	0.7
187.14398	4.8
194.11694	1.0
198.07593	1.4
201.05469	4.1
211.14313	1.7
212.12675	1.3
215.13892	4.6
216.01366	0.7
219.06520	14.3
229.13533	0.7
229.15472	5.0
230.11931	0.6
230.13841	5.3
233.04349	0.7
233.12813	1.3
233.14967	19.5
234.15115	1.0
239.13631	0.9
243.26558	0.7
248.14815	0.9
251.09256	1.1
257.14905	9.4
265.04495	0.9
265.07059	10.8
275.16000	47.1
276.16119	2.9
288.13266	0.7
293.14905	1.1
305.15732	1.7
306.16678	1.3
311.16000	9.4
312.15955	0.9
335.15216	0.8
336.14005	1.2
341.16629	2.1
356.24014	0.7
359.17694	3.0
377.18787	0.8
378.16156	2.6
395.13211	1.1
395.18762	31.2
396.18939	2.4
396.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2041
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
53.03914	0.3
55.05505	0.8
57.03436	0.3
58.06589	0.9
59.04997	0.4
61.59878	0.3
62.70667	0.2
63.31863	0.2
67.05499	1.3
67.19556	0.3
69.03427	0.4
69.07066	0.7
70.00163	0.7
70.00542	0.6
70.06578	1.3
71.05000	0.4
72.08155	12.9
73.08493	1.7
73.08820	0.3
79.05509	1.4
81.03455	0.3
81.07035	1.8
83.04984	0.5
83.08642	0.3
84.08138	1.2
85.08907	0.3
86.09705	0.5
91.05488	2.1
92.05854	0.7
93.07028	1.8
95.04961	1.5
95.08607	1.1
96.08118	0.3
97.06549	0.8
98.09669	0.5
105.07039	1.0
107.04948	2.1
107.08588	0.7
108.08156	0.3
109.06499	0.6
109.10181	0.5
117.07001	0.9
118.07349	0.4
119.08586	1.3
121.06516	0.4
126.09180	0.3
131.08585	0.6
133.06512	0.5
133.10115	1.2
135.08101	0.3
135.11703	0.7
139.11147	0.4
141.07008	0.3
143.08575	0.4
144.10248	0.4
145.06487	0.5
145.10156	1.1
147.08035	0.6
147.11790	0.4
157.10127	0.3
159.11674	0.3
163.11189	0.8
173.09634	0.4
187.11243	0.3
203.05315	2.8
215.14169	0.3
233.11707	0.4
354.17200	0.3
359.27869	0.9
368.26605	0.7
376.28488	1.1
377.24341	0.5
377.28812	4.9
394.29529	0.9
395.20395	100.0
395.29672	7.8
396.15985	0.4
396.20715	7.4
396.27161	2.1
396.31192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
67.05489	0.4
69.07045	0.5
70.06593	0.8
71.04965	0.2
72.08157	5.9
73.08489	1.0
79.05495	0.7
81.07040	0.6
81.17386	0.2
83.04987	0.4
84.08138	0.5
86.09697	0.3
91.05468	0.8
93.07041	0.4
95.04961	0.5
95.08597	0.8
100.11275	0.2
105.07001	0.5
107.04956	1.6
107.08596	0.6
108.05249	0.5
109.06543	0.2
109.10197	0.2
110.07145	0.2
117.07014	0.3
119.08598	0.4
120.08105	0.4
121.10144	0.3
129.06961	0.3
130.10580	0.3
131.08572	0.3
133.10130	0.3
135.08099	0.3
135.11653	0.2
136.07594	0.2
143.08589	0.4
145.10175	0.7
147.11691	0.3
151.04611	0.2
159.11752	0.4
163.11121	0.2
180.06592	0.2
182.15343	0.3
197.13441	0.4
203.05286	3.2
219.06430	0.2
229.38164	0.2
233.11748	0.2
233.15334	0.2
242.60414	0.2
253.19516	1.1
259.07898	0.2
308.15091	0.2
359.27600	0.2
377.28836	1.2
394.29242	0.3
395.20383	100.0
395.29422	4.1
396.20691	8.3
396.25223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2038
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
52.39233	0.2
55.01867	0.4
55.05502	0.4
63.43524	0.2
67.05489	0.5
69.03419	0.2
69.07078	0.4
70.00592	0.7
70.06588	0.3
70.24083	0.2
72.08157	2.2
73.08483	0.2
79.05470	0.3
81.07053	0.5
83.04984	0.3
84.08141	0.4
89.42773	0.2
91.05470	0.7
93.07067	0.4
95.04942	0.3
95.08597	0.3
105.07032	0.7
106.31882	0.2
107.04950	0.4
107.08586	0.5
109.06534	0.3
110.07129	0.3
115.03923	0.4
118.23936	0.2
120.08085	0.3
121.10152	0.2
129.10266	0.2
131.08585	0.4
133.04935	0.5
133.10121	0.3
137.04012	0.2
139.03787	0.3
141.20486	0.2
143.08598	0.2
145.10095	0.3
149.02341	0.2
163.11221	0.3
173.09607	0.3
189.09186	0.3
203.05263	3.4
240.74779	0.2
273.09558	0.2
356.06140	0.3
359.27643	0.3
364.93506	0.3
377.28656	0.3
394.29504	0.2
395.20374	100.0
396.15857	0.4
396.20801	8.3
396.26410	0.7
396.31317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29400	0.3
55.05502	0.4
58.06609	0.5
67.05499	0.8
69.03448	0.2
69.07051	0.5
69.48099	1.5
70.06590	0.7
72.08155	12.5
73.08478	1.6
79.05486	0.6
81.07043	0.9
83.04986	0.5
84.08127	0.6
86.09700	0.6
91.05480	2.7
92.05800	0.9
93.07055	0.8
95.04973	0.9
95.08614	1.1
97.06521	0.4
99.55896	0.2
102.01691	0.3
102.09208	0.4
105.07041	0.9
107.04939	0.3
107.08601	0.6
109.06499	0.3
109.10197	0.3
111.16429	0.2
117.07011	0.9
118.07260	0.4
119.08589	0.4
121.10118	0.4
129.07034	0.4
131.08534	0.6
133.10150	0.6
143.08614	0.3
145.10135	0.5
159.11765	0.3
171.11676	0.5
187.11119	0.3
284.05042	0.3
359.27692	1.0
376.28577	0.5
377.28793	3.2
394.29532	1.6
395.20364	100.0
395.29056	10.8
396.20718	7.5
396.25952	0.3
396.30826	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03775	0.5
53.04018	0.8
55.01947	0.6
55.05308	1.1
55.05597	2.9
56.04867	0.4
56.05092	0.8
57.03521	1.0
57.63411	0.4
58.06676	0.7
62.19725	0.4
65.04009	0.7
67.05225	1.1
67.05605	4.2
68.05129	2.2
69.03529	1.5
69.07166	3.9
70.06693	4.6
71.30489	0.6
72.08257	6.0
79.05108	0.7
79.05604	5.2
80.05101	1.1
81.03495	0.9
81.05875	1.1
81.07169	4.0
82.06689	3.0
83.05067	0.7
83.08735	0.7
84.08262	2.3
85.03025	1.9
86.09816	2.3
91.05598	2.9
93.07161	5.2
94.06690	4.2
94.74122	0.4
95.05094	1.6
95.07475	1.5
95.08731	3.6
96.08258	9.9
96.92649	0.5
97.03002	0.6
97.06620	0.6
98.09783	0.9
105.07043	2.2
107.07475	1.8
107.08723	2.0
108.08250	5.5
108.28850	0.4
109.03033	0.6
109.08921	2.6
109.10255	0.8
110.07172	3.5
110.09818	2.9
111.04513	0.8
112.11364	1.3
113.02502	2.2
114.09263	0.9
117.07079	0.6
119.08688	1.3
120.08102	2.8
121.06644	0.6
121.10234	0.9
122.09808	4.0
123.04572	2.7
123.10551	1.1
124.11323	0.9
127.04013	0.6
127.10042	1.0
129.58464	0.5
131.08670	0.9
133.10124	0.8
134.09753	1.2
136.07693	1.2
136.11365	1.1
137.06111	1.3
140.10783	0.9
147.08115	0.5
147.11768	0.6
148.11310	0.7
149.09721	0.6
150.12830	0.6
151.07660	0.5
152.14522	1.4
156.07780	1.1
161.09721	0.5
164.14497	0.7
175.07483	0.6
177.09212	0.8
178.16147	0.5
180.06688	1.3
194.08255	0.9
206.19289	0.5
217.12392	1.3
220.20636	0.5
223.10893	0.9
235.13420	0.7
238.07162	1.1
248.16310	0.6
248.20161	2.2
264.16086	2.0
266.21329	0.7
267.73349	0.6
273.11292	0.7
276.19617	0.8
286.21674	0.8
288.23233	6.6
289.23529	0.6
290.24933	0.8
294.20892	0.6
300.19727	0.6
306.24289	1.0
308.15021	1.6
314.21091	1.4
316.22672	12.8
317.23169	1.3
332.22144	0.9
334.23746	29.7
335.24158	2.1
352.24808	100.0
353.25177	9.8
360.21445	1.6
378.22617	1.6
396.23718	56.7
397.19012	0.8
397.23859	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	396.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05512	7.7
56.05025	3.5
58.06601	11.0
67.05511	1.6
69.00849	3.5
69.01276	4.4
69.03428	1.1
69.07063	1.9
70.06598	9.4
72.08155	28.9
73.08488	1.9
73.83690	0.7
74.06084	4.6
74.54169	0.7
74.85765	0.8
79.05494	2.3
80.05010	1.0
81.03409	4.9
81.07066	2.3
83.08630	1.4
84.04498	4.0
84.08141	32.2
85.02888	1.3
85.08484	1.3
86.09705	10.4
87.10023	1.0
91.05477	6.3
93.07034	2.3
94.06580	1.0
98.06030	1.0
101.07134	1.5
102.05550	1.1
105.07043	2.0
107.04930	1.4
107.08607	2.5
108.04482	7.3
108.08152	0.9
110.06032	1.1
110.07165	2.5
110.09702	1.3
112.11243	49.8
113.11572	1.8
116.07137	1.2
119.04952	1.8
119.08646	1.0
119.48766	0.8
120.08132	6.3
121.06569	1.1
121.08467	3.0
122.09614	1.1
129.10284	2.1
129.13857	9.5
132.10196	1.3
133.10150	3.3
134.06038	1.5
134.09610	0.8
135.06834	1.1
136.03964	3.9
136.07573	15.9
136.11272	0.9
143.08589	2.6
145.64337	0.9
148.07556	2.3
150.09131	10.9
152.07057	1.4
152.14334	4.8
161.09625	2.0
162.09149	3.4
162.12779	1.3
164.10793	1.7
166.08696	1.2
174.09196	2.6
180.06529	5.5
190.12263	13.8
192.06525	1.5
192.10211	3.8
193.09695	1.0
194.08176	3.7
206.11807	3.7
207.14885	6.1
208.09778	2.9
210.11140	1.2
218.11745	13.2
224.17589	15.3
224.19785	1.6
232.19054	1.2
234.19656	0.9
236.12801	1.8
237.12320	15.3
238.07101	6.3
251.13750	1.1
260.16434	5.7
264.15982	10.4
265.11905	1.1
270.24307	0.9
278.17514	23.1
279.17725	1.6
295.20111	1.9
308.14868	10.7
323.72858	0.9
325.17581	2.3
334.25018	3.8
335.23230	21.8
336.23508	1.6
350.22867	0.8
352.25937	100.0
353.26193	8.9
379.22263	4.3
396.24957	36.9
397.25174	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	396.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80279	0.9
53.03947	4.5
55.05519	13.3
56.05024	3.4
58.06604	5.2
68.05040	1.2
69.03447	0.9
69.07079	1.6
70.04532	0.9
70.04973	0.8
70.06595	13.3
70.33669	2.5
72.08159	78.5
73.08488	1.9
74.06067	3.5
79.05507	2.0
80.05021	1.0
81.03419	9.6
81.07052	2.7
81.98486	0.8
83.08625	4.1
84.04514	2.3
84.08144	17.3
86.09710	8.7
91.05483	5.0
95.41270	1.1
97.02898	2.6
98.09702	2.1
101.07151	2.0
105.07055	2.8
107.04955	1.3
107.08596	1.5
108.04479	17.6
108.08155	1.2
110.06054	1.2
110.07176	3.6
110.09700	4.5
112.11247	20.7
119.04931	1.5
119.08588	1.8
120.08107	6.1
122.06039	2.3
122.09722	1.0
124.07658	1.1
125.02382	2.6
129.10260	2.0
129.13907	2.7
131.08565	1.5
133.10118	1.3
134.06033	2.2
135.06781	1.3
136.03944	10.8
136.07579	45.0
137.07953	1.4
138.05467	2.2
140.03476	1.2
140.07030	1.6
141.10265	2.2
143.08600	1.0
146.02409	0.9
148.07561	6.3
150.09093	1.3
152.03435	3.6
153.09169	1.5
161.09630	1.4
162.12794	2.8
164.03400	4.1
166.05037	1.6
168.06567	2.1
169.09740	2.4
174.09106	1.2
176.10733	1.7
180.02994	2.1
180.06593	2.8
182.04507	4.8
187.14418	1.6
188.10690	1.0
190.12267	31.5
191.12598	1.4
192.02963	1.1
192.06532	5.7
192.13994	1.0
194.04530	1.3
194.08133	31.8
195.08578	1.5
196.04250	1.0
196.09669	4.8
196.17104	1.0
199.09642	1.8
206.08270	1.7
207.14980	1.6
210.04027	1.0
218.11755	22.8
219.12080	1.2
234.11346	1.8
236.12778	4.3
237.12331	9.1
238.07097	53.5
239.07426	1.2
240.08798	1.6
246.14902	2.0
249.16000	2.9
251.13870	8.1
252.08566	1.5
252.97871	1.1
262.10782	5.1
262.14557	1.0
263.17642	1.1
263.97195	0.9
264.15952	100.0
265.11984	1.3
265.16260	7.6
268.16562	12.0
281.18600	7.9
282.18323	1.7
295.16537	1.0
308.14923	61.0
309.15158	4.5
322.16504	2.1
325.17578	16.1
326.17972	1.3
335.23267	32.2
336.23706	2.4
352.25940	26.8
353.26376	2.3
379.22290	18.9
380.22705	1.8
396.24954	88.0
397.20645	1.7
397.25293	8.4
407.24655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38170	0.5
50.70905	0.5
51.84973	0.5
55.05516	3.3
56.05043	4.1
58.06602	2.6
69.07052	1.2
69.58168	1.2
69.58566	1.1
70.06599	8.6
71.06896	0.7
72.08158	60.2
73.08475	0.9
74.06086	9.8
74.83011	0.5
79.42050	0.6
80.05000	0.9
81.07021	1.5
83.08607	1.5
84.04501	3.7
84.08147	5.9
86.06027	1.3
86.09707	20.0
87.05583	0.7
89.24653	0.6
90.87411	0.5
91.05463	1.5
97.02905	0.5
98.09641	1.2
100.07645	0.6
101.07146	9.0
110.07168	1.5
110.23766	0.5
112.07663	0.6
112.11237	1.5
114.70710	0.6
116.07087	1.1
119.04957	1.0
120.08123	0.9
122.02403	0.7
123.04412	0.9
126.09135	0.7
126.12773	1.0
129.10193	1.5
133.25253	0.5
134.05968	0.6
136.07581	4.9
142.12259	3.8
143.11792	2.8
148.07558	1.1
152.03421	8.4
162.12688	0.7
163.03874	0.9
163.66005	0.5
164.03465	1.0
164.17900	0.6
165.05489	1.8
168.17198	0.6
170.04379	1.1
176.10757	0.9
180.03285	2.7
180.06557	100.0
181.06882	3.3
182.04506	1.4
182.08177	3.1
187.14421	38.0
188.10693	0.7
188.14740	1.0
190.12234	0.9
192.06522	3.0
193.07344	1.1
194.08095	0.6
203.65260	0.6
204.10359	0.5
213.12462	0.8
215.13910	8.8
216.14520	0.6
234.11440	4.8
238.07101	24.3
239.07484	0.8
251.13934	8.2
252.14125	0.9
262.10733	1.7
268.16586	1.2
308.14926	73.8
309.15250	4.8
325.17572	11.2
335.23434	0.6
352.25989	0.7
379.22278	28.0
380.22498	2.9
396.13782	1.6
396.24957	44.5
397.20410	3.4
397.25293	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01862	1.6
55.05514	2.5
55.72578	0.5
56.05030	1.2
57.03435	0.8
58.06587	1.9
65.03948	0.8
67.05508	5.4
69.03432	0.7
69.07051	1.6
69.39648	3.8
70.06592	3.7
71.05000	3.3
72.08157	67.3
73.08475	1.2
79.05489	3.9
81.03416	1.3
81.07050	4.6
82.06566	0.6
83.04991	1.1
84.04523	0.6
84.08142	4.9
86.09710	2.3
89.83840	0.5
91.05482	5.5
92.16266	0.5
93.07032	4.8
95.04970	100.0
95.08605	3.0
96.05307	2.8
96.08170	0.7
97.06537	1.5
98.09701	1.2
98.23385	0.6
99.04497	1.0
99.33794	0.5
100.11260	1.6
102.09183	12.1
102.09854	0.8
103.05487	0.8
105.07011	2.9
106.07343	0.6
107.04971	2.7
107.08607	2.0
109.06520	1.3
109.10195	0.9
110.07169	2.1
111.04467	0.8
111.08108	1.3
112.11261	1.5
116.67973	0.5
117.07008	1.7
119.05006	0.9
119.08593	2.1
120.08134	4.7
121.06503	1.3
121.10169	0.5
122.09694	2.4
124.11259	2.4
125.06042	1.3
127.07603	0.7
129.07013	1.1
129.13966	0.6
131.08585	1.8
133.10155	2.2
135.08072	1.3
135.11705	0.6
136.04013	0.7
136.07585	1.1
137.06007	0.6
137.09642	0.6
139.07582	0.9
140.10725	0.7
143.08551	1.3
145.10133	1.0
147.11633	0.6
149.09686	0.5
157.10138	0.7
159.08003	0.7
159.11682	0.9
160.11520	0.6
161.09679	1.6
175.09947	1.1
177.09128	0.6
179.10565	0.5
180.06586	3.5
183.11751	0.9
188.10751	1.6
190.12320	0.8
194.08203	1.2
218.11981	0.6
233.15367	0.6
238.07182	1.9
239.16405	0.8
249.12289	3.3
251.14088	0.7
251.16522	0.9
264.16016	2.1
308.14917	4.0
315.19513	0.7
325.17792	0.8
333.20593	7.3
334.20923	0.8
335.23282	1.0
350.26602	0.5
352.25693	2.5
360.25302	5.1
360.29123	1.1
365.08066	0.6
378.26352	27.7
379.22302	1.3
379.26746	2.2
396.19235	3.9
396.27530	78.3
397.18295	0.6
397.27921	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	396.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01872	2.4
55.05516	7.3
56.05026	2.3
57.03437	7.4
58.06608	7.8
60.70635	0.9
67.05512	9.2
69.03415	1.7
69.07070	2.2
70.06590	8.6
70.85645	2.0
71.04990	2.6
71.07362	1.7
72.08157	87.1
73.08486	1.2
75.03256	1.3
77.03918	1.1
77.56806	1.0
79.05494	18.6
81.03413	2.0
81.07060	38.3
82.07397	1.2
83.04982	4.1
83.08612	2.8
84.08146	13.0
85.08926	8.0
86.09682	4.9
91.05496	7.8
93.07051	5.8
95.04969	11.9
95.08611	11.8
96.08117	1.3
97.06532	1.9
97.10162	2.4
98.09688	7.5
102.09213	2.5
105.07036	4.2
107.04955	72.1
107.08593	3.7
108.05307	2.0
109.02914	1.3
109.06522	3.1
109.10172	1.6
110.07175	3.2
111.08094	1.1
112.11269	1.7
114.09141	1.3
117.07004	1.4
119.04948	4.0
119.08568	1.9
120.08102	3.2
121.06532	3.8
121.10130	2.4
122.09695	1.5
123.04385	1.6
123.11774	1.3
124.11240	4.4
125.09619	2.6
131.08537	2.5
133.06488	11.0
133.10170	1.9
135.08041	1.3
135.11659	1.4
137.06088	1.4
145.06499	4.0
145.10158	2.0
147.08075	2.8
159.08098	5.1
161.09540	1.0
173.13179	1.1
196.17026	5.3
201.12740	7.1
219.13820	3.4
223.15387	1.2
235.09442	1.2
235.13065	11.4
266.24887	1.9
268.57330	1.1
283.48224	1.1
294.24213	1.3
297.21988	1.6
314.37683	1.1
315.23206	3.9
352.25226	1.5
352.91696	1.1
360.28958	63.4
361.29178	5.7
378.30096	100.0
379.26303	1.7
379.30392	11.1
396.27090	29.4
396.31146	57.8
397.18011	7.8
397.27316	3.6
397.32089	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	396.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
57.07076	24.4
59.05003	1.2
68.25993	1.0
69.07063	1.6
69.60188	1.8
69.60593	3.5
71.08231	1.8
71.08629	29.4
73.06548	3.7
81.07052	1.7
83.08618	4.0
84.37386	0.9
85.10183	26.0
87.04478	2.0
87.68791	0.9
89.06030	100.0
90.06369	2.0
91.05494	1.9
95.08575	1.2
97.10145	1.2
99.11720	3.0
107.07052	2.1
115.72414	0.9
117.09074	1.5
119.08604	1.2
130.08676	1.3
133.08603	44.5
134.08971	1.2
141.16356	4.2
151.09666	4.4
169.10117	1.0
177.11214	12.7
185.18999	3.8
195.12274	2.7
224.08186	1.0
229.21581	5.4
239.14879	19.9
273.24231	2.2
335.27994	1.2
379.30502	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	4.9
56.96576	27.1
60.04517	4.6
66.88230	3.0
70.06588	48.2
71.28395	3.5
71.28797	4.7
72.08148	13.4
72.93802	4.4
83.06097	10.1
84.04500	7.1
84.08136	33.0
84.96033	10.0
86.09710	18.7
91.12273	3.2
93.04519	7.4
95.06079	6.4
97.02901	7.4
98.06035	4.5
98.97581	52.7
99.04414	3.5
110.07166	100.0
110.97567	18.6
111.09203	4.1
112.08739	5.1
116.07070	4.2
116.98647	16.1
119.02074	2.8
120.08105	9.9
121.08406	4.4
128.98627	18.9
129.10245	14.5
132.95840	5.6
134.99634	6.5
135.04324	3.5
136.07588	9.7
143.00127	4.5
145.02882	4.6
146.99596	4.5
147.04446	5.5
155.01489	3.1
156.07658	16.6
157.09666	6.2
158.99658	5.3
161.01234	8.8
163.03926	29.7
170.09203	6.1
177.00743	6.3
186.96974	3.6
201.00623	4.0
209.01227	3.5
212.02354	15.2
212.12784	3.5
213.12231	5.5
219.01768	30.9
223.15540	5.6
223.60387	3.7
230.03322	4.4
234.97020	7.1
234.99077	7.1
237.02791	37.1
249.10045	3.5
251.14986	8.1
252.97910	13.8
253.00241	5.2
268.07825	3.7
271.01401	6.5
289.02283	7.8
308.87723	3.2
338.05661	10.2
356.06509	16.2
379.21097	4.0
390.21216	3.9
396.18954	4.3
397.02039	14.5
397.18207	34.2
397.25983	4.3
415.05722	11.4
423.62589	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	397.0897
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
56.96571	9.9
69.21230	5.7
70.06596	58.0
71.12706	5.5
71.28882	7.8
72.08174	7.4
75.68695	5.8
84.08157	13.5
98.97600	14.3
105.61294	6.3
106.63670	6.7
110.07159	11.7
116.98632	10.5
158.99564	7.1
161.01315	7.1
188.37903	6.4
210.17230	6.4
211.02686	6.6
222.48807	5.8
229.15515	18.7
237.02570	6.9
253.04092	14.2
256.02722	8.3
271.04855	42.7
397.08521	68.7
397.14688	100.0
398.09222	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	397.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01856	0.6
55.05506	0.8
56.05035	1.6
57.03434	1.2
57.05809	0.3
58.06602	0.8
58.95840	0.4
64.54566	0.4
65.03940	3.0
67.05507	1.9
69.03433	4.7
69.07075	0.8
70.06604	2.5
71.04995	1.6
72.08160	22.0
79.05495	1.5
81.02980	0.7
81.03422	8.7
81.07063	0.9
82.03727	0.4
83.04958	0.5
84.08147	36.4
85.02908	12.6
85.03436	0.5
85.08479	0.5
86.09718	4.3
87.04429	0.3
91.05484	100.0
92.05824	2.9
93.07049	1.8
95.04982	1.0
95.08616	1.3
97.02888	1.5
97.06544	0.7
98.09713	0.7
98.23473	0.7
99.04463	7.0
103.03946	11.6
105.07038	3.3
107.08627	1.1
108.04482	0.9
108.08087	0.4
109.02872	7.0
109.06507	0.4
110.06067	0.7
110.07191	1.6
111.04446	0.5
112.11234	0.4
117.07025	1.0
119.04944	0.4
119.08602	1.0
120.08083	0.7
121.06516	1.1
121.10162	0.4
123.04456	0.5
124.11227	0.6
127.03917	20.6
128.04268	0.6
129.07024	1.9
130.08662	1.8
133.06535	0.5
133.10173	0.9
135.08073	0.4
135.11716	0.5
136.07564	0.6
143.08549	1.8
145.04961	2.5
145.06548	0.5
151.04065	0.3
157.06464	0.5
161.09589	0.4
163.05962	0.4
171.08076	1.2
173.06013	0.4
175.07541	1.0
187.06046	2.6
199.07579	1.8
206.11739	2.4
211.10457	0.4
213.68028	0.4
217.08653	2.4
217.12331	0.4
224.12973	0.6
235.13319	0.7
244.16867	0.5
271.08215	0.4
289.19131	0.8
307.20224	3.4
335.19662	3.0
335.23584	0.7
351.19153	1.8
353.20776	2.4
353.25183	2.0
362.26767	0.7
379.26630	0.5
380.28027	3.7
397.19543	6.3
397.27548	1.3
397.31702	0.5
398.20334	0.8
398.29037	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	0.6
55.05502	1.3
56.05035	4.4
57.03435	1.0
58.06581	0.5
58.13533	0.2
59.47574	0.2
61.22900	0.2
65.03945	1.7
65.19076	0.3
67.05507	2.3
69.03430	2.8
69.07069	1.0
70.06596	2.3
71.04987	1.1
72.08157	12.2
74.02442	0.4
79.05486	2.1
80.05034	0.5
81.03416	4.3
81.07053	2.1
82.06592	1.1
84.04495	0.3
84.08143	100.0
85.02422	0.5
85.02903	5.7
85.06532	0.6
85.08475	1.9
85.08914	0.4
86.09187	0.2
86.09700	5.0
91.05480	45.8
92.05804	1.5
93.07042	2.1
94.07332	0.3
95.04980	0.7
95.08614	1.3
96.08129	0.5
97.02893	1.1
97.06492	0.3
98.09692	0.4
99.04454	3.4
100.07621	0.3
102.47896	0.3
103.03943	5.3
105.07041	2.4
107.08598	1.6
108.04467	2.1
109.02896	3.1
110.06061	1.7
110.07170	1.7
111.04470	0.3
112.07610	0.3
112.08721	0.3
115.05489	0.4
117.07005	0.8
119.08567	0.8
120.08122	0.4
121.06510	0.4
121.10162	0.5
124.11245	0.5
127.03911	10.7
128.06268	0.4
129.07014	1.2
130.08638	4.4
131.08615	0.5
133.08931	0.4
133.10132	1.1
135.08072	0.3
135.11739	0.4
136.03984	0.7
136.07593	0.9
137.06039	0.3
140.07091	0.3
143.08575	0.8
145.05006	1.0
145.06416	0.4
147.08018	0.4
152.03432	0.7
157.06516	0.4
161.09590	0.8
161.10776	0.4
171.08054	0.5
174.09164	0.7
175.07539	0.5
175.11189	0.4
176.10718	0.7
178.12259	0.6
187.06073	1.1
187.10956	0.4
192.10239	0.5
196.21616	0.3
199.07648	1.0
204.10181	0.3
206.11766	7.1
207.12097	0.3
208.13237	0.3
217.08626	0.9
217.12325	0.6
219.11406	0.3
224.12857	1.0
227.17522	0.6
235.13388	1.0
244.17026	1.0
250.10782	1.0
251.15083	0.3
260.16364	0.7
262.17953	0.4
268.11884	0.5
271.08209	0.3
289.19196	3.4
290.17435	0.7
307.20166	11.0
308.20532	0.9
335.19601	8.2
335.23257	0.4
336.20047	0.6
351.19125	7.2
353.20749	4.7
353.25146	1.6
380.27954	3.2
397.19681	12.9
397.24213	0.8
398.20261	1.2
398.29083	10.1
420.41135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2697
Annotation	1-Hexadecyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.93761	0.2
55.01876	0.4
55.05513	0.4
56.05037	0.7
57.03438	0.6
57.05816	0.4
58.06605	0.2
67.05509	0.9
69.03423	0.2
69.07061	0.8
69.58344	0.2
70.06591	3.0
70.34377	0.3
71.05006	0.3
71.99152	0.2
72.08156	100.0
73.08488	1.8
76.53869	0.2
79.05479	1.0
81.07068	1.4
82.06590	0.3
83.04961	0.4
83.34496	0.2
84.08153	1.0
85.06554	0.2
85.08966	0.2
86.09728	0.3
91.05491	0.7
93.07034	1.2
95.04961	0.8
95.08599	1.3
96.08131	0.5
97.06535	0.6
97.10206	0.2
98.09708	0.2
100.07612	0.4
102.09181	0.4
105.07049	0.6
107.04988	0.3
107.08586	0.6
110.07154	0.6
111.04476	0.2
117.07021	0.3
119.08580	0.4
121.10152	1.2
122.09685	0.2
124.11229	2.0
125.05974	0.2
133.10133	0.2
139.11201	0.6
143.08636	0.2
149.09612	0.4
150.01175	0.2
184.59547	0.2
196.13828	0.2
203.12819	0.8
275.56876	0.2
306.24207	0.2
313.56400	0.2
333.25256	0.6
362.26837	0.3
379.25946	1.3
379.30273	0.3
380.27679	0.7
389.49863	0.2
397.26968	43.4
398.28604	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	397.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.6
57.07075	4.3
61.76409	2.4
65.02124	2.7
67.05515	21.9
69.07070	100.0
69.41030	13.8
70.07400	3.1
71.04993	7.3
72.08170	5.6
77.36131	2.5
79.05492	9.7
81.07053	34.5
83.08644	4.3
85.06564	4.1
88.07626	6.1
91.05471	26.4
92.05837	8.1
93.07050	8.7
95.08609	30.6
97.06549	3.2
98.23281	3.3
99.08060	3.1
101.09659	67.2
105.07041	8.6
107.08604	5.7
109.06539	7.1
109.10154	4.8
111.04422	3.6
119.08582	12.0
121.06514	2.6
121.10171	6.4
123.08020	4.6
123.11675	2.7
131.08510	2.4
133.10165	5.8
135.11673	6.4
137.13257	4.0
147.11697	12.0
159.11783	4.8
165.12756	9.6
181.12206	6.8
183.11752	3.5
183.13808	11.2
190.25160	2.5
197.15350	5.5
204.67464	2.6
216.76102	2.6
303.51202	3.0
329.24524	3.1
347.25897	26.8
348.25967	2.6
379.28384	8.5
398.36218	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3102
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.69994	1.6
53.03953	2.4
55.05519	11.7
57.07080	4.3
65.03951	2.4
67.05509	21.6
69.07070	14.2
69.56864	8.1
70.06583	2.1
71.04989	3.8
71.08602	2.3
79.05502	16.1
81.06580	3.5
81.07059	66.8
82.07399	2.6
83.04964	4.3
83.08604	8.1
85.06544	19.9
89.03948	1.6
91.05479	13.7
93.06464	2.8
93.07043	38.5
94.07408	2.1
95.08611	53.5
96.08898	2.3
97.06525	2.0
97.10176	3.5
99.04440	6.4
101.06004	5.6
105.07037	33.8
107.08598	54.5
109.06499	5.7
109.10159	29.6
117.07006	5.6
119.08579	48.1
121.10154	38.2
123.08067	3.9
123.11735	11.8
127.07544	7.4
129.07069	4.2
131.08565	16.3
133.10132	29.2
135.11703	14.5
137.09567	2.0
137.13264	2.8
142.07750	2.8
143.08560	9.4
144.09288	2.4
145.10123	29.6
147.11678	23.0
149.09622	4.9
149.13248	19.1
151.11145	1.7
156.09314	3.8
157.10120	18.9
158.10854	3.1
159.11696	40.7
160.12076	2.6
161.13234	17.1
163.14859	13.2
167.10677	5.3
169.10123	2.6
171.11670	20.0
173.13272	22.2
175.11148	3.3
175.14810	11.5
177.16411	3.2
181.12241	4.2
183.11694	4.6
185.13210	8.8
187.11157	2.7
187.14819	15.0
189.16382	13.9
191.17960	5.2
193.12212	2.6
195.13782	3.4
197.13258	4.3
199.14819	13.0
201.16383	12.6
203.18013	8.5
210.63020	1.9
211.14758	3.2
213.16393	22.1
214.17036	2.8
215.14333	2.7
215.17972	12.6
217.19576	2.8
221.15338	2.5
227.17975	18.3
229.19505	3.9
235.16907	3.1
241.19550	6.1
249.18703	2.3
255.21129	6.6
257.22632	6.7
269.22690	9.0
271.24121	2.4
273.18466	2.1
275.20181	3.0
281.22757	2.4
283.24158	10.0
287.20139	3.3
297.25854	2.8
301.21378	4.8
327.22861	4.1
334.85919	2.1
341.24692	3.8
379.29868	3.4
397.13593	2.3
397.30994	100.0
398.31265	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	398.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33608	9.8
58.99879	11.2
60.90184	11.1
62.32008	10.5
64.33350	11.2
69.90918	49.4
80.00624	11.3
90.40711	10.9
96.74792	10.6
98.22674	11.4
136.06261	15.1
141.03955	25.7
157.03438	28.1
159.05063	26.5
167.01926	13.0
175.04573	16.0
177.06136	18.3
185.02983	42.2
203.03981	16.2
219.17075	11.7
228.94194	18.1
250.09442	12.4
257.08698	13.3
267.07190	17.7
282.84192	11.2
285.07901	13.5
293.04962	18.0
311.06177	27.1
358.45834	11.5
393.95334	12.5
398.04855	100.0
398.14267	33.5
399.12436	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	398.1493
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
50.04354	0.3
54.29065	0.2
54.53195	0.4
55.01858	1.0
55.05503	0.5
56.39280	0.2
57.03440	1.8
57.07061	0.5
57.70478	0.2
58.06583	0.5
63.39187	0.2
67.05509	1.5
69.03413	0.7
69.07055	0.4
70.06606	1.5
71.01326	0.8
71.04971	0.7
71.11207	0.3
71.11558	0.4
71.21247	0.2
72.08154	17.3
73.02905	0.7
79.05477	0.4
81.03403	0.3
81.07047	1.1
84.08138	0.6
85.02875	1.2
85.06512	0.3
86.09686	0.9
91.05477	0.7
93.07021	0.8
95.04970	10.8
95.08575	1.2
96.05305	0.4
97.02880	0.6
98.09686	0.4
98.23341	0.3
102.09194	1.5
105.07021	0.4
107.03542	0.4
107.08587	0.3
109.05149	0.4
110.07153	0.4
115.03912	0.3
121.10125	0.3
122.09633	0.5
123.08074	0.6
124.11220	0.5
134.04617	8.6
135.03017	0.5
136.06151	0.4
140.02722	0.6
143.11827	0.3
152.05679	2.3
158.07146	0.3
163.66937	0.3
165.02318	4.2
167.02652	1.2
175.09801	0.7
179.30582	0.2
181.05428	0.7
182.04956	100.0
183.05231	2.2
184.07291	0.4
194.04979	2.4
200.09343	0.9
201.10030	0.4
205.05508	2.0
215.03645	0.3
216.04640	1.1
219.07004	0.8
231.07007	6.1
232.07259	0.4
238.78799	0.2
240.12350	0.3
248.07082	0.6
248.09645	11.0
249.09981	0.5
254.15088	0.3
266.10690	72.1
267.10986	4.0
314.09213	0.5
336.25333	2.1
354.26422	2.0
362.26834	0.3
380.28015	3.9
398.14935	30.6
398.29120	15.4
399.15131	2.7
399.29391	1.2
424.34656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	20.0
69.00078	78.8
69.03427	86.6
69.07073	40.2
70.06593	78.5
72.08151	54.6
84.08137	17.1
85.02905	93.7
86.09718	95.8
87.04462	54.6
91.03954	11.7
97.02893	70.4
105.72504	11.0
110.07180	23.9
111.08112	10.2
112.11301	8.5
115.03940	81.3
116.07116	32.5
116.99255	8.4
120.08089	21.0
127.03904	24.2
129.10182	11.0
133.04968	100.0
136.06198	10.5
143.11795	8.8
145.04976	36.4
150.07599	17.4
163.06046	34.0
163.07425	9.5
173.09216	19.5
194.87411	9.9
250.09572	13.4
264.60635	9.1
293.31271	10.5
398.25195	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	19.9
58.06611	39.9
59.15139	18.6
69.03438	86.3
69.07071	37.1
70.06593	70.9
71.28230	23.4
71.58339	18.5
84.08163	31.4
85.02908	82.5
87.04473	51.0
97.02876	100.0
98.95314	18.1
110.07181	80.8
111.08081	34.9
115.03958	93.4
127.03953	23.2
128.10718	31.7
128.68721	22.7
133.04942	94.6
136.06227	58.5
250.09337	93.5
362.84073	21.4
398.25507	62.5
399.12192	27.8
419.11179	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05506	2.0
56.05045	1.2
57.03424	0.9
67.05499	2.8
69.07067	1.6
69.17583	2.1
69.18000	2.7
70.06593	2.6
71.04984	3.3
72.08159	94.0
73.08479	1.5
75.56589	0.7
79.05505	3.7
80.97703	0.8
81.07053	3.0
83.04972	1.5
84.08131	1.6
86.09697	3.0
90.57861	0.7
91.05499	4.9
93.07047	3.7
95.08619	4.2
97.02872	1.0
97.06516	1.4
100.11258	1.8
105.07048	3.6
107.08591	1.6
119.08594	1.8
120.08086	0.7
121.10158	1.0
124.11215	2.2
125.05972	0.9
129.06964	1.4
131.08582	2.7
133.10168	2.3
135.08028	1.1
136.06192	1.2
141.71088	0.8
145.10107	1.2
163.11188	0.8
171.11684	1.1
215.25587	0.7
218.33174	0.9
250.09410	1.4
250.54433	0.8
362.26895	3.1
380.27896	9.7
398.29001	100.0
399.29166	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01925	0.2
55.05505	0.7
56.05037	1.4
56.96567	12.3
56.96852	0.6
58.99868	0.4
61.01139	0.7
69.03422	0.7
70.06596	6.1
71.05000	0.4
71.28581	0.5
71.95270	2.6
72.08153	2.8
74.06058	0.3
77.00900	0.4
81.03420	0.7
82.72127	0.2
83.06097	0.9
84.04504	1.8
84.08147	3.8
84.96031	0.9
85.02896	0.6
86.09711	3.0
87.05601	0.3
88.47338	0.2
91.05470	0.3
93.04527	0.8
95.06086	0.3
96.08041	0.3
97.02895	5.8
98.97584	91.3
99.97929	1.1
100.02414	0.3
100.76602	0.3
101.00897	0.9
101.07157	0.3
102.05551	2.8
109.02891	0.8
110.07167	11.0
110.97580	1.1
111.07522	0.9
112.08742	0.6
114.00961	0.3
115.02441	0.3
115.08670	0.3
116.07073	0.4
116.98621	51.3
117.98968	0.5
119.01907	1.2
121.01604	0.3
127.08691	0.5
128.98587	1.2
129.10251	1.5
130.05045	0.5
130.92369	0.3
130.93274	1.3
130.94156	0.3
131.00117	0.4
131.01926	0.9
132.01988	0.5
133.03471	0.3
134.99654	17.6
136.06187	7.3
136.07555	0.8
139.02480	0.3
140.00197	1.2
141.03932	0.7
145.01764	0.3
145.03409	1.1
146.03592	0.4
146.99622	0.3
147.07620	0.3
148.94336	0.3
153.00716	2.1
154.93294	0.6
155.01982	0.4
156.07657	1.7
157.01617	0.4
157.03429	0.4
157.08060	0.4
158.01260	0.6
158.99670	0.8
159.05040	0.6
161.01251	0.7
161.02997	0.6
170.09271	0.6
172.94362	6.9
173.02988	0.7
173.09320	0.4
174.97664	0.8
175.09349	0.4
176.08253	1.0
177.00790	1.0
178.13504	0.3
185.02948	1.1
186.03206	0.4
187.09357	0.3
190.95384	6.3
195.01454	0.4
197.95255	0.3
201.00783	0.5
202.00963	0.3
203.04010	0.9
204.04160	0.4
208.96468	1.9
214.95403	3.4
216.98837	0.4
218.94901	0.4
219.01836	2.4
220.02103	1.1
221.04962	0.4
221.10280	0.7
223.10773	0.7
223.15479	0.6
227.04039	0.5
227.98628	0.6
230.98482	0.5
231.12396	0.5
232.96461	10.8
234.99832	0.4
237.02715	2.3
238.03165	0.7
241.94151	0.3
242.05615	0.4
245.99619	0.7
246.13049	0.6
247.01309	0.4
248.01575	0.5
249.09854	1.1
250.09398	4.9
250.97527	4.8
251.15015	0.5
252.04297	0.4
255.01688	0.5
256.96426	13.4
257.96771	0.5
258.99762	3.3
259.99832	0.4
261.03012	0.9
265.02148	0.5
266.02716	0.4
267.10873	0.9
268.11295	0.4
269.15958	0.4
273.02951	0.8
274.97501	100.0
275.97858	2.6
276.97635	0.9
277.00839	3.5
278.01099	0.4
279.03815	0.4
283.00061	0.8
286.12488	0.5
288.99377	0.4
292.98557	59.3
293.98807	1.5
294.98898	0.5
297.02780	0.4
297.99124	2.2
298.09729	0.8
299.97711	0.3
301.00980	0.7
304.00516	0.3
304.97192	0.5
311.06082	1.6
312.06363	2.0
313.06342	0.4
313.17117	0.7
313.98700	0.5
314.95526	1.0
316.00214	1.2
316.98727	1.0
318.98724	0.4
324.17715	0.3
329.07297	0.8
330.07474	1.5
332.96298	0.5
339.05640	0.7
339.15121	0.5
339.18750	1.0
345.06815	0.4
355.12906	0.5
356.96729	1.0
357.06714	1.3
357.19919	0.3
371.01718	0.3
374.97794	0.8
375.07416	0.5
380.19305	0.6
381.19141	0.4
392.98840	0.6
398.19962	0.3
398.98096	0.6
399.07651	3.7
399.12561	1.0
399.20102	0.7
399.27441	0.4
400.07730	0.5
416.98767	2.2
417.08337	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	399.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
53.73384	1.9
55.05515	8.0
56.05036	5.0
56.96566	8.5
58.99867	47.2
59.99950	2.2
61.01152	4.1
69.03425	5.5
70.06596	18.4
70.66038	2.9
72.08149	3.6
77.00912	31.5
81.03426	13.9
83.04990	12.0
83.06108	3.6
84.04511	4.4
84.08144	7.2
85.02904	2.8
85.43399	1.9
86.09705	3.7
86.99358	2.0
95.01934	3.3
95.06110	1.9
95.22752	1.8
97.02892	23.4
98.97593	12.1
102.05563	8.2
103.02457	5.1
107.85153	1.7
109.02922	2.2
110.07172	36.2
111.07510	5.1
112.08723	2.2
113.00880	1.8
115.02423	7.3
116.07079	2.2
116.98646	6.0
123.02966	8.5
123.92224	2.0
128.98598	1.7
129.03999	8.0
129.10281	2.7
130.93330	3.4
131.01935	6.3
133.03522	5.2
136.06206	21.9
139.02406	7.4
140.59651	1.8
141.03964	67.6
142.04140	3.0
145.03404	2.9
147.05051	5.1
156.07668	2.6
157.03471	85.7
158.03636	5.5
159.05046	89.9
159.09244	2.2
160.05188	4.5
167.01884	21.0
175.04532	79.5
176.04738	4.5
177.06096	61.2
178.06291	4.2
185.02968	100.0
186.03145	7.2
197.10417	2.5
201.00687	2.0
203.04010	86.0
204.04178	5.6
205.07124	2.3
212.97505	2.6
214.66028	1.9
219.01680	4.7
219.05107	2.1
221.04805	3.5
221.06656	14.0
223.08167	14.5
229.01953	7.8
231.05164	4.6
237.02798	5.2
237.06128	7.3
239.07645	26.1
241.09235	10.7
249.06056	23.5
250.09334	21.1
255.01720	3.1
255.07224	10.7
257.08667	20.2
258.08835	3.1
265.05624	9.8
267.04218	1.8
267.07135	57.2
267.10165	3.0
268.07520	4.1
274.97580	11.1
275.04025	8.0
278.24530	2.3
283.06909	5.1
285.08203	40.6
286.08386	3.7
292.98465	4.6
293.05051	56.4
294.05228	4.6
311.06122	91.2
312.06296	10.6
329.07181	13.7
330.96539	4.2
337.04013	13.0
355.05078	11.5
355.12842	2.1
356.05334	2.8
381.03064	13.1
398.20309	2.3
398.95242	3.9
399.04126	10.1
403.40314	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	399.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.9
58.06599	1.5
62.63440	1.4
65.96230	1.6
67.05503	1.7
69.10249	5.7
69.10668	6.9
70.06585	5.2
72.08160	18.6
73.08462	1.6
81.07064	2.2
81.39278	1.6
82.69059	1.4
84.08142	1.6
86.09698	10.6
96.08158	1.9
97.02878	7.2
98.09692	3.8
100.11282	2.5
102.05533	3.0
105.07006	1.9
111.04434	2.7
116.07079	2.9
136.06209	10.3
147.06543	1.6
202.05983	8.4
210.14949	3.0
250.09438	10.7
261.93680	2.0
380.27655	2.0
381.27994	2.5
382.29443	4.8
398.28662	3.4
399.14063	100.0
399.29178	14.0
400.14642	7.6
400.30463	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	399.1439
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
69.92486	3.8
69.92843	1.5
70.06576	1.8
74.05781	1.2
77.95288	1.2
84.66457	1.1
88.07620	2.5
97.02912	1.7
135.53319	1.2
165.07065	3.6
168.05708	1.5
169.06441	2.2
178.07813	1.4
179.08553	4.1
181.06570	5.0
182.07268	2.5
183.08112	2.3
184.05173	1.9
194.07237	2.5
195.08040	1.9
196.05159	1.7
196.08881	4.0
197.05989	3.4
198.06784	2.6
198.90419	1.2
199.07504	3.5
205.06520	1.7
206.07399	1.7
207.08096	6.0
208.08850	2.3
209.06023	3.1
209.09645	3.9
210.06789	6.9
211.07642	8.3
211.11095	1.3
212.04703	1.7
213.05511	2.5
213.09151	1.8
219.07973	2.5
221.05949	2.9
221.09674	2.1
222.06757	2.7
223.07552	4.6
224.08282	10.1
224.37918	1.2
225.05482	3.7
225.09094	4.0
226.06233	4.4
227.03419	1.5
227.07008	7.4
234.06796	2.7
235.07526	13.1
236.08278	4.6
237.05502	5.4
237.09058	6.0
238.06201	3.6
238.09789	1.9
239.07014	8.2
239.10684	9.0
240.07779	4.5
241.05013	5.0
241.08624	8.7
242.05710	3.2
247.07558	1.6
249.05301	1.7
249.09186	2.9
250.06296	3.9
250.09613	3.0
251.07121	6.6
252.07822	10.3
253.04953	6.7
253.08458	6.8
254.05820	4.9
254.09386	5.8
255.06540	12.8
255.08980	1.6
255.10197	1.8
256.07245	3.6
257.08057	4.2
261.09204	1.8
263.07013	7.7
264.07739	3.5
265.05240	2.9
265.08612	14.2
265.11554	2.0
266.05423	1.4
266.09283	5.8
267.06586	9.4
267.10178	27.6
268.07291	13.9
268.10208	2.9
269.04419	4.0
269.08090	10.8
269.11819	4.1
270.05255	3.4
270.08807	1.8
270.12320	1.4
271.06030	3.2
271.09390	1.3
277.08652	4.4
278.09418	3.4
279.06519	5.9
279.10065	2.8
280.07367	4.6
281.04446	5.3
281.08078	4.6
281.11661	1.4
282.05585	2.0
282.08890	11.8
283.06006	8.3
283.09625	4.4
284.06766	13.5
285.07611	10.2
286.08084	1.6
291.10049	2.4
293.08099	9.7
293.11377	2.4
294.08893	7.2
295.06119	4.9
295.09656	28.8
295.13080	2.6
296.06772	6.7
296.10172	3.9
297.04099	2.9
297.07590	16.4
297.11240	22.0
298.04837	3.2
298.08328	6.0
298.11478	1.7
299.05515	11.6
299.09177	23.6
300.09409	2.0
306.08981	1.9
307.05847	1.3
307.09494	2.3
308.10382	2.4
309.07599	5.0
309.11188	2.4
310.08353	8.3
311.05487	11.5
311.09094	5.0
312.06137	4.2
312.09595	2.5
313.07028	13.1
314.07648	2.4
315.08652	2.3
318.08633	1.4
319.09708	1.7
321.07739	3.4
321.11237	2.2
323.12900	2.3
324.10028	7.3
325.07193	3.6
325.10696	56.2
326.07855	39.9
326.11282	5.7
327.04865	4.9
327.08591	30.3
327.12302	6.5
328.09021	3.5
329.10159	2.2
335.09332	2.5
336.10010	4.2
337.10699	4.2
339.12265	2.8
340.09262	6.0
341.10226	3.0
342.07431	14.9
350.11612	1.9
351.12299	17.9
352.12729	2.8
355.11765	100.0
356.12128	9.8
357.09644	45.2
358.10025	4.6
366.10901	2.0
369.13300	23.6
381.13193	10.3
398.36136	3.1
399.14395	75.2
400.14667	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	399.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
56.05009	1.2
57.07089	0.6
58.06592	0.7
66.91022	0.5
67.05497	1.3
69.03428	1.0
69.07050	0.6
69.28319	1.7
69.28740	1.6
70.06604	3.2
70.07818	0.5
71.08613	1.2
72.04453	0.6
72.08158	15.3
73.08466	1.2
74.02428	0.6
74.06026	0.5
75.62951	0.7
79.05475	1.6
81.03384	0.7
81.07063	3.2
83.04982	0.9
84.08127	2.4
85.02901	0.8
86.09682	2.4
87.50184	0.5
91.05472	1.9
93.07037	1.9
95.04993	2.7
95.08587	2.0
97.02901	3.8
98.09711	0.7
98.22588	1.0
99.08094	0.8
101.06006	0.8
102.05528	1.9
105.06989	1.7
107.08587	1.1
109.10142	1.1
110.07135	1.0
111.08092	0.7
118.72982	0.5
119.08582	1.4
121.06532	0.8
123.07989	0.8
131.08551	0.6
133.10129	0.7
136.06203	3.4
145.10089	0.6
159.11662	0.6
161.09720	0.5
185.04208	18.0
196.27730	0.7
215.08765	0.5
237.14619	100.0
238.14963	4.7
250.07051	0.6
250.09279	3.1
366.82666	0.8
382.29691	3.7
399.15857	2.8
399.19916	71.1
399.29031	6.0
400.15912	0.6
400.20392	5.4
400.30566	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	399.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95741	1.0
52.97033	1.0
53.03953	1.1
55.05505	1.9
56.05030	1.7
58.06599	0.8
60.45865	0.9
61.02922	2.5
67.05534	1.1
69.03429	9.6
69.07082	2.0
69.81495	2.8
70.06579	5.3
71.05001	1.0
71.08630	1.5
72.08161	3.9
73.02921	1.4
79.05521	1.6
81.03441	3.8
81.07069	1.2
83.05005	1.1
84.04520	2.0
84.08141	1.0
85.02905	21.2
86.09713	22.8
87.04484	2.5
91.03966	1.1
91.05499	3.6
93.07053	2.6
95.08650	1.6
97.02898	9.7
99.04458	2.4
102.05531	2.1
105.07031	7.6
107.08620	2.5
109.02885	2.4
111.04444	1.0
112.04001	3.7
114.09173	1.1
115.05488	1.0
116.07062	1.1
117.06997	7.1
117.77156	0.9
119.08580	8.8
121.10143	1.2
124.24388	0.8
127.03944	4.2
129.05518	1.0
129.06992	4.7
130.07811	1.8
131.04944	1.0
131.08578	10.4
133.10129	19.1
134.10519	1.5
135.08141	1.0
135.11671	1.1
136.06165	6.2
139.05011	7.5
143.11845	1.9
144.09346	14.2
145.04991	2.3
145.06493	2.9
145.10068	1.8
147.08185	1.2
149.06033	2.0
149.09654	1.1
153.90047	1.0
157.10095	2.2
159.08089	2.2
159.11694	100.0
160.12068	4.7
161.13326	3.2
163.07571	3.4
169.06120	2.5
172.08878	1.2
177.09143	5.9
177.12749	7.9
187.11203	16.9
188.11502	1.1
191.14365	2.5
193.12274	1.4
205.12251	1.5
219.13814	22.8
220.14122	1.8
237.14984	1.4
250.09360	6.6
251.48073	0.9
254.15092	2.4
272.16113	2.9
300.15564	3.0
371.37320	1.1
398.82385	1.4
399.16086	2.4
399.20755	2.3
399.25339	1.7
399.29886	1.7
400.26474	1.3
400.31003	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	399.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05511	3.9
56.05023	2.6
57.03440	4.8
58.06598	7.5
67.05505	5.0
69.03423	0.8
69.07063	5.1
70.06323	0.5
70.06596	5.8
71.04978	1.9
71.08631	1.3
72.08154	53.2
73.08492	3.6
79.05489	9.0
81.07053	19.8
82.06550	0.9
82.07381	0.8
83.04964	1.9
83.08611	0.7
84.08141	6.4
85.06551	0.9
85.08914	2.0
86.09694	4.6
86.46516	0.6
91.05476	2.7
93.07038	7.4
94.81803	0.6
95.04958	3.0
95.08590	5.7
96.08135	0.9
96.08891	0.8
97.02876	3.8
97.06515	3.0
97.10164	1.5
98.09708	3.1
99.04417	0.7
99.08060	0.9
101.06031	0.9
102.05556	1.8
105.07030	3.9
107.08554	3.6
108.08116	1.0
109.10132	2.1
110.07194	1.5
110.09676	0.8
111.04416	1.8
111.08065	0.9
112.11230	0.8
119.08546	2.0
121.10137	8.1
123.08047	1.3
124.11217	2.7
125.05937	0.7
125.09591	0.8
129.07013	0.8
131.08585	1.8
132.99983	0.7
133.10138	1.5
136.06189	4.1
139.11179	4.3
147.11639	0.8
149.09648	1.6
153.31544	0.7
159.08122	1.0
192.41518	0.6
196.16928	0.8
203.12758	6.3
216.14491	0.6
223.60152	0.7
229.00043	0.7
237.11050	5.3
250.09387	4.4
258.13370	1.2
282.24255	0.8
308.25876	4.9
309.25876	0.7
310.27399	1.1
319.27475	3.6
335.26895	7.0
336.27145	0.8
337.28497	2.6
363.26926	0.9
364.28488	1.0
381.27527	23.9
382.29575	5.1
399.16125	3.4
399.28583	100.0
400.22192	1.4
400.30426	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.05505	5.4
57.03433	19.8
58.06600	5.8
61.02913	5.3
69.03433	51.2
69.07053	3.3
70.06597	31.7
70.45492	8.5
72.08152	40.0
73.02917	4.9
81.03419	9.4
84.04510	3.8
84.08148	5.0
85.02900	72.8
86.09700	53.8
87.04471	30.8
97.02888	46.1
99.04469	4.9
106.06550	3.8
109.02825	4.9
110.07154	5.0
112.08730	3.9
114.09175	3.2
115.03934	45.6
116.07109	9.2
120.08107	6.9
121.08885	11.1
122.09665	14.3
124.07606	4.3
127.03907	15.0
131.07256	4.0
132.08070	5.5
133.04967	56.1
136.07573	4.5
143.11801	5.1
145.04942	22.8
146.09665	6.2
149.08379	13.1
150.07594	6.7
150.09146	22.2
163.06090	6.6
164.10759	23.9
167.07047	4.5
171.11292	6.6
178.08652	15.2
185.16537	4.0
186.34366	3.3
189.12372	4.8
192.07970	2.7
192.08519	3.9
192.10178	31.5
210.11197	18.3
213.15912	5.2
220.09634	17.0
231.16985	10.1
238.10747	100.0
239.11098	4.6
243.17268	3.9
382.29745	6.5
400.26801	11.7
400.31192	7.1
401.28329	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87746	5.0
52.97660	5.0
55.05516	34.0
56.05849	7.3
57.03427	26.9
58.06590	10.1
59.05010	7.9
61.02888	6.2
67.05493	8.0
69.03429	86.4
70.06593	31.5
71.06195	9.6
72.08159	27.4
81.07049	9.3
82.06586	7.5
83.04973	7.7
83.08611	17.8
84.08142	18.6
84.08955	9.9
85.02909	96.5
86.09708	17.5
87.04472	53.2
91.03980	5.2
93.07031	6.5
95.08607	7.8
97.02905	72.8
99.04420	7.8
100.07602	26.5
100.11254	57.7
101.07949	9.2
101.11597	21.6
107.10665	5.2
111.04475	32.5
112.04805	17.3
112.07598	6.0
115.03929	91.4
124.63186	5.1
127.03883	15.6
128.07106	29.1
128.10654	6.4
129.07434	9.9
133.04968	100.0
140.07091	14.4
145.04947	40.1
150.07585	8.3
163.06036	17.9
163.07318	6.1
170.65492	5.0
182.15414	60.8
183.15791	64.8
210.14891	60.7
210.16679	9.3
211.15224	98.5
227.17546	10.0
228.17894	11.7
236.20078	11.1
239.54791	4.8
250.21622	12.6
254.21080	17.5
256.17343	18.1
268.22693	15.7
273.20041	13.1
337.21164	6.0
338.21515	47.7
355.24115	35.1
382.25616	14.8
383.23566	38.2
400.26135	46.6
400.31454	33.6
401.26431	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41402	1.1
55.05522	1.5
55.79177	1.1
56.05039	1.6
57.03446	1.4
58.06601	1.8
67.05478	2.3
69.73606	1.7
69.74022	3.8
70.06599	4.9
71.04999	4.4
71.87469	0.9
72.08162	100.0
73.08495	1.7
79.05495	4.3
81.07048	2.2
84.08171	1.1
86.09715	3.7
91.05507	1.4
93.07045	2.8
95.08624	3.0
98.09734	1.8
98.22663	1.8
105.07052	1.6
107.08662	1.1
123.08058	2.6
124.11263	3.7
129.10228	1.2
131.08540	1.5
136.06221	1.4
167.07063	1.5
178.14325	1.1
191.15579	1.3
268.60333	1.1
364.28506	3.7
382.29568	21.2
383.29883	1.7
400.30618	63.7
401.31058	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	400.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
56.05042	1.5
57.03423	1.1
57.05812	0.7
58.06586	0.9
62.29861	0.7
67.05498	2.2
69.07056	1.2
69.29580	0.8
70.06589	3.4
70.70500	1.9
71.04989	3.9
71.07352	1.0
72.08157	100.0
73.08488	1.3
79.05492	1.6
81.03413	0.8
81.07044	2.9
83.04983	1.1
84.08149	1.3
86.09701	2.2
89.29336	1.0
91.05482	2.7
93.07063	1.4
95.04943	0.8
95.08607	2.7
97.06506	0.9
98.09708	1.0
100.11235	0.8
102.09181	1.1
105.07052	1.6
110.07182	2.9
123.08080	3.4
124.11199	3.9
124.76298	0.7
156.07747	1.7
210.15016	1.1
251.65277	0.9
364.28452	2.2
372.26917	0.8
382.29510	19.2
383.29776	2.3
400.30579	60.4
401.30969	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	401.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50171	1.4
53.15804	1.4
56.96564	7.8
60.49131	1.5
69.26486	4.4
69.26889	4.9
71.95275	2.8
85.00941	1.5
88.11292	1.5
98.22598	3.0
98.97581	100.0
99.97876	1.7
112.46487	1.6
112.92216	1.3
116.98617	50.1
117.98947	1.7
118.98260	2.4
134.99666	18.0
165.08133	1.4
172.94345	2.6
178.47993	1.3
190.95329	2.0
191.52966	1.4
219.01930	2.0
232.96494	2.6
234.99852	3.5
236.99741	1.8
240.98782	4.6
250.97495	1.6
256.96414	7.5
258.96988	1.9
258.99786	40.2
260.00003	4.6
260.99969	3.6
261.02811	3.2
263.02936	3.1
274.97513	45.3
275.97870	5.1
276.97659	8.2
277.00769	51.7
278.01025	6.1
279.00717	4.2
282.99902	7.3
284.99792	6.1
292.98550	31.4
293.98727	2.6
294.98422	5.0
299.98398	1.7
301.01038	8.4
302.01151	4.0
303.00925	9.8
318.98395	1.8
327.00046	1.5
339.06616	1.4
359.03638	4.9
359.99966	1.7
382.99677	3.6
401.01105	12.2
402.01288	1.9
418.98212	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	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
56.05033	2.8
56.96567	22.4
60.05652	2.9
63.42642	1.8
63.66016	1.6
64.00249	1.4
69.03420	4.0
69.27203	12.7
69.58202	1.8
70.06596	37.9
72.08170	10.3
74.28978	1.5
74.83304	1.6
84.04525	2.2
84.08152	20.1
85.02912	2.6
86.09711	25.7
87.05589	2.2
88.03995	6.3
89.80105	1.6
91.70377	1.4
97.02897	6.2
97.99188	2.7
98.23389	3.3
98.97591	33.0
102.05537	2.6
110.07150	2.7
110.97573	2.3
112.08699	7.8
114.36481	1.6
115.08701	2.6
116.07137	4.1
116.98627	12.2
119.01904	2.8
128.98410	1.8
129.02057	1.5
129.10262	12.3
130.93277	2.5
132.10226	3.5
132.96629	3.0
134.99651	4.6
136.06200	7.5
140.03755	1.6
140.08173	3.2
145.01738	1.7
146.99789	1.6
152.01660	3.5
152.05727	1.9
156.96602	5.6
157.03473	2.6
158.09219	2.5
160.06369	2.5
160.96082	4.4
169.01347	1.6
172.08194	1.9
172.94360	3.8
174.97667	28.9
175.11937	5.5
175.97787	2.2
176.99191	2.1
177.01021	2.4
184.96210	1.5
186.68384	1.7
188.06010	2.3
190.95418	5.1
192.98732	21.8
193.04323	6.1
197.10349	1.9
202.97084	2.6
206.07021	3.0
216.98744	3.2
219.01996	2.0
220.98242	3.9
225.57526	2.1
228.02177	2.0
232.96408	2.2
233.03471	2.1
238.06265	2.1
239.04224	2.7
240.10944	4.6
252.03976	2.7
254.05594	1.8
258.05063	4.0
261.05151	1.9
263.09076	2.1
269.61948	2.0
270.04987	17.2
270.11795	2.5
272.06546	8.5
274.97589	14.4
276.97879	2.3
277.00858	2.4
279.55600	2.2
285.59756	2.2
286.04865	2.2
288.06079	42.6
288.08798	2.5
289.06210	4.1
291.59784	2.3
292.98502	8.5
299.00931	2.4
306.03790	2.2
306.07111	48.8
307.07260	5.1
307.76801	1.8
316.03531	2.3
321.13071	1.9
324.08282	3.3
324.13892	2.1
332.03574	2.8
332.07816	2.2
341.08698	2.4
360.02832	3.2
378.03973	4.5
383.13297	10.1
385.21854	2.8
401.14514	26.1
402.15131	5.6
402.24335	23.4
419.15665	100.0
420.15778	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	401.1958
Annotation	Lintetralin
Peak:m/z	Relative Intensity
55.01852	2.5
55.49174	2.0
67.05498	3.8
68.87109	1.9
69.07056	3.7
70.06583	5.7
71.41302	2.4
72.08150	3.0
79.05495	3.4
86.09679	2.6
91.05504	4.3
95.08624	3.9
105.07049	3.0
107.08604	2.5
109.10152	2.3
111.08072	2.5
119.08613	4.5
121.10149	2.4
131.08580	2.6
141.07077	2.8
159.08015	3.1
167.06998	3.7
175.07564	2.8
181.08534	2.5
196.05165	2.3
196.68962	2.6
197.06007	3.1
198.06738	3.3
199.07545	2.6
199.14856	2.2
201.09109	2.6
210.06781	2.8
211.07552	7.4
213.09262	3.5
214.06120	2.8
219.10179	4.8
222.06799	2.6
223.07527	2.3
225.05424	3.8
225.09227	3.7
226.06262	3.2
227.07021	6.3
228.07826	4.7
229.08548	3.9
233.11613	2.6
235.11325	3.7
237.05533	3.3
237.09132	2.9
238.06195	3.3
239.07072	6.6
240.07829	6.9
241.05037	2.8
241.08574	9.7
242.05740	2.9
242.09425	3.3
243.06596	12.3
249.09247	7.0
251.07106	3.7
251.10689	7.8
252.07726	3.2
252.11386	5.6
253.08582	6.2
254.06017	3.1
254.09265	6.4
255.06555	10.7
255.10172	5.5
256.07263	5.6
257.08109	13.6
258.08826	4.6
259.05865	3.2
262.09955	2.4
263.10767	6.5
264.11511	7.6
265.08676	8.2
265.12314	4.6
266.09341	2.9
267.06543	11.1
267.09845	5.1
268.07248	6.2
269.08151	10.5
270.08945	8.4
271.06088	4.5
271.09705	9.2
272.06805	5.6
273.07504	3.3
276.11316	3.3
277.08823	3.6
277.12122	4.0
278.13040	3.4
279.10168	16.1
279.13635	4.4
280.07919	2.8
280.10846	13.2
281.08130	16.9
281.11560	6.3
282.08868	17.3
283.06158	3.4
283.09842	2.4
284.10196	4.5
285.07617	8.6
285.11151	7.3
286.08435	8.1
287.05609	6.3
287.08963	5.5
290.09506	2.8
291.10156	12.3
292.10922	8.2
293.08124	5.2
293.11716	8.3
294.12491	8.1
295.09723	9.9
295.13303	27.1
296.10461	14.2
296.13589	3.7
297.07745	4.6
297.10620	5.7
298.08374	14.7
299.09174	15.5
299.12189	3.5
300.09702	4.5
301.07239	5.6
301.10733	14.1
302.07825	9.3
303.08655	6.9
305.11792	2.6
306.12439	13.1
307.09625	8.2
307.13306	9.6
308.10370	9.8
308.13785	3.7
309.11157	13.5
309.14856	17.1
310.12189	3.0
310.15671	5.4
311.09259	3.4
311.12711	8.0
312.09961	11.9
313.10657	30.5
314.11450	14.7
315.08737	4.1
315.12115	4.3
316.09323	6.1
317.10236	25.9
318.10953	34.4
321.11331	4.5
322.11996	10.3
323.12741	58.1
324.10028	3.0
324.13483	12.5
325.10834	5.4
326.15192	3.5
327.12335	22.9
327.15915	6.0
328.12949	15.0
329.10074	6.8
330.10864	4.3
331.11783	13.1
332.12531	35.1
333.13184	12.4
337.14331	58.6
338.15057	32.4
339.12448	17.4
339.15314	15.5
340.12799	6.6
341.13745	4.6
341.17404	24.7
342.17664	4.3
344.12585	4.0
345.13309	26.6
346.13895	2.9
354.14749	11.3
355.15302	37.0
356.15674	3.7
357.13205	3.8
358.13803	3.2
359.14941	27.9
369.16983	71.2
369.27707	2.4
370.17694	97.5
371.14273	4.3
371.18228	9.7
386.17139	18.7
401.19583	100.0
401.27594	12.7
402.20026	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	401.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26219	0.6
53.41325	0.6
55.05503	0.6
56.05038	1.3
60.05654	10.3
66.58271	0.7
69.07071	1.4
69.84845	2.7
70.06593	67.8
71.06918	1.9
71.78745	0.7
72.08157	9.7
74.06065	0.9
83.06100	0.9
84.04507	2.6
84.08147	7.6
86.06078	5.0
86.09707	100.0
87.10046	2.3
88.03989	0.7
95.06107	0.6
97.07590	0.9
101.05907	0.7
102.05563	0.7
110.07156	3.3
112.08733	7.4
113.07105	1.6
114.05521	1.9
114.10327	0.9
115.08705	5.1
116.06331	0.8
116.07101	11.4
129.10216	4.3
130.08760	0.9
130.09772	3.7
136.03918	1.2
140.08191	1.1
141.10231	6.4
156.07697	1.5
156.11325	7.5
157.10858	1.7
157.13374	2.1
158.09245	10.9
169.09729	9.9
172.10855	1.0
175.11919	28.0
183.14937	0.8
185.12910	0.9
201.12103	0.7
213.08743	0.8
217.11682	0.9
227.13908	2.1
229.15552	1.0
233.14926	1.5
271.17664	10.7
282.18073	2.4
286.14337	0.7
383.23822	1.8
401.24887	74.6
402.24799	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.05032	2.0
57.03431	1.8
58.06356	0.6
58.06607	5.9
66.92171	0.5
67.05505	4.2
69.07069	1.9
70.06591	4.9
70.41313	0.7
70.59529	1.2
72.04529	1.1
72.08154	6.5
74.02434	1.2
79.05486	1.8
81.07057	5.0
83.08608	1.1
84.04517	0.7
84.08145	18.5
86.09702	6.5
88.04013	2.9
90.05534	1.1
91.05483	1.5
93.07034	3.3
94.38001	0.5
95.08607	4.5
96.08133	1.1
98.09679	1.7
105.07003	0.6
107.08585	2.0
109.10155	2.3
110.09653	1.3
112.11268	1.9
113.07227	0.6
116.03428	1.1
119.08617	1.2
120.08107	0.8
121.10148	1.7
134.04497	2.3
145.10109	0.6
171.11401	0.6
182.15401	0.7
184.85553	0.6
199.18013	1.0
227.17693	0.7
236.54283	0.5
249.23238	3.1
250.21642	17.5
251.22012	1.0
252.23250	1.1
267.24313	6.4
268.22693	25.3
269.22943	1.6
285.25305	1.9
286.23740	12.7
287.24194	1.6
293.25888	1.2
311.27017	0.8
321.25366	0.7
339.26447	4.2
383.25455	12.3
384.26923	1.4
401.26456	100.0
402.17444	0.8
402.27002	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13165	0.4
55.05512	1.3
56.05032	2.1
57.03434	1.0
58.06600	4.1
67.05507	3.1
69.00726	1.5
69.01149	1.0
69.03428	0.5
69.07069	1.6
70.06586	3.8
71.05008	0.4
71.07348	0.4
72.08158	3.9
76.06149	0.3
79.05504	2.5
81.07054	4.9
82.14716	0.3
83.04958	0.3
83.08622	0.8
84.04507	6.1
84.08144	14.9
85.06561	0.3
86.06042	1.5
86.09705	1.9
87.04468	0.9
91.05479	1.5
93.07043	1.5
95.08612	3.2
96.08136	1.0
97.06549	0.5
98.06092	0.5
98.09706	1.2
102.05549	2.6
105.07034	1.5
107.08608	0.9
109.06491	0.5
109.10162	0.7
110.01777	0.3
110.09676	1.1
112.11201	1.6
116.07095	0.4
119.08579	0.7
121.10167	0.7
124.11246	0.6
128.10733	1.4
130.05002	3.2
131.08580	0.5
133.10123	0.7
134.39410	0.3
147.11639	0.4
148.06064	1.9
160.31128	0.3
169.06302	0.3
187.14799	0.4
208.20624	0.6
235.21719	1.3
236.20079	14.7
237.20450	1.2
253.22722	2.5
254.21144	30.4
255.21490	2.3
271.23923	0.4
272.22198	11.6
273.22488	0.8
277.47366	0.3
288.20288	0.4
321.25299	0.4
337.25015	0.8
339.26456	2.5
365.24512	0.8
383.25397	16.6
384.25909	1.9
401.26447	100.0
402.26819	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05513	1.5
56.05024	1.9
57.03434	1.3
58.06604	5.1
67.05503	4.0
69.07059	2.1
70.06596	5.5
71.28527	0.6
72.08162	6.1
74.02436	1.5
78.51530	0.6
79.05486	2.1
79.89846	0.6
81.07042	4.6
83.08595	1.6
84.08147	14.5
86.09706	5.1
88.04004	2.2
88.07607	0.8
90.05561	0.9
91.05455	1.3
93.07039	2.1
95.08611	5.4
96.08089	1.4
97.10139	0.8
98.09685	0.8
105.07038	0.9
105.65549	0.6
107.08591	1.5
109.10122	1.5
110.09704	1.0
112.11250	1.1
116.03436	0.9
119.08559	1.0
121.10152	0.6
129.10275	0.6
134.04518	1.3
182.15312	0.7
185.16466	0.6
189.12346	0.7
189.78484	0.6
227.17459	0.9
236.20164	1.0
249.23270	2.8
250.19214	1.3
250.21671	18.1
251.22040	1.3
252.23212	0.7
254.21150	1.6
267.24319	6.5
268.22705	24.6
269.23102	2.2
270.24216	0.8
272.21887	0.7
277.26520	0.9
285.25226	2.1
286.23700	12.7
287.24063	0.6
293.25922	0.9
339.26480	4.6
365.24908	0.8
366.26300	0.9
383.25421	13.2
384.26804	1.4
401.26443	100.0
402.26843	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	401.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.0
55.25883	0.4
56.05015	0.8
57.05822	0.6
60.05626	0.9
69.07065	4.0
69.48007	1.6
70.06591	10.7
71.05015	0.7
72.08154	43.0
73.08495	0.9
78.55268	0.4
84.04530	0.4
84.08140	1.4
86.09702	100.0
87.10019	2.0
88.43758	0.5
91.05437	0.5
91.69313	0.4
107.84235	0.4
110.07151	1.1
112.08726	2.3
113.66886	0.4
115.08685	0.5
116.07082	0.8
120.08100	0.7
121.02880	0.9
129.10257	0.9
134.91888	0.4
143.11778	0.5
144.70932	0.4
157.10852	0.5
173.56203	0.4
175.10660	2.9
175.11967	1.3
183.14894	0.7
185.16489	22.6
186.16806	1.2
189.12332	13.6
199.18015	6.0
213.15979	14.2
214.16278	0.6
225.17104	1.1
227.17548	5.3
231.17116	0.7
253.16385	0.4
255.06560	0.5
267.64035	0.4
271.17517	0.4
288.20172	1.5
302.20697	0.4
326.24265	0.6
373.11072	0.8
384.26492	0.5
401.10318	3.5
401.17978	2.6
401.28812	8.4
402.10593	0.6
402.21164	1.6
402.28699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05514	9.4
56.05042	1.3
57.05811	1.4
58.06601	4.0
60.04528	0.9
60.05643	2.4
67.05499	1.8
69.03413	0.8
69.07065	2.1
70.06594	30.4
70.34016	1.9
71.04998	1.5
72.08156	100.0
73.08482	1.2
78.04728	0.9
79.05500	3.8
81.03432	1.4
81.07066	4.1
81.29106	0.6
83.05005	1.1
84.04491	3.9
84.08146	4.8
85.02892	1.5
86.09706	85.4
87.10041	2.5
91.05488	2.6
93.07052	1.3
95.05021	1.4
95.08604	2.6
96.08160	0.8
97.06535	0.9
98.06060	1.2
98.09673	1.4
99.04460	0.7
102.05549	3.3
104.05327	2.5
105.06995	1.4
107.04969	4.8
110.07168	2.5
110.09651	0.7
112.08718	4.5
114.09175	1.8
115.08707	2.2
115.09452	0.8
116.07080	3.3
118.08704	1.1
119.08598	0.7
120.08138	1.0
127.03911	1.4
127.08694	1.5
128.10764	1.6
129.07033	1.7
129.10251	1.9
130.06532	1.0
130.09705	1.0
131.08569	2.0
132.10107	0.7
133.10107	0.9
137.06033	0.7
143.11766	4.6
145.06476	1.5
146.06375	1.6
152.04773	0.7
156.05698	2.1
156.11337	0.8
157.06351	1.0
157.13365	23.1
159.08067	1.7
159.09247	1.0
167.07033	14.7
171.11313	4.4
171.14949	2.1
174.05911	2.7
175.10811	2.2
175.11955	2.7
183.14972	1.4
185.12842	25.8
185.16441	4.3
186.13008	1.3
187.07457	1.0
189.12355	2.7
199.14433	1.0
199.18059	3.6
202.06264	1.0
203.13989	1.4
205.08630	2.7
207.06544	1.9
208.05276	1.5
213.15982	4.3
217.08614	7.7
217.15475	17.3
219.08031	1.5
221.05963	0.8
223.10934	0.8
225.17139	2.0
227.17529	3.9
229.08540	0.9
231.16972	5.1
236.08403	0.8
239.11043	1.0
239.17632	2.6
243.16980	3.4
247.07507	1.5
247.09749	3.7
248.08400	2.1
249.08896	0.9
253.16634	1.0
254.05647	0.9
258.16104	0.9
259.07755	0.9
263.10614	1.8
269.08197	2.5
270.18149	1.1
271.09775	2.2
275.06815	1.2
276.07779	1.3
277.08524	1.1
282.08984	0.8
284.19647	6.0
288.20352	2.4
291.10168	2.0
293.08191	1.9
299.09335	1.5
307.09708	1.7
310.08350	0.9
315.08719	5.2
319.09570	1.1
323.12863	2.1
330.10968	6.1
331.11731	2.7
337.10721	1.4
339.12415	1.6
341.10114	1.2
343.11877	2.0
351.12421	3.7
353.10251	1.1
365.28946	1.4
366.30408	1.1
368.12402	1.3
371.14883	0.8
383.15024	6.5
383.29956	3.2
384.15448	1.5
384.26794	1.5
384.31174	3.4
401.17148	3.3
401.28870	14.6
402.20224	1.9
402.24530	1.1
402.32599	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	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41650	2.7
53.03940	4.0
55.05505	10.2
56.59132	2.5
57.16902	2.8
67.05505	10.6
69.07059	10.4
70.06593	7.8
71.05000	5.9
71.31470	2.8
79.05489	13.7
81.07055	23.1
83.05022	3.3
83.08623	6.3
88.07603	5.4
91.05473	34.9
91.14439	2.7
93.07048	27.8
95.04953	7.6
95.08598	24.0
97.10188	3.5
105.07034	55.4
107.08585	23.0
109.06522	33.8
109.10142	10.4
111.08096	3.5
117.07026	19.2
119.08573	51.6
121.10127	12.5
128.06239	9.1
129.06992	12.2
130.07771	4.8
131.08574	34.2
133.10117	46.3
135.08070	7.6
135.11699	14.9
141.07019	6.6
142.07805	14.2
143.08542	19.2
144.09303	8.1
145.10114	53.6
147.08054	5.8
147.11714	7.6
149.09650	4.0
153.91145	3.2
155.08575	10.3
156.09335	11.3
157.10135	28.2
158.10893	8.7
159.11673	21.1
160.06958	3.2
165.06998	4.3
167.08565	3.5
168.09329	6.2
169.10143	14.4
170.10907	4.8
171.11696	20.8
173.09605	4.0
173.13269	25.2
175.14830	7.1
179.08603	7.4
180.09366	3.7
181.10127	10.3
182.10968	3.4
183.11697	13.6
185.13287	9.5
187.14825	20.5
193.10170	4.7
194.11012	5.5
195.11693	13.7
196.12433	3.9
197.13301	10.7
199.14816	12.6
205.73079	3.3
206.10939	5.4
207.11699	8.5
208.12515	5.8
209.13184	15.6
211.14861	4.5
213.12718	2.9
221.13287	7.7
223.14798	9.1
231.11589	4.1
233.13284	5.1
235.14722	5.7
237.16313	5.1
249.16202	3.9
263.18057	3.6
265.19440	4.2
277.19354	3.8
293.18359	3.0
311.87967	2.9
313.10745	3.5
313.19543	3.2
318.10974	4.2
323.12650	5.2
332.11868	4.1
340.35858	5.9
343.24167	4.0
357.11447	5.5
358.12360	3.4
359.14587	3.2
369.16925	7.8
370.17484	5.9
371.12921	8.3
372.13641	12.6
373.14383	10.5
383.33185	3.3
385.14508	12.5
386.15433	19.3
387.16232	6.5
399.16156	9.9
400.12418	5.3
400.16818	8.6
401.13776	86.8
401.17667	100.0
401.28317	24.7
401.38284	6.9
402.14490	30.3
402.18262	29.9
402.39343	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	401.2871
Annotation	Arg Leu Ile
Peak:m/z	Relative Intensity
53.03939	0.4
55.05510	0.7
56.05037	0.8
58.06590	0.7
60.05368	0.7
60.05649	9.5
60.35107	0.3
66.70369	0.3
68.05030	0.5
69.07065	3.0
70.06590	100.0
70.56510	0.7
70.56843	0.6
71.04990	6.9
71.06931	2.1
72.08155	5.2
74.06064	0.4
83.06108	0.4
84.04494	1.3
84.08144	2.9
85.07649	0.8
86.09702	34.0
87.10042	1.0
88.07648	3.3
88.67825	0.4
95.06080	0.9
97.07653	1.6
98.06046	3.2
101.07089	0.5
110.07149	2.6
112.08728	22.3
113.07119	0.6
114.09137	0.4
115.08693	4.9
116.07102	2.7
120.08126	1.0
125.07095	0.4
127.05044	0.5
128.10701	0.7
129.10240	2.6
130.09726	0.6
132.10193	0.5
136.07561	0.5
138.12778	2.2
140.08185	4.8
141.10303	0.5
144.06537	1.2
145.04977	0.4
156.11354	1.0
157.09724	0.3
157.10834	8.2
158.09296	0.9
161.09225	1.3
165.13904	0.6
166.12271	1.1
175.11896	7.5
182.16510	2.0
183.14937	6.9
184.15189	0.4
185.10338	0.4
202.10870	0.6
206.75107	0.7
208.14478	1.7
210.16029	1.5
211.14452	1.7
212.12799	0.4
215.13985	0.6
225.17110	16.0
225.19347	0.8
226.17349	0.6
228.17113	0.8
229.15488	2.4
236.13914	0.6
237.13426	0.4
240.13246	0.4
242.19763	3.5
245.18535	0.6
253.16595	2.0
270.19235	4.4
271.17569	5.6
272.18283	0.4
288.20288	17.0
289.20618	0.5
342.23575	0.6
360.09448	0.5
370.17569	0.5
384.26035	6.3
401.28687	81.4
402.24594	1.0
402.29016	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	401.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
56.05040	0.7
58.06599	0.6
60.04539	1.1
60.05650	9.2
69.07076	1.6
69.32442	2.1
70.06594	100.0
71.04994	6.0
71.06925	1.8
72.08154	17.3
72.08543	1.0
74.06079	1.2
84.04500	0.8
84.08154	1.9
85.07676	1.1
86.09707	39.9
87.05598	0.5
88.07643	2.9
97.07674	1.5
98.06048	3.1
101.54525	0.5
110.07153	1.0
112.08733	25.0
113.07153	0.8
114.09186	0.4
115.08691	4.2
116.07094	4.7
120.08108	0.6
124.11208	0.8
128.10722	0.8
129.10246	1.4
129.11124	0.6
130.09805	0.6
132.10194	0.9
138.12788	1.6
140.08200	4.9
141.10248	1.4
145.09801	0.5
146.11784	1.9
152.10742	0.4
156.11325	0.8
157.10872	6.1
158.09265	0.9
159.11346	2.1
168.15045	0.7
169.09756	0.9
169.13329	2.6
171.11334	1.6
173.09261	1.0
175.11948	4.1
180.14816	0.5
182.16498	1.1
183.14922	4.8
185.16505	4.1
187.10837	1.3
189.12395	2.4
196.14607	0.8
197.12947	0.8
199.10829	1.4
203.14001	0.6
206.74988	0.8
208.14496	1.1
210.16087	1.4
211.15659	7.3
213.16040	3.8
225.17114	9.3
229.15546	0.6
239.15076	0.7
242.19897	1.5
245.18681	1.4
253.16685	1.7
268.16434	0.5
270.19220	2.1
271.17612	4.1
288.20303	9.2
303.12192	0.5
384.26129	7.3
401.28717	82.6
402.24478	0.9
402.29022	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67736	0.5
54.10777	0.5
55.05511	0.6
56.05026	1.4
56.96568	3.7
57.05814	0.9
60.04535	0.7
60.05650	11.2
61.93833	0.4
68.05053	0.6
69.03425	0.5
69.07069	8.8
70.06596	44.3
71.06956	1.0
71.28694	1.1
72.07761	0.6
72.08158	12.1
74.06061	1.0
84.04514	3.4
84.08146	19.9
85.02891	0.6
85.08480	0.9
86.09708	100.0
87.05634	0.7
87.10044	2.1
88.03996	2.2
95.06077	0.9
97.02895	2.5
97.06496	0.6
97.07689	0.5
98.06059	0.8
98.97583	5.9
101.07085	0.5
101.10780	0.8
102.05551	1.3
109.02906	0.7
110.07182	2.1
110.97581	2.0
112.08744	6.5
113.07129	1.2
114.10301	1.0
115.08686	5.3
116.07102	12.6
116.98639	2.7
117.46165	0.5
120.08166	0.7
121.06484	0.8
127.08685	1.2
128.10796	0.6
128.11833	1.0
128.98631	1.6
129.10248	14.1
130.05035	1.4
130.08836	1.0
130.09779	4.1
133.09734	1.5
136.06190	1.5
136.07576	0.5
138.09180	0.6
140.08176	0.7
141.10229	0.8
146.36617	0.5
146.99646	0.5
147.07674	2.2
147.11308	0.7
155.00119	0.6
155.08180	0.8
156.11336	8.2
157.10884	1.4
157.13293	0.7
158.09283	8.6
159.03262	0.6
160.99292	0.5
161.04846	0.9
175.11916	34.3
177.00668	0.9
177.04253	0.6
179.00214	1.1
179.05870	0.8
183.11386	0.6
183.15053	0.6
186.12474	0.5
187.02705	0.8
187.10690	0.7
197.01300	1.9
197.10320	1.0
197.12898	0.8
199.18056	8.7
199.99962	0.6
200.13982	1.5
201.00688	0.8
201.12447	1.0
219.01715	3.7
227.07115	1.6
227.17564	2.9
228.17064	0.8
237.02870	5.5
239.02309	0.7
241.04970	0.8
245.08104	5.2
250.09378	1.0
255.04228	0.6
259.06094	1.1
263.09155	0.8
271.17706	4.2
274.97723	0.7
275.09186	1.7
288.20355	0.7
292.98776	0.8
293.10239	1.4
309.11365	0.5
323.04581	1.3
341.05542	0.9
359.06625	1.8
366.25122	1.3
383.19049	0.6
383.25861	0.5
384.26205	2.0
385.22101	1.3
401.28735	77.6
402.18826	1.1
402.24597	8.4
402.28915	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	401.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.05039	1.3
56.96578	0.4
57.05823	0.7
58.06599	0.7
58.83340	0.5
60.05651	12.6
69.06726	0.7
69.07070	6.8
70.06593	69.7
70.29787	1.2
71.05003	0.7
71.06928	1.3
72.08157	17.0
74.06088	0.6
82.06551	0.5
83.06155	0.5
83.98415	0.4
84.04488	2.8
84.08143	10.9
86.09705	100.0
87.10052	1.9
88.04015	1.3
89.29016	0.4
95.06100	1.0
97.02908	1.4
97.07668	0.9
98.06065	1.8
101.14441	0.5
102.05546	1.0
110.07159	2.3
112.08732	6.6
113.07123	1.0
114.10307	1.8
115.08698	6.2
116.07088	14.2
120.08101	1.1
129.09303	0.9
129.10228	8.4
130.04951	1.0
130.09746	6.1
133.09758	1.0
136.06197	1.3
136.07597	0.6
140.08167	0.6
141.10239	0.6
147.07680	1.5
156.07747	1.6
156.11325	7.4
157.10876	1.7
158.09256	10.4
169.13348	7.9
175.11903	38.7
176.12274	1.1
187.10712	1.0
196.14409	0.6
197.12863	6.7
199.18037	7.1
200.13953	1.4
205.11833	1.0
208.14471	0.7
215.13919	0.6
227.17572	1.8
232.57404	0.5
245.11571	0.5
246.14493	0.8
253.16521	1.0
258.71646	0.5
269.77606	0.4
271.17648	4.6
276.59213	0.5
288.20316	2.1
296.19717	0.9
302.17142	4.5
303.17520	0.8
312.38306	0.5
359.26804	0.6
366.25031	1.9
384.25888	2.4
401.24091	4.3
401.28680	91.8
402.24561	4.8
402.28876	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99134	1.0
53.03935	3.6
55.01876	1.7
55.05272	1.6
55.05511	17.6
57.03444	5.4
57.07077	100.0
58.07404	1.1
67.05508	33.6
69.03432	18.9
69.07072	21.3
70.06593	4.2
71.04990	4.8
71.08634	79.7
71.30644	1.1
73.02896	1.3
79.05500	3.4
81.03419	18.1
81.07059	51.8
83.08620	35.8
84.08937	1.4
85.02903	28.2
85.06513	1.2
85.10183	41.1
87.04478	1.4
88.07639	3.7
88.58654	1.2
91.05486	1.9
93.07028	1.7
95.08607	72.0
96.08952	2.7
97.02894	17.1
97.10175	19.1
98.22433	1.1
99.04453	10.9
99.11736	3.6
101.02370	1.4
102.09177	3.0
105.07058	1.7
107.08604	2.2
109.02878	9.9
109.10159	37.1
111.11723	5.5
113.13316	1.2
119.08631	1.1
121.10131	1.8
123.08030	1.3
123.11710	18.5
125.13256	3.6
127.03905	20.2
136.12199	1.0
137.13231	7.6
139.14781	2.4
145.04955	7.6
151.14830	3.4
159.69728	1.2
165.16397	3.1
173.35802	1.2
177.12845	2.5
182.16512	1.2
221.22647	4.7
239.23709	35.7
240.24072	2.6
257.24728	2.5
266.43103	1.4
339.34476	1.3
340.35641	1.7
341.26941	2.0
370.17752	1.5
383.28214	6.5
401.18494	1.4
401.28903	2.5
401.38373	10.0
402.39160	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	401.3416
Annotation	Acanthovagasteroid A
Peak:m/z	Relative Intensity
55.05511	10.2
56.78281	1.7
57.07071	6.8
61.44123	2.4
66.10447	2.5
66.35998	1.8
67.05511	12.6
69.07074	13.9
69.58990	1.8
70.96258	4.2
71.08617	8.2
77.89490	2.2
79.05492	8.1
81.07059	20.2
83.04976	3.7
83.08626	11.2
85.06544	2.3
85.10182	2.8
90.37924	2.1
91.05487	13.3
91.81742	2.1
93.07045	16.2
95.08606	30.6
97.06532	7.6
97.10175	7.8
97.98083	2.1
98.10562	2.4
105.07034	22.1
107.08610	15.1
109.10152	14.6
110.02918	2.1
111.11732	5.3
117.07043	2.5
119.08569	12.6
121.06470	2.2
121.10149	12.1
123.08072	4.1
123.11662	4.1
129.06990	2.3
131.08562	8.3
133.10118	19.8
135.08061	5.3
135.11708	10.8
137.88232	2.3
142.07782	3.0
143.08559	2.8
145.10114	8.6
147.11717	5.4
149.09631	10.0
149.13297	2.7
157.10130	17.2
159.11768	11.2
161.09665	3.3
161.13216	4.0
163.11180	12.6
171.11728	4.7
173.13249	4.7
175.11229	3.5
175.14743	2.8
177.12781	4.7
183.11711	4.6
185.13235	6.1
187.14851	3.2
197.13280	5.5
199.14763	3.2
205.19530	2.8
211.14868	5.1
213.16391	4.1
216.25116	2.2
225.16302	4.3
253.19511	3.6
275.23767	4.3
289.25284	6.3
329.62607	2.2
341.78842	2.0
365.32059	20.8
383.33075	100.0
383.38040	4.7
384.33429	9.8
393.07019	2.2
401.34088	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86875	0.5
55.05527	2.8
56.05031	1.9
57.05824	0.7
58.06575	0.8
60.94115	0.7
62.34691	0.6
69.06726	0.8
69.07070	9.2
69.71159	3.1
70.02937	1.1
70.05123	0.6
70.06597	9.0
71.06938	0.7
71.66435	0.5
72.08155	37.5
75.17853	0.5
76.04007	0.6
82.06563	0.8
83.06100	6.7
84.04503	10.2
84.08150	5.4
85.04004	0.7
86.09704	100.0
87.05584	5.3
87.10034	2.1
91.05472	1.8
93.04538	1.0
95.06084	1.1
96.08115	1.1
98.02433	1.0
100.02002	0.6
101.07154	1.6
102.05535	2.0
110.02387	0.8
110.06054	0.7
110.06434	0.8
110.07166	10.2
110.09686	1.0
112.08742	1.0
113.10769	2.1
114.09142	0.5
116.07099	0.8
119.04922	1.0
120.08115	0.7
124.07591	2.2
127.08669	4.4
128.10707	2.7
129.06604	1.7
129.10225	4.3
133.06082	1.8
136.07573	12.7
138.06624	0.7
138.09117	2.9
141.06587	0.6
141.09177	0.4
141.10214	8.8
143.11792	1.2
144.06544	8.4
147.07664	1.1
152.07071	2.5
152.10713	0.9
155.11784	2.0
157.09663	1.2
157.13361	2.1
161.09178	8.0
164.11842	2.3
169.09737	5.8
171.11325	1.3
175.10715	4.9
175.11977	0.6
182.08163	1.4
183.11282	7.7
185.09248	1.3
185.12894	1.5
186.12378	10.3
193.09685	6.0
193.10918	0.6
194.08197	0.7
194.10080	0.7
196.14433	4.2
197.03642	0.6
197.12856	2.2
200.10309	0.6
200.13933	4.4
209.13971	2.6
211.10770	6.6
213.08575	0.7
214.11861	8.1
214.15530	0.8
219.13393	0.6
221.09146	0.8
224.13928	1.9
225.12326	0.7
228.13429	39.7
229.13808	1.3
237.13426	2.9
240.12531	0.7
246.14481	1.1
255.09753	1.7
265.15439	0.9
271.13794	0.6
272.12387	2.0
282.18140	4.1
284.19507	0.7
289.14981	2.8
304.65009	0.6
312.37857	0.7
327.20184	4.6
347.58945	0.6
370.29959	0.6
384.22668	3.0
385.20779	1.1
402.25204	2.8
402.28857	0.8
403.21902	0.8
428.59497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.6
56.05028	12.4
57.03433	4.9
57.07071	35.2
58.06318	5.6
58.06601	100.0
58.07393	5.9
60.04518	4.5
63.39922	3.0
67.05499	21.3
69.03426	5.2
69.07052	13.3
69.30021	15.4
69.30422	5.1
70.06594	23.0
70.07412	3.2
71.04979	7.2
71.08634	23.8
72.08138	7.1
72.08968	6.7
79.05479	12.8
81.03407	7.1
81.07051	32.6
82.06570	11.9
82.07377	6.5
83.04987	3.6
83.08591	12.6
84.08092	4.8
84.08951	3.9
85.02899	6.0
85.06544	4.4
85.10177	5.8
86.06061	82.9
86.10509	3.8
87.55424	2.7
88.07603	16.0
91.05480	98.7
93.07040	10.4
95.04936	5.1
95.07350	4.0
95.08601	28.4
96.08920	7.5
97.06531	15.6
97.10194	4.4
99.04461	3.4
99.08080	3.9
100.07664	3.9
102.09168	9.9
105.07023	15.8
105.07627	3.6
107.08569	6.4
108.08110	6.5
109.10141	12.1
110.08986	5.0
110.09692	55.6
110.10422	5.0
112.08835	2.8
114.05505	7.3
116.07137	3.4
117.07011	63.2
119.08595	4.8
121.06487	3.4
123.11672	3.3
125.09601	11.1
127.03909	4.0
128.06201	5.0
128.07086	9.1
129.06987	20.8
131.08543	27.7
137.05937	3.9
137.13278	3.7
138.09102	3.2
139.44951	3.1
143.08566	25.5
143.21046	2.9
147.11702	3.8
149.02344	8.1
154.12119	3.4
157.10109	8.1
171.11557	3.7
185.13239	16.0
203.14342	15.7
235.62442	2.9
239.23616	3.7
240.24023	6.7
245.19003	9.2
284.46231	3.1
291.68887	3.2
295.20370	3.6
297.22134	13.0
315.23257	4.6
328.26324	50.6
329.26663	5.0
338.24979	3.7
340.35638	24.3
346.27493	6.7
356.25778	15.2
366.30612	3.3
374.26846	95.0
375.26920	11.0
402.26382	90.5
402.39368	66.3
403.26855	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	35.2
69.60487	100.0
70.64277	24.9
81.07050	69.6
82.59295	25.0
89.07638	28.2
91.05503	42.6
95.08642	39.1
98.22633	40.1
108.54728	29.7
275.20087	91.4
349.23721	52.5
367.24939	60.5
412.63205	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86726	0.9
55.05517	4.7
57.03433	2.5
57.07080	7.3
58.06595	3.7
59.08826	1.0
63.43349	0.9
67.05506	7.1
69.07081	5.1
70.06590	23.0
71.05003	1.5
71.08631	4.2
72.08154	50.9
73.08511	1.0
79.05500	2.8
80.27483	0.9
81.07072	8.1
83.08652	3.5
84.08139	2.6
85.06561	1.6
85.10201	2.4
86.06072	1.0
88.07642	3.6
91.05490	2.3
92.51291	1.0
93.07057	3.2
95.04972	1.8
95.08605	11.0
97.06543	3.4
97.10180	1.4
100.07650	1.9
104.07095	10.4
105.06984	1.0
106.49629	0.9
107.08639	2.2
109.10184	3.3
110.07253	0.9
110.09682	1.1
121.10170	1.6
122.09728	1.1
123.11747	1.1
124.97284	1.2
130.08640	100.0
131.08981	1.5
135.11722	1.6
144.10231	1.6
159.11705	1.0
162.08521	0.9
169.15933	2.3
182.11838	1.2
223.48103	1.0
252.06767	1.0
264.43539	0.8
278.18533	1.0
281.24966	1.0
324.28973	9.8
325.29727	1.0
342.30133	2.9
348.43311	0.9
366.29935	1.4
384.31094	25.9
385.31598	3.7
402.32205	82.7
403.32965	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	403.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69373	2.1
60.05653	4.4
65.89589	1.7
67.34524	1.7
69.92994	2.2
69.93335	7.5
70.06593	18.3
71.06935	4.0
72.08144	3.1
84.08138	3.6
84.67641	1.9
85.16245	2.4
86.09711	22.3
86.10180	2.5
98.97629	4.1
100.86023	2.0
110.06100	3.4
116.07124	3.8
116.98637	2.5
129.10202	2.9
131.01949	7.0
131.98550	3.0
135.77362	2.0
149.03040	2.5
158.03012	10.2
158.09245	2.7
158.99956	4.0
172.08202	3.3
175.11966	11.1
176.04086	9.4
177.00960	26.5
178.01045	3.7
189.00986	5.0
198.09669	3.8
205.00494	4.1
208.10345	6.0
226.09373	8.2
242.07230	26.2
243.07538	3.6
244.10399	17.2
254.06946	3.9
254.09244	3.7
256.08890	7.3
272.10211	43.0
273.10339	2.5
274.09888	5.2
288.20459	4.1
290.10800	43.7
291.10983	2.7
298.62036	2.6
301.09677	3.7
308.10599	5.9
337.14630	2.6
343.11935	2.6
367.15707	3.0
379.03485	2.4
385.16959	4.7
402.69440	3.9
403.17877	100.0
403.22778	5.6
403.69235	2.4
404.18085	22.6
421.15152	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30272	0.8
50.77670	0.7
55.05510	6.8
56.05046	5.2
58.06605	1.6
60.04527	1.9
61.90973	0.8
62.34681	0.8
69.07068	6.1
70.02937	1.9
70.06598	25.0
71.06952	1.1
71.28925	1.4
72.08160	66.0
73.08496	4.4
74.06081	6.8
82.06592	1.3
83.06112	2.9
84.04507	28.9
84.08148	17.0
85.02901	1.3
86.09710	100.0
87.05606	3.1
87.10044	3.2
88.04012	2.1
91.05472	1.3
93.04536	1.1
93.07037	1.8
95.06116	0.9
96.04542	0.9
96.08194	1.0
98.06081	1.1
99.05599	1.0
101.07139	6.8
102.05573	4.5
110.02402	0.9
110.07166	24.0
111.06873	1.5
111.07513	6.8
112.08727	2.2
113.07143	0.9
115.08688	1.5
116.07086	6.0
117.88802	0.9
118.08675	1.1
119.04980	1.7
120.08115	3.2
121.06516	2.5
121.19021	0.8
124.11140	1.0
127.08659	1.7
128.10738	1.7
129.06589	0.9
129.10248	14.1
130.08653	1.3
130.09787	0.8
132.10199	1.5
138.09132	0.9
141.10281	1.0
142.12292	1.7
143.11798	5.7
144.06563	21.6
145.07004	0.9
147.04424	1.2
152.10724	0.9
155.08128	1.2
156.07756	1.4
156.10222	1.7
157.09712	3.3
157.13350	1.9
161.09235	22.8
166.06190	1.6
167.06537	1.0
169.09657	1.1
169.13393	1.1
170.11847	1.3
171.11313	3.5
173.05595	0.9
173.12869	5.3
175.03931	2.2
175.10812	2.6
183.11273	1.4
185.12906	1.1
187.10851	4.0
187.12833	1.3
187.14426	10.0
189.12370	11.9
190.12639	1.3
197.12865	4.7
199.17999	0.9
201.12367	7.1
203.13913	2.2
205.12207	1.3
207.06604	4.8
209.14111	1.3
214.11913	1.3
215.10408	1.8
215.12158	1.5
215.13922	9.7
219.13408	1.4
221.11153	1.4
229.11858	3.4
229.15535	2.6
233.15076	2.0
237.13507	3.2
238.13847	3.3
247.12888	5.2
258.14273	1.0
272.12372	1.7
286.13940	1.3
296.16190	1.1
303.14389	1.4
304.15091	2.6
315.69513	1.0
403.13239	5.5
403.21844	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14119	0.5
55.05515	6.0
56.05037	2.9
57.05819	1.2
58.06602	1.4
62.83661	0.5
65.76924	0.5
69.04536	0.4
69.07068	7.7
69.72348	2.2
70.06590	8.5
72.08156	77.0
73.08494	1.9
74.06082	7.0
83.04956	0.6
83.06100	0.6
84.04512	4.3
84.08138	5.5
85.02857	0.5
86.09705	100.0
87.10032	3.4
88.04004	1.4
93.07046	1.5
98.22697	0.7
101.07140	3.1
102.05541	1.4
109.02781	0.6
110.07146	2.7
110.09667	1.2
112.03954	0.7
112.07652	0.6
114.40323	0.4
116.07103	1.6
119.04963	0.5
121.06513	2.5
122.43650	0.5
127.08701	0.8
128.10738	2.3
129.09320	1.0
129.10234	12.8
130.04959	0.7
130.08603	0.7
132.10156	1.0
141.10262	0.9
142.12283	5.1
143.11838	2.6
144.06575	2.2
144.12225	0.6
147.04318	0.5
152.10666	1.6
155.11806	1.5
156.10207	0.5
157.09753	2.8
157.10872	0.5
157.13385	0.9
161.09212	1.2
169.13333	1.0
171.11255	1.0
173.12860	12.7
175.03941	0.5
175.10750	1.3
183.11284	2.1
185.12857	1.5
185.16566	0.7
187.10889	1.3
187.14415	8.1
189.12354	19.0
190.12663	0.7
197.12857	11.8
201.12367	7.7
205.12189	1.3
207.06538	1.3
211.10869	0.8
215.10399	1.1
215.13919	8.6
219.13348	0.6
229.11841	2.2
233.11281	0.6
240.13426	0.6
247.12920	7.4
248.13322	0.5
251.17426	0.9
270.18015	0.6
272.12280	1.2
290.17078	1.7
296.19656	6.4
326.85144	0.6
345.26434	0.5
357.07669	0.5
385.24417	0.7
403.22565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.4
56.05036	2.9
57.05818	1.2
58.06610	0.9
58.68039	0.7
60.04531	0.9
60.05647	1.3
61.01100	0.7
69.07062	3.9
69.45697	4.1
70.06207	1.0
70.06593	16.9
71.06931	1.3
72.08157	100.0
73.02919	1.8
73.04034	0.8
73.08495	2.4
74.06091	4.3
74.81326	0.7
82.06567	1.4
83.06104	13.2
84.04507	24.9
84.08141	10.0
85.02897	1.8
85.04076	0.8
86.09708	98.1
87.05547	1.1
87.10026	4.0
88.03984	4.7
91.05462	0.9
93.07047	0.7
96.04520	0.9
96.08125	1.4
98.02436	1.5
98.22713	1.4
98.82557	0.6
100.03985	1.3
101.07139	3.2
102.05553	5.3
110.07169	2.3
110.09653	0.8
112.08725	2.1
113.07102	1.5
113.10767	1.0
114.09206	1.1
115.08707	1.4
116.07136	3.8
119.04952	2.1
120.08125	1.0
124.11248	0.8
127.05061	1.2
127.08675	2.4
128.10736	1.4
129.06606	3.0
129.10254	5.4
130.05014	0.8
130.06505	1.2
130.10574	0.7
132.10213	0.8
134.08119	0.8
136.07544	1.2
138.09160	1.7
141.06590	2.7
141.10231	5.1
142.08621	1.8
143.11812	7.4
144.06555	9.4
147.04401	2.0
152.10704	2.4
155.08150	1.6
155.11777	1.2
156.10187	5.2
157.13351	2.1
159.09151	1.3
161.09216	0.9
162.07623	13.3
164.10722	3.0
169.09787	1.0
169.13399	1.8
169.70163	0.8
171.11351	4.4
173.09349	0.8
173.12885	3.7
175.03938	3.3
175.10741	16.2
177.05721	0.8
178.94890	0.7
181.08495	1.2
183.11224	3.4
183.14960	1.0
184.09683	1.4
185.12917	4.1
186.12323	1.8
187.10843	6.5
187.12607	1.2
187.14343	3.3
189.12331	9.9
196.14473	9.9
197.12848	11.6
201.12343	34.3
202.12703	1.0
203.13988	0.7
207.06520	8.3
214.15561	4.9
215.10358	3.7
215.11952	0.6
215.13910	4.0
215.15636	0.7
219.13316	2.5
224.14140	4.2
225.07549	2.7
225.12289	2.8
225.16008	1.4
229.11855	22.8
230.12279	0.9
233.11401	5.3
233.14973	1.0
240.13593	0.8
241.14253	0.9
242.14958	1.1
270.18039	0.8
290.17078	0.7
296.19583	1.4
328.18573	1.4
370.26300	0.8
385.20560	5.5
386.21301	1.4
401.29825	0.6
403.15363	1.6
403.20605	1.5
403.28702	1.6
404.22305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.05029	2.1
56.96558	4.4
59.12403	0.7
59.77219	0.6
60.04512	1.4
60.05370	1.2
60.05649	17.1
68.05022	1.1
69.03443	0.9
69.07055	1.3
70.02929	1.3
70.06592	81.3
70.07265	2.5
71.05011	3.8
71.06913	2.6
72.08154	19.5
73.02903	0.8
74.06070	1.8
81.03465	0.7
83.06065	0.7
84.04520	5.2
84.08143	19.9
85.02885	1.5
85.04019	1.4
85.07702	1.0
85.08472	2.4
86.09705	64.6
87.05582	1.1
87.10036	1.7
88.03976	7.4
95.06081	2.2
96.04485	1.1
96.08115	1.8
97.07631	2.0
98.02390	1.1
98.06058	2.6
98.97591	6.8
100.03989	1.5
101.07135	1.5
102.05537	2.3
102.96870	2.3
110.02415	0.7
110.07179	1.2
110.97595	0.8
112.07539	0.9
112.08735	15.7
113.07137	2.2
113.09104	0.8
113.10773	1.8
114.10300	1.6
115.08682	8.7
116.07088	18.1
116.98598	3.2
120.97932	0.9
127.04982	1.1
128.11783	0.8
128.98560	0.8
129.01799	0.8
129.06532	0.9
129.09331	1.2
129.10242	20.7
130.05002	2.9
130.08838	0.9
130.09755	5.2
130.10614	2.1
130.93344	0.8
132.10205	1.1
133.06104	1.1
133.09715	0.9
134.99590	0.9
138.06609	1.1
138.09123	2.6
140.08170	2.8
140.10692	1.1
141.06567	0.9
141.10231	6.3
142.08699	0.9
143.01947	0.9
143.08128	1.3
147.07634	3.1
147.11290	0.9
155.11758	0.8
156.10175	6.0
156.11342	4.8
157.01707	1.0
157.09688	1.0
157.10835	2.6
157.13383	1.0
158.05586	1.3
158.09247	16.0
161.02983	1.0
163.03905	1.1
169.09694	0.7
171.14899	0.8
172.94321	1.2
173.12866	0.9
175.11906	42.0
176.12204	1.3
177.00800	0.7
183.11206	3.4
183.14885	0.9
184.09705	1.7
186.12366	2.8
190.95432	0.8
200.13853	1.4
201.08682	1.1
201.10489	1.3
201.12357	25.6
202.12566	1.0
203.10400	0.8
214.95573	0.8
216.98657	1.2
219.02014	1.1
229.11797	2.6
229.15359	1.0
232.96487	1.0
237.02901	1.5
237.76636	1.0
242.17413	2.5
242.19652	0.7
243.13506	1.2
250.52109	0.7
253.16605	2.3
255.10861	2.4
260.16275	1.2
261.14673	3.0
262.14581	0.9
271.17606	4.7
272.95822	0.9
273.11969	2.3
278.96857	3.9
285.19394	1.0
287.12701	3.0
288.20288	60.0
289.20459	3.1
290.14545	8.0
290.96738	0.8
296.97827	2.8
305.13849	1.2
324.20517	0.9
368.19174	2.0
385.21780	1.0
386.20346	5.1
403.22906	100.0
404.23032	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	403.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
56.05037	4.9
56.96559	0.9
57.75721	0.5
60.04517	1.4
60.05639	1.6
69.07059	1.9
69.37859	1.5
69.38270	1.8
70.06597	15.5
71.04980	0.8
71.06909	0.6
72.08159	45.1
73.08491	1.3
74.06075	1.9
78.20765	0.5
82.06583	1.1
83.06097	0.6
84.04042	0.9
84.04514	11.1
84.08147	100.0
85.02889	0.9
85.06529	1.0
85.08482	2.0
86.09708	50.2
87.10043	2.0
88.03989	1.1
90.05554	1.3
90.68137	0.5
91.05518	0.5
94.06578	0.6
96.08147	1.4
97.07671	0.7
98.97594	0.7
101.10782	4.2
102.05548	7.1
102.09210	0.9
110.07184	2.1
111.09270	0.7
112.07666	0.9
112.08720	2.7
113.07173	0.7
114.90965	0.4
115.08727	0.9
116.07136	2.1
119.04963	1.0
120.06583	0.7
120.08104	0.6
123.09268	0.5
127.08728	1.1
128.07106	0.6
129.06653	2.0
129.10243	60.5
130.05032	1.6
130.08694	1.1
130.09746	0.6
130.10634	1.4
132.10226	0.7
136.07672	0.6
140.08171	0.8
141.06621	1.0
141.10265	0.6
142.08716	0.8
143.11823	0.6
144.06548	5.2
144.10188	3.0
147.04436	0.9
148.06087	1.5
152.14445	1.8
155.08250	1.6
157.09796	1.2
157.13455	1.7
158.09267	0.6
159.07790	0.7
161.09277	1.2
161.12872	2.7
162.07632	6.4
170.11871	1.0
171.15068	1.7
173.09241	3.7
175.03966	1.1
175.12057	2.5
179.15602	0.5
185.12930	1.3
185.16493	5.3
186.12502	1.0
187.10919	2.3
187.14517	1.1
189.12469	1.5
191.10393	1.4
197.13026	1.4
197.16479	4.4
199.14426	1.2
201.08684	4.6
201.12555	2.2
203.13902	2.7
205.12015	0.9
207.04845	0.7
207.06503	3.5
213.16019	3.1
214.19240	0.6
215.10484	1.7
215.13863	2.7
219.01791	0.6
224.17784	2.3
225.16084	1.0
229.12061	1.8
241.01372	2.3
242.18652	6.2
247.13077	1.4
270.31989	0.6
274.18811	0.7
274.21521	0.8
275.15955	4.9
284.19965	0.6
288.20529	2.0
290.14868	0.8
296.16412	0.7
296.39050	0.5
314.17307	0.6
385.24603	3.3
386.23941	1.0
403.07376	0.7
403.16251	3.1
403.25977	19.2
404.22821	0.5
404.26184	2.0
418.52032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.1
56.05035	3.7
57.05815	0.8
58.06603	1.3
65.85439	0.6
69.03439	0.7
69.07066	7.9
69.81917	2.9
70.06589	7.8
72.08153	93.1
73.08488	1.7
74.06078	8.3
80.77505	0.6
84.04494	3.6
84.08135	4.7
86.06078	0.8
86.09702	100.0
87.10024	3.2
88.03983	0.8
98.06063	0.7
101.07170	4.5
102.05499	0.9
102.09173	2.2
104.97467	0.7
110.07155	1.7
110.09687	1.7
112.03951	1.4
112.08709	0.6
116.07083	1.5
125.10687	0.8
127.08714	0.9
127.12299	0.9
128.10687	4.3
129.10220	5.9
132.10181	0.7
142.12256	7.5
143.11786	2.0
144.06607	1.1
152.10686	1.7
155.08124	0.9
155.11740	2.4
157.09705	1.4
157.13326	0.7
161.09175	0.7
169.13255	0.8
171.11295	0.8
173.12856	18.6
183.11223	2.6
187.10846	0.8
187.14413	10.8
188.14684	0.9
189.12331	30.2
190.12526	0.9
197.12854	16.8
201.12332	9.5
203.13867	0.8
207.06453	1.6
211.10745	1.0
215.10280	1.5
215.12141	0.9
215.13911	11.5
229.11665	0.9
247.12828	2.5
251.17552	1.3
270.18103	1.0
272.12299	0.7
290.17123	3.1
296.19641	10.6
314.20587	0.8
326.79382	0.6
362.18610	0.6
385.24188	1.2
403.28131	2.1
404.22202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.3
58.06588	2.5
64.77621	1.4
65.20634	1.5
69.07059	3.0
70.06590	8.1
71.29584	1.6
72.08157	2.3
74.06076	2.9
75.05611	5.2
79.05501	1.8
84.08134	2.5
86.09708	100.0
87.10030	3.3
87.66245	1.4
88.61485	1.5
96.73793	1.5
116.07104	5.5
120.06607	2.5
124.10332	1.3
143.11792	21.6
144.34839	1.5
157.63162	1.4
170.06009	1.9
171.11299	10.1
177.74281	1.4
201.05791	1.7
215.13885	7.1
233.14978	9.2
239.17525	2.6
266.52188	2.1
284.19778	3.1
345.13864	1.6
403.08295	3.1
403.15717	3.0
403.27444	8.6
404.29834	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	403.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94350	1.2
57.07074	2.3
59.39847	1.2
64.37137	1.3
65.16998	1.2
67.05489	1.8
68.99820	1.4
69.07061	1.6
71.00495	1.4
78.46183	1.3
80.27068	1.3
81.07075	1.9
91.05433	1.6
95.08591	2.3
98.22573	3.3
98.44359	1.4
107.08568	1.6
119.07146	1.4
127.50309	1.4
129.01898	7.7
129.02740	1.3
137.05942	1.9
157.01352	3.8
177.13152	1.4
185.08165	3.3
371.25562	100.0
372.25888	8.0
385.26926	2.7
403.15305	4.4
403.19247	4.4
403.28104	8.6
403.35944	2.5
404.19778	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	403.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66720	1.3
54.78399	1.1
55.05518	1.4
57.03438	2.8
58.06603	2.1
58.65885	1.1
67.05499	4.5
69.07086	1.5
69.37910	2.0
69.38309	6.1
69.90497	1.3
70.06592	3.2
71.04995	1.5
72.08151	5.0
75.32405	1.1
79.49419	1.1
81.07051	3.3
83.04989	1.2
84.08138	4.2
85.08929	2.3
86.09709	1.7
91.05480	26.8
93.07060	3.2
95.04971	100.0
95.08611	2.8
96.05313	1.5
96.08147	1.2
98.09727	1.7
98.23387	2.0
99.04432	1.6
100.11221	1.1
102.09183	24.8
105.07011	3.2
108.08136	1.2
117.07034	10.3
119.08645	1.3
120.08133	1.5
121.10081	1.6
122.09680	3.2
125.82231	1.2
126.78979	1.3
129.01915	1.3
129.07040	3.6
131.08565	8.5
133.10104	1.4
133.23026	1.1
140.10721	1.7
143.08557	2.6
146.22015	1.1
149.09567	1.3
181.10152	1.2
257.19003	2.0
270.88773	1.3
275.21274	1.2
278.73602	1.3
313.21658	9.4
321.84698	1.2
322.21826	1.8
340.22760	1.7
340.26367	5.1
358.27448	10.9
367.27432	20.9
374.09012	1.3
376.28397	4.6
385.28467	18.5
386.28625	1.6
403.29547	70.9
404.30264	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	403.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.4
57.07078	29.8
64.43258	1.8
69.07079	3.5
71.08635	29.8
71.30898	2.1
71.31264	2.5
72.44982	1.9
80.52792	2.4
81.07081	2.4
83.08630	2.4
85.10182	12.1
89.06033	100.0
97.10186	3.7
103.52244	1.9
107.07078	7.2
111.11731	2.6
113.13345	2.3
117.72375	2.1
129.01900	3.0
130.08658	2.1
133.08601	15.9
149.61996	1.8
151.09654	29.1
196.68520	2.2
238.26294	2.1
298.73688	2.1
317.75974	1.9
330.49249	2.3
337.95291	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	404.1531
Annotation	Perphenazine
Peak:m/z	Relative Intensity
50.29841	1.0
57.18045	0.9
59.00632	1.0
63.62281	1.0
69.39299	6.8
69.79041	1.1
70.06586	2.2
70.91664	0.9
72.08161	2.0
84.08118	1.3
86.09724	2.6
97.02923	1.4
107.19614	0.9
110.06062	3.0
112.03714	1.2
130.06548	1.1
217.28798	1.1
239.18253	1.2
242.10007	4.2
287.11005	9.1
301.53152	1.3
333.11560	2.1
404.15283	100.0
405.15735	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89971	1.4
68.73443	1.7
69.07048	1.6
69.10840	12.7
70.06596	11.9
72.08134	3.6
84.04486	2.1
84.08157	2.5
85.02878	3.6
86.09706	12.3
87.10060	3.4
91.05479	15.8
105.06997	1.6
118.06904	3.0
119.04955	25.8
121.10238	1.8
129.10231	2.0
131.08586	2.1
136.64603	1.6
147.04408	19.0
147.11627	2.3
156.09467	2.0
157.03935	2.4
167.10481	1.7
171.11745	3.1
175.03903	41.5
176.04256	3.3
179.06949	2.4
187.14394	3.4
188.14734	2.6
189.12582	2.6
189.47658	1.8
192.04172	9.9
207.06534	100.0
207.13834	9.0
208.06842	5.7
215.13969	2.8
216.14259	1.8
225.07576	29.0
226.07867	2.7
230.00629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29059	1.2
57.07045	1.5
58.06605	3.6
58.40221	1.4
58.69537	1.3
68.98088	13.9
69.03423	2.5
69.07063	1.7
69.21204	1.4
70.06597	5.3
72.08152	4.2
74.06076	4.7
77.70850	1.3
84.08136	2.3
85.02893	7.6
86.09696	10.2
87.10055	1.4
90.76028	1.3
91.05489	14.4
97.02888	2.5
101.74566	1.4
119.04948	27.5
132.04779	1.5
142.08679	1.7
146.03687	1.5
147.04425	24.9
149.02312	1.5
157.03900	1.9
163.92737	1.6
175.03917	39.5
175.05420	2.2
176.04102	1.4
179.06975	2.3
180.08669	1.9
192.04196	11.2
201.44211	1.4
207.06538	100.0
208.06927	3.8
225.07570	26.5
252.18205	1.4
368.28064	4.1
386.29065	3.7
404.29883	4.5
405.17038	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13390	7.2
68.15266	6.7
70.06599	35.6
70.24776	23.0
72.08150	48.6
84.04548	6.6
84.08138	19.9
85.02908	10.3
86.09708	100.0
87.10055	26.1
91.05485	12.9
93.07156	8.0
99.73530	6.1
102.09238	8.1
110.07234	7.1
119.04935	9.4
128.10777	8.8
129.10284	10.5
136.94772	6.6
143.11804	17.3
147.04436	25.0
171.11496	7.7
175.03920	47.3
207.06531	98.0
218.00662	7.5
225.07526	34.0
242.14018	7.9
248.13344	9.0
346.89774	7.5
404.16046	20.9
404.21976	14.4
404.30026	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12941	0.7
55.05533	1.0
56.96561	15.9
58.06598	2.0
67.05496	1.6
69.14429	6.2
70.06570	1.9
71.95255	3.5
72.08157	9.7
79.05488	4.1
81.07052	12.6
84.08137	3.0
85.08921	1.0
91.04964	1.3
91.05482	16.3
93.07051	1.2
94.04173	1.7
95.08596	1.7
98.97582	84.4
105.07043	2.4
107.08622	1.4
116.98620	61.5
117.07015	9.0
121.06462	1.3
122.03629	4.6
129.06999	3.1
131.08563	2.4
134.98618	0.9
134.99655	32.3
137.05974	49.2
138.06308	1.1
140.00189	3.1
143.08543	4.5
153.00728	3.6
157.10197	1.0
158.01248	2.1
162.35921	0.8
179.00194	2.0
185.13269	3.4
194.73396	0.7
197.01167	2.1
198.02077	1.7
202.41121	0.7
203.14330	1.4
210.16357	0.8
211.02808	1.5
220.00429	2.3
224.09677	1.6
226.08910	0.9
226.11136	16.7
227.11526	1.0
230.39322	0.8
235.02763	56.9
236.03180	2.0
238.01463	3.3
242.10768	1.6
244.12231	8.6
253.03833	100.0
254.04248	4.0
268.12186	5.7
271.04852	6.0
276.05457	9.6
280.12238	1.7
288.28421	1.0
291.44864	0.9
299.23703	4.9
344.15393	8.6
344.29480	23.2
345.15601	1.0
345.29684	1.8
362.16364	2.4
404.17438	67.5
404.31622	20.7
405.17670	4.7
405.31589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21560	2.8
55.01862	3.3
55.05520	4.7
62.17540	2.6
67.05473	3.1
67.64660	2.8
68.99799	3.4
69.07079	4.3
69.16485	26.2
69.96817	3.0
70.06590	66.4
72.08157	12.4
74.57664	2.9
79.05462	7.8
81.07075	3.3
84.04514	6.6
84.08163	17.1
85.02912	18.7
85.06553	4.1
86.09696	44.3
87.10044	11.9
88.48268	3.1
91.05465	20.3
95.08617	6.2
97.02828	3.3
105.07027	24.2
107.08582	18.8
109.06504	4.5
118.06918	14.9
119.04969	9.3
119.08588	21.4
120.08122	9.3
121.02907	6.0
121.06527	3.0
121.10146	10.4
122.46671	2.9
123.08051	5.4
123.11747	4.0
129.10245	21.8
130.06541	7.5
131.08595	11.0
133.10132	8.1
135.08040	34.1
137.09624	3.5
143.08595	9.4
145.10136	9.4
147.04408	7.5
147.08025	20.3
147.11685	19.8
149.09639	10.0
156.09323	18.9
157.78528	3.0
159.09183	8.3
161.13264	12.6
165.09209	4.5
165.12793	4.6
171.11693	40.2
175.03909	14.8
187.14433	6.4
188.14871	3.9
189.12735	29.1
192.04207	5.2
203.34863	3.2
207.06537	39.8
207.11841	4.9
207.13802	100.0
207.15651	6.4
208.06825	3.3
208.14186	5.9
215.13969	4.0
225.05652	2.9
225.07637	14.5
235.14874	3.2
307.05951	3.9
310.55771	3.9
348.09476	10.6
373.18588	5.0
376.08932	11.4
404.08383	29.3
405.09497	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38491	1.3
53.87461	1.2
55.05501	1.5
55.55345	1.2
56.05039	4.1
56.79862	1.2
59.37537	1.3
67.05521	1.4
69.07066	2.0
69.76373	3.6
69.76770	2.5
70.06593	39.4
72.08154	18.4
74.06085	5.0
84.04488	7.8
84.08144	12.8
85.02901	2.2
85.15812	1.6
86.09705	19.3
87.10047	4.5
91.05476	2.1
98.22673	1.7
101.07164	6.1
102.05576	1.7
104.05327	1.7
110.07206	1.6
118.06911	8.1
118.33837	1.3
119.08553	2.6
120.08097	4.0
121.84303	1.1
128.10748	5.1
129.06645	1.2
129.10223	10.6
130.06543	5.5
132.08099	2.4
133.06499	1.7
136.06183	3.7
142.06599	1.6
143.11823	2.6
144.08084	3.9
144.12161	1.6
145.10184	1.5
146.05997	7.8
146.11882	2.0
147.11671	4.5
159.09192	9.5
167.10661	1.4
170.06046	4.5
173.12880	20.3
182.05045	1.4
186.12514	2.3
188.07079	16.0
189.12706	10.5
201.12318	7.3
205.09734	9.0
207.06581	2.3
258.16080	2.7
274.12238	3.3
299.10367	1.4
345.10727	2.1
373.10605	2.0
373.18790	2.0
379.84503	1.5
405.17303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
51.92540	1.0
53.03937	3.3
55.01863	0.9
55.05510	3.6
55.06943	1.0
57.03431	2.4
61.02927	2.5
62.84927	0.8
65.03919	0.9
67.05501	3.6
69.03431	6.4
69.06676	1.9
69.07065	38.9
69.18655	2.0
69.19057	5.4
70.06599	2.5
71.04980	1.0
71.08666	1.4
72.08157	3.3
75.44749	0.9
79.05486	11.4
81.03439	1.7
81.07055	18.8
83.08620	1.7
84.04512	1.0
84.08149	3.9
85.02905	18.3
86.09720	1.3
87.04489	3.3
91.03951	1.9
91.05481	13.9
93.07043	21.8
95.04973	3.2
95.08601	8.9
97.02894	6.7
97.06547	3.1
99.04458	1.5
101.05987	1.4
105.04503	1.2
105.07028	31.9
107.04957	2.7
107.08595	19.6
109.02905	1.5
109.06524	4.4
109.10185	1.9
111.08067	1.3
119.04916	1.5
119.08580	24.8
120.08913	1.2
121.10139	46.7
122.10456	1.3
123.08076	4.3
123.11713	1.9
125.05981	13.2
127.03910	2.5
127.07586	1.3
129.05492	2.1
129.10208	1.2
131.08582	2.1
133.06493	3.9
133.07515	1.1
133.10118	13.1
135.11708	2.9
137.05968	13.4
139.07571	4.4
145.04974	3.8
145.10100	1.8
147.08067	5.3
147.11688	3.2
151.07538	20.3
159.11647	1.4
161.13249	100.0
162.13647	4.7
163.14868	5.6
165.09030	1.6
170.15477	1.1
171.11682	2.8
179.14282	11.9
189.12750	23.4
190.13097	1.8
207.13795	65.2
208.14136	2.7
264.07727	1.1
285.80112	0.8
352.07605	0.9
386.48550	1.1
404.15463	1.6
404.20151	1.8
404.23999	1.4
404.28537	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82908	23.2
55.01876	34.0
55.05497	44.2
58.66803	26.2
61.94026	25.4
67.05510	43.8
69.26723	93.1
69.27127	72.0
70.06577	27.2
81.07074	51.8
82.81838	27.6
91.05479	35.3
93.07062	30.4
95.08617	39.8
98.22629	57.4
99.08092	34.0
107.08598	37.3
111.08082	48.1
135.78049	25.7
188.23399	30.2
233.07372	29.0
277.21640	100.0
279.18811	28.2
351.25403	90.2
369.26056	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.5
55.05508	5.5
56.05029	3.7
57.05825	1.0
58.06601	0.8
59.11908	0.5
60.04526	9.7
69.03430	1.4
69.07064	8.4
69.27180	3.7
70.02950	0.9
70.06590	9.1
71.06092	0.7
72.08153	93.0
73.08482	1.5
74.06081	8.5
81.03438	0.6
83.06100	5.7
84.04502	5.2
84.08138	6.7
84.73558	0.5
85.02890	1.9
85.08469	0.8
86.09703	100.0
87.05584	5.8
87.10042	2.4
87.86428	0.5
88.03986	1.0
91.05461	1.7
91.93903	0.5
95.06074	0.8
96.08121	1.0
97.02892	1.3
98.06029	0.7
98.22572	0.7
99.05585	4.1
100.07612	0.6
101.07146	0.9
102.05529	2.1
106.05015	1.4
110.07144	4.1
111.05604	0.7
112.07571	0.6
112.08683	0.7
114.09154	6.5
115.08673	0.6
116.07084	1.9
119.04904	1.2
120.05273	0.9
120.08095	4.6
126.05536	0.6
127.03922	1.0
128.10699	1.5
128.28769	0.6
129.06583	0.9
129.10228	3.3
130.05014	0.8
130.06534	3.6
130.08582	1.3
132.08086	5.4
132.10181	2.7
135.04443	0.7
136.07545	0.6
136.51971	0.5
137.05977	1.7
141.06580	0.6
141.10254	0.9
144.06638	0.6
144.08018	0.8
145.02753	0.6
145.09726	0.8
147.04393	0.8
148.04750	1.3
148.05997	1.0
155.08133	1.1
155.11792	1.0
158.08424	0.9
158.09613	0.9
159.07814	0.9
159.09152	6.1
159.11275	36.5
160.09439	0.7
160.11656	0.8
163.03835	2.5
163.18901	0.6
166.08655	0.9
168.08031	0.9
170.06027	3.4
173.12842	11.0
175.03847	1.4
175.10686	1.2
176.04172	1.7
181.24290	0.6
183.11296	4.5
185.09222	0.8
185.10738	0.8
185.16438	0.6
187.07146	1.1
187.08698	3.5
187.10738	20.6
187.14328	0.7
188.11020	1.0
189.08765	1.0
192.04196	0.9
201.12303	9.9
203.10289	0.7
203.13945	0.7
205.11836	14.4
207.06566	3.5
208.06886	4.5
212.10225	2.3
213.10242	1.0
215.13882	1.5
219.13393	12.7
225.07594	0.8
226.07864	1.6
230.12950	2.8
233.14862	1.6
240.09593	0.9
244.19008	0.8
254.18692	0.6
255.16881	1.8
256.12766	1.8
258.12424	2.6
264.20374	0.5
274.14008	1.0
282.18179	7.1
289.52173	0.6
290.09637	0.5
292.14883	1.7
300.19055	1.8
317.11502	0.6
355.08936	0.8
405.17352	1.8
405.22769	1.7
406.10818	0.7
406.23776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	5.3
55.05510	12.4
57.03428	6.4
57.07071	5.6
66.20083	0.8
67.05507	7.9
69.07069	12.2
70.01328	1.4
70.01676	3.1
71.08627	3.1
79.05508	5.6
81.07050	7.8
83.08621	10.9
85.10204	1.2
91.05480	2.8
93.07039	9.9
95.08611	8.4
96.62527	0.8
97.06535	1.2
97.10168	5.3
104.19826	1.0
105.07048	1.6
107.08601	3.9
109.10171	2.3
111.08089	3.5
111.11742	1.7
113.00017	100.0
119.08595	1.1
121.10155	5.2
123.11723	1.4
135.11697	4.0
137.13348	1.0
139.07536	1.9
147.11746	0.9
149.13234	1.5
153.09134	1.2
154.02620	1.0
163.92596	0.9
169.02614	80.8
170.02936	1.2
177.74037	0.8
210.51573	0.9
219.21034	1.5
237.22096	6.4
260.05734	1.0
285.37158	1.0
300.04340	0.9
321.20905	0.9
399.01163	0.9
405.29248	1.1
405.37540	8.2
406.37219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05507	3.6
57.03429	1.1
57.07063	2.2
67.05508	4.3
69.07063	5.0
71.08634	1.0
79.05489	2.8
79.57565	0.7
81.07068	4.8
83.08623	2.4
91.05485	2.1
93.07043	6.8
95.08600	5.9
97.10168	2.2
98.23459	1.4
105.07042	2.2
107.08591	3.6
109.10189	4.1
111.08086	2.5
113.00018	18.6
119.08593	3.2
121.10149	4.0
123.11726	1.3
131.08591	1.7
131.95055	0.9
133.10164	2.7
135.11731	1.3
137.90996	0.8
139.07574	1.8
143.08582	1.0
145.10133	1.4
147.43939	0.8
149.13278	1.7
153.09119	1.4
159.11719	1.1
161.13239	1.0
163.14828	1.2
169.02605	15.3
173.13329	1.2
174.66139	0.8
175.14740	1.3
183.11638	1.2
185.13271	1.2
187.14812	1.1
189.16573	0.9
191.04973	0.8
193.11998	1.8
197.13257	1.1
215.17950	0.9
235.13028	2.3
239.17583	0.8
253.14105	2.6
256.39609	0.8
271.82962	0.8
319.18652	4.0
405.26120	100.0
405.35394	9.4
406.15341	0.9
406.26385	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	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
50.55879	3.0
50.83151	3.6
53.03945	8.1
55.01860	11.8
55.05513	36.2
57.03429	10.6
57.07066	5.4
57.19991	3.2
61.00152	3.0
65.03939	5.4
67.05505	74.7
69.03426	29.1
69.07068	26.5
69.08033	28.5
71.05003	4.3
79.05495	59.2
79.81448	3.0
81.03422	25.7
81.07060	72.0
83.04973	14.0
83.08616	19.1
85.02894	11.8
85.06536	5.3
89.06058	7.6
91.05485	68.4
93.07045	68.5
95.04955	15.5
95.08601	69.4
97.02885	9.7
97.06530	8.3
97.10159	12.2
99.04446	4.2
105.07027	60.8
106.07341	3.8
107.04971	6.5
107.08591	42.8
109.02840	7.2
109.06506	14.8
109.10140	23.7
111.04444	10.5
111.08063	6.2
111.11672	5.1
113.00021	7.3
115.03927	4.7
115.05421	4.9
117.07027	35.6
119.04960	3.6
119.08591	47.5
121.06489	13.4
121.10134	29.8
123.04462	6.9
123.08070	7.8
123.11703	6.2
127.03893	5.9
128.06235	7.3
129.05507	5.0
129.06998	27.3
131.08580	43.2
133.06461	8.8
133.10118	34.3
135.08067	10.0
135.11702	18.3
137.09576	4.9
139.07495	4.3
141.06955	7.2
142.07806	6.3
143.08551	25.6
145.06528	6.1
145.10110	41.2
147.08035	9.0
147.11696	25.9
149.05943	3.6
149.09671	7.3
149.13217	14.8
151.07533	3.8
155.08560	9.9
157.06516	7.4
157.10139	16.6
159.08029	6.0
159.11725	35.1
161.09578	5.1
161.13280	16.3
163.11121	4.0
163.14731	3.3
165.09100	3.2
169.02609	8.7
169.10129	9.0
171.07977	4.0
171.11717	17.3
173.09634	8.2
173.13245	22.9
175.11156	5.5
175.14757	7.7
177.12843	5.1
183.11719	9.1
185.09630	5.6
185.13243	15.7
187.11139	5.8
187.14832	9.4
189.12744	4.5
195.11731	4.6
197.09462	3.2
197.13278	6.7
199.14876	6.2
201.12796	3.8
209.13435	5.5
211.11143	4.3
211.14719	4.5
213.12706	3.2
213.16438	5.0
225.12688	3.1
225.16261	3.6
259.20441	4.5
271.20676	7.1
273.22134	7.5
275.20096	3.3
277.21594	6.6
285.18466	3.9
285.21927	5.4
289.21655	8.5
301.21539	5.7
303.23178	5.2
315.23203	13.7
317.00790	3.8
317.24866	3.8
327.23224	7.3
331.22720	7.6
341.24658	9.7
345.24121	9.1
351.23096	11.5
359.25745	4.5
369.24332	45.6
369.64053	3.5
370.24274	5.6
387.25275	43.3
388.25839	7.5
389.17535	4.1
404.08832	6.4
405.09708	19.3
405.14551	3.9
405.20584	15.6
405.26175	100.0
405.36917	12.7
406.10602	65.5
406.26535	9.5
423.10455	16.8
424.11624	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05511	1.2
56.05033	1.1
57.03447	1.8
57.05814	0.6
58.06615	0.6
60.49961	0.3
65.03941	0.7
65.72680	0.3
67.05506	2.2
69.07062	1.2
69.11762	1.2
69.12185	1.4
70.06590	3.0
71.04990	0.7
71.07383	1.9
72.08157	90.6
73.08504	1.5
79.05491	1.9
81.07068	2.8
83.05016	0.6
83.08596	0.8
84.08152	1.7
86.09708	6.8
91.05484	24.0
92.05817	0.7
93.07048	1.2
95.08607	2.7
96.08113	0.9
97.06535	2.5
99.08047	0.4
101.08355	0.4
102.09181	0.5
103.05505	0.5
105.07039	3.3
107.04981	0.4
107.08591	0.7
109.10168	1.2
115.05481	0.6
117.07022	10.8
117.96178	0.3
118.07372	0.4
119.08581	0.7
121.06519	0.5
121.10149	0.6
124.11242	2.0
125.09688	0.4
128.06252	0.8
129.07010	4.0
131.08565	5.1
135.11717	0.8
143.08574	4.0
145.10123	0.8
157.10085	2.5
159.11658	0.3
171.11668	0.7
185.13197	1.9
188.19075	0.3
202.08099	0.3
203.14186	0.3
215.54640	0.4
297.22244	0.4
303.87350	0.3
342.27866	2.0
360.28958	6.6
361.29282	0.7
378.30011	11.4
379.30362	1.1
387.30191	2.3
405.31110	100.0
406.31421	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	406.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45943	1.4
56.05026	1.4
57.03421	1.5
70.06593	4.7
71.18929	1.5
71.28799	2.0
72.08153	6.0
72.60617	1.3
76.02223	1.7
80.05618	1.4
81.07079	1.6
84.04508	3.4
91.24500	1.4
98.09714	1.7
110.07142	1.7
111.07774	1.2
116.01706	1.6
125.88036	1.3
130.04967	1.3
156.08461	2.2
162.02196	2.6
198.05301	8.8
214.34267	1.4
222.05881	1.7
244.05812	58.4
245.06096	2.3
259.11105	9.1
271.92102	1.4
281.76266	1.6
318.52911	1.3
360.09311	1.5
406.11047	100.0
406.27896	4.5
407.11295	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01858	1.4
55.05511	5.2
56.05036	7.9
57.03438	3.0
57.07093	2.1
58.99579	1.5
60.04529	3.9
61.01159	1.8
67.05519	2.8
68.05034	1.7
69.03432	5.2
69.07079	7.4
69.07408	1.2
69.84652	5.1
70.02946	2.0
70.06595	100.0
71.05006	2.0
71.06923	2.6
72.08159	28.0
72.38485	1.2
74.06065	1.7
75.05575	1.1
76.02232	5.2
79.05507	8.9
81.03430	1.8
81.07069	11.4
83.04987	2.0
83.06113	1.3
84.04514	14.8
84.08147	25.6
85.02904	9.8
85.06536	3.3
86.00624	1.4
86.09711	29.8
86.99076	1.5
87.02688	1.5
87.05594	5.2
87.10029	1.7
91.05479	14.9
93.07045	17.5
95.04977	1.7
95.08596	6.5
97.02888	2.9
97.06512	1.8
98.06086	2.2
98.09701	3.6
99.09212	6.1
101.10792	1.4
102.05546	2.8
104.05325	4.5
105.07023	18.8
107.08598	23.9
109.06585	1.4
109.10159	2.3
110.07158	5.5
110.09670	1.6
112.03941	1.9
113.04240	1.6
116.01655	3.4
116.07050	1.9
117.07041	5.9
119.08585	16.0
120.08123	20.4
121.10158	11.1
123.04356	1.4
123.08055	2.9
127.08683	26.5
129.07027	2.3
129.10237	16.4
130.05019	6.6
130.06541	3.5
130.08652	1.3
131.07016	1.8
131.08568	43.7
132.08041	7.4
132.08989	1.8
132.10242	2.8
133.10149	12.4
135.08044	9.4
135.11723	2.8
136.07588	5.4
142.06479	1.5
143.08470	5.0
144.01146	2.2
144.08153	2.1
144.09319	2.2
145.05016	1.7
145.10126	10.7
147.07678	4.7
147.11664	6.4
149.13319	3.2
155.08134	8.9
156.08444	4.5
156.10246	2.8
157.06790	2.5
158.10892	6.5
159.09137	8.1
161.13242	14.0
162.02202	4.3
162.09161	2.2
163.14825	6.9
165.05426	1.8
167.06982	1.3
171.11613	1.4
173.09222	27.2
173.13261	67.0
174.09492	4.2
174.13637	3.1
175.03979	1.7
175.14807	3.7
179.04916	2.0
179.14409	2.2
182.08148	2.4
187.08661	3.0
188.07039	1.7
189.12363	2.7
191.08588	1.8
191.14317	55.9
192.14667	3.1
197.12871	1.6
201.12292	2.0
203.10255	1.7
205.09750	1.5
207.11377	4.2
213.13898	2.0
215.19730	1.5
216.06888	1.8
219.08032	1.9
219.13332	2.2
226.18123	1.5
227.05457	1.4
233.16608	2.5
244.19016	6.1
258.16119	2.4
259.11118	25.8
276.10233	1.5
302.15057	2.2
331.13431	2.6
368.32294	1.3
370.86713	1.4
383.23392	1.8
389.18118	2.1
406.20493	2.5
407.23322	2.8
428.41272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2589
Annotation	Leuconine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05036	1.2
57.03433	0.3
57.05810	0.5
58.06604	0.6
59.09607	0.2
67.05500	0.8
69.07058	0.4
70.06594	4.0
71.29885	0.4
71.44284	0.2
72.08157	100.0
73.08486	1.4
74.06065	0.2
77.03976	0.2
79.05505	0.8
81.03436	0.3
81.07085	1.0
82.06580	0.4
84.08155	2.5
85.02904	0.3
86.09717	2.0
91.05469	1.5
93.07056	1.4
93.20014	0.2
93.65752	0.2
94.06553	0.3
95.04978	2.4
95.08582	1.0
96.08146	0.5
97.06541	0.3
98.09707	0.2
100.07616	0.5
100.11272	0.3
101.08336	0.2
102.09217	1.0
105.03373	1.1
105.07064	0.5
107.04942	0.2
107.08582	0.4
108.08106	0.3
109.06542	0.2
109.08947	0.3
110.07163	0.4
110.09707	0.5
111.04462	0.3
111.08077	0.3
113.04862	0.2
114.09174	0.7
119.08597	0.6
120.08103	0.8
121.06503	0.2
121.10152	0.2
122.09683	0.3
123.04434	10.6
124.04773	0.4
124.11236	2.9
128.10703	0.4
129.06927	0.2
129.10234	1.1
131.08588	0.2
133.10153	0.4
137.05972	0.2
143.08601	0.3
145.10103	0.3
149.09671	0.3
149.44740	0.2
152.41605	0.2
165.05540	0.5
171.08072	0.2
182.15393	0.3
189.09059	0.2
189.54361	0.2
223.15701	0.2
264.68381	0.2
304.15118	0.2
370.23862	0.8
388.20416	0.3
388.24863	3.6
389.25165	0.4
405.67184	0.2
406.25867	48.2
407.21060	0.4
407.26172	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
57.03433	2.2
57.07083	1.1
58.06587	1.6
65.03944	0.8
66.60888	0.6
67.05512	3.0
68.33110	0.6
69.07059	2.1
69.71662	2.2
70.06594	3.5
71.04984	0.9
71.07367	1.1
72.08154	100.0
73.08497	1.6
78.12057	0.6
79.05501	2.2
80.24435	0.6
81.07060	3.2
83.04984	2.0
83.08628	0.8
84.08144	1.2
86.09710	2.4
90.05543	0.9
91.05479	32.4
92.05801	0.6
93.07041	2.2
95.04951	0.8
95.08606	4.2
97.06537	1.8
105.07047	4.7
107.08603	1.1
108.37523	0.6
109.10148	1.5
117.07005	6.4
119.08586	1.4
121.06465	0.7
121.10133	1.0
124.11245	2.5
129.07050	1.3
131.08563	6.0
133.10168	0.8
137.05978	1.9
143.08554	1.3
145.08957	0.6
145.10101	1.5
152.05586	0.6
157.10092	1.0
170.85927	0.7
185.13303	0.8
192.37509	0.7
193.05032	0.7
215.15332	1.0
225.97482	0.6
299.23831	0.8
300.29037	0.9
323.40424	0.8
342.11978	0.6
370.30954	2.0
388.32159	18.1
389.32654	2.2
406.33185	70.3
407.14725	0.7
407.24475	1.8
407.33487	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	407.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.3
56.96553	0.6
58.00719	0.5
58.19500	0.4
58.99859	5.4
59.73182	0.5
66.57624	0.5
66.93204	0.4
69.03428	0.7
69.22034	1.1
69.22438	2.7
70.06586	6.2
70.34798	0.6
72.08162	0.7
74.06057	0.7
75.25847	0.5
77.00901	1.7
84.04490	1.2
84.08150	3.4
84.35605	0.5
85.01402	1.7
86.00714	0.5
86.09698	1.6
95.01936	0.6
95.06068	0.6
97.02906	1.1
97.11795	0.5
99.02943	4.7
101.00871	7.1
103.02462	5.2
104.05276	0.9
109.01422	1.8
109.06571	0.9
110.07146	2.4
112.08736	0.7
113.83898	0.5
116.07117	0.5
117.03990	30.0
118.04065	1.2
119.01916	28.0
120.02129	1.0
121.03487	2.1
123.05566	0.6
125.00831	0.8
127.02407	12.3
128.02495	0.9
128.06985	0.7
129.03937	0.7
129.10197	1.5
131.01900	1.1
132.10309	0.5
133.03395	0.6
135.05032	20.8
136.05132	1.7
136.06113	1.3
136.07671	0.5
137.02962	9.3
141.03915	1.0
143.01907	6.4
143.05542	0.9
145.03456	100.0
146.03554	5.5
147.01396	2.4
147.05029	0.9
147.48225	0.5
153.00368	0.7
155.01884	0.7
157.07091	4.3
158.09270	0.7
159.05029	8.6
159.06314	0.7
160.05229	0.6
161.02943	7.2
161.06628	0.9
163.04515	30.0
164.04675	1.7
165.02505	1.0
167.05531	2.2
168.05072	0.8
169.03461	2.0
169.07124	1.8
171.01350	6.4
171.05087	4.0
172.99304	0.7
173.02893	0.7
175.08171	5.6
175.11916	0.8
177.06059	1.4
183.05084	3.2
185.03006	2.1
185.06589	20.1
186.06778	1.5
187.04506	7.6
187.08113	0.9
188.04651	0.7
189.02441	13.6
189.06085	2.5
190.02582	0.8
193.03423	0.8
195.05029	18.0
196.05176	1.4
197.02977	1.7
201.06067	9.9
202.06320	0.7
203.03967	0.9
203.07635	5.2
205.01958	1.2
205.05537	2.5
207.03526	6.4
207.07108	0.7
207.64748	0.6
211.04478	9.0
212.04491	0.7
213.02531	2.8
213.06070	31.9
214.06354	3.0
215.00475	0.7
215.03996	7.0
221.02855	1.4
221.04915	1.0
227.04021	3.9
229.05554	8.2
230.05673	0.8
231.03581	2.9
231.07173	2.9
233.01471	1.6
235.11908	0.7
236.07678	0.9
237.02505	2.2
239.03995	13.8
240.04128	1.3
240.99734	0.6
241.01833	2.7
245.04961	1.1
247.06650	2.4
250.99109	1.4
251.02443	2.2
255.03566	4.2
257.05063	17.1
258.05197	1.7
259.02966	2.3
265.02002	1.8
269.00262	1.2
273.04550	2.9
274.13245	0.7
275.02692	1.0
275.06128	1.8
283.03015	6.9
284.03296	0.9
291.05542	2.5
292.14035	0.7
301.04025	10.0
303.02145	2.5
319.05045	1.8
327.02048	2.9
337.50311	0.6
345.03046	3.4
352.99945	0.8
365.02255	1.5
371.00955	4.7
389.02017	6.4
390.02515	1.2
407.03244	2.5
407.11371	0.9
407.17197	0.5
407.20291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.3
56.96568	55.1
57.03419	0.9
61.73930	0.6
69.02155	2.9
69.02589	2.9
70.06600	8.1
71.95257	2.1
72.08139	4.1
72.28088	0.6
72.96018	1.8
74.06067	1.6
81.03399	1.0
84.04489	3.0
84.08145	10.0
84.96037	1.4
85.02882	1.6
85.08469	0.8
86.09708	4.8
96.04459	0.8
96.56650	0.7
97.02863	0.8
97.99191	1.0
98.06061	1.1
98.97582	17.8
101.10778	0.9
110.07182	3.2
110.97566	4.9
116.07076	1.4
116.98637	7.0
120.08152	1.0
123.96188	0.6
126.52413	0.7
127.08662	1.5
128.98611	4.8
129.10223	5.1
130.10611	0.8
134.99664	1.2
136.07570	1.2
136.99065	1.9
138.05405	0.7
139.00662	6.5
146.99655	2.0
155.00165	6.8
156.07666	0.7
157.01732	13.4
157.32397	0.7
158.99702	3.3
159.98665	0.7
163.03893	0.9
164.98601	9.7
166.05316	1.2
166.08580	0.8
168.99075	0.7
170.99644	2.1
173.01236	12.3
175.02786	30.7
177.00693	1.9
182.99660	43.9
183.99979	1.1
189.00710	3.0
191.02303	3.5
193.03868	13.7
201.00714	100.0
202.01042	1.2
203.04028	1.2
217.03786	0.9
219.01775	94.0
220.02124	2.0
224.02350	1.3
226.98729	1.2
237.02766	6.4
242.03366	1.3
243.01782	68.2
244.02180	1.8
244.99660	9.6
245.09302	1.9
255.01701	3.7
261.00058	1.5
261.02844	31.1
262.03259	1.8
263.00745	8.6
263.09280	0.9
273.02817	12.0
274.12619	0.8
284.04517	1.6
285.02957	1.3
287.00732	16.6
287.03641	0.6
287.09296	0.8
291.03845	2.2
303.03909	4.0
305.01895	3.6
317.01825	4.2
336.97687	1.5
345.04932	0.9
347.02957	2.4
363.06009	3.2
364.94482	0.8
380.96539	1.1
391.41287	0.7
407.04984	4.0
407.15369	1.6
407.20099	1.6
408.22873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	57.8
69.87111	0.5
70.06599	2.2
70.66265	1.4
71.95271	2.1
72.08163	0.7
72.96043	2.6
74.97631	0.7
84.04501	0.6
84.08147	2.1
84.96043	1.3
86.09719	0.6
98.97580	19.1
110.06116	0.8
110.97575	6.2
116.98622	4.9
119.01962	0.7
120.99638	0.8
128.98586	4.8
129.10257	1.1
134.99666	0.9
136.03922	0.6
136.07652	0.9
136.99138	2.1
139.00681	6.9
143.01897	0.5
146.99623	2.1
155.00148	8.2
157.01727	18.2
158.99666	2.8
164.98584	10.1
165.98901	0.6
170.99704	3.1
173.01224	11.3
175.02792	31.7
177.00670	1.5
182.99654	53.7
184.00005	1.1
189.00700	3.7
191.02252	1.5
193.03844	12.2
194.04309	0.5
201.00710	100.0
202.00995	4.0
207.66711	0.5
217.03767	0.9
219.01762	86.1
220.02075	1.9
224.02347	1.3
225.00674	1.0
226.98651	1.8
229.03951	0.6
237.02849	6.0
242.03380	1.0
243.01768	62.1
244.02083	2.0
244.99680	12.8
245.09212	1.5
255.01729	4.5
261.02835	31.5
263.00751	10.2
263.09122	0.5
268.99710	0.7
273.02805	13.8
284.04288	1.7
285.02805	1.0
287.00723	21.5
291.03894	3.1
298.60400	0.6
299.00784	1.7
303.03732	1.7
305.01886	4.0
315.04099	0.7
317.01846	4.7
347.02722	2.1
363.05939	2.7
377.15765	0.6
407.04791	4.5
407.09433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1522
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.96559	3.1
69.07066	1.2
69.75004	2.2
70.06592	7.0
83.65514	0.6
84.08139	1.1
86.01054	0.8
86.09699	1.6
96.04493	1.4
98.06050	1.0
108.02200	0.7
108.53327	0.7
110.02430	0.9
110.06100	0.7
120.08090	2.0
126.05499	1.8
128.52478	0.7
144.06538	0.9
149.06546	1.0
166.08644	1.1
202.09332	0.9
213.12437	1.3
220.10373	1.7
221.86035	0.7
232.10257	0.9
244.00447	1.5
259.99783	1.7
260.09796	3.2
275.11093	1.0
278.11096	1.6
324.15460	1.3
357.54443	0.7
377.17322	1.5
407.06516	4.8
407.15216	100.0
408.15601	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	407.2197
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
57.01236	13.8
61.51449	16.9
69.85953	66.5
74.49424	14.6
94.99442	15.5
98.97601	37.9
187.90962	18.7
311.00964	16.7
389.16281	28.2
407.21875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2197
Annotation	Lakoochin A
Peak:m/z	Relative Intensity
64.51788	12.1
69.05857	100.0
77.39109	10.1
82.43607	10.5
83.81594	11.8
133.09964	11.7
141.28935	11.5
173.96776	11.5
179.04221	10.9
179.92776	12.4
407.21753	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2289
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.00353	0.9
52.24689	0.8
55.05515	0.9
56.05033	4.8
69.01505	2.1
69.01917	4.7
69.07069	11.0
70.06601	5.5
72.08154	6.6
83.06100	41.8
84.04501	50.3
84.08146	9.8
85.04820	1.3
86.09705	73.2
87.10030	1.9
91.05498	2.4
93.07076	1.3
96.04498	1.5
101.07129	7.5
103.05463	2.9
107.05012	1.1
112.04004	0.9
113.07157	1.1
114.87708	0.8
120.08102	100.0
121.08449	2.6
124.11257	1.0
129.06598	24.5
129.10234	7.0
131.11841	1.1
132.02924	0.9
132.10193	10.3
141.06625	1.2
149.05956	1.5
152.10689	5.8
157.13400	1.4
166.08633	41.0
167.08975	0.9
169.13307	4.6
173.25209	0.9
177.10268	1.1
185.12848	2.2
186.09149	5.7
189.12344	1.7
191.11855	1.8
196.14452	36.2
197.12875	20.9
197.14671	1.5
198.13269	0.9
203.14177	1.0
205.09694	1.3
213.04832	0.9
214.13466	1.5
214.15491	20.2
219.11322	2.0
223.10707	1.9
224.13934	13.4
225.12337	3.3
225.14284	0.9
230.12912	8.1
231.11272	8.0
242.15015	9.3
248.13954	3.2
258.12418	3.6
276.13385	2.1
279.17068	2.7
294.14877	0.8
389.21805	17.2
390.21747	2.6
407.16708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05030	1.6
62.41262	0.3
69.07059	1.3
70.06599	1.6
71.30215	0.3
72.08162	1.6
82.06593	0.3
83.06103	16.5
84.04504	16.7
84.08144	4.1
86.09706	24.9
87.10042	0.5
91.05476	1.2
93.07058	0.6
94.07417	0.3
95.04980	0.3
96.04503	0.5
101.07147	3.1
102.05522	0.9
103.05469	0.9
110.06030	0.5
110.07137	0.6
110.26856	0.3
112.03953	0.3
113.07116	0.5
120.08105	36.5
121.08456	1.1
124.11192	0.3
127.18127	0.3
129.06618	3.9
129.10239	3.8
131.04953	0.4
132.10204	5.5
136.07590	2.4
141.06575	1.1
142.84679	0.3
152.10651	1.7
166.08643	10.9
169.13388	0.8
177.10272	0.4
186.09152	3.7
191.11821	0.5
196.14471	7.4
197.12856	5.3
197.14644	0.5
203.11829	0.6
203.13885	0.3
214.15494	3.5
215.13907	1.1
215.15732	0.3
224.13927	3.3
225.12346	1.0
225.14331	0.3
230.12891	3.8
231.09151	0.5
231.11276	4.1
231.13409	0.4
233.16400	0.4
242.15057	1.9
243.13446	0.5
248.13907	1.8
249.12343	0.4
249.16107	0.5
258.12357	1.8
259.10785	0.5
276.13461	1.3
279.17050	0.9
334.23425	0.3
371.21198	0.4
389.21777	7.0
390.21912	0.5
407.16754	100.0
408.17065	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	407.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39216	0.4
55.01869	0.5
55.05495	0.8
56.05038	0.4
57.03421	0.5
58.02954	1.1
58.06594	1.4
60.04507	0.9
61.02889	0.5
68.05045	0.7
69.03429	2.5
69.07070	3.1
70.02927	0.6
70.06582	1.6
70.60651	1.0
70.61024	0.9
71.04976	0.5
72.04517	8.9
72.08153	4.0
81.03419	2.4
81.07047	1.0
83.04984	0.8
84.04493	0.5
84.08133	2.4
85.02903	6.0
86.06043	1.5
86.09706	51.4
87.10026	1.1
88.04000	0.5
91.05473	1.1
93.07058	0.5
95.04974	1.8
96.04508	1.3
97.02891	2.1
98.06025	0.5
98.09708	1.5
99.04460	0.9
100.11256	5.3
108.04484	1.4
109.02879	0.8
110.06003	0.8
110.09673	1.5
111.04431	0.5
112.03944	0.5
112.11256	0.6
117.07012	0.6
120.08098	1.7
122.05994	0.8
126.05570	0.4
127.03941	1.4
128.10716	100.0
129.05386	0.4
129.10239	1.3
129.11064	3.2
132.10204	3.0
135.08028	1.0
136.07591	1.1
138.05496	0.7
143.08594	0.6
145.10121	0.5
146.11768	0.5
152.10704	0.6
156.06569	1.3
164.10713	5.4
168.10316	0.5
174.11249	4.2
186.00464	0.5
194.11777	1.6
199.18051	0.7
208.45430	0.5
210.11266	2.2
211.72691	0.4
212.12872	2.8
223.18138	0.8
230.13890	4.5
230.76593	0.5
241.19089	4.8
242.19339	0.5
245.18591	13.3
246.18979	0.6
269.18610	2.2
287.19644	40.2
288.19989	2.3
311.19669	0.5
323.19681	11.6
324.20035	0.8
325.21268	0.9
353.20779	1.8
371.21390	2.4
389.22708	0.5
407.26013	0.5
408.27600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39216	0.4
55.01869	0.5
55.05495	0.8
56.05038	0.4
57.03421	0.5
58.02954	1.1
58.06594	1.4
60.04507	0.9
61.02889	0.5
68.05045	0.7
69.03429	2.5
69.07070	3.1
70.02927	0.6
70.06582	1.6
70.60651	1.0
70.61024	0.9
71.04976	0.5
72.04517	8.9
72.08153	4.0
81.03419	2.4
81.07047	1.0
83.04984	0.8
84.04493	0.5
84.08133	2.4
85.02903	6.0
86.06043	1.5
86.09706	51.4
87.10026	1.1
88.04000	0.5
91.05473	1.1
93.07058	0.5
95.04974	1.8
96.04508	1.3
97.02891	2.1
98.06025	0.5
98.09708	1.5
99.04460	0.9
100.11256	5.3
108.04484	1.4
109.02879	0.8
110.06003	0.8
110.09673	1.5
111.04431	0.5
112.03944	0.5
112.11256	0.6
117.07012	0.6
120.08098	1.7
122.05994	0.8
126.05570	0.4
127.03941	1.4
128.10716	100.0
129.05386	0.4
129.10239	1.3
129.11064	3.2
132.10204	3.0
135.08028	1.0
136.07591	1.1
138.05496	0.7
143.08594	0.6
145.10121	0.5
146.11768	0.5
152.10704	0.6
156.06569	1.3
164.10713	5.4
168.10316	0.5
174.11249	4.2
186.00464	0.5
194.11777	1.6
199.18051	0.7
208.45430	0.5
210.11266	2.2
211.72691	0.4
212.12872	2.8
223.18138	0.8
230.13890	4.5
230.76593	0.5
241.19089	4.8
242.19339	0.5
245.18591	13.3
246.18979	0.6
269.18610	2.2
287.19644	40.2
288.19989	2.3
311.19669	0.5
323.19681	11.6
324.20035	0.8
325.21268	0.9
353.20779	1.8
371.21390	2.4
389.22708	0.5
407.26013	0.5
408.27600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12814	0.8
69.54878	1.9
69.55265	1.2
70.06598	1.8
70.90688	0.7
74.11418	0.7
138.81149	0.7
201.97736	0.8
213.21323	0.7
300.29105	1.0
301.29465	1.3
406.35135	1.3
407.24020	100.0
408.24414	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07073	1.9
65.25940	1.3
67.05511	1.8
69.07057	1.2
70.06594	3.7
71.29732	1.1
72.08140	1.3
79.05494	2.2
81.07059	0.9
83.04984	1.7
84.08141	3.3
86.09716	1.5
88.07617	2.1
93.07070	1.7
95.04979	1.1
95.08636	1.2
105.07032	1.2
107.08601	1.5
109.06540	0.9
109.65213	1.0
111.28559	0.9
119.08607	1.5
121.10102	1.1
129.10236	2.7
132.10194	1.3
133.10144	1.3
134.99794	1.0
146.11781	0.9
159.08073	1.1
163.03880	3.3
170.07510	1.1
203.58568	1.1
206.06992	1.1
207.06557	2.6
228.23257	2.4
256.26492	1.4
301.29446	2.2
345.31830	2.2
406.35281	1.1
407.24020	100.0
407.35367	9.9
408.23636	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	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
57.03439	5.2
57.07079	6.9
67.05515	2.5
69.07054	1.7
70.55994	0.9
70.56318	0.8
71.08634	4.3
81.07067	3.2
83.08612	2.2
85.10181	2.1
89.06013	0.8
95.08619	4.0
97.10182	0.6
99.95690	0.5
109.10172	2.0
113.00019	97.9
123.11706	0.8
137.22589	0.5
169.02618	100.0
170.02928	1.4
195.12378	0.6
239.23697	0.8
244.25728	0.5
407.21912	0.9
433.07275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.0
57.07092	3.3
65.03947	3.8
67.05516	8.1
69.11668	3.1
69.40428	5.4
69.40834	9.7
70.06604	7.3
72.08159	9.5
72.70610	2.8
79.05499	11.0
79.70890	2.6
81.03436	2.7
81.07048	16.2
83.04978	3.3
83.93530	2.3
84.08151	12.9
84.96833	2.3
85.06560	5.4
85.36351	2.3
86.09703	3.7
91.05496	20.8
93.07043	16.6
94.16634	2.7
95.04966	27.1
95.08627	7.6
98.22630	4.3
103.05449	3.0
105.07028	26.7
107.08598	12.4
109.06529	12.8
109.10176	5.6
115.05449	2.6
117.07043	6.4
119.08576	21.9
120.08127	8.8
121.06552	9.0
121.10176	8.2
123.08117	8.7
128.06197	5.9
129.07010	7.0
129.10268	13.4
131.08597	9.2
133.06532	3.8
133.10101	12.1
135.08090	7.6
142.07797	5.4
143.08629	9.5
145.10092	17.5
147.08035	6.3
149.09674	4.8
151.07576	12.5
153.07097	2.6
155.08591	6.0
156.09373	7.3
157.10101	15.6
159.08083	6.1
159.11736	9.5
161.09673	6.0
165.07092	2.6
165.09128	6.3
167.08650	4.8
169.10152	6.3
171.11713	9.2
173.09653	3.5
173.13229	5.1
177.09052	2.9
180.09364	2.9
181.10191	7.2
182.10858	2.9
183.11752	6.1
185.09694	4.3
185.13339	4.9
187.11227	4.8
189.12753	3.9
193.10240	3.4
195.11610	3.3
199.11263	7.7
199.14890	4.6
203.14445	2.7
207.11815	5.3
207.13853	4.4
209.13260	2.9
221.15442	6.5
225.12790	3.5
227.14481	3.9
357.80869	2.7
407.25763	100.0
408.26288	9.6
434.37430	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2654
Annotation	Leu Lys Phe
Peak:m/z	Relative Intensity
55.05513	0.6
56.05035	3.3
58.99574	0.3
60.04535	0.3
61.01160	0.3
67.05506	0.8
68.05006	0.2
69.07072	3.8
70.06593	12.4
71.06931	0.4
72.08157	2.3
73.08485	0.2
76.02215	0.8
79.05478	0.2
81.07049	0.5
82.06586	0.5
82.07410	0.4
84.04503	2.9
84.08144	81.3
85.06565	0.3
85.08486	1.7
86.09706	22.1
87.10053	0.4
91.05465	0.5
95.08563	0.3
98.09675	0.4
98.23441	0.4
99.09225	0.5
101.07124	0.3
101.10775	2.9
102.05545	0.3
102.09150	0.4
103.05422	0.3
104.05343	0.3
105.07065	0.3
110.06034	0.6
110.07140	0.3
111.09223	0.8
112.07588	0.3
113.07137	0.2
116.01694	0.3
116.07098	0.3
120.08105	14.4
121.08485	0.3
124.07575	0.4
127.08675	4.0
129.10239	100.0
130.04991	2.7
130.08646	1.8
130.09540	0.3
130.10631	2.1
131.11758	0.3
132.10199	0.3
143.08229	0.2
144.08095	0.3
147.07643	3.4
147.11285	2.0
155.08148	2.6
156.08475	0.4
156.10201	0.2
158.79236	0.2
159.09207	0.5
166.08633	0.6
173.09193	3.3
174.09361	0.3
176.51836	0.2
182.09732	0.2
197.16490	2.1
207.11195	0.6
225.15984	1.0
228.74857	0.2
233.16490	2.9
242.16148	0.6
242.18633	10.4
243.19032	0.5
259.11118	1.1
260.11331	1.3
260.19711	1.3
261.10724	0.2
277.15439	1.6
294.18115	8.2
294.21436	0.5
295.18372	0.6
302.14896	0.3
304.16425	0.6
389.18124	0.3
389.25299	0.6
407.26761	5.3
408.26749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.4
55.05513	55.5
57.07081	76.7
67.05505	31.5
69.07068	96.4
71.08630	43.1
73.80142	5.1
79.05492	26.5
81.07067	76.6
83.01347	10.0
83.08628	56.3
85.10183	22.1
89.06052	13.6
91.05482	12.5
93.07058	25.1
95.08619	71.3
97.06523	10.4
97.10160	31.0
99.04475	10.7
105.07048	14.8
107.05009	6.0
107.08590	28.3
109.06516	27.7
109.10172	43.0
111.04404	26.4
111.08095	8.0
111.11731	23.4
113.00040	6.4
119.08586	20.2
121.06506	5.8
121.10124	29.5
123.04427	5.6
123.08076	20.6
123.11726	26.1
125.05997	72.6
125.13266	6.5
131.37038	4.8
133.08629	9.4
133.10130	18.9
135.11711	16.2
137.05991	100.0
137.09569	11.1
137.13274	13.5
139.07516	12.8
141.05486	17.8
145.10289	5.3
147.11702	8.5
149.13353	9.0
151.07576	20.7
151.11189	10.9
153.09192	9.3
161.09627	12.2
161.13336	9.3
163.11159	7.6
165.09091	39.6
165.12830	8.6
167.10721	10.4
169.02634	7.5
173.13295	6.5
175.11221	11.2
176.95674	5.9
179.10696	40.3
179.14304	7.1
181.12291	15.9
183.10191	5.5
189.16383	5.6
193.12271	30.0
193.15837	5.7
195.12285	6.7
195.13858	13.7
197.11835	16.1
207.13876	25.2
221.15392	26.2
223.16885	6.2
225.14998	8.2
235.16972	26.6
237.18555	6.8
239.16512	8.0
249.18457	29.9
251.20181	9.0
253.18076	11.1
263.20126	30.7
267.19580	19.3
277.21640	31.8
291.23221	20.2
295.22839	12.0
305.24841	12.2
309.24341	6.5
319.26297	16.7
323.25909	7.9
333.27994	16.2
347.33139	7.4
385.27530	5.5
389.34039	66.5
390.34433	7.9
407.35220	25.6
434.64056	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	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.7
56.05038	1.7
58.99295	1.2
58.99584	17.9
58.99876	1.1
61.01159	1.1
63.28283	0.8
69.46800	3.0
70.06592	2.7
72.08163	1.3
73.01160	1.2
74.75879	0.6
76.02233	7.3
76.04006	4.2
78.01777	0.8
79.05510	0.9
80.91510	0.7
81.07055	1.8
83.06091	1.7
83.08621	42.2
84.04508	21.6
84.08112	0.9
84.08949	0.8
85.01140	1.4
86.09704	3.8
86.99052	14.5
88.02230	4.1
99.05585	1.5
101.09647	2.1
106.13921	0.7
107.08589	1.4
115.05767	1.2
116.01676	57.6
117.01994	1.2
120.08102	4.0
129.06580	2.4
129.07361	2.6
130.04999	4.4
141.07265	1.8
142.03185	4.6
144.01149	31.1
145.06093	1.2
159.08398	44.1
160.08743	1.1
162.02202	100.0
163.02496	2.2
170.02667	0.9
176.11063	2.9
187.07884	1.8
219.11247	0.8
233.16518	0.9
244.10030	2.0
245.05807	0.9
261.10886	0.8
262.11096	45.3
263.11398	1.8
279.13724	14.4
280.13934	0.9
295.13098	0.8
300.69946	0.8
333.14764	9.6
390.16907	1.0
391.15457	0.9
408.17892	3.5
408.29559	1.5
409.10953	3.7
409.18024	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	408.2131
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
55.05513	1.2
56.05028	3.6
69.07073	10.9
70.06599	6.5
72.00330	0.7
72.08151	4.7
79.05499	1.4
81.03426	0.9
83.06075	0.9
83.08624	2.4
84.04509	36.8
84.08148	8.1
84.08956	1.2
84.25857	0.8
85.02905	1.8
85.08461	1.0
86.09708	97.0
87.09496	0.7
87.10036	3.6
91.05482	2.2
93.07072	0.9
96.04531	0.9
99.04489	0.7
100.66925	0.7
102.05543	17.4
103.05476	3.4
107.04991	0.9
108.75896	0.7
110.07169	0.8
119.04965	1.1
120.08108	100.0
121.02909	1.7
121.08441	5.0
127.03921	1.3
129.06602	11.8
129.10233	4.5
131.04938	1.2
132.10207	14.2
141.06590	0.9
148.06061	1.4
149.06009	0.8
152.10707	1.2
156.78711	0.7
166.08647	28.7
167.09007	0.9
170.11769	5.0
172.73729	0.6
186.09131	6.9
189.01694	0.9
197.12880	13.5
199.18182	0.8
204.10204	1.6
207.02863	1.0
215.13924	36.5
216.14240	2.4
225.12280	3.5
231.11292	11.9
231.13446	1.0
233.16525	5.1
243.13411	9.3
244.89963	0.7
249.12331	9.4
259.10852	1.7
259.80780	0.8
277.11871	3.8
279.17099	2.0
295.05829	1.3
307.05972	1.2
325.07025	2.3
335.09100	1.7
339.08426	0.8
349.07010	1.1
363.08636	1.9
391.08194	4.7
408.17056	1.3
409.09232	4.7
409.18329	87.4
422.75009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2127
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
56.05026	1.7
57.09866	0.5
58.25690	0.4
59.79103	0.4
62.56257	0.4
64.33119	0.5
65.47536	0.4
70.06601	0.8
70.88069	1.2
72.08161	1.4
84.04504	21.1
84.08132	0.5
86.09708	42.8
87.10040	1.2
91.05460	2.5
93.07057	1.4
100.30910	0.4
102.05540	7.6
103.05473	2.9
119.07340	1.1
120.08107	100.0
121.02882	1.0
121.08442	4.6
132.10208	34.4
133.10565	1.0
136.07570	2.3
144.08095	0.6
158.09599	1.5
166.08624	1.0
168.08104	0.6
184.07541	0.5
186.09142	12.7
187.09552	0.6
203.11884	0.7
204.10202	4.4
215.13966	0.8
217.59210	0.4
231.11290	25.5
232.11604	1.7
249.12363	24.4
249.15157	0.7
249.16212	1.0
250.12669	1.7
259.10806	4.8
277.11792	3.2
279.17062	4.6
295.06387	0.7
307.05960	0.8
321.07874	0.8
322.47510	0.6
325.06964	1.7
335.09048	0.9
346.08319	0.5
349.06985	0.5
363.08261	1.3
363.19638	0.5
382.35010	0.6
391.08127	3.7
409.09225	1.9
409.18234	0.9
428.77426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.213
Annotation	Ile Phe Glu
Peak:m/z	Relative Intensity
55.05511	1.2
56.05026	1.2
58.99588	0.7
60.04526	0.8
67.05488	0.5
69.03447	0.5
69.07066	5.0
70.06590	8.0
71.06929	1.1
72.08156	5.5
73.37053	0.4
74.06100	0.8
79.05493	0.5
81.07061	0.7
83.08611	0.9
84.04504	5.8
84.08147	6.3
85.02909	0.5
85.08489	1.1
86.09708	77.1
87.05611	0.8
87.10029	1.8
91.05486	1.1
93.07040	0.9
102.05517	2.0
103.05476	3.0
110.07150	0.5
112.08751	0.5
113.07233	0.4
116.01693	1.2
116.07086	0.6
116.27438	0.3
118.01325	0.6
119.04950	1.0
120.08107	100.0
121.08454	4.9
124.07594	1.0
127.08704	0.5
128.09029	0.4
129.10265	5.7
130.05025	2.7
130.10609	1.5
136.07567	3.2
143.08212	0.4
143.11815	0.5
144.01160	0.6
144.06628	0.6
146.06033	0.7
147.04424	0.9
147.07668	0.5
148.06053	6.3
159.08379	0.5
159.11284	0.6
161.02937	0.5
161.09100	0.5
162.02217	2.1
166.05399	0.7
168.69917	0.4
185.04218	3.0
187.10678	0.7
189.12410	0.6
201.12248	0.4
205.16989	0.4
233.16489	31.2
234.16838	2.0
243.18919	0.5
245.05112	0.9
247.05823	1.8
250.11775	0.6
261.10623	0.8
261.15997	9.7
262.11115	0.7
267.90295	0.4
277.11844	0.4
283.81744	0.4
287.77524	0.5
295.12885	17.6
296.13226	1.4
349.07626	0.7
367.08923	0.7
391.08014	0.7
408.29459	1.0
409.11105	8.8
409.18057	3.1
409.23953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05515	4.8
57.03441	3.6
59.04967	1.7
61.02926	1.7
65.99804	1.3
67.05496	10.1
67.23955	1.4
69.03432	7.0
69.07079	7.7
69.31311	6.7
70.06588	4.9
72.08153	22.6
73.14754	1.3
77.84153	1.4
79.05477	7.2
81.03413	4.5
81.07057	43.8
81.44567	1.3
83.04993	3.9
83.08624	4.4
84.08150	6.6
85.02908	16.4
85.06537	3.4
85.08477	1.8
86.09702	3.2
91.05476	12.6
93.07032	7.8
95.04966	2.9
95.08630	8.7
97.02898	5.2
97.06545	1.8
98.22676	2.6
98.65424	1.5
99.08107	2.0
102.09190	2.8
105.03370	2.6
105.07031	21.3
106.07386	1.4
107.08582	8.5
109.06497	2.6
113.22463	1.5
117.07030	1.9
119.08585	14.1
120.08109	3.3
120.08944	1.3
121.08530	1.9
121.10131	15.2
123.08088	2.8
123.11723	21.7
123.75746	1.7
127.03893	2.1
127.07559	3.1
129.10240	4.1
133.10127	2.0
137.13268	1.9
145.04961	4.7
147.11688	61.2
148.12059	1.7
157.10226	1.8
165.12740	47.6
166.13144	2.0
175.11055	1.6
180.08688	3.9
183.13783	13.9
190.35158	1.4
193.12259	6.0
195.24225	1.2
211.13266	10.4
229.14343	100.0
230.14726	5.4
372.25528	2.6
390.26373	5.4
408.27408	9.4
409.09503	1.5
409.17807	8.8
409.22681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05512	0.8
56.05033	1.1
57.03444	0.6
58.06605	1.0
60.84338	0.5
67.05503	1.0
69.07092	1.3
70.06590	4.3
71.29866	0.7
72.08159	8.3
75.18886	0.6
79.05488	0.7
81.07029	1.0
83.05027	0.7
83.06123	0.8
84.04503	9.9
84.08163	3.6
84.33023	0.5
85.02935	0.6
85.06558	3.2
86.09705	76.3
87.10018	3.9
91.05482	15.6
93.07043	1.6
95.04972	9.1
95.08605	1.0
101.07156	0.5
102.05549	4.6
102.09175	1.3
103.05452	2.0
105.07024	0.7
107.04975	0.7
107.08647	0.7
110.07142	0.8
117.06956	0.7
118.06544	0.7
119.04942	11.4
119.08592	0.5
120.08105	54.1
121.02861	0.7
121.06526	0.7
121.08452	3.7
122.09594	0.6
128.10667	0.5
129.10240	2.7
132.10202	8.5
136.07573	100.0
137.07919	2.9
140.76683	0.5
147.11681	1.0
156.65208	0.6
166.08646	6.7
170.11739	0.8
182.12988	0.6
185.16486	1.9
186.09145	3.8
196.09718	1.4
197.12813	2.5
204.13672	0.9
211.13235	1.9
215.13885	4.5
225.12297	0.8
228.06544	0.9
229.14262	0.7
231.11261	4.8
243.13391	3.8
245.18604	6.0
249.12320	10.0
249.15976	46.0
250.12648	0.8
250.16383	2.5
259.10721	0.8
277.11877	4.1
277.15439	11.5
278.15747	1.2
279.16898	1.3
280.17017	0.6
295.16391	1.2
354.72305	0.5
372.25366	1.0
390.22052	0.7
390.27048	2.7
408.27966	3.6
409.09167	0.7
409.18640	2.6
409.23654	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	408.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05512	0.8
56.05033	1.1
57.03444	0.6
58.06605	1.0
60.84338	0.5
67.05503	1.0
69.07092	1.3
70.06590	4.3
71.29866	0.7
72.08159	8.3
75.18886	0.6
79.05488	0.7
81.07029	1.0
83.05027	0.7
83.06123	0.8
84.04503	9.9
84.08163	3.6
84.33023	0.5
85.02935	0.6
85.06558	3.2
86.09705	76.3
87.10018	3.9
91.05482	15.6
93.07043	1.6
95.04972	9.1
95.08605	1.0
101.07156	0.5
102.05549	4.6
102.09175	1.3
103.05452	2.0
105.07024	0.7
107.04975	0.7
107.08647	0.7
110.07142	0.8
117.06956	0.7
118.06544	0.7
119.04942	11.4
119.08592	0.5
120.08105	54.1
121.02861	0.7
121.06526	0.7
121.08452	3.7
122.09594	0.6
128.10667	0.5
129.10240	2.7
132.10202	8.5
136.07573	100.0
137.07919	2.9
140.76683	0.5
147.11681	1.0
156.65208	0.6
166.08646	6.7
170.11739	0.8
182.12988	0.6
185.16486	1.9
186.09145	3.8
196.09718	1.4
197.12813	2.5
204.13672	0.9
211.13235	1.9
215.13885	4.5
225.12297	0.8
228.06544	0.9
229.14262	0.7
231.11261	4.8
243.13391	3.8
245.18604	6.0
249.12320	10.0
249.15976	46.0
250.12648	0.8
250.16383	2.5
259.10721	0.8
277.11877	4.1
277.15439	11.5
278.15747	1.2
279.16898	1.3
280.17017	0.6
295.16391	1.2
354.72305	0.5
372.25366	1.0
390.22052	0.7
390.27048	2.7
408.27966	3.6
409.09167	0.7
409.18640	2.6
409.23654	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	408.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38006	0.6
50.79864	0.7
53.03968	0.7
53.27742	0.6
55.05509	2.1
56.05033	9.1
57.03439	1.1
58.06316	1.2
58.06599	20.2
59.04995	1.6
61.64129	0.7
62.06084	0.9
64.26611	0.7
67.05492	3.5
68.02016	0.7
69.03432	1.1
69.07053	1.8
70.06583	1.8
71.04990	1.3
71.30315	0.9
71.30683	0.8
72.08156	41.6
73.08489	0.8
75.80036	0.7
76.83935	0.6
78.54960	0.6
79.05502	2.7
81.07056	3.7
83.04980	2.0
83.08618	1.2
84.07697	0.5
84.08145	11.2
87.06834	3.1
88.55939	0.7
90.61792	0.6
91.05482	11.6
93.07034	4.5
95.04977	3.4
95.08612	3.4
97.06517	2.5
100.07594	1.3
102.09177	100.0
103.09554	1.7
105.07024	4.8
107.08604	3.5
109.06508	1.4
109.10136	1.1
113.09660	0.7
115.05482	0.7
117.07033	5.2
119.08594	3.1
121.06502	1.4
121.10151	2.2
123.08092	1.5
123.11650	0.7
125.09640	1.4
128.06154	0.8
128.58417	0.6
129.07004	2.3
131.08533	3.6
133.06494	1.0
133.10123	1.5
135.08134	1.1
135.11710	0.9
143.08543	3.0
144.26138	0.7
145.06476	0.9
145.10127	3.1
147.08090	0.9
147.11743	1.3
149.09601	1.6
155.08501	1.0
156.09135	0.9
157.10162	3.6
159.08037	2.3
159.11670	1.4
163.03888	0.8
167.10716	1.7
169.10165	1.4
171.11696	1.4
173.09604	1.2
173.13141	0.7
173.48575	0.7
185.13345	1.1
197.13219	1.1
207.06673	0.8
220.14822	1.0
223.14888	0.9
233.15421	0.9
257.04477	1.4
285.18475	1.6
286.19019	0.8
328.20602	0.9
376.28442	41.5
377.28894	3.8
381.83313	0.7
408.24771	1.1
409.25922	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
69.03529	2.1
69.03962	1.5
69.07070	0.8
70.06597	2.8
70.41714	0.4
71.04999	0.6
72.08154	9.5
78.38333	0.6
79.05495	0.9
81.07046	1.6
82.86353	0.4
83.08608	0.5
84.04552	0.4
84.07704	0.5
84.08128	2.3
84.26424	0.5
86.09685	1.0
91.05475	2.6
93.07039	1.7
95.04937	1.1
95.08615	1.4
98.22629	0.9
102.09206	0.5
105.03413	0.7
105.07041	1.6
106.25430	0.4
106.26234	0.5
107.08619	1.0
109.06558	0.7
109.10165	0.8
110.07166	0.7
117.07002	0.5
118.04137	0.5
119.04959	1.2
119.08595	1.0
120.08134	1.0
120.47263	0.5
121.02880	3.3
121.10117	1.0
123.04465	0.6
123.11687	0.4
125.02351	0.9
129.10248	1.6
131.08543	0.9
133.10153	0.6
135.11678	0.5
143.08537	0.4
150.03099	0.5
153.01822	10.9
159.11707	0.7
171.02904	1.1
173.13284	0.6
175.11880	0.6
181.01289	6.0
181.02495	0.5
192.76262	0.5
193.01282	0.6
195.02892	3.1
197.00774	0.5
199.02385	9.2
211.06047	1.3
223.97264	0.5
229.04770	0.6
239.07004	1.1
241.05029	0.5
243.06581	2.1
247.13130	2.6
257.04459	0.6
268.07205	0.5
269.04480	0.7
270.05212	1.3
271.05994	18.1
272.06393	0.9
285.07599	2.3
286.08267	1.2
295.05896	0.5
296.06772	1.5
297.03940	0.6
297.07297	1.2
298.04837	1.0
298.08011	0.5
299.05499	79.2
300.05911	5.5
301.10727	5.3
313.07089	6.2
314.07816	12.1
315.08325	1.3
327.08600	1.4
328.09387	0.9
329.10181	100.0
330.10495	7.4
364.28491	1.5
390.26428	1.5
391.08084	0.6
397.02463	0.4
408.27423	2.1
409.05856	13.4
409.17783	4.7
409.22491	0.8
409.31293	2.9
410.06192	1.3
410.29111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05501	1.7
56.05024	1.2
60.04528	0.9
65.03938	0.4
67.05494	0.7
69.03437	0.6
69.07072	1.4
70.02947	0.8
70.06588	10.2
70.56123	1.0
71.29636	0.4
72.08157	10.4
73.80272	0.4
74.06052	0.7
78.23447	0.6
81.03416	0.8
81.07059	0.8
81.52778	0.5
82.06575	0.7
83.01336	0.7
84.04493	1.6
84.08139	8.1
85.02926	0.8
85.04025	1.8
85.08466	0.8
85.65829	0.5
86.09708	13.4
87.05599	1.2
87.10040	1.0
88.03993	1.1
91.05479	3.5
93.07085	1.0
95.06037	0.5
97.02882	0.7
98.02426	1.2
99.09251	0.5
102.03744	0.5
103.05471	1.1
104.05346	0.6
105.07028	0.8
107.04942	1.5
109.02869	0.9
110.07156	1.8
113.05901	0.5
115.05349	0.4
115.08706	0.6
119.04945	4.7
120.08108	11.0
121.02868	9.8
121.06484	1.5
121.08426	1.0
123.04424	0.6
127.08681	1.6
129.10239	6.0
130.10602	1.0
132.10223	1.3
133.06520	0.6
133.37939	0.4
135.06773	0.5
136.07571	16.5
137.05972	1.2
141.10199	1.7
143.04871	0.5
143.08301	0.6
143.11810	1.2
145.02855	1.8
145.06516	0.5
145.07899	0.7
146.05980	3.3
147.04381	1.3
149.06030	0.8
159.04379	0.7
159.11380	1.0
160.07588	1.1
163.03911	0.8
169.09697	1.2
169.13324	0.8
173.07413	1.8
175.03876	0.8
177.01804	1.3
177.05428	1.1
179.03436	1.0
179.07086	0.8
185.04213	9.1
185.05817	0.4
186.12383	5.9
187.03873	0.6
188.07077	1.2
189.01820	1.5
189.05380	0.6
189.12366	0.7
191.03384	0.9
193.09752	2.4
195.02931	2.2
196.09639	0.8
197.12836	0.7
199.03923	1.0
199.18024	1.1
203.03415	2.8
203.05051	0.6
205.04895	0.6
206.08211	0.6
207.02879	1.6
207.06425	0.5
213.11183	1.0
214.11848	1.5
217.04880	2.3
219.03024	0.6
219.07988	0.6
221.04492	0.9
221.09328	0.9
225.12209	0.5
227.03325	1.1
233.09273	0.9
234.16904	0.7
245.04362	1.3
247.05765	74.3
248.06149	3.2
250.11884	2.1
251.10191	4.6
267.06638	0.6
268.07220	1.1
271.06894	0.6
273.03900	1.0
279.06473	1.1
279.09607	0.9
280.06894	0.5
283.05972	0.9
285.08533	0.6
289.08276	0.9
292.07312	0.6
293.08087	1.2
294.05194	1.4
295.06015	9.9
296.06503	2.2
297.07547	1.8
306.08838	1.3
306.49771	0.5
307.05960	4.3
307.09189	1.1
308.06580	1.3
309.07529	3.0
313.07758	0.6
315.09738	0.6
318.08875	0.5
320.06784	1.6
321.07602	5.3
322.08130	0.7
325.07056	13.6
326.07388	0.9
329.07840	0.6
331.09152	1.1
333.07529	1.6
334.08322	1.6
335.09113	8.3
336.26578	0.4
337.06912	2.7
339.08582	2.1
344.06854	0.8
345.07526	3.3
349.06976	5.3
349.10345	0.8
351.08551	0.8
361.06924	0.6
363.08578	8.9
367.07983	0.6
373.07034	1.5
379.07938	1.3
381.09674	0.7
391.08084	22.1
392.08508	1.5
409.10269	28.7
409.18219	100.0
409.23871	7.9
410.10077	1.8
410.18524	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	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.05021	1.4
61.01147	0.5
69.01178	4.4
69.01590	1.2
69.03448	0.5
69.07068	1.0
69.73370	0.5
70.02950	1.0
70.06595	10.7
72.08154	7.0
74.06091	0.6
79.05449	0.6
84.04505	2.2
84.08143	10.5
85.02895	0.9
85.04034	4.1
85.08485	1.3
86.09710	11.6
87.05593	2.1
87.10014	1.1
88.03987	0.9
91.05505	3.1
98.02412	1.3
100.52399	0.5
101.07173	0.5
101.55821	0.5
102.39539	0.5
104.05294	0.9
107.04969	2.8
112.08746	0.6
119.04934	3.5
119.08590	0.6
120.08103	9.3
121.02868	2.1
121.06475	1.0
121.08403	1.2
127.08689	0.6
129.10239	6.8
130.05051	0.6
130.10565	1.2
132.10214	1.0
135.11504	0.5
136.07584	24.6
141.10168	0.6
145.06363	0.5
146.06001	6.9
147.04419	0.6
159.11508	0.9
160.07547	1.2
162.09045	0.5
166.08722	0.5
170.05983	0.6
175.10835	0.7
177.01886	0.6
180.06435	0.5
182.08107	0.6
185.04219	39.9
186.04553	0.9
188.07167	2.6
191.08203	0.9
201.12328	2.1
203.03400	0.8
203.05243	1.1
205.09761	0.6
207.06418	0.6
207.11404	0.7
215.11943	0.6
216.06665	0.6
217.13692	1.2
233.09312	2.6
233.16524	0.8
234.16946	0.8
242.19087	0.6
246.04964	0.9
246.48849	0.5
247.05788	28.0
247.13086	0.9
248.06096	1.0
250.11885	14.0
265.06714	0.7
278.11417	2.4
287.15701	1.0
288.08362	0.7
289.09259	0.5
295.06039	2.0
295.16409	1.2
309.07422	0.7
320.06781	0.7
325.07150	3.4
335.09018	1.1
337.07037	0.8
338.20309	0.5
349.07205	0.9
363.08618	1.8
375.15414	1.2
391.08014	5.0
391.19528	0.8
409.10968	99.1
409.18246	100.0
410.11496	6.6
410.18353	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67020	2.4
69.67397	1.8
70.06591	4.9
72.08149	2.7
84.08147	1.6
86.09699	4.6
97.74515	1.3
98.79371	1.2
117.69946	1.3
120.08086	2.0
129.10146	1.4
136.07536	3.0
179.30991	1.3
185.04224	10.6
189.12143	1.5
198.06140	1.4
200.14000	2.0
246.05011	3.2
247.05919	7.4
323.90515	1.4
354.99683	1.4
378.08908	2.0
409.11057	100.0
409.23627	2.8
410.11499	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	409.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01868	0.5
55.05273	0.4
55.05504	2.8
57.07068	1.4
59.53802	0.4
62.66874	0.4
65.03928	0.9
65.24501	0.4
66.04706	0.7
67.05503	2.7
69.03439	0.6
69.07062	1.2
70.06566	0.4
79.05492	3.5
81.07053	4.1
83.04967	0.9
83.08613	1.0
84.04521	0.6
85.06522	0.7
89.03911	4.0
90.04713	0.5
91.04966	0.7
91.05486	8.7
93.07046	5.3
95.04959	4.4
95.08610	4.3
97.06523	1.3
98.22551	0.8
101.01984	0.7
103.05453	1.5
105.07033	12.6
106.07322	0.5
107.08604	3.0
109.06508	2.1
109.10141	1.2
114.75786	0.4
115.05471	1.2
116.04975	20.3
117.05804	4.1
117.07007	1.2
118.06548	4.3
119.04935	1.6
119.08587	6.6
120.08053	0.4
121.06473	1.5
121.10172	2.1
123.08078	2.0
123.11720	0.6
125.02034	0.5
129.06995	0.9
130.05003	1.1
130.06535	3.7
131.07317	17.6
131.08548	2.8
132.04468	3.6
132.08109	11.0
133.08441	0.5
133.10129	2.2
133.42146	0.4
134.06017	7.5
135.08044	1.6
135.11658	0.7
137.09604	1.2
137.13185	0.6
141.06909	0.5
142.07780	1.2
143.08545	1.7
144.09299	0.7
145.02603	40.2
145.10146	4.2
146.02969	1.4
146.06013	9.2
147.06721	1.4
147.08032	2.1
147.11665	3.1
149.09605	1.5
151.07480	2.8
155.08592	0.9
156.09294	0.7
157.10110	2.7
159.08006	1.1
159.11674	1.5
161.04723	2.8
161.09555	0.8
161.13271	0.7
162.09145	0.7
163.03731	1.0
163.11150	0.7
165.09129	2.9
168.09390	0.5
169.10132	1.7
171.11671	1.2
172.85092	0.4
173.03221	8.9
173.09424	0.6
173.13257	1.2
174.03546	0.6
174.05522	0.4
175.06210	0.8
175.11195	1.8
178.08649	0.6
183.11659	1.6
185.13177	0.6
186.05261	100.0
187.05582	4.1
187.11191	0.7
201.12724	1.0
203.14313	1.7
206.08133	22.5
207.08429	1.0
207.13817	0.8
209.13297	0.9
211.14899	0.7
221.15378	5.9
229.15813	0.8
234.16193	0.6
257.04395	1.0
329.21167	0.8
391.26224	0.7
409.09009	0.7
409.27335	4.6
409.32425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.3
55.68173	2.4
57.02463	2.6
57.03423	5.8
61.02934	10.5
61.03442	2.9
66.93127	3.1
69.03436	18.9
70.06584	24.7
70.07236	6.3
71.05022	3.2
72.08160	8.9
73.02914	4.6
80.05030	7.7
81.03437	8.5
83.01325	18.7
84.04515	9.0
84.08157	13.0
85.02907	100.0
86.09718	9.0
87.00836	7.8
87.04507	4.7
91.03963	3.5
97.02895	31.2
99.04449	3.7
103.05469	2.8
106.02911	3.5
109.02871	8.1
110.02434	4.0
111.00779	13.4
114.05548	10.5
115.03947	10.1
117.22639	2.7
120.04476	13.8
120.08109	25.1
125.02344	32.0
127.03933	12.0
129.01869	3.6
129.10248	5.0
130.06496	4.6
133.04897	3.3
134.02385	3.6
136.04024	4.8
136.07596	11.6
138.01866	4.2
138.07185	2.9
143.03424	11.9
145.04976	22.2
150.05499	4.8
152.03464	12.6
153.01822	13.3
157.05034	15.0
162.01883	25.2
166.07248	43.3
169.05051	5.7
171.02875	67.6
172.93253	3.0
174.33897	2.6
176.03448	12.4
180.02983	10.0
185.04492	17.3
189.03998	9.2
194.04478	62.3
198.03973	67.6
199.04520	3.0
203.05513	30.9
212.03694	5.5
212.05550	47.8
213.12398	7.9
216.05020	18.6
230.06564	48.7
234.12343	5.4
310.17636	4.2
409.15051	6.9
409.21762	8.0
409.26706	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	409.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.6
56.05846	1.3
60.34188	1.1
63.40894	1.3
67.05497	1.7
69.07051	1.6
70.06599	1.8
71.29913	1.8
71.57072	1.1
72.08147	5.4
75.25796	1.1
79.05487	3.2
80.96490	1.2
81.07069	2.3
83.04977	1.4
83.08615	2.9
84.08115	2.4
85.41738	1.3
91.05477	2.8
93.07040	2.4
95.04950	4.2
95.08601	3.4
100.07616	1.6
100.11256	9.7
105.07048	4.4
107.04945	2.8
107.08607	2.9
108.93666	1.1
111.04448	1.4
112.07603	1.6
119.08578	2.2
120.08116	1.3
121.10162	1.4
126.09200	1.3
133.10126	1.7
145.10118	1.7
159.11790	1.6
182.15393	9.3
183.15764	2.1
210.14914	5.8
211.15210	2.9
213.12764	1.3
248.19148	1.7
257.04495	1.7
309.21671	2.4
408.32141	2.1
409.16223	100.0
409.27969	2.5
409.32098	3.5
410.16354	6.9
410.29135	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.6
56.05045	0.7
65.03941	0.8
67.05510	0.5
68.99792	0.4
69.03436	0.8
69.07085	0.6
70.06597	7.9
70.97578	0.7
72.08159	2.3
79.05486	0.4
81.03429	0.7
83.01385	0.4
84.04525	0.7
84.08145	3.5
85.02917	1.2
86.09709	9.8
87.09519	0.4
87.10020	2.3
91.05469	1.8
93.03422	1.0
93.07053	0.9
95.05005	0.6
97.02927	0.9
99.99155	0.5
103.05438	0.6
105.07046	0.5
107.04961	1.6
109.02883	1.5
110.07166	1.0
111.04453	0.8
115.05466	0.6
116.07130	0.5
118.06855	1.3
119.04945	3.6
120.08108	3.8
121.02873	14.9
121.06506	2.1
121.08462	0.7
122.03175	0.6
127.03946	0.6
129.10226	2.6
130.06543	0.8
131.04932	0.7
135.04453	1.1
136.07603	3.5
143.04893	0.5
145.02817	2.1
146.05913	0.3
147.04411	1.1
149.06003	0.7
151.03934	0.5
159.04347	0.5
159.09256	0.7
160.05096	0.4
161.02303	0.5
163.03978	0.9
165.01791	0.6
171.04471	0.6
175.03925	1.0
177.01830	2.6
177.05528	0.4
179.03401	1.2
187.03908	0.8
189.01875	1.8
189.05489	1.3
190.02457	0.4
191.03442	0.8
193.04945	0.5
195.02931	2.7
196.09682	0.6
199.03923	1.3
199.18118	2.0
200.18486	1.1
203.03377	4.6
203.05145	0.6
207.02837	2.1
211.03989	0.7
215.03345	0.4
217.04968	3.4
219.02905	0.7
220.15265	0.4
221.04399	0.9
225.12085	0.4
227.03435	1.2
227.17570	0.8
228.17973	0.6
229.04932	0.5
229.12001	0.6
231.02922	0.8
233.04381	0.5
235.05936	0.5
239.07100	0.5
245.04414	1.7
247.13029	1.9
249.03687	0.4
251.10225	0.7
253.80173	0.4
255.02890	0.8
267.06543	1.3
268.07358	1.8
273.03928	1.3
274.12332	0.5
277.08521	0.9
279.06534	0.9
280.06937	0.4
281.08038	1.1
283.05975	0.7
284.06848	0.5
291.06531	0.8
292.07318	2.0
293.08224	2.1
294.05124	3.1
295.06018	15.0
296.06613	2.8
296.16437	0.4
297.07568	2.9
305.08118	0.8
306.08844	1.6
307.06055	6.9
307.09607	1.3
308.06653	1.9
309.07571	3.9
313.07251	1.3
317.08017	1.2
318.08606	0.6
319.05923	1.4
319.09402	0.5
320.06757	3.8
321.07550	8.3
322.08170	0.9
323.05579	0.7
323.09161	0.8
325.07059	22.6
326.07404	2.5
329.08170	1.2
333.07547	3.4
334.08292	3.0
335.09109	12.8
336.06039	0.6
336.09592	0.7
337.07068	6.2
338.07571	0.7
338.20844	0.4
339.08636	3.1
345.07553	4.5
349.07050	7.2
350.07663	0.9
351.08688	1.1
353.10416	0.6
355.07928	0.5
361.07126	0.5
362.07806	0.7
363.08618	14.4
364.08868	1.5
365.06595	0.5
367.08163	1.2
373.07071	4.0
373.18991	0.6
374.07315	0.6
379.08069	1.7
381.09741	0.7
388.92102	0.4
391.08109	36.4
392.08325	4.8
409.09555	32.0
409.18250	100.0
410.09735	3.9
410.18570	8.7
410.24054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
56.16785	0.3
69.05261	3.6
69.67700	0.4
72.08151	0.7
84.08134	0.6
85.04035	0.5
86.09703	1.1
91.05453	0.6
93.03401	0.6
107.04956	0.6
109.02903	0.5
115.05439	0.7
116.54483	0.4
119.04937	2.2
120.08086	1.6
121.02085	0.8
121.02859	8.1
121.06509	0.7
121.08453	0.6
125.28483	0.4
135.04410	0.8
136.07556	2.7
145.02850	1.6
146.05959	0.8
147.04388	0.5
149.05904	0.5
155.85988	0.4
159.04416	0.7
171.04364	0.5
175.03865	0.8
177.01848	1.6
179.03389	0.8
185.04204	0.5
188.06975	0.6
189.01846	1.5
189.05470	0.5
191.03368	0.5
193.04890	0.5
195.02907	1.5
202.02591	0.6
203.03378	2.7
207.02931	1.5
211.04083	0.5
217.04913	2.0
221.04465	0.5
227.03308	0.8
245.04503	0.7
247.05754	2.0
247.13058	1.2
251.07500	0.6
251.10323	1.8
267.06522	0.7
268.07236	1.1
273.03918	0.7
279.06369	0.8
281.08096	0.7
292.07324	0.8
293.08041	1.1
294.05209	1.3
295.05988	8.9
296.06555	1.2
297.07571	1.6
306.08810	0.6
307.06125	3.9
307.09360	0.6
308.06531	0.8
309.07562	2.2
319.06137	0.9
320.06717	1.7
321.07599	4.4
322.08231	0.5
323.05573	0.6
323.09186	0.7
325.07043	12.4
325.10776	0.8
326.07401	0.9
329.08112	0.8
333.07629	1.8
334.08344	1.8
335.09094	6.7
336.06052	0.5
337.07013	2.9
339.08591	2.0
345.07501	2.1
349.07059	5.0
351.08575	1.3
363.08609	8.6
364.08527	0.7
367.08237	0.9
373.06958	1.8
379.08023	0.9
381.10168	0.5
391.08090	18.9
392.08438	2.2
409.09836	17.7
409.18283	100.0
410.09869	2.2
410.18628	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07847	0.2
69.42289	1.1
70.06591	0.8
72.08167	0.2
78.20624	0.2
83.26823	0.2
84.04507	0.4
86.09709	1.4
87.10051	0.4
102.05545	0.3
102.95271	0.2
119.04977	0.3
120.08112	1.2
121.02876	0.8
121.08430	0.4
129.10309	0.2
132.90916	0.2
140.31517	0.2
166.08658	0.3
189.01918	0.3
215.13927	0.6
216.14275	0.3
221.04382	0.2
268.07510	0.3
283.92178	0.2
295.05994	0.7
307.05978	0.6
321.07574	0.6
325.06964	1.3
334.08353	0.2
335.09363	0.5
337.06995	0.5
339.08609	0.2
340.08813	0.2
345.07587	0.4
349.07104	0.6
363.08713	0.6
391.08026	2.2
392.08453	0.4
409.18317	100.0
410.09760	0.5
410.18652	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	1.7
71.30615	0.5
72.08141	1.2
81.07035	0.3
84.04489	0.3
84.08130	0.8
86.09675	0.6
93.07017	0.6
106.67783	0.4
109.02872	0.3
120.08121	2.4
121.02902	0.5
129.10204	0.6
146.05965	0.6
159.09238	0.4
188.07030	0.8
203.05240	0.7
207.92274	0.3
229.11986	0.5
247.09459	0.6
247.13139	2.4
330.29861	0.6
345.05490	0.4
347.59033	0.3
391.17346	0.3
409.18307	100.0
410.18555	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2196
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
51.65243	0.8
55.05493	1.0
57.03430	1.0
58.06608	1.6
59.05013	1.1
62.06074	2.7
67.05489	2.3
69.07048	1.3
69.60862	3.7
69.61272	1.2
72.08163	6.9
78.01060	0.8
79.05500	1.0
81.07054	2.6
81.71471	0.8
84.08136	1.2
88.31557	0.8
91.05499	5.2
93.07019	1.6
95.04979	2.2
95.08595	1.6
96.05294	1.1
101.06007	7.1
102.09174	1.0
102.78151	0.8
105.07033	2.0
107.08604	1.1
109.10115	1.2
117.06995	3.5
119.08584	1.3
121.06461	0.9
128.06317	0.8
131.08546	2.2
133.10083	1.4
143.08553	1.9
145.10147	1.2
157.10100	1.0
159.11649	1.4
164.21965	0.8
169.10138	0.9
173.09653	1.2
183.57269	0.8
185.13319	1.1
208.95763	0.8
242.58192	0.9
257.04318	2.5
264.23907	1.1
313.21625	0.8
383.58630	0.9
392.27661	1.6
408.77716	0.9
409.21811	100.0
410.22198	8.8
410.28653	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	409.2197
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
50.59840	0.1
51.27016	0.1
69.07061	0.2
70.06584	0.5
71.30433	0.2
72.08145	0.6
81.07059	0.4
84.08138	0.3
91.05482	0.3
91.73666	0.2
93.07094	0.2
95.08603	0.3
105.07017	0.2
107.08636	0.3
116.04208	0.2
119.08637	0.2
119.72852	0.2
120.08160	0.3
121.10188	0.2
131.08585	0.2
133.10179	0.2
156.96538	0.2
193.05002	0.4
335.18353	0.9
391.20871	0.4
409.21948	100.0
410.22260	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	409.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89663	37.9
69.96153	60.2
69.96476	99.5
80.94867	49.7
81.04093	43.5
93.38811	45.6
106.58499	46.1
119.08584	47.7
257.04535	100.0
335.18878	73.8
409.23355	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	22.0
58.87835	18.7
69.76669	86.9
70.02463	22.0
70.31679	21.5
73.36343	19.8
73.59643	19.1
80.94847	37.2
91.44880	21.8
148.90810	24.3
183.56239	20.8
202.42009	23.1
257.04459	41.1
257.28772	23.9
335.18823	38.6
373.16599	71.2
391.17249	31.1
409.25342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29114	49.1
80.94845	63.5
91.05522	57.7
95.08601	41.6
98.37679	39.4
98.60704	35.4
98.75829	39.9
105.07059	42.6
107.98903	42.7
117.25258	39.5
131.91202	37.0
146.78951	39.3
257.04507	100.0
391.17487	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05778	0.3
56.10976	0.3
56.53815	0.3
61.58407	0.3
69.50552	1.2
80.94841	0.4
98.23324	0.5
149.35628	0.3
168.38858	0.3
206.08597	0.3
232.86357	0.3
250.73627	0.3
267.46259	0.3
281.17203	0.4
296.51132	0.3
335.22067	0.3
408.32590	0.3
409.25601	100.0
410.25922	8.4
425.22256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40900	0.4
63.39949	0.3
70.43955	0.8
93.96143	0.4
160.92332	0.4
170.36549	0.4
409.25616	100.0
410.26031	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.8
53.03949	4.3
55.05513	19.2
57.03429	2.4
57.07074	7.6
59.05012	4.4
67.05504	21.5
69.03419	8.6
69.07065	8.6
69.18504	20.0
71.92517	2.1
79.05499	21.8
79.53668	2.1
80.38226	2.3
81.07066	32.3
83.04976	3.5
83.08602	3.6
85.06543	5.2
91.04981	2.4
91.05490	37.5
93.07049	49.5
95.04971	52.4
95.08608	28.0
97.06531	9.6
98.22652	5.8
103.05474	3.9
105.04503	2.4
105.07034	100.0
106.91870	2.2
107.08595	24.7
109.06526	11.3
109.10156	8.8
115.05460	4.3
116.06213	2.4
117.07007	15.3
119.08592	63.3
121.06486	14.0
121.10138	17.0
123.08064	20.7
125.05984	3.8
128.06197	7.3
129.07010	9.8
130.07813	5.1
131.08586	26.3
133.06448	4.5
133.10138	18.7
135.08066	13.2
135.11720	3.0
137.09608	11.5
141.06972	5.6
142.07785	14.5
143.08607	17.4
144.09306	2.7
145.06450	2.8
145.10121	37.6
147.08055	22.3
147.11717	39.8
149.09628	9.8
151.07558	23.0
153.09076	3.0
155.08546	7.5
156.09332	8.3
157.10123	26.7
159.08070	6.5
159.11681	13.4
161.09653	11.0
161.13301	5.3
163.11227	7.5
165.09122	42.8
167.08527	5.1
168.09334	3.9
169.10124	9.7
171.11699	7.9
173.09633	9.5
173.13295	6.4
175.11185	21.9
177.09091	4.5
178.09845	2.9
179.08444	2.8
181.12335	5.1
182.11005	3.0
183.11694	12.4
185.09657	2.5
185.13245	5.3
187.11211	4.6
187.14778	3.7
189.12769	8.2
193.10149	3.3
196.12431	3.0
197.13338	2.9
199.11067	4.3
201.12752	7.7
201.16350	3.1
203.14368	17.2
207.12061	2.6
207.13712	11.7
209.13332	4.4
209.15294	5.9
211.14740	5.2
215.14424	2.4
219.13808	4.9
221.15359	89.2
227.14445	2.9
229.15825	6.7
231.13760	2.6
233.15292	2.8
234.16154	12.6
281.18930	3.7
286.19189	4.7
287.20035	6.2
300.20743	3.0
325.21634	3.1
329.21063	7.0
343.18155	2.6
365.02655	2.2
391.26276	7.6
394.09363	2.2
409.27341	54.0
410.27542	4.9
429.53830	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35932	2.7
51.02361	3.3
53.03944	5.1
55.05505	19.0
57.07066	7.6
59.04985	4.0
67.05506	23.3
69.03423	8.8
69.07059	8.7
69.16678	20.1
79.05492	24.8
81.07050	36.3
83.04990	4.9
85.06541	5.0
91.05482	41.9
93.07043	60.8
95.04961	55.6
95.08598	31.4
97.06511	8.7
105.04543	4.0
105.07028	100.0
107.08601	27.6
109.06499	20.8
109.10129	8.7
117.07014	13.9
119.07774	5.4
119.08572	67.3
121.06513	21.9
121.10149	21.8
123.08081	20.6
128.06213	7.1
129.07013	9.1
130.07878	4.5
131.08549	24.9
133.06467	5.1
133.10129	22.0
135.08032	16.6
135.11665	3.5
137.09612	8.7
142.07773	13.3
143.08531	20.0
145.06454	3.6
145.10118	41.8
147.08067	19.3
147.11682	33.3
148.08846	3.7
149.09634	9.4
151.07549	24.5
153.06943	4.0
155.08501	10.7
156.09267	8.7
157.10135	24.1
159.08022	3.7
159.11693	15.0
161.09608	8.4
161.13283	5.4
163.11096	5.5
165.09117	37.3
167.08556	4.4
168.09337	3.9
169.10121	13.6
171.11702	12.9
173.09601	7.2
173.13347	5.1
175.11180	27.5
177.09077	3.2
181.10143	3.5
183.11714	14.2
185.13127	7.7
187.11189	4.9
187.14854	3.9
189.12770	8.7
195.11688	4.2
197.13297	5.3
201.12718	11.8
203.14288	16.2
207.11725	3.0
207.13782	8.8
211.14870	7.4
213.12769	3.6
215.14265	4.2
219.13997	3.5
221.15340	76.6
221.17464	4.9
222.15897	3.9
229.15836	6.2
231.13931	3.4
233.15463	3.3
234.16124	12.4
286.19333	4.1
287.19940	7.0
300.20581	4.2
300.54205	3.1
329.21146	6.4
409.12930	26.0
409.27344	42.5
410.13400	10.0
410.27603	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.01877	2.8
55.05513	20.9
57.07083	5.4
58.42802	2.3
59.05007	4.1
67.05503	17.5
69.03429	10.4
69.07069	6.0
69.11530	12.3
69.11958	9.8
79.05488	24.9
81.07059	32.5
83.04987	4.4
85.06536	2.7
91.05489	44.0
93.07040	51.9
95.04969	50.9
95.08607	28.1
97.06510	7.0
103.05418	4.8
105.07030	100.0
106.07308	3.2
107.08587	21.3
109.06492	13.4
109.10164	5.9
115.05499	2.6
117.07029	12.8
119.08575	60.1
121.06496	17.5
121.10136	13.3
123.08070	21.8
127.71624	2.4
128.06178	3.8
129.07028	9.3
130.07808	6.4
131.08575	19.9
132.08900	3.1
133.06525	2.8
133.10141	21.4
135.08069	14.3
135.11722	3.2
136.82152	2.4
136.94279	2.6
137.06001	3.2
137.09622	10.8
141.06920	4.5
142.07751	12.7
143.08588	15.4
144.09370	4.6
145.10147	32.3
147.08032	21.4
147.11682	34.0
149.09669	7.4
151.07541	24.2
155.08603	8.8
156.09390	5.7
157.10118	20.0
158.10756	2.8
159.08078	6.5
159.11713	14.3
161.09624	7.0
161.13228	5.9
163.11162	4.7
165.09122	36.2
167.08636	3.3
169.10086	9.2
170.28287	2.6
171.11636	12.4
173.09631	6.5
173.13271	7.1
175.11179	22.5
177.09128	5.7
181.10123	5.5
183.11740	11.4
185.13310	5.6
187.11230	6.4
189.12730	5.1
197.09552	2.8
197.13354	3.0
199.11166	3.1
201.12726	10.6
201.14496	2.7
201.16483	3.6
203.14293	15.7
207.11784	3.2
207.13812	6.9
209.13214	4.3
209.15199	3.4
211.14778	6.6
213.12886	3.8
219.13852	4.1
221.15344	78.0
222.15681	4.8
229.15971	4.7
231.13834	2.9
234.16162	11.8
240.45851	2.8
255.21146	2.4
287.20007	9.4
314.49524	3.4
329.21210	7.5
391.25949	3.4
409.27353	38.0
410.27609	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89674	2.2
53.03940	6.1
55.01850	3.4
55.05502	17.5
57.07075	15.7
59.04994	5.8
67.05492	23.2
69.03414	9.0
69.05769	10.6
69.06184	9.3
69.07053	4.8
71.08603	2.7
73.40173	2.3
79.05499	23.8
79.87607	1.9
81.07047	34.1
85.06544	5.1
89.06026	11.6
91.05479	47.7
93.07040	51.8
95.04965	49.5
95.08601	28.3
97.06521	9.8
103.05489	3.0
105.04546	2.4
105.07032	100.0
107.08608	26.9
109.06509	9.9
109.10165	7.8
115.05415	3.5
115.54099	2.2
117.07006	16.5
119.08580	60.8
121.06500	20.8
121.10139	11.3
123.08068	24.2
128.06197	5.9
129.06990	6.4
130.07768	4.2
131.08554	25.1
133.06432	5.9
133.08563	7.7
133.10144	21.8
134.33336	2.4
135.08054	20.3
135.11565	4.7
136.12100	2.8
137.05959	3.4
137.09587	14.8
141.06937	5.0
142.07726	13.3
143.08578	17.7
144.09308	6.2
145.10107	37.6
147.08035	21.0
147.11687	33.9
149.09604	8.5
151.07552	26.7
153.09053	4.8
155.08543	9.9
156.09328	9.1
157.10135	19.5
159.08075	3.6
159.11662	16.4
161.09592	8.9
161.13203	6.3
163.11189	6.1
165.09102	45.5
167.08539	3.1
168.09369	3.2
169.10091	11.1
170.10866	2.4
171.11713	9.1
173.09505	5.4
173.13261	6.4
175.11183	27.0
177.09113	4.5
181.10017	3.8
181.12263	2.5
183.11681	12.4
185.09662	2.8
185.13185	5.6
187.11188	7.7
187.14922	5.1
189.12752	7.6
195.11749	3.2
196.12334	3.2
197.13228	2.5
199.11151	4.2
201.12770	9.5
201.16286	3.8
203.14287	22.2
207.13791	10.5
209.13206	2.9
209.15297	2.4
211.14771	6.1
219.13831	6.7
221.15341	80.1
222.15736	5.2
223.14801	2.7
224.11809	2.8
229.15746	5.2
233.15353	2.8
234.16176	13.3
253.15849	2.9
286.19144	6.3
287.19998	8.1
300.20810	5.2
329.21069	7.0
391.26254	6.2
393.32053	4.6
409.27335	48.0
410.27554	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	4.5
55.01893	2.8
55.05512	20.7
56.94061	2.9
57.03434	3.2
57.07078	10.0
59.05003	4.5
67.05503	24.5
69.03423	12.2
69.07075	6.3
69.10303	4.6
69.10706	22.7
79.05484	26.5
81.07072	32.9
83.04992	8.8
91.05489	34.2
93.07047	59.8
95.04974	52.6
95.08607	32.3
97.06551	12.4
105.07031	100.0
107.04877	3.0
107.08610	30.3
109.06549	17.1
109.10160	10.1
115.05483	5.1
117.07026	15.2
119.08591	76.9
121.06516	25.7
121.10138	21.7
123.08087	27.5
125.05938	3.1
128.06203	5.5
129.06995	11.3
130.07817	5.3
131.08557	23.6
133.06535	3.6
133.10143	24.5
135.08078	14.4
135.77171	2.8
137.09631	12.4
141.07002	4.4
142.07767	15.6
143.08583	17.7
145.10133	40.0
147.08066	20.5
147.11681	41.6
149.09647	14.9
151.07565	29.1
155.08537	7.9
156.09381	5.4
157.10159	26.8
159.08058	8.6
159.11694	17.9
161.09621	14.4
161.13304	4.4
163.11168	8.1
165.09131	46.1
167.08598	4.9
168.09367	5.2
169.10126	18.5
170.10826	3.6
171.11693	11.2
173.09575	5.2
173.13240	8.3
175.11174	26.0
177.09145	6.8
178.09860	3.5
179.08638	4.2
181.10104	7.1
181.12381	4.6
183.11746	17.3
185.09639	3.4
185.13284	5.4
187.11198	7.2
187.14845	5.4
189.12759	11.0
192.11455	3.5
196.08878	3.2
196.12474	3.7
197.13245	6.0
198.27783	3.4
199.11119	5.3
201.12761	14.0
203.14296	20.2
207.13866	11.5
209.13362	6.1
209.15262	5.6
211.14787	8.4
213.12704	3.4
219.13808	5.4
221.13246	7.6
221.15343	69.8
222.15524	3.5
225.12465	3.6
229.15854	6.3
232.54318	3.5
234.16129	13.5
253.15900	4.2
286.19147	4.4
287.20105	8.2
299.20239	3.1
300.20737	5.0
329.20935	3.6
391.26462	11.3
409.27313	51.2
410.27771	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
53.59230	3.0
55.01854	2.7
55.05509	17.7
57.07077	6.7
67.05502	23.7
69.03419	5.5
69.07058	9.1
69.82198	10.0
76.73416	2.4
79.05494	26.3
80.05831	2.7
81.03464	3.2
81.07053	38.2
83.04987	8.4
83.08665	3.3
85.06548	3.4
91.05479	41.2
93.07041	49.1
94.07373	2.9
94.79072	2.5
95.04970	54.7
95.08610	34.7
97.06546	8.5
103.05410	3.3
105.07029	100.0
107.08606	27.8
109.06527	16.7
109.10146	15.4
111.08124	2.8
115.05428	3.3
117.07023	15.4
119.04975	3.4
119.08575	63.5
121.06507	16.8
121.10117	19.5
123.08075	22.7
123.11740	3.3
128.06248	5.1
129.07018	8.8
130.07764	3.6
131.08582	26.7
133.06505	7.4
133.10114	20.1
135.08128	15.1
135.09149	2.9
135.11714	6.0
137.05968	4.0
137.09630	9.8
141.07011	6.2
142.07774	14.5
143.08533	15.6
144.09302	5.9
145.06546	5.0
145.10126	41.3
146.10506	3.1
147.08023	23.0
147.11681	31.8
149.09645	8.8
151.07538	21.5
153.09099	3.7
155.08565	9.8
156.09309	5.8
157.10114	21.2
159.08029	6.8
159.11661	14.8
161.09642	9.9
161.13304	7.7
163.11197	7.5
165.09109	37.7
168.09309	5.5
169.10127	9.7
170.10774	4.4
171.11702	12.3
173.09627	5.5
173.13275	7.3
175.11240	21.7
177.09024	3.4
181.10071	6.1
183.11691	13.4
185.13379	5.0
187.11203	3.5
187.14879	5.4
189.12724	6.6
191.14351	3.0
195.11731	5.3
197.13255	3.9
201.12759	8.1
201.16455	3.6
203.14264	17.3
207.13861	7.3
209.13280	3.9
209.15408	5.0
211.14873	5.2
214.33777	2.7
215.14159	3.2
219.13831	3.2
221.13297	3.3
221.15344	69.9
222.15718	3.2
229.15788	5.4
233.15359	4.7
234.16156	11.5
257.04474	7.3
285.18402	2.9
286.19226	4.6
286.27426	2.7
287.20084	9.2
300.20724	4.7
329.21133	5.7
375.27023	4.8
391.26361	9.9
409.18658	3.1
409.27301	40.6
410.27847	2.9
412.47986	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03944	6.6
55.01889	3.4
55.05512	24.2
57.07067	7.8
59.74459	2.6
67.05507	20.0
69.03436	8.3
69.07063	15.9
71.08620	7.3
71.30385	3.7
79.05495	26.2
81.07064	38.5
83.04988	8.9
85.06553	4.8
89.06036	19.8
91.05473	43.8
91.05923	3.6
93.07050	56.6
95.04973	44.9
95.08600	21.8
96.05325	3.0
97.06564	10.7
103.05490	3.2
105.04515	2.8
105.07033	100.0
107.08593	32.7
109.06534	10.4
109.10189	12.0
115.05536	3.9
117.07027	13.5
119.08581	55.1
120.08920	3.0
121.06531	15.2
121.10145	49.4
123.08069	9.3
123.11697	3.8
125.06034	3.2
125.09630	4.5
128.06248	8.2
129.07048	9.8
130.07806	7.0
131.08568	25.8
133.06496	5.2
133.08601	7.6
133.10123	20.7
135.08081	9.9
135.11659	5.9
139.11221	4.0
141.07021	7.2
142.07788	13.4
143.08601	21.0
144.09290	4.7
145.06509	5.5
145.10121	44.9
147.08087	10.7
147.11668	35.4
149.09598	19.0
149.13318	3.2
151.07581	7.5
155.08580	12.3
155.10631	3.2
156.09311	6.3
157.10123	31.4
159.08121	9.8
159.11667	19.7
161.09639	9.8
163.11157	4.5
165.09152	8.4
166.07747	3.4
167.08630	4.6
167.09149	3.5
167.10681	63.7
168.11046	4.6
169.10176	11.1
171.11690	9.1
172.08855	3.5
173.09621	10.0
173.13315	8.3
175.11185	25.4
177.09045	3.6
179.08560	3.9
181.10107	8.0
181.58401	3.2
183.11690	11.2
185.13318	5.7
187.11179	18.0
189.12817	7.1
191.14360	4.3
193.10104	4.6
194.34998	3.1
195.11745	8.6
197.13266	7.7
199.11232	7.3
201.12723	7.5
203.14339	6.7
207.11784	4.1
207.13913	4.0
209.13264	5.8
211.14786	4.0
215.14372	5.4
219.13820	4.7
221.13506	5.1
221.15331	16.0
223.14796	5.0
227.22458	3.3
229.15919	4.2
231.13757	4.7
233.15343	8.0
234.16071	17.4
237.16422	3.6
241.16034	4.8
253.15829	4.3
286.19247	3.8
300.20755	5.1
307.20868	4.1
309.18539	4.0
364.11411	4.1
391.26367	9.7
409.22095	7.1
409.27219	50.4
410.27573	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01867	5.8
55.05507	7.1
57.03432	0.8
57.07058	1.7
60.04519	1.8
61.01151	17.3
67.05177	1.3
67.05506	15.7
69.07060	5.1
71.31002	1.0
72.04516	34.2
74.06059	1.0
78.03790	28.4
79.05067	1.4
79.05492	20.0
79.45679	0.9
81.07056	18.4
81.96595	0.9
83.04957	1.0
83.08595	2.9
84.08119	0.8
85.87971	0.9
86.06075	1.5
91.05489	10.1
93.07044	21.1
95.04969	3.0
95.08608	14.9
97.06544	1.7
97.10162	1.1
100.07671	1.1
101.25138	0.8
102.03770	45.3
103.02165	2.8
105.07018	8.9
107.08578	10.4
107.87594	0.8
109.06517	1.2
109.10122	5.3
114.03753	8.7
117.07030	1.5
119.08573	7.0
120.04797	6.7
121.10143	10.0
123.08039	1.5
123.11774	1.3
123.47375	0.8
129.06985	1.2
131.06393	19.2
131.08554	5.3
132.04785	25.3
133.10104	5.5
135.11684	6.1
137.09532	1.3
145.10147	4.6
147.11682	4.8
149.07437	100.0
149.13255	3.1
150.07779	2.5
151.07530	1.5
151.11137	1.3
154.12317	1.0
157.10092	1.1
159.11691	3.7
161.13248	3.0
163.11139	1.8
171.11710	1.5
173.13281	3.2
175.14818	1.3
177.12801	1.4
185.13301	1.6
187.14796	2.0
189.12717	1.7
189.16472	1.0
199.14714	1.5
203.14282	1.1
217.15829	1.5
243.21063	1.0
259.20557	1.3
261.22012	2.7
273.22055	1.2
279.20911	1.1
287.23474	1.7
290.24789	3.8
297.22104	2.4
302.24371	0.8
314.24780	5.0
314.27939	0.9
315.19681	1.6
315.23056	11.5
332.25815	28.4
333.26144	3.6
368.16583	1.2
409.28806	40.8
410.29108	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	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47248	1.4
53.03935	4.9
55.01869	10.5
55.05511	14.5
57.03432	5.1
57.07076	16.8
67.05508	6.8
69.07066	29.5
69.37650	8.3
69.60206	1.3
71.08626	11.7
79.05499	1.9
81.03416	12.6
81.07056	9.8
83.08612	22.4
85.10179	5.7
91.05477	1.5
93.07050	4.1
95.04941	1.5
95.08606	7.1
97.10167	13.2
99.04453	1.8
104.51456	1.2
104.57211	1.2
105.07043	3.1
107.08608	3.1
109.02876	31.0
109.10161	7.8
111.11735	7.2
113.00020	10.1
115.00448	3.8
115.03912	8.8
119.08592	3.3
121.06525	1.4
123.04451	3.1
123.08060	3.1
123.11668	2.1
125.13271	4.1
127.03916	100.0
128.04282	1.7
131.08537	1.9
133.10097	3.2
137.09573	1.4
139.14832	1.4
141.05478	6.2
141.62993	1.4
143.08585	1.4
145.10132	2.6
151.07561	2.1
151.14848	1.5
153.05481	1.4
155.07008	1.8
169.02573	6.7
169.08606	4.9
170.02968	2.9
171.03065	4.2
183.10147	12.5
195.10210	3.4
197.11713	7.1
209.11671	3.2
211.13347	5.1
223.13272	3.1
225.14783	4.4
237.14864	2.9
239.16438	5.9
251.16527	3.0
253.18039	8.5
257.04437	5.7
265.17929	5.5
267.19476	5.0
279.19589	4.6
281.20938	3.0
293.21109	3.3
295.22519	3.8
307.22943	2.2
321.24277	2.7
327.54782	1.4
335.25458	2.5
373.30762	1.8
391.32095	26.4
409.09079	3.8
409.33524	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.05511	18.0
55.30661	2.7
56.21884	2.9
57.07072	9.6
59.05009	3.1
64.33065	3.0
67.05513	36.4
69.07077	32.5
69.30929	18.2
71.05002	18.2
71.08634	3.3
77.03939	4.2
79.05494	29.1
81.07063	100.0
83.08632	14.3
85.06549	8.1
89.06067	3.8
91.05493	30.5
93.07047	94.4
95.08610	99.8
97.06519	3.0
97.10154	13.8
98.23315	6.5
105.07028	60.0
107.08590	74.7
108.08911	4.3
109.06514	7.8
109.10167	58.7
111.08109	14.9
111.11684	4.6
113.09666	8.6
117.07041	4.3
119.08591	81.8
121.10138	61.8
123.11713	26.8
131.08595	17.6
133.10123	33.0
135.11707	36.1
137.09578	5.7
137.13255	10.1
142.07788	4.8
143.08533	8.4
145.10139	29.4
147.11673	34.1
149.13263	59.8
151.14809	4.6
157.10091	17.2
159.11705	37.8
161.13277	36.1
163.14789	22.1
169.62386	3.0
171.11646	13.5
173.13264	29.3
175.14821	24.6
177.12822	5.2
177.16464	8.1
185.13251	7.2
187.14801	20.2
189.16382	25.6
191.14195	3.8
191.17934	9.8
199.14836	7.8
201.16386	12.1
203.17950	14.4
213.16417	12.6
215.17937	13.2
217.19518	38.5
227.17966	11.6
229.19582	11.4
231.21120	10.3
241.19632	7.9
243.20987	3.4
255.21178	8.9
257.22641	11.7
259.24222	10.6
261.05966	2.8
267.21066	5.1
269.22714	5.7
272.63516	3.3
283.24365	3.0
299.23633	3.0
309.25845	3.1
335.27390	3.2
351.30447	11.8
391.33209	14.8
403.84726	3.0
409.29990	5.1
409.34744	78.5
410.35083	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	410.1922
Annotation	Leu-Asp-Tyr
Peak:m/z	Relative Intensity
52.40731	0.5
52.49700	0.5
56.05017	1.4
60.76422	0.5
69.07062	2.2
70.02943	1.7
70.06587	21.1
70.49760	0.7
70.50089	1.4
71.06924	1.0
72.08167	3.9
73.02924	5.7
80.61555	0.5
82.06590	0.7
83.06090	0.7
84.04498	1.3
84.08140	5.8
85.04009	1.3
86.09703	68.7
87.05585	0.7
87.10033	3.2
88.03989	10.3
91.05478	4.9
93.63169	0.5
95.04922	0.9
96.04485	0.9
96.08121	3.4
98.02420	4.4
100.03964	5.3
105.09970	0.6
110.07146	1.9
111.15102	0.6
113.10778	3.8
114.05522	0.7
116.07069	1.1
117.03355	0.9
119.04954	5.5
120.08104	4.6
121.08426	1.2
123.04424	6.6
124.07592	0.6
126.05486	0.6
129.10216	2.8
130.06532	0.8
136.07570	27.1
137.07944	1.8
138.09137	5.0
141.10213	13.2
142.08621	1.8
145.02817	0.9
147.04414	2.6
150.89409	0.6
155.11763	1.7
156.10190	11.5
159.09219	1.1
165.05478	10.0
166.08662	1.4
177.05550	1.4
182.08116	19.2
183.08673	0.7
183.11285	7.6
184.09702	3.1
185.04190	1.6
186.04494	0.7
197.12883	1.7
199.10770	0.7
201.12338	100.0
202.12672	3.4
211.10762	0.9
212.09190	0.6
224.54468	0.7
225.67876	0.7
229.09647	1.1
229.11829	15.8
229.14124	0.8
289.99316	0.5
295.16336	1.2
298.13467	0.6
346.17587	1.4
350.07703	0.8
392.08163	0.9
410.11383	6.0
410.17914	2.8
410.23676	1.0
411.11865	0.7
411.22345	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	410.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18530	1.0
53.03946	2.3
55.01863	9.1
55.05521	1.4
56.02213	1.1
56.05030	2.1
58.86633	0.8
65.03941	2.9
68.99807	1.8
69.03432	1.4
70.02950	3.0
70.06590	10.2
71.29256	1.2
72.08149	5.0
79.05531	1.3
81.03420	1.6
81.07066	2.9
84.08139	4.3
85.02899	2.8
85.04033	17.3
86.09708	21.0
87.10043	2.8
88.03981	8.9
91.05480	15.3
92.05799	2.0
93.03413	3.2
97.02902	1.9
103.05434	1.1
107.04958	12.0
108.05283	1.6
109.02888	2.1
110.03182	1.0
110.07164	2.3
111.04437	1.2
115.05448	1.3
116.07083	1.9
119.04951	20.9
120.05275	3.7
120.08097	7.8
121.02871	36.8
121.03783	2.1
121.06503	3.6
121.08464	1.7
122.03219	15.2
122.06825	1.8
127.03962	1.0
129.10257	3.1
131.04904	2.7
132.10204	3.5
135.04433	3.4
135.06793	11.9
136.07578	89.6
137.07979	1.8
145.02890	4.0
146.03221	3.4
146.06003	32.5
147.04436	2.2
147.06354	1.9
148.04799	1.3
150.06317	1.2
159.04456	1.4
160.04886	1.2
160.07584	10.5
161.02351	1.1
161.05919	1.1
163.03893	1.2
165.01770	1.2
166.02260	0.9
172.04749	1.0
173.05945	1.9
175.03943	2.2
176.04271	1.3
177.01828	3.7
178.02229	2.1
179.03430	3.2
180.03758	2.0
187.03874	2.4
188.04268	2.4
188.07028	10.2
189.01839	4.7
189.05460	1.3
190.02292	4.1
190.05902	2.2
191.03401	1.4
191.08157	6.5
192.03845	1.8
195.02905	6.7
196.03232	3.6
197.04457	1.0
200.04283	1.9
202.02681	1.4
203.03348	6.4
204.03764	7.4
206.08144	11.3
207.02914	3.1
208.03262	2.3
209.04396	1.1
216.06606	1.9
217.04895	5.9
218.05301	6.6
220.03206	1.8
221.04324	1.9
222.04762	1.8
227.03447	1.6
228.03761	2.9
232.03305	1.5
233.09239	6.6
234.05052	1.2
234.07666	2.6
234.12192	1.4
245.04408	2.4
246.04851	3.5
251.10274	94.7
252.08202	1.3
252.10559	5.8
261.08655	1.7
264.07260	1.4
267.06519	1.8
268.06989	4.2
269.07681	3.2
273.03891	1.3
274.04315	1.4
278.09125	1.7
279.09732	9.5
280.07050	3.5
280.09909	1.5
281.07697	1.1
282.08374	1.5
284.06516	2.7
290.08981	1.8
291.06378	1.0
292.07056	2.0
293.07501	4.8
294.05429	2.1
294.08475	3.9
295.05893	18.1
295.16626	2.6
296.06360	36.7
297.07034	8.7
298.07968	8.3
300.08795	1.0
306.08554	3.1
307.05984	3.8
307.09299	4.7
308.06439	19.5
308.09958	3.2
309.07126	8.9
310.07828	9.9
311.08621	2.0
314.07541	2.1
318.08603	2.9
320.06366	5.3
321.07217	13.1
322.07919	21.5
323.08435	2.3
324.05820	2.6
324.09500	1.8
325.06958	11.8
326.07385	52.5
327.07657	3.9
330.08420	2.7
332.06342	1.4
333.07526	1.4
334.07965	8.9
335.08817	10.2
336.09421	28.6
337.06830	4.4
338.07382	16.9
339.08408	3.5
340.08981	10.0
345.07379	1.3
346.07877	13.4
348.05588	1.2
348.09586	1.8
349.06866	4.6
350.07401	25.1
351.08047	2.0
352.08960	5.3
362.07455	1.7
363.08493	3.0
364.08917	44.5
365.09348	3.2
368.08530	1.9
374.07425	10.0
375.07541	1.4
380.08398	6.0
392.08444	100.0
393.08771	9.5
410.09525	88.1
410.17950	14.6
410.24203	2.0
411.09665	8.1
411.19769	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18530	1.0
53.03946	2.3
55.01863	9.1
55.05521	1.4
56.02213	1.1
56.05030	2.1
58.86633	0.8
65.03941	2.9
68.99807	1.8
69.03432	1.4
70.02950	3.0
70.06590	10.2
71.29256	1.2
72.08149	5.0
79.05531	1.3
81.03420	1.6
81.07066	2.9
84.08139	4.3
85.02899	2.8
85.04033	17.3
86.09708	21.0
87.10043	2.8
88.03981	8.9
91.05480	15.3
92.05799	2.0
93.03413	3.2
97.02902	1.9
103.05434	1.1
107.04958	12.0
108.05283	1.6
109.02888	2.1
110.03182	1.0
110.07164	2.3
111.04437	1.2
115.05448	1.3
116.07083	1.9
119.04951	20.9
120.05275	3.7
120.08097	7.8
121.02871	36.8
121.03783	2.1
121.06503	3.6
121.08464	1.7
122.03219	15.2
122.06825	1.8
127.03962	1.0
129.10257	3.1
131.04904	2.7
132.10204	3.5
135.04433	3.4
135.06793	11.9
136.07578	89.6
137.07979	1.8
145.02890	4.0
146.03221	3.4
146.06003	32.5
147.04436	2.2
147.06354	1.9
148.04799	1.3
150.06317	1.2
159.04456	1.4
160.04886	1.2
160.07584	10.5
161.02351	1.1
161.05919	1.1
163.03893	1.2
165.01770	1.2
166.02260	0.9
172.04749	1.0
173.05945	1.9
175.03943	2.2
176.04271	1.3
177.01828	3.7
178.02229	2.1
179.03430	3.2
180.03758	2.0
187.03874	2.4
188.04268	2.4
188.07028	10.2
189.01839	4.7
189.05460	1.3
190.02292	4.1
190.05902	2.2
191.03401	1.4
191.08157	6.5
192.03845	1.8
195.02905	6.7
196.03232	3.6
197.04457	1.0
200.04283	1.9
202.02681	1.4
203.03348	6.4
204.03764	7.4
206.08144	11.3
207.02914	3.1
208.03262	2.3
209.04396	1.1
216.06606	1.9
217.04895	5.9
218.05301	6.6
220.03206	1.8
221.04324	1.9
222.04762	1.8
227.03447	1.6
228.03761	2.9
232.03305	1.5
233.09239	6.6
234.05052	1.2
234.07666	2.6
234.12192	1.4
245.04408	2.4
246.04851	3.5
251.10274	94.7
252.08202	1.3
252.10559	5.8
261.08655	1.7
264.07260	1.4
267.06519	1.8
268.06989	4.2
269.07681	3.2
273.03891	1.3
274.04315	1.4
278.09125	1.7
279.09732	9.5
280.07050	3.5
280.09909	1.5
281.07697	1.1
282.08374	1.5
284.06516	2.7
290.08981	1.8
291.06378	1.0
292.07056	2.0
293.07501	4.8
294.05429	2.1
294.08475	3.9
295.05893	18.1
295.16626	2.6
296.06360	36.7
297.07034	8.7
298.07968	8.3
300.08795	1.0
306.08554	3.1
307.05984	3.8
307.09299	4.7
308.06439	19.5
308.09958	3.2
309.07126	8.9
310.07828	9.9
311.08621	2.0
314.07541	2.1
318.08603	2.9
320.06366	5.3
321.07217	13.1
322.07919	21.5
323.08435	2.3
324.05820	2.6
324.09500	1.8
325.06958	11.8
326.07385	52.5
327.07657	3.9
330.08420	2.7
332.06342	1.4
333.07526	1.4
334.07965	8.9
335.08817	10.2
336.09421	28.6
337.06830	4.4
338.07382	16.9
339.08408	3.5
340.08981	10.0
345.07379	1.3
346.07877	13.4
348.05588	1.2
348.09586	1.8
349.06866	4.6
350.07401	25.1
351.08047	2.0
352.08960	5.3
362.07455	1.7
363.08493	3.0
364.08917	44.5
365.09348	3.2
368.08530	1.9
374.07425	10.0
375.07541	1.4
380.08398	6.0
392.08444	100.0
393.08771	9.5
410.09525	88.1
410.17950	14.6
410.24203	2.0
411.09665	8.1
411.19769	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85600	0.4
55.01875	0.9
55.05515	1.3
56.05040	1.2
56.96568	3.6
57.03427	2.3
58.06609	0.7
60.04523	0.5
60.95875	0.5
61.02933	1.7
67.05507	0.7
69.03434	4.7
69.07072	1.1
69.17912	0.5
70.06597	5.0
70.43810	1.2
71.05001	0.9
71.06946	0.8
71.07362	1.3
72.08157	61.6
73.02904	1.2
73.08488	1.1
74.06082	0.8
78.52328	0.4
79.05495	1.6
81.03423	2.4
81.07060	11.3
84.04501	1.6
84.08149	5.9
84.95151	0.4
85.02902	6.7
86.09711	8.3
87.04474	1.3
87.05618	0.6
88.03989	0.5
91.05492	1.4
93.07065	1.4
95.08620	1.1
97.02897	4.4
97.06544	0.5
98.97599	0.8
99.04472	1.1
99.08092	1.0
102.09198	1.1
107.08592	1.8
109.02908	0.8
110.07161	5.3
110.09638	0.5
112.08767	0.6
116.07130	0.4
119.04962	0.8
120.08114	2.8
121.08464	0.6
121.10171	1.0
124.11218	0.5
127.03938	2.1
127.04914	0.4
127.07552	2.3
129.10222	2.3
130.06702	0.6
130.08659	0.8
130.10620	0.7
136.07582	13.4
137.07983	0.7
139.11179	1.4
145.05026	0.8
145.08621	1.0
149.09668	0.5
172.13313	1.7
176.03926	0.6
200.84720	0.4
203.10335	0.6
204.03288	0.7
207.11224	0.6
209.10490	0.5
211.74220	0.5
212.16472	6.5
222.04459	2.5
230.17509	13.1
231.17967	1.0
235.14374	2.5
240.05418	2.5
248.18581	100.0
249.16499	0.8
249.18927	4.7
263.14142	0.6
276.50888	0.5
277.80392	0.5
305.16431	0.4
311.12482	0.6
352.19604	0.8
392.22754	1.3
410.23907	57.5
411.24213	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	410.2904
Annotation	Malyngamide W
Peak:m/z	Relative Intensity
53.03933	0.9
55.01873	1.4
55.05513	2.9
55.36467	0.7
56.05037	1.8
57.03424	3.5
58.06594	3.2
59.71563	0.8
61.02906	0.8
62.06094	51.5
65.03917	1.2
67.05508	7.6
67.22457	0.8
69.03429	0.9
69.07058	2.4
70.06594	5.9
70.92307	2.0
71.04688	0.8
71.05004	7.0
72.08157	62.4
73.08494	1.5
79.05513	4.6
81.03412	1.1
81.07050	6.7
83.04991	1.6
83.08609	1.1
84.08156	4.0
85.06551	1.5
86.09692	1.8
87.26569	0.9
88.07613	1.6
88.63781	0.8
91.05484	32.2
92.05835	1.3
93.07045	5.6
94.11102	0.8
95.04964	3.5
95.08614	7.2
96.08077	0.9
96.26488	0.8
97.06521	3.5
102.09186	17.3
105.07046	6.0
107.04984	2.1
107.08601	3.1
109.10155	1.7
111.08112	2.1
111.65374	0.9
115.05466	4.0
117.07022	35.0
118.07362	1.6
119.08587	2.2
120.08109	1.3
121.06467	1.0
121.10138	2.7
123.04412	8.6
128.06230	2.1
129.06995	9.9
131.08577	11.4
133.10136	1.8
134.66937	1.0
141.06999	16.7
143.08588	5.9
145.10130	2.1
149.05904	1.5
151.07538	1.5
155.08546	4.7
155.51981	0.8
157.10138	9.1
159.11713	1.2
160.09697	3.6
167.08569	2.3
169.10173	5.4
171.11722	1.5
181.10080	4.1
183.11678	5.9
195.11737	2.5
213.14850	1.1
237.16391	1.3
239.11691	1.4
248.13239	1.0
256.13275	0.9
299.05563	1.8
300.05911	3.4
313.21689	1.9
325.48987	1.1
330.10428	5.2
374.26996	2.6
392.27951	27.7
393.28265	3.2
410.29028	100.0
411.15207	1.6
411.20087	1.7
411.29181	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	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33854	0.9
56.40645	0.9
61.52032	0.9
69.70923	4.0
70.06569	2.6
73.27135	1.0
86.09680	1.4
98.23323	1.5
110.39718	0.9
144.02187	0.9
231.13524	1.5
249.10712	1.0
276.55139	1.1
350.14929	1.1
393.13705	1.1
411.15866	100.0
412.16364	7.4
412.20782	1.2
433.05838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.251
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.14442	22.1
57.07081	63.2
59.04764	21.5
66.18803	20.1
70.27959	23.3
71.08643	42.7
71.89943	24.5
73.75837	21.7
81.07045	22.6
94.91277	22.6
95.08604	32.4
98.23360	64.1
98.98466	92.4
103.00902	19.5
110.33303	20.5
117.20493	25.4
155.01064	100.0
251.28775	21.0
257.53986	19.8
286.51746	22.3
313.27478	35.9
401.92398	21.6
411.25146	24.4
431.25119	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	411.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64759	1.1
69.32413	4.6
69.32819	2.2
80.94847	2.0
88.13110	1.1
133.43898	1.2
153.80595	1.3
192.18394	1.1
298.07663	1.1
376.35953	1.3
411.27164	100.0
412.27521	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12395	1.2
67.05482	2.0
69.07059	1.8
70.00323	4.5
81.07033	1.9
86.09708	5.4
91.05474	1.5
93.07041	3.6
95.04974	1.4
95.08601	1.7
98.18322	1.3
105.07018	1.4
107.08537	2.0
109.10178	2.1
121.10181	1.3
122.79369	1.2
129.07057	1.3
131.08508	1.8
145.10172	1.8
157.10089	1.8
166.14098	1.4
335.03094	1.3
344.10602	1.2
411.27194	100.0
412.27518	8.7
428.13275	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	411.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06475	0.8
62.61832	0.8
63.91338	0.8
67.05515	1.6
71.30653	1.3
72.08152	1.3
81.07005	0.9
86.34315	0.9
91.05471	1.3
107.08582	1.0
109.10147	2.0
119.08555	1.1
138.05919	0.8
145.10193	1.1
179.08603	0.9
206.33633	1.0
219.72952	0.8
238.59499	0.8
411.27155	100.0
412.27615	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	411.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67387	0.6
53.66813	0.7
71.28661	0.6
75.15066	0.7
75.54147	0.7
168.41957	0.9
170.63406	0.7
186.99791	0.8
260.63901	0.8
393.25980	2.2
411.27139	100.0
412.27603	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99562	0.4
55.01880	5.2
55.05268	0.6
55.05511	6.1
57.03444	0.6
57.07073	2.2
60.04513	1.3
61.00850	0.9
61.01151	17.5
64.95495	0.4
65.03944	1.3
66.27735	0.4
67.05507	33.7
69.07071	8.5
69.25940	2.3
71.08627	0.9
72.04518	34.2
73.04867	0.4
74.06068	0.8
78.03792	30.3
79.05492	8.1
81.07059	32.8
82.07386	0.8
83.04972	0.7
83.08618	4.6
83.32604	0.4
85.06548	0.7
85.10177	0.8
85.55142	0.4
86.06084	0.9
86.35049	0.5
89.07139	0.6
91.05482	5.5
93.07050	10.1
95.04971	0.8
95.08607	22.4
96.08941	0.6
97.06524	1.4
97.10160	2.1
98.06047	0.9
99.08074	0.9
100.07596	0.5
102.03768	48.4
103.02172	3.7
105.07028	4.2
107.08590	4.8
109.09448	0.7
109.10157	9.7
111.08089	1.5
111.11722	0.5
114.02962	0.8
114.03753	12.4
114.09140	0.4
115.02166	1.9
117.07050	0.7
119.08581	3.1
120.04798	9.6
121.10158	5.1
123.08048	0.6
123.11716	4.4
125.09691	0.5
126.09149	0.6
131.06384	22.0
131.08516	1.3
132.04791	28.7
133.05061	0.5
133.10139	3.7
135.07994	0.6
135.11676	3.4
137.04022	0.4
137.13266	2.7
145.10139	1.1
147.11711	2.3
149.07439	100.0
149.13316	1.9
150.07776	1.5
151.11163	0.5
151.14807	1.1
153.12730	0.6
154.12231	0.6
159.11726	0.7
161.13231	2.5
163.14815	1.9
165.12689	0.6
165.16446	0.5
173.13229	1.0
175.14787	2.1
177.12778	1.6
177.16367	0.9
179.14337	0.5
187.14847	0.7
189.16338	0.6
193.15823	0.6
194.15672	0.4
194.19205	0.6
201.16417	0.6
205.15784	0.6
211.14867	0.5
219.17415	0.5
229.42868	0.4
233.18950	0.6
245.22670	0.9
258.38620	0.4
263.23669	4.3
264.24280	0.5
275.23767	1.2
281.22617	1.1
284.84583	0.4
289.25327	0.9
292.26294	8.3
293.26382	0.5
299.23694	3.1
316.26328	6.1
317.24710	8.9
318.25113	0.9
334.27390	50.0
335.27701	4.2
340.26685	0.6
393.29272	1.5
411.30389	42.7
412.30701	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	412.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80960	3.2
55.01878	4.4
55.05517	10.8
56.96566	4.3
57.03430	4.5
67.05521	7.4
69.07065	12.7
69.39211	21.4
70.06588	37.2
71.05000	3.2
71.06914	3.7
72.08154	100.0
72.51805	3.0
79.05496	10.5
81.03423	4.2
81.07058	12.3
83.04984	4.8
84.08147	11.2
85.02902	3.9
86.09719	23.9
91.05479	8.9
93.07057	10.2
93.63947	3.5
95.04942	7.3
95.08610	8.4
98.09726	5.3
100.11235	3.5
103.05482	4.4
105.07014	13.6
107.08583	5.9
109.06563	7.0
110.07185	8.0
112.07576	4.2
115.05495	5.7
117.07031	12.5
118.67397	3.4
119.04948	3.5
119.08570	4.4
120.08102	58.9
120.76483	4.1
124.11221	4.3
128.06230	4.3
129.07019	6.6
131.08551	3.9
133.06493	7.5
133.10168	5.2
135.08121	3.9
143.08505	5.6
145.06453	17.9
157.10149	5.3
159.04385	4.7
159.08054	6.7
159.11699	6.1
169.10097	6.9
171.04503	4.7
171.08128	7.8
173.05975	19.1
175.07538	4.1
183.08041	3.5
185.06059	4.1
187.11234	5.5
189.05547	17.6
195.11725	6.7
197.06029	4.3
197.09514	4.1
199.07629	4.1
201.05510	4.4
201.12210	3.9
211.11203	7.8
213.09108	5.0
213.12575	6.2
215.07060	6.9
215.10565	5.0
217.04991	33.1
219.14992	19.4
233.04535	3.8
239.10648	23.2
241.12193	21.4
243.06429	3.9
245.04425	12.9
247.14479	8.3
257.11716	15.4
261.04086	14.3
263.05508	13.3
267.10239	11.7
269.11813	11.4
269.85681	3.9
285.11215	72.0
286.11691	5.8
287.12735	8.7
289.10608	4.1
295.09753	10.6
297.11243	8.4
306.28003	5.0
313.10681	37.3
313.15820	3.5
331.11703	26.2
341.10287	20.1
350.26920	6.6
351.25119	10.3
359.11145	28.0
368.27930	9.3
377.12378	12.4
385.27606	5.1
411.32059	7.8
412.17834	37.2
412.23337	19.3
412.27176	9.3
412.31717	7.1
413.17029	5.0
413.21347	5.8
413.25565	6.5
413.30240	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05246	2.5
55.05511	43.7
56.23968	2.1
57.07044	2.2
58.06604	3.0
66.92760	2.4
67.05499	10.2
69.03420	5.0
69.07053	7.9
70.06588	19.3
70.76627	4.7
72.08145	24.0
78.13301	2.7
79.05495	5.3
81.07042	9.7
82.06564	15.0
83.04979	13.3
83.08623	25.1
84.08144	7.3
85.06523	2.8
85.38065	2.2
86.09707	7.9
87.07063	2.2
91.05481	6.4
91.58105	7.2
93.07053	6.3
95.04958	4.6
95.08598	3.4
98.09657	5.9
100.07623	16.8
100.11259	100.0
105.07080	5.8
107.08630	3.5
110.06039	9.3
110.06997	2.5
111.04432	25.8
112.07595	2.4
115.05415	5.7
117.07018	6.0
120.08086	12.3
121.08331	2.9
121.10147	3.0
126.09152	7.0
128.06226	2.9
128.07089	13.7
140.07040	4.2
141.11487	18.0
143.08600	4.2
145.06491	8.1
145.10152	2.8
153.33444	2.8
154.12277	2.9
155.08501	3.7
155.11206	7.7
161.06038	2.8
165.06973	2.8
169.06412	2.7
171.04407	3.7
171.08047	4.3
173.05956	12.8
182.15413	61.3
183.11650	3.2
185.09627	2.9
187.03912	3.0
187.07512	3.5
187.11288	2.6
189.05444	7.4
193.10059	4.2
198.60963	2.3
199.18092	7.5
205.12061	3.2
209.16486	14.1
210.14894	76.3
210.16887	4.5
211.11194	9.1
213.08919	3.2
213.12733	2.7
215.07043	4.0
215.10643	3.0
217.04951	26.5
218.66267	10.0
221.05598	2.5
223.11128	3.6
226.19177	4.0
227.17569	9.7
228.15894	12.5
233.04343	4.7
239.10735	17.7
241.12294	11.3
243.06560	3.0
245.04498	9.7
245.18651	11.2
251.12610	14.4
257.11752	10.3
259.09451	3.3
261.03940	12.5
263.05389	7.5
267.10126	14.4
268.21445	37.6
269.11646	5.5
270.19107	2.7
276.72757	7.6
282.19397	8.1
285.11215	68.5
286.11551	3.1
287.12772	6.4
289.10770	3.3
295.09564	12.8
297.11206	2.8
313.10724	24.0
326.27963	11.5
331.11664	24.8
331.74579	36.1
336.22876	5.7
337.21146	8.5
340.25998	2.6
340.75156	11.5
341.10123	10.3
351.24966	3.3
355.22177	2.8
359.11316	22.7
368.27982	8.0
377.12286	7.7
395.27841	5.3
411.32410	4.2
412.20285	59.9
412.26733	8.3
412.31659	4.6
413.21387	25.8
413.25925	3.2
435.33276	9.4
436.31836	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34483	4.2
55.05514	5.3
55.13335	4.0
61.57205	4.1
69.03418	14.4
69.43166	18.2
69.43581	8.6
70.06591	17.6
72.08147	20.6
79.73695	4.3
81.03419	12.6
81.07069	4.6
82.20013	4.2
84.80100	4.4
85.02906	76.7
85.03378	8.3
86.09707	15.8
97.02888	14.3
98.22607	10.1
99.04459	37.6
99.50597	5.4
103.03940	77.4
109.02866	15.5
112.59863	4.0
127.03927	100.0
130.86632	4.1
145.04951	50.9
163.06026	33.2
165.98727	5.1
251.12706	5.9
289.09100	5.0
301.89474	4.2
307.10052	5.9
320.41818	4.8
382.19122	10.8
412.20190	33.0
412.25485	5.8
412.31360	6.9
413.21411	84.5
413.26532	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	23.5
59.04985	4.4
59.57588	3.4
61.02929	7.5
63.50732	3.2
69.03431	90.0
70.06602	37.9
70.08969	6.8
70.09332	5.9
71.04993	3.3
72.08151	9.6
81.03414	8.8
83.08641	5.8
85.02426	6.3
85.02909	84.3
86.09714	17.3
87.04469	60.0
93.07074	4.0
95.04947	3.6
97.02892	82.4
111.08123	3.3
115.03931	99.0
119.84768	3.3
127.03908	13.7
133.04968	100.0
141.10257	5.4
145.04953	31.0
150.07626	11.6
153.09103	3.5
163.05994	18.2
167.10640	4.6
169.09738	5.4
179.10608	4.1
183.15009	4.7
227.12743	5.0
245.18518	4.0
259.08368	5.3
263.14908	4.4
282.18176	6.2
295.10141	4.3
323.48117	3.7
393.96695	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.05492	0.9
56.05027	1.0
57.03429	0.4
58.06575	0.4
63.66014	0.4
69.03434	0.5
69.52337	1.3
70.06593	19.9
72.08154	4.8
74.06081	4.3
81.97032	0.4
83.06104	0.6
84.04497	1.1
84.08160	2.0
85.02891	0.5
86.09715	3.0
93.44602	0.4
98.06048	0.6
98.23289	0.8
102.05539	1.4
110.07160	1.8
116.07072	4.1
117.03349	0.6
118.24268	0.4
119.03548	3.7
120.06585	9.0
120.07962	0.4
129.10258	1.6
136.06186	100.0
137.04646	1.0
137.06657	2.1
143.11806	0.4
145.02867	1.4
162.04112	61.5
163.04337	0.9
169.13359	1.3
171.11284	1.8
177.05469	2.2
197.12840	1.4
199.10782	3.5
213.12329	0.6
217.11868	1.2
219.06583	0.6
229.15419	0.9
251.09158	1.4
281.09930	52.0
282.10236	2.7
298.17624	1.7
314.17154	1.4
413.24008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87836	1.3
53.68644	1.2
56.96575	1.3
70.06583	4.3
70.29834	4.0
77.48585	1.4
79.65182	1.2
84.08144	1.5
91.05486	1.9
94.93378	1.1
95.01958	1.9
100.02515	2.3
101.00887	10.5
102.30615	1.3
103.05463	8.1
110.07176	3.6
118.03526	16.3
119.01924	49.1
120.02003	1.4
120.08104	100.0
121.08485	2.6
130.03578	1.5
130.06505	1.5
131.04944	2.0
136.04564	4.0
137.02969	14.7
147.00139	2.9
151.05995	2.1
160.06082	4.0
166.08704	1.3
178.07133	3.1
188.05667	1.9
202.07158	8.4
203.05562	3.1
206.06612	20.2
207.06888	1.6
216.07425	3.1
220.08212	2.3
221.06737	11.6
224.07657	13.0
225.07848	1.5
230.06621	1.8
239.07735	3.8
242.08731	15.9
243.09085	2.2
248.07692	57.5
249.06131	5.8
249.08234	2.5
262.07986	1.8
266.08740	56.1
267.06848	2.4
267.09259	2.5
275.72076	1.3
289.10419	2.0
294.06931	2.1
307.13129	2.3
317.11295	2.3
325.13852	2.9
326.12207	1.7
335.12469	5.4
353.13467	21.7
354.13580	2.7
371.14523	58.8
372.14767	11.9
389.15759	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
67.05494	1.7
69.03413	0.5
69.07047	0.7
69.42560	2.7
70.06577	2.0
71.04974	0.5
72.08160	5.4
79.05495	0.9
81.03397	0.5
81.07061	2.2
83.04974	0.8
84.08134	1.6
85.02891	0.8
85.06533	0.7
86.09686	1.5
89.62791	0.4
91.05477	1.2
93.07062	1.1
95.04935	0.8
95.08597	1.3
105.07009	1.4
107.08586	1.1
108.83687	0.5
109.06411	0.5
117.07064	0.5
119.08601	0.6
120.08069	0.5
121.10142	0.6
123.08051	0.5
129.06963	0.6
133.10138	1.3
135.11627	0.5
145.10107	1.4
149.13200	0.6
159.11745	0.7
165.09128	0.5
173.09581	0.7
185.04213	6.0
187.11011	0.5
215.10791	0.7
251.12547	100.0
252.12863	5.2
351.25177	0.9
369.18723	0.6
382.29431	0.7
395.29642	0.6
413.17776	53.9
413.29956	1.4
414.18460	5.0
414.23273	1.2
414.28189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55431	0.3
55.05515	2.7
56.05032	2.3
58.06593	1.3
60.04504	0.4
65.83205	0.3
68.05036	0.8
69.03439	0.7
70.06593	100.0
70.54617	0.8
71.06931	1.6
72.08156	17.9
73.06421	0.6
73.08507	0.4
74.06077	7.9
75.06435	0.3
83.06109	0.8
84.04513	3.6
84.08144	4.4
86.09705	3.4
95.05991	0.3
98.06058	3.5
99.03328	0.3
100.08758	0.8
101.07156	0.5
102.05553	0.7
109.07661	0.4
110.07148	3.1
112.08723	0.5
112.92107	0.3
113.07098	0.3
113.08400	0.5
114.05544	3.2
116.07095	26.8
117.07452	0.5
119.03558	0.5
120.06586	1.2
120.08136	0.5
126.05513	1.5
126.09160	0.9
127.08690	1.9
129.10240	2.6
130.04982	0.5
131.12982	0.6
136.06184	14.5
136.07625	0.6
138.05421	0.3
141.13878	0.4
142.08640	0.7
143.11777	0.4
145.02855	1.2
147.11472	0.3
150.07770	2.0
153.10231	1.5
155.08110	2.0
156.06517	0.5
162.04111	9.4
163.04021	0.4
169.13367	9.0
171.11296	11.4
173.09282	1.3
177.05511	1.3
181.04955	0.7
181.09738	0.9
197.12859	12.1
198.13283	0.8
199.10783	23.9
200.11174	1.1
213.12328	1.0
217.11848	8.6
217.13876	0.5
218.12241	0.6
223.34579	0.4
225.09808	0.8
227.10242	2.4
229.11827	1.3
229.15485	0.4
237.12404	0.7
251.09190	0.5
254.15005	2.3
270.14410	0.4
280.16556	0.6
281.09952	5.6
296.16180	1.1
298.17603	10.9
299.17899	0.7
310.12939	0.5
314.17087	7.5
315.17279	0.5
334.13983	0.3
369.17752	2.0
395.22873	2.3
396.23425	0.4
397.48340	0.4
413.19003	0.4
413.23956	10.5
414.24286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
55.05516	11.5
57.07080	5.3
61.01156	18.9
67.05502	15.3
69.01191	10.0
69.07069	20.1
71.08627	3.6
71.53680	1.0
72.04519	41.7
74.06046	1.5
78.03794	33.1
79.05486	5.7
81.07054	17.4
83.08625	15.7
84.03365	1.3
85.10194	1.3
86.06048	1.9
91.05492	5.8
92.05820	1.5
93.07038	8.4
95.08612	15.7
96.08975	1.1
97.10159	8.3
102.03770	45.1
103.02167	3.1
105.07022	3.2
107.08604	4.8
109.10167	7.9
111.11727	1.8
114.03754	12.3
120.04829	9.4
121.10143	9.6
123.11714	2.3
131.06392	21.1
132.03853	2.0
132.04807	30.3
135.11716	6.0
149.07443	100.0
149.13284	2.9
150.07898	2.2
163.14870	2.5
185.24124	1.1
225.87711	1.2
247.24315	1.9
265.25354	9.1
275.07938	1.0
294.27914	17.3
295.28418	1.4
319.26401	4.9
336.28967	79.7
337.29462	7.9
342.28268	1.4
355.98657	1.2
413.32031	51.6
414.32419	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	413.3414
Annotation	Tylopiol A
Peak:m/z	Relative Intensity
55.05511	18.7
57.07079	7.7
67.05513	12.8
69.07079	26.4
69.19314	58.0
70.81181	7.5
72.11683	7.4
79.05516	8.2
81.07059	34.1
81.86478	7.4
83.08608	15.2
91.05468	18.2
93.07054	17.5
95.08610	50.6
97.06557	9.1
97.10143	11.5
105.07036	52.4
106.07356	16.2
107.08603	22.5
109.10159	22.5
119.08580	15.8
121.10181	15.0
122.09694	25.9
123.11712	9.6
133.10136	21.9
133.87151	7.0
135.11639	9.8
140.47807	8.4
143.08530	9.9
147.11674	13.1
149.09590	9.4
155.08583	7.8
159.11617	11.6
161.09648	12.9
163.11197	11.9
163.52498	7.4
173.13286	10.6
175.14880	13.5
229.19423	9.3
280.33017	8.8
395.33069	100.0
396.33380	11.8
413.17480	10.1
413.33862	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97494	0.3
55.05504	0.3
56.05035	12.2
57.03430	1.1
58.06599	6.3
60.04523	0.3
67.05497	0.3
69.03423	1.1
69.08144	0.9
69.08557	1.6
70.02971	0.6
70.06590	6.0
72.08154	3.5
73.02898	0.5
73.04045	1.3
74.06078	16.6
75.06458	0.3
75.64053	0.4
79.05465	0.6
84.04500	9.6
84.08163	1.9
85.02898	1.6
86.09705	7.0
87.04453	0.7
87.10004	0.4
88.03975	0.7
91.05471	4.6
93.07036	1.6
95.04945	0.6
97.02901	0.9
101.07137	17.2
102.05550	1.4
103.05452	4.9
103.06120	0.4
105.07032	3.5
113.78690	0.4
115.03953	0.7
115.05458	0.7
117.05791	0.7
117.07000	1.7
118.06528	0.9
119.07345	4.3
120.08102	100.0
121.08463	3.3
127.03900	0.7
128.06239	0.6
129.07004	0.4
129.10234	1.1
130.04994	0.3
130.06525	2.5
131.08499	0.4
132.08095	4.0
133.04941	1.3
134.09694	0.4
141.10213	0.6
142.06538	0.5
143.07306	1.7
143.08467	0.7
144.08063	0.7
145.04944	0.6
146.05980	0.4
147.07651	1.2
158.09648	15.5
159.10080	0.7
160.07584	1.3
160.11198	3.6
163.05959	0.4
166.08624	5.4
175.12054	0.4
176.10696	14.5
177.10205	6.0
183.11417	0.4
183.14891	1.0
201.12331	2.7
203.11818	1.5
203.13783	0.3
211.14453	0.7
221.12839	96.9
222.13152	3.8
227.08344	0.3
249.12332	16.7
250.12708	0.9
313.15463	3.5
357.21335	0.8
414.28427	0.9
415.19312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.6
58.99600	11.4
67.05499	17.2
69.07079	14.9
71.29644	6.1
71.96146	5.0
76.02212	13.4
79.05500	16.5
81.07056	17.6
81.92167	5.2
82.46160	6.0
91.05474	12.9
93.07050	12.7
95.04974	5.8
95.08612	16.0
98.97611	9.5
105.00046	7.3
105.07040	14.4
105.61310	4.9
107.08603	6.7
109.10108	7.3
119.08555	10.1
121.10121	7.3
122.02697	43.8
131.08588	8.2
133.10139	14.7
136.30431	5.3
136.69926	5.2
147.11720	9.3
177.76122	5.1
245.05927	5.0
247.20509	5.2
257.19025	9.2
274.97498	11.5
275.20047	100.0
275.74545	5.6
276.20374	6.0
292.98376	5.2
293.21124	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.05038	11.8
57.03431	3.6
58.06593	5.4
60.04525	1.0
61.02912	1.1
67.05505	1.6
69.03433	9.4
69.07070	2.4
69.32417	0.9
69.32821	4.4
70.06592	18.7
71.04974	1.1
71.06929	0.9
72.08154	25.8
73.04050	0.9
74.06080	16.1
77.84348	0.6
79.05495	1.2
81.03423	2.6
81.07053	2.0
83.06103	0.8
84.04508	8.9
84.08141	5.1
85.02905	15.4
85.06554	0.8
86.09706	27.9
87.04477	6.9
87.10050	2.1
88.04031	1.1
91.03946	1.2
91.05476	9.6
93.07030	1.8
95.04959	3.0
95.08585	1.5
97.02898	8.1
97.06546	0.8
99.04456	3.0
101.07141	19.9
102.05543	3.0
103.03934	3.5
103.05465	5.0
105.07021	3.5
107.04956	1.5
109.02880	3.1
115.03934	9.3
115.05431	0.7
116.07082	1.2
117.05740	1.0
117.07037	2.3
118.06593	0.9
119.07339	5.3
120.08108	100.0
121.08463	2.8
121.58904	0.7
127.03948	6.8
129.10240	3.1
130.06548	3.5
131.08537	1.1
132.08110	3.6
133.04980	12.0
133.10068	0.8
134.67003	0.8
136.07529	0.8
136.61560	0.7
143.07315	1.5
143.08542	0.9
145.04968	6.4
147.07675	1.1
150.07582	0.8
158.09657	15.1
160.07658	1.7
160.11244	3.0
163.06052	2.7
166.08577	4.8
167.07001	1.4
176.10709	14.3
177.10194	5.7
183.14920	2.5
185.12799	1.2
186.09097	0.8
189.12447	1.1
199.18071	1.3
201.12376	3.6
203.11765	1.6
205.09691	0.9
217.91937	0.8
221.12848	87.0
222.13129	4.6
227.17505	1.1
235.13426	0.8
249.12329	13.9
250.12665	1.1
261.72681	0.8
272.17493	1.1
295.06332	0.8
302.15036	2.0
313.15463	3.6
357.21094	1.0
358.67548	0.8
386.97168	0.7
391.13348	0.7
396.27374	3.3
403.87979	0.7
414.28387	11.4
415.19534	1.7
415.29929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.0
55.05516	3.1
56.05030	9.4
57.03435	11.6
58.06588	3.4
58.59705	2.2
60.04540	2.6
60.90673	2.4
61.02918	3.8
63.66635	2.4
67.05503	7.6
69.03430	46.2
69.04637	21.8
69.07062	7.5
70.06592	70.8
71.05003	2.5
71.06902	2.8
72.07757	3.1
72.08155	60.1
72.79639	2.3
74.06077	13.9
79.05499	4.3
81.03411	6.3
81.07050	5.6
81.69056	2.4
83.04970	2.3
84.04501	9.1
84.08138	16.2
85.02906	59.0
86.09707	100.0
87.04460	21.8
87.10021	11.3
91.05471	18.9
93.07027	5.7
95.04964	6.0
95.08624	3.5
96.08150	2.9
97.02890	37.1
97.06520	2.7
98.06075	2.9
98.09705	3.4
99.04437	6.7
99.17011	2.3
101.07136	10.3
102.05565	3.8
103.03938	6.3
103.05497	3.6
103.97076	2.7
105.07069	5.1
107.04951	3.9
107.08566	4.7
109.02861	6.2
112.08757	2.8
115.03936	30.5
116.07098	6.3
117.07030	3.9
119.07303	3.7
119.08569	3.1
120.08108	72.0
121.08425	2.6
121.10178	3.0
123.08089	2.9
127.03909	20.4
129.10246	7.1
130.06525	4.5
132.08064	4.3
133.04967	44.9
141.10262	5.2
145.04953	20.7
146.06036	2.8
157.13342	4.5
158.09662	9.2
159.07994	3.5
159.09105	4.6
163.06091	7.3
166.08583	5.0
167.07115	3.2
171.11348	2.9
175.71185	3.2
176.10727	12.0
177.10249	3.1
183.14989	9.7
185.12903	6.5
185.16399	3.0
188.07036	3.6
189.12425	7.0
199.18045	4.3
203.13943	3.3
211.14461	4.8
213.15915	2.8
221.12866	52.9
221.14986	3.1
225.31042	2.7
226.09467	3.0
227.17519	3.3
231.17017	4.0
249.12395	8.7
268.22690	2.5
272.17545	3.4
300.63037	2.3
302.14905	6.6
370.18887	2.8
378.26321	2.8
396.27393	7.1
414.28381	27.9
415.12967	2.4
415.19345	12.5
415.29904	3.5
433.30228	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	414.2614
Annotation	N-Desalkylbuprenorphine
Peak:m/z	Relative Intensity
52.52128	0.3
58.06589	0.4
69.07058	0.6
70.45140	0.5
70.45496	0.7
72.08152	0.4
73.28291	0.3
74.27265	0.2
74.95595	0.3
79.05497	0.4
81.07041	0.5
90.64388	0.2
91.05466	2.4
93.07032	0.5
95.08595	0.5
96.44794	0.2
105.07055	0.3
116.71212	0.2
117.07037	0.7
119.08579	26.5
121.10145	0.4
125.09603	0.3
125.64647	0.3
131.54851	0.3
133.06458	0.3
133.10092	0.3
151.17261	0.3
267.32294	0.2
339.22946	0.9
353.63879	0.3
396.24960	2.3
414.26135	100.0
415.26416	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	414.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05512	20.1
57.07075	15.6
58.06601	2.2
59.05000	0.5
67.05506	3.3
69.07068	30.2
70.07401	0.8
71.08631	9.2
79.05497	1.5
81.07053	5.3
83.04974	0.9
83.08617	24.4
84.08974	0.4
85.10184	4.8
87.79169	0.4
91.05470	0.4
93.07023	2.1
95.08608	4.2
97.10168	22.4
102.05540	14.8
104.07102	100.0
105.07449	1.3
107.08597	1.6
109.10168	1.6
111.11718	8.7
117.92911	0.4
119.08560	1.2
121.10118	2.1
123.11710	0.7
125.13235	3.6
130.05000	0.8
131.54193	0.4
135.11673	2.0
137.13257	0.5
139.14809	0.9
149.13269	0.7
152.28629	0.4
158.18660	0.5
160.72946	0.4
163.14835	1.3
177.16374	0.5
191.18130	0.5
209.19078	1.4
252.37469	0.4
263.65833	0.4
275.27328	2.9
293.28403	7.6
294.28751	0.5
336.32486	0.7
396.34702	9.2
397.35028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
61.96245	0.5
69.89945	2.9
70.06581	4.2
71.95263	4.4
72.08153	1.6
72.96045	4.7
74.97600	0.8
84.08130	1.4
84.96042	3.2
86.09704	1.0
90.28553	0.6
97.96805	0.9
98.97589	3.5
110.97589	0.8
115.08700	0.8
116.07063	0.9
116.98595	1.3
120.99612	0.7
122.98379	0.6
128.98640	0.7
129.10271	0.9
136.99100	3.1
139.00658	8.1
155.00162	11.4
156.00717	0.6
157.01735	18.4
157.03032	1.1
164.98575	7.1
168.30954	0.6
172.94220	0.7
173.01228	16.0
175.02788	48.0
176.03189	0.9
182.99657	39.8
183.99991	1.1
191.02257	3.7
193.03850	22.2
201.00711	99.9
202.01045	2.8
219.01767	98.7
220.02174	3.0
224.02251	1.4
226.98653	1.1
229.00023	0.6
237.02789	5.8
242.03290	0.8
244.99706	9.7
263.00742	4.4
263.08835	0.9
274.97476	2.3
276.69983	0.6
283.04962	1.2
292.98550	1.8
309.02829	7.3
327.03879	16.8
328.04251	0.6
345.04703	1.2
353.01788	1.6
361.06494	0.6
373.04388	0.9
397.00803	0.7
416.26172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72647	0.2
53.03942	0.3
55.05517	0.9
56.05036	0.4
57.03431	0.9
57.25620	0.2
58.06603	0.4
60.04536	0.4
67.05508	1.3
68.05032	0.2
69.03429	0.4
69.07064	1.2
70.06593	100.0
70.42683	0.5
71.04986	0.6
71.06918	1.9
71.07288	0.3
72.08156	31.0
73.08484	0.5
74.06080	0.4
76.22106	0.3
79.05514	1.5
81.03435	0.6
81.07040	1.5
83.04994	0.6
83.08659	0.3
84.04506	0.6
84.08139	0.9
85.02943	0.4
85.06525	0.2
86.06087	0.3
86.09705	16.2
91.05497	0.7
93.07057	1.5
95.04996	0.5
95.08599	1.5
96.08147	0.4
97.02895	0.4
97.06519	0.6
97.10138	0.3
98.06057	2.5
99.04514	0.4
100.07624	0.2
101.07188	0.5
103.05495	0.4
105.07047	0.5
107.08602	1.0
109.02862	0.7
109.10168	0.4
110.07175	0.7
112.08733	0.3
116.07112	0.5
118.06501	0.3
119.08589	0.7
120.08097	2.4
121.08473	1.3
121.10121	1.4
124.11249	0.8
125.07124	1.1
126.05531	0.9
127.03934	0.4
128.10719	0.7
129.10233	0.5
130.06567	0.6
131.08559	0.3
132.08092	0.6
132.10170	0.2
133.10155	0.5
139.11185	0.7
140.20667	0.2
143.11794	0.3
144.08090	0.6
146.06012	2.5
157.13377	0.6
158.09645	0.3
159.09140	1.7
166.08453	0.3
170.06039	0.4
173.09346	0.2
176.10680	0.4
183.14931	7.6
184.15314	0.3
185.12985	0.8
188.07074	10.6
189.07422	0.6
195.18593	0.2
203.12648	0.4
205.09743	6.3
211.12390	0.4
211.14418	8.4
212.14677	0.4
221.12895	1.4
221.15166	0.4
222.13257	1.7
225.17200	0.2
229.15410	0.3
231.17087	0.5
248.19986	0.5
249.12265	0.2
260.04349	0.2
260.19614	0.3
266.21231	0.7
301.15121	0.4
302.14984	34.3
303.15341	2.7
385.56149	0.2
397.22433	0.3
397.26947	4.8
398.27545	0.4
415.18964	2.2
415.23260	5.8
415.28052	17.6
416.18594	1.3
416.23529	0.7
416.28458	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	415.2802
Annotation	(+)-Epopromycin B
Peak:m/z	Relative Intensity
50.07215	0.7
55.05510	1.2
55.95541	0.8
56.05027	2.3
57.03444	1.3
58.06602	4.8
67.05507	3.6
69.07071	2.1
70.06591	4.1
72.08158	10.8
79.05486	2.3
81.07059	6.1
83.08643	1.0
83.26756	0.8
84.04504	5.6
84.08147	16.1
86.06053	2.4
86.09697	7.3
93.07048	2.5
95.04955	0.9
95.08609	4.7
96.08095	1.0
98.09711	1.0
98.22555	1.4
98.97575	1.1
102.05540	2.6
104.07093	0.8
105.07011	1.0
107.08625	1.5
109.02931	0.8
109.10160	1.4
112.11233	1.8
112.24688	0.7
116.07096	1.0
119.08613	0.8
121.02915	0.9
121.10147	1.2
130.05042	3.6
143.11797	1.7
147.22766	0.7
148.06067	3.0
171.11264	1.1
171.73991	0.7
246.14543	0.9
249.23228	2.0
250.21645	15.5
250.24011	1.3
251.22040	1.1
267.24359	2.9
268.22705	26.9
269.23044	2.0
274.97552	2.6
286.23758	11.6
287.23987	1.0
292.98709	1.0
309.13220	1.0
344.97409	0.9
353.27921	3.2
397.26999	18.8
398.27844	2.4
415.28033	100.0
416.28482	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	415.3207
Annotation	Diosgenin
Peak:m/z	Relative Intensity
55.05514	4.2
55.52188	0.6
57.03424	2.6
57.03670	0.6
65.03958	1.0
67.05506	8.4
69.07070	25.0
69.24290	3.2
69.24710	1.7
70.06581	1.6
72.11124	0.6
73.06560	3.7
79.05490	5.8
81.07052	9.5
83.04984	1.0
83.08618	1.7
83.99926	0.6
91.05454	8.0
93.07047	10.1
95.04948	1.1
95.08602	6.7
97.06545	3.6
97.10166	1.6
105.07030	7.5
107.08601	12.3
109.10159	10.3
109.10837	1.2
115.07600	3.2
117.07029	3.2
119.08581	37.5
120.08896	1.5
121.09301	1.0
121.10145	16.1
125.09630	15.1
127.11196	2.6
129.07013	2.5
131.08580	8.7
133.06607	0.6
133.10126	13.2
135.11676	2.7
137.09615	0.8
141.06972	1.4
142.07774	3.2
143.08566	5.6
145.10126	9.3
146.10529	0.8
147.11687	14.8
148.12083	0.6
149.09628	1.2
149.13280	2.3
151.11208	2.5
155.08540	1.9
157.10130	30.3
158.10446	1.3
159.11703	16.6
161.13274	1.9
163.11162	1.0
169.10130	2.7
171.11659	6.9
173.13278	4.9
175.11182	6.5
177.12749	1.2
182.10858	1.2
183.11708	3.5
184.12367	0.7
185.13258	3.0
197.13249	6.4
199.14830	1.1
201.16382	0.8
209.13293	1.0
211.14847	5.1
212.15459	1.1
213.16383	1.3
223.14832	1.0
224.15608	2.0
225.16406	3.2
227.17943	0.8
238.17024	1.6
253.19519	47.9
254.19858	2.7
255.21083	1.1
271.20563	100.0
272.20862	6.4
283.24191	2.3
340.13281	0.9
344.61023	0.6
371.14789	1.5
379.30136	1.0
397.30981	1.9
415.21246	4.5
415.26767	1.4
415.32092	18.3
416.26993	0.7
416.32367	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	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01867	7.5
57.03429	6.5
61.02934	5.3
63.22044	2.0
65.03934	2.3
65.20149	2.1
67.05491	4.6
68.99783	4.0
69.03431	32.5
69.07072	3.7
70.06589	16.2
70.34576	2.0
70.48756	6.6
71.04981	4.3
72.08156	9.8
73.02924	10.0
79.05503	2.5
81.03423	26.0
81.07059	6.3
84.08135	8.5
85.02903	100.0
86.09698	7.3
86.51858	2.2
87.00838	35.6
91.03940	2.8
91.05466	7.3
92.19482	2.1
93.07061	4.5
95.04979	3.1
95.08602	6.3
97.02883	31.4
97.10181	2.3
99.04458	16.3
102.06188	2.4
103.05468	3.2
105.01861	38.4
105.07039	7.1
107.04900	3.1
107.08579	5.9
108.04494	9.8
109.02871	33.1
109.06516	52.3
110.07170	13.8
112.07546	2.7
112.08719	3.8
117.01844	2.3
117.07006	2.6
118.00208	2.2
119.08577	2.8
120.08121	4.4
126.05529	4.7
127.03915	65.6
129.01822	3.7
129.10229	4.5
130.06543	2.8
133.06502	5.1
133.10155	3.5
145.04944	35.2
147.02872	3.4
147.11795	2.5
151.07550	8.4
151.11197	21.1
159.02924	18.6
161.09615	3.2
163.11217	9.6
167.07069	11.0
175.11118	2.4
181.04962	7.0
189.03966	4.3
199.07446	2.5
213.03954	3.0
230.06590	2.5
231.04944	16.2
241.12242	2.8
243.61842	2.1
248.07654	3.3
308.19702	2.6
318.43744	2.2
398.15915	14.6
416.16327	8.1
416.25354	13.2
417.15335	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	416.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
55.81321	0.4
56.05029	2.0
57.05812	0.6
57.70308	0.4
58.06590	0.8
60.04538	0.4
60.05643	0.4
61.01142	0.4
67.05526	0.5
69.07068	8.9
70.06592	13.5
71.04993	0.3
71.06928	0.6
72.08155	31.3
73.08492	0.7
74.06077	0.9
75.05611	2.1
79.05505	0.8
81.03414	0.5
81.07047	0.9
82.23198	0.4
83.06098	1.7
84.04509	7.8
84.08147	8.4
85.02906	1.0
85.08930	0.6
86.09705	100.0
87.05592	4.6
87.10038	1.7
88.03997	0.9
95.08625	0.7
96.04478	0.6
96.08144	0.5
98.02415	0.6
98.06062	0.5
98.09687	1.0
99.05579	0.9
101.07152	1.1
102.05534	3.2
110.02391	0.8
110.06051	0.7
110.07169	6.2
112.08705	1.9
113.07123	0.9
114.05526	0.5
114.09195	0.6
115.05075	1.2
115.08683	0.9
116.07077	2.0
118.08659	1.6
120.08074	2.0
124.03980	0.9
127.05032	0.9
127.08638	0.5
128.10753	0.5
129.06590	2.8
129.10237	10.8
130.08633	0.6
132.10211	1.5
133.06084	1.8
141.06575	2.8
141.10225	1.7
143.08203	0.5
143.11790	14.7
144.06581	1.2
147.07695	1.2
152.07005	0.5
152.10704	0.5
155.11794	0.6
157.09773	1.4
157.13396	1.0
158.09270	1.4
159.07666	1.2
162.07640	1.3
166.08640	0.9
169.06110	0.9
169.09702	0.5
170.11775	1.1
171.11285	10.5
172.07204	0.6
172.11699	0.6
175.10744	5.2
182.12852	0.5
183.11275	1.9
183.14833	0.4
185.12906	0.7
186.08769	4.3
186.12352	0.7
187.07173	1.9
187.10818	0.7
189.12318	3.5
197.12814	3.5
199.10788	0.6
200.13924	3.0
201.12308	2.6
212.09181	0.6
214.11931	0.6
215.13898	7.6
217.15318	0.5
223.10771	0.5
225.12381	1.6
228.13441	9.7
228.17072	0.9
229.11833	3.0
231.17032	2.0
240.13483	1.1
243.13419	1.5
246.14508	4.9
257.13785	0.6
257.16171	1.1
275.16010	1.0
282.14459	0.4
284.19431	0.4
285.15793	2.8
286.13928	1.8
299.17349	0.6
299.20630	0.6
303.16666	2.8
313.18774	0.3
313.22305	8.3
314.22733	0.5
341.21936	2.0
353.22000	1.1
380.27963	0.9
381.21497	0.5
398.24066	1.2
398.29135	2.5
416.25687	2.7
416.30945	3.2
417.24921	1.6
417.30157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
56.05040	6.3
57.05815	0.9
57.78176	0.8
69.03393	1.1
69.07061	7.9
70.06202	1.8
70.06591	33.1
70.48410	2.6
71.06921	2.3
72.08153	61.8
73.08496	1.7
74.06078	2.2
75.05594	1.8
82.06581	1.1
83.06100	24.2
84.04504	27.5
84.08141	85.1
85.06528	0.9
85.08495	0.9
86.09702	100.0
87.05606	2.6
87.10032	2.6
96.08105	0.8
101.07135	10.2
101.10780	3.2
102.05560	2.4
110.07173	6.3
110.09696	2.3
110.64796	0.9
111.09204	1.4
112.07574	0.9
112.08749	2.2
115.08658	1.1
116.07104	2.7
120.08077	2.0
129.06601	4.6
129.10236	42.8
130.04996	9.3
130.10609	1.2
132.10226	1.6
133.06090	1.8
136.07594	1.0
138.09132	17.9
141.10254	1.4
143.11760	5.6
144.06516	0.9
147.07635	14.7
155.11774	8.5
156.07564	1.1
157.09712	2.3
157.10883	1.2
157.13379	1.5
158.09282	0.9
163.03638	0.7
169.09764	1.4
170.09219	1.3
171.11316	6.4
171.21692	0.9
173.09225	3.1
174.09503	1.1
175.08734	1.2
182.11227	1.1
182.12889	28.8
183.11282	28.9
183.12904	1.6
183.14868	2.5
185.12892	1.2
185.16492	1.9
186.08688	1.3
186.12425	2.6
189.12334	13.6
199.14424	0.9
199.18073	1.4
200.13925	24.7
201.08716	1.2
203.10327	1.7
204.10600	1.1
210.12373	13.7
211.10809	3.1
217.11919	1.0
222.42831	0.9
228.13403	15.8
228.17108	2.4
229.11729	1.1
231.17061	0.9
232.12866	1.0
246.14453	6.6
252.29196	0.8
254.17557	1.3
260.16037	1.0
267.18213	1.5
269.04001	0.9
270.18149	1.6
284.16693	0.8
285.19275	4.0
296.19745	2.3
302.22003	1.2
303.20145	1.5
323.20779	3.9
324.19302	2.2
325.66043	0.9
341.21927	2.5
366.78165	0.9
376.60580	0.9
398.23926	10.8
398.28549	1.0
399.23618	1.1
416.28976	26.9
417.24442	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	416.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68430	0.4
56.96561	1.8
60.05646	1.0
60.96767	0.4
69.07050	1.1
69.81268	1.7
70.06201	0.6
70.06593	10.7
71.04971	0.6
72.08145	1.8
77.00894	0.5
83.06096	0.6
84.04495	1.8
84.08134	3.8
84.96064	0.5
86.09705	32.5
87.10040	0.8
91.68872	0.4
94.25866	0.4
97.06516	0.5
98.97588	2.3
102.03974	0.5
102.05527	0.4
110.07140	0.9
110.97606	0.7
112.02451	0.7
112.08739	2.7
114.10255	0.4
115.08665	0.8
116.07100	0.9
116.98610	0.9
124.06107	0.4
126.07652	0.8
128.05577	0.5
129.06601	0.7
129.10263	1.5
130.03506	0.8
130.09720	0.4
130.74394	0.4
131.01909	0.7
132.10178	1.2
140.08157	0.5
142.07118	5.3
144.08722	3.9
154.07115	2.6
157.10857	1.3
158.09270	0.9
160.08192	6.1
162.09750	3.8
172.08182	22.4
173.06615	2.0
173.08353	1.5
174.09766	0.8
175.11917	2.2
183.15086	0.4
189.10818	0.8
190.09222	3.3
191.07692	1.4
198.09724	0.6
201.00903	1.3
207.11832	1.0
208.10260	2.1
209.13033	0.4
219.01920	1.7
226.09151	0.7
227.16095	0.5
231.02008	0.5
237.02794	0.9
237.14543	0.5
239.16042	2.6
240.14397	2.1
242.15945	0.6
243.02094	0.6
255.02072	0.5
255.15683	1.1
257.17087	6.1
258.15509	1.3
265.02344	0.9
267.15564	2.0
268.14038	0.7
273.16620	1.9
275.18161	7.9
285.16580	24.4
286.14545	1.0
286.16986	1.8
288.20416	0.5
303.17639	100.0
304.17828	8.3
308.47107	0.5
314.09326	2.1
321.18665	8.5
322.18927	0.8
326.19260	1.2
332.10373	1.5
333.10333	0.5
344.10556	0.7
350.58389	0.5
399.23444	0.6
416.25668	8.8
417.12241	0.6
417.24435	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	416.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73993	0.3
52.27978	0.3
55.05510	3.4
56.05040	1.4
57.05799	0.5
60.05641	0.3
61.66629	0.3
63.76529	0.3
67.05489	0.3
69.07063	0.8
69.23115	2.1
70.06595	10.6
71.06878	0.6
72.08154	20.7
73.08485	0.5
74.06061	0.6
75.06432	0.3
82.06581	0.9
83.06100	0.3
84.04516	1.4
84.08143	64.5
85.02934	0.3
85.08462	1.2
86.09706	19.8
87.05537	0.3
87.10026	0.6
89.07116	0.4
94.06604	0.4
96.08067	0.3
98.06041	0.5
101.10783	2.4
102.05532	0.6
110.06065	0.5
110.07160	2.9
111.09197	1.6
112.07620	0.7
112.08736	1.2
114.63523	0.4
115.08710	0.6
116.07104	0.7
120.08112	0.8
125.02355	0.3
127.08701	0.8
129.10237	100.0
130.08743	0.6
130.09770	0.4
130.10612	2.4
133.06056	1.4
139.08707	0.9
141.10222	1.0
143.11824	1.3
152.14441	0.4
155.08218	0.4
156.07649	1.8
157.09758	0.5
157.10916	0.4
157.13359	0.4
158.09244	0.3
169.09636	0.4
171.11229	1.4
175.11949	0.6
179.08470	0.3
183.14934	3.3
183.16161	0.3
185.12946	0.4
189.12314	1.8
189.13905	0.3
191.10623	0.3
195.14972	0.5
197.16573	1.3
199.18190	0.9
200.10516	0.4
211.14552	0.9
214.11940	0.4
224.17624	1.5
228.13765	0.5
228.17061	19.0
229.12001	0.4
229.17517	0.6
240.17165	0.3
242.18814	1.1
246.14630	1.2
252.17340	0.4
256.16672	0.4
270.18112	6.1
270.20700	0.5
271.18442	0.5
282.01227	0.3
300.19193	0.3
317.21902	4.4
323.24490	1.8
341.25455	5.4
416.29083	12.0
417.24277	1.7
417.29446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.0
57.07061	0.7
58.13989	0.5
58.83898	0.7
67.05509	4.0
69.07076	0.8
69.48648	0.6
70.10880	1.7
79.05485	1.4
83.04997	0.8
93.07059	0.8
95.08614	7.0
105.07041	1.4
107.04961	6.2
111.04443	1.4
119.08608	1.0
121.06527	1.0
121.43964	0.6
122.07304	9.1
123.08078	13.2
135.08047	3.0
137.05978	2.1
138.06773	1.7
139.06941	0.6
145.09998	0.7
149.09660	0.8
150.06763	18.7
151.07544	100.0
152.08279	7.3
159.08017	0.7
163.07545	1.4
163.11151	1.7
164.08374	3.4
173.09637	2.7
176.08276	0.9
177.09134	1.6
182.18613	0.6
191.09064	1.2
191.10678	14.6
205.12193	0.8
310.91547	0.6
347.85416	0.6
416.36487	51.1
417.36868	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	416.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77020	0.4
55.05500	1.3
56.02116	0.5
57.07077	0.6
58.83879	0.9
58.92676	0.4
67.05505	2.8
69.07062	1.0
79.05489	1.8
81.07050	1.6
83.05004	0.6
83.08619	1.3
93.00650	0.5
93.07037	1.5
94.07830	0.6
95.08603	7.4
96.08900	0.6
98.22985	3.0
105.07027	1.7
107.04961	4.6
108.05753	0.7
109.06533	1.2
111.04453	1.2
119.08572	1.1
121.06519	1.4
121.10168	0.8
122.07313	6.7
123.08084	11.1
124.08789	0.6
131.08589	0.5
135.08047	3.4
136.26347	0.4
136.82947	0.4
137.05969	2.8
138.06778	0.8
140.72148	0.4
145.10124	1.3
150.06764	18.6
151.07545	100.0
152.08270	7.5
163.07472	0.8
163.11215	1.5
164.08360	3.5
173.09621	1.5
176.08330	1.7
177.09135	2.0
191.10684	16.4
192.11061	0.9
201.76782	0.4
205.12291	0.9
206.12724	0.6
373.31061	0.9
399.32535	1.0
416.36484	85.3
417.37119	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	417.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.6
56.05038	1.9
56.37215	2.1
69.07059	4.5
70.06593	9.8
71.27937	1.8
71.28320	2.1
72.08158	75.6
84.04496	14.0
84.08147	4.9
86.09708	100.0
87.10043	3.6
87.72217	1.7
98.97579	2.1
100.03990	1.8
102.05524	8.9
105.49873	1.7
129.10249	5.1
130.05016	3.3
138.09119	5.9
143.11819	10.2
147.07774	2.2
148.06073	6.4
156.10246	2.9
157.13492	2.0
159.07695	2.0
171.11279	10.4
183.11256	7.7
185.16481	6.2
189.12344	14.3
201.12358	16.8
213.15979	3.4
217.27554	1.8
220.17108	2.1
225.15976	1.9
229.11937	10.3
237.02849	4.3
247.12852	12.7
256.19223	2.4
259.09613	1.9
270.18210	2.9
324.19150	2.3
351.02631	1.8
417.25598	8.3
418.16888	2.4
418.24374	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	417.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37412	0.3
52.58150	0.3
55.05501	1.0
55.11657	0.3
56.05027	0.6
60.04516	0.6
62.06072	0.4
62.85242	0.3
67.05506	0.6
69.03438	0.4
69.07068	6.5
69.76302	1.5
70.06591	6.7
71.04985	0.3
72.08154	11.3
73.08470	0.6
74.06055	0.6
79.05501	0.7
81.07059	1.2
83.86660	0.4
84.04503	1.3
84.08157	1.8
86.09705	100.0
87.05602	0.6
87.09566	0.4
87.10027	2.2
88.03989	1.0
89.06039	1.0
90.85448	0.4
91.05475	0.7
93.07045	0.7
95.08580	0.7
96.08140	0.6
97.06515	0.5
98.09709	0.5
101.07158	0.4
110.07149	1.1
111.08118	0.4
116.07107	0.8
120.08114	1.3
127.08707	0.8
128.07053	0.7
129.10252	1.4
130.06537	0.4
130.08772	0.3
132.10231	0.5
133.08574	0.6
136.07574	0.8
137.07875	0.4
141.10228	1.0
143.11789	10.3
144.12273	0.4
151.70595	0.4
156.10188	0.5
158.09279	0.4
159.11288	0.9
169.13435	0.3
171.11275	5.4
173.12863	0.9
175.11871	0.3
182.03760	0.4
183.11275	0.3
186.12347	0.4
187.10802	0.5
187.14484	0.9
189.12308	2.7
191.57028	0.4
197.12753	0.6
201.12337	5.6
203.13992	1.0
208.23862	0.4
214.11835	0.4
215.13914	1.0
216.12299	0.4
217.12543	0.5
217.15561	0.7
223.10796	0.7
224.11069	0.4
227.17633	0.5
229.11778	2.4
231.17043	0.5
233.14795	0.4
239.17586	0.8
247.12897	11.1
247.15298	0.8
284.19669	1.4
373.40805	0.5
382.29416	0.4
399.29602	1.9
400.30753	2.3
417.23755	2.1
417.30380	3.6
418.24542	1.3
418.31589	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	417.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11276	0.3
56.05036	1.2
57.03442	0.3
57.05817	0.4
60.05656	0.3
62.49043	0.2
64.98221	0.2
65.43564	0.2
67.05486	0.7
69.03444	0.4
69.07071	5.9
69.59923	1.3
69.66588	0.2
70.02980	0.5
70.06590	3.0
71.06953	0.3
72.08155	3.0
74.06080	0.9
75.05614	0.7
79.05483	0.3
81.07040	0.3
84.04518	0.6
84.08144	1.0
85.02904	0.3
85.04039	1.9
86.09709	100.0
87.10056	2.0
88.03993	2.8
95.04996	0.3
95.08614	0.3
96.08155	0.4
97.06543	0.3
98.02410	0.8
99.05578	0.3
101.07165	0.3
107.64892	0.3
110.02402	0.3
110.07180	0.5
111.08085	0.4
112.08758	0.5
116.07095	0.7
120.08118	0.8
127.04034	0.3
127.05052	1.7
129.10269	0.8
132.10210	2.3
133.06155	0.4
134.08133	0.9
139.07536	0.4
141.10246	0.9
142.12309	0.3
143.11798	6.1
144.06602	0.5
145.06104	2.0
156.10204	1.0
164.29515	0.3
166.08749	0.3
167.07033	1.5
171.11281	2.1
173.05614	2.2
173.09230	0.8
181.05011	0.3
183.11342	0.5
185.12851	0.4
187.14430	0.7
189.12375	1.0
201.12346	6.2
203.14012	0.4
215.13965	0.5
219.33134	0.2
225.17224	0.3
229.11919	1.4
229.15491	1.0
240.13542	0.8
241.11925	0.3
245.18622	1.7
247.12938	1.5
247.16537	0.6
258.14496	4.3
268.16565	0.3
284.19855	0.3
286.13995	3.3
287.13986	0.4
309.65955	0.3
399.29733	0.5
417.17334	26.3
417.30096	0.9
418.17670	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.0
56.05033	3.5
58.06621	2.0
59.54417	1.5
66.83924	1.4
69.07075	7.1
69.98843	1.5
70.06596	7.5
71.28468	2.6
72.08156	83.5
72.68852	1.5
75.24660	1.4
77.98373	1.5
84.04507	11.8
84.08137	3.6
86.09707	100.0
87.10038	2.4
102.05554	11.1
110.07154	2.2
116.07078	1.9
127.12395	1.6
128.10687	2.4
129.10191	7.2
130.04967	3.9
138.09166	4.6
143.11784	13.8
148.06055	9.8
156.10246	4.2
171.11285	13.9
183.11305	11.2
185.16492	4.6
189.12355	15.6
201.12372	17.3
205.11794	2.2
211.10898	2.0
213.16028	3.8
220.16986	3.4
225.16045	2.3
229.11797	10.1
238.18030	3.4
247.12831	12.7
256.19128	4.9
261.14325	1.7
270.18192	5.9
270.20810	2.4
324.19037	2.3
377.01547	1.8
395.73740	1.8
399.25165	2.4
402.24518	1.5
417.26108	13.5
418.24301	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	417.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70605	0.5
55.05523	0.6
60.04528	1.8
69.07066	8.5
70.06590	2.2
71.28996	0.7
72.08164	6.9
75.05602	2.5
82.45509	0.5
83.06129	0.6
84.04498	1.5
84.08141	1.1
86.09711	100.0
87.10049	2.0
102.05518	0.9
112.03973	12.2
120.08156	0.7
123.56131	0.6
129.48457	0.5
130.05008	0.8
139.05057	1.9
141.06673	0.8
143.11804	11.8
154.35551	0.5
156.10278	0.9
159.11465	0.5
169.06047	4.0
171.11319	1.9
183.11345	0.6
187.07080	1.1
189.12416	2.1
201.12367	4.7
224.14104	0.6
229.11765	3.0
231.16975	0.7
254.15004	3.1
265.89764	0.7
272.16083	8.9
300.15469	3.4
370.17889	0.6
399.29453	1.3
417.17017	2.3
417.30136	3.3
418.31830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.05515	11.5
57.03443	7.9
57.03670	1.3
57.07060	7.3
67.05505	56.2
68.05827	1.4
69.04539	10.8
69.07065	11.3
71.04989	1.4
71.08651	2.2
75.01821	1.1
78.13516	1.2
78.46596	1.2
79.05505	18.9
80.31191	1.1
81.03426	1.8
81.07059	69.6
82.07368	2.1
83.08620	9.4
85.06568	2.1
85.10205	1.4
91.05480	11.4
93.07049	20.7
95.04969	2.3
95.08608	60.9
97.06539	5.4
97.10175	3.9
98.44521	1.1
98.98469	100.0
99.08083	3.5
105.07021	9.8
107.08591	11.7
109.06480	1.3
109.10162	28.1
111.08076	2.9
119.08584	6.9
121.10133	12.4
123.08086	1.6
123.11721	13.8
133.10144	6.8
135.11700	7.4
137.09599	2.3
137.13257	7.9
144.60938	1.3
147.11717	7.5
149.13280	8.0
151.14827	7.1
155.01042	99.0
156.01421	1.8
161.13222	5.9
163.14807	6.2
165.16455	5.1
175.14803	4.6
177.16331	2.5
179.17950	1.5
189.16415	4.1
245.22675	19.7
246.23042	1.5
263.23709	48.6
264.24127	4.3
319.57132	1.3
394.23041	1.5
424.68658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09966	0.4
55.05515	6.0
56.05038	2.9
57.05816	1.0
58.06604	1.6
69.07067	10.8
69.07422	1.0
70.02950	0.7
70.06595	13.0
71.04993	0.6
72.08156	82.3
73.08498	1.3
74.06091	5.2
77.42517	0.5
77.74919	0.4
79.05486	0.5
81.07067	0.8
84.04502	2.7
84.08153	1.7
85.04036	0.7
86.09706	100.0
87.05590	1.4
87.10024	3.3
87.54068	0.5
93.07008	0.8
95.06093	0.8
96.08160	0.6
98.02409	0.8
98.06056	0.6
99.05565	0.9
101.07143	4.2
102.05537	1.1
104.07104	5.4
110.02460	0.7
110.07157	1.1
110.09676	1.1
112.03956	1.7
112.07614	0.6
112.08762	2.4
112.42604	0.5
113.07069	0.8
113.10722	0.8
114.09108	0.8
115.08685	2.1
115.09417	0.5
120.08110	13.5
121.08402	0.7
125.10754	1.1
127.05029	1.8
127.08690	0.7
128.10701	2.8
129.10214	2.0
130.06555	0.7
131.11769	0.7
138.09140	1.7
141.10237	1.1
142.12263	4.9
143.11795	1.8
144.07649	0.7
146.11778	0.6
152.10699	1.2
155.11777	2.1
159.09157	0.8
169.13341	0.7
171.11299	1.7
172.07161	1.2
173.09299	0.6
173.12851	14.6
175.11891	0.9
177.10184	2.7
177.65768	0.5
183.11253	3.0
187.10646	0.6
187.14406	9.0
188.07048	0.6
188.14572	0.6
197.10318	1.1
197.12851	18.1
198.13155	1.0
200.13971	0.6
201.12354	8.5
203.13918	25.0
205.09737	0.9
211.10797	1.5
214.12865	0.6
215.13927	9.3
216.14217	0.8
217.15501	0.7
228.13426	1.1
247.12871	0.8
251.17474	1.1
268.20215	0.9
274.11765	1.0
296.16422	0.6
296.19647	8.1
297.20056	0.8
302.11411	0.6
304.18570	1.9
323.31976	0.5
389.09753	0.6
399.28934	1.5
400.30307	2.2
402.24527	2.6
417.09866	2.5
417.17206	0.9
417.22772	2.7
417.30597	3.5
418.23654	0.6
418.31122	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	418.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68394	0.7
55.05510	1.5
56.05034	0.9
57.01538	0.8
57.03438	1.7
58.06591	2.6
61.02921	1.3
67.05505	2.2
68.05036	0.9
69.03433	7.1
69.07059	2.6
69.34242	3.8
70.06602	5.4
71.04974	1.2
72.08168	5.0
73.02927	1.7
79.05499	2.6
81.03433	1.2
81.07042	2.0
83.08588	1.0
84.04471	0.8
84.08129	1.2
85.02914	10.0
86.09702	3.6
87.04498	0.8
87.10017	0.8
93.07053	1.3
94.06583	2.3
95.08632	1.4
96.08127	4.2
96.94665	0.6
97.02892	4.7
99.04446	1.4
105.07034	0.9
108.08120	2.8
109.02866	1.2
110.07138	1.1
110.09698	1.6
118.06917	0.9
120.08090	1.0
122.09674	1.7
127.03931	1.4
145.04921	0.8
154.54599	0.8
170.11786	0.8
192.17424	1.1
202.16017	1.1
218.15381	1.3
220.16991	15.8
220.19000	1.5
221.17242	1.5
238.18028	32.2
239.18358	1.3
256.19101	37.5
257.19357	1.8
418.24326	100.0
419.12854	0.9
419.24692	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37090	1.6
55.05518	4.7
57.03442	3.0
67.05502	17.6
69.03443	5.7
69.07066	5.6
69.88667	6.9
71.05003	2.1
71.08655	2.1
72.04526	5.0
72.88298	1.7
78.95940	1.6
79.05493	9.0
81.03434	3.6
81.07053	27.2
83.08620	6.5
85.02906	17.0
85.06590	1.8
91.05486	5.6
92.77846	1.7
93.07048	22.4
95.08601	5.5
97.02902	6.9
97.06485	3.3
98.23448	2.0
99.08057	2.9
99.85796	1.9
105.07056	2.7
107.08594	14.2
107.12054	1.7
107.93066	1.9
109.02895	2.7
111.08054	2.9
117.07024	2.0
120.08086	3.3
121.10146	6.3
123.11703	8.0
127.03945	2.9
131.08575	5.1
133.10139	8.2
135.11688	5.2
145.04961	4.3
149.13258	22.0
151.11220	2.0
159.11713	9.4
177.12753	5.8
179.42078	1.8
180.08670	6.9
186.12747	1.8
195.13811	34.2
196.14091	2.2
204.13786	8.0
213.14891	4.8
222.14931	16.8
240.15947	100.0
241.16286	5.4
306.92569	1.6
309.10443	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	419.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81162	0.5
55.05507	3.9
55.20550	0.7
56.05036	9.4
57.03435	0.8
57.05398	0.7
57.05822	0.7
58.06604	8.2
59.26714	0.6
60.04530	5.0
60.05653	1.6
65.97971	0.5
69.03431	0.7
69.07070	8.0
70.02944	0.8
70.06200	1.4
70.06590	22.1
71.06917	0.9
71.28876	1.0
72.08157	43.4
73.04048	1.4
73.08484	1.1
74.06081	23.1
83.06122	0.7
84.04502	10.1
84.08156	5.7
85.02903	0.9
85.08481	0.7
86.09706	100.0
87.05617	0.8
87.10037	2.0
88.03968	0.9
96.93562	0.5
98.06024	1.3
98.28093	0.7
101.07144	16.5
102.05556	3.8
104.05322	0.8
108.08137	0.6
110.07155	2.2
110.09682	4.8
112.04080	0.5
112.07635	1.8
112.08727	1.5
112.11266	1.3
113.07127	1.5
115.08671	0.7
116.07099	2.2
120.08121	3.0
122.32921	0.6
126.05560	2.9
128.10713	10.8
129.10245	7.7
130.05008	1.0
131.08267	0.8
132.10211	3.6
136.07623	0.7
140.08153	1.0
140.45560	0.6
143.11778	0.6
144.06580	1.8
145.09749	0.8
147.07722	0.6
153.06625	0.7
154.04996	0.9
155.08133	0.8
155.11768	1.2
157.10902	0.7
159.07619	1.2
161.62480	0.6
162.07613	2.8
171.07715	1.4
173.12862	66.4
174.13190	2.1
175.11908	2.5
183.11264	0.6
185.16562	0.8
187.14383	4.2
189.08711	3.8
189.12321	0.9
195.07712	0.7
197.12779	0.7
201.12341	39.7
202.12668	2.0
203.10367	0.6
203.13994	4.3
205.11879	1.7
206.04767	0.7
213.15973	1.0
215.13937	2.3
217.08189	5.2
219.13391	32.7
220.11583	0.6
220.13695	1.4
221.17389	0.7
233.15022	0.8
240.19659	1.0
243.13461	0.7
261.14352	0.9
265.07315	0.6
269.18777	0.7
270.11053	0.6
288.11902	1.6
288.15329	0.7
314.20865	3.5
335.15048	0.8
383.07437	0.7
394.76746	0.8
401.23874	1.4
419.14786	2.3
419.24481	11.1
420.21411	1.5
420.26373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05512	21.0
57.03432	7.7
57.07067	8.1
57.63988	0.8
67.05504	20.7
68.30343	0.6
69.07067	24.7
69.55692	1.4
69.56095	3.2
71.05000	1.0
71.08632	4.1
79.05495	9.7
81.07056	25.9
83.08148	1.4
83.08621	19.4
85.06529	2.1
85.10178	1.9
90.53256	0.7
91.05467	1.4
91.26315	0.8
93.07036	11.0
95.08605	25.4
97.06532	4.8
97.10172	12.2
97.66956	1.0
98.23401	1.4
98.98466	86.8
99.08105	1.4
107.08588	7.3
109.10157	14.1
111.08054	4.4
111.11726	5.1
116.99547	1.0
121.10136	14.6
123.11693	3.3
125.09624	2.0
125.13271	1.7
135.11684	12.5
137.13263	2.4
139.11197	1.5
149.13246	4.5
151.14778	1.8
155.01038	100.0
163.14818	2.9
164.45952	0.7
165.16380	1.9
167.14409	0.8
177.16380	1.7
191.17929	1.1
247.24202	9.1
248.24643	1.2
255.16893	0.8
265.25269	19.2
266.25739	1.0
385.24561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60506	11.2
57.07066	12.8
67.05503	19.3
69.07069	32.3
69.46582	71.6
81.07048	19.7
93.07111	11.7
95.08617	45.4
105.07072	24.9
171.13794	26.3
251.04774	18.6
270.63443	14.3
307.10977	12.4
389.17438	21.6
404.19925	21.3
419.17398	22.3
419.22787	100.0
419.30792	29.8
420.22769	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22242	0.4
51.65519	0.4
55.01859	1.0
57.07049	0.5
59.47803	0.5
71.08607	0.8
77.13073	0.4
84.12027	0.4
95.39414	0.4
98.19563	0.4
99.00803	0.6
99.04442	4.2
106.96717	0.4
111.04450	3.4
125.05996	11.9
126.06324	0.5
133.29256	0.4
140.67346	0.4
141.05455	4.6
153.05469	100.0
154.05798	2.2
158.43341	0.5
167.07117	0.5
255.73685	0.5
419.35202	25.7
420.35681	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	19.9
59.04996	5.9
69.03432	59.2
70.06602	13.7
70.66946	7.2
72.08166	9.9
73.02932	6.8
74.06107	3.6
79.05489	6.1
81.03419	3.8
84.08144	5.5
85.02907	53.6
86.09729	6.4
87.04472	43.4
91.05483	100.0
92.05811	3.3
97.02891	59.4
105.07042	6.6
107.05000	6.6
115.03925	68.6
117.07029	2.7
127.03935	6.2
133.04959	76.7
133.06493	5.0
133.49728	3.1
145.04959	9.9
150.07596	9.1
161.04558	3.8
222.18549	8.2
223.09627	8.2
240.19620	15.7
241.06998	3.4
258.20737	35.5
259.08240	5.6
327.91800	3.4
384.30994	4.3
402.31967	11.5
420.25818	27.8
420.32901	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86675	3.3
67.05492	3.5
69.03451	5.0
70.06599	40.3
71.28263	4.1
72.08156	8.9
85.02911	25.0
97.02863	6.6
103.05494	7.0
103.33871	3.4
110.07189	4.1
117.07014	9.9
120.08101	5.2
121.10133	3.3
127.23919	3.8
131.04938	19.5
137.05977	100.0
145.06509	32.3
146.05904	5.3
163.07549	64.3
177.09100	24.9
205.08606	50.2
217.11974	5.4
223.09674	57.4
240.19550	5.0
241.10634	5.9
258.07990	6.0
258.20660	8.1
308.90305	3.3
420.25864	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05495	1.1
56.49345	0.4
57.03426	0.8
58.06604	2.0
61.02906	1.0
62.79013	0.4
66.84998	0.5
67.05494	2.4
69.03429	2.4
69.07033	1.8
70.06593	10.0
70.08745	1.4
71.04992	0.5
73.02880	0.7
77.47541	0.5
79.05465	0.9
81.03400	1.0
81.07060	5.2
82.06572	0.6
83.08612	0.7
84.08106	0.5
85.02906	4.7
86.09671	0.7
87.04449	0.9
91.05483	0.6
93.07017	0.8
95.08611	4.4
96.08119	0.8
97.02869	1.7
98.09662	0.8
107.08556	1.2
109.02885	0.5
109.10137	0.9
110.09624	0.4
119.08559	0.6
119.90739	0.4
121.10088	0.8
123.08015	0.5
127.03882	0.9
131.08504	0.5
163.85435	0.4
185.56215	0.4
222.18535	16.7
223.18877	0.8
240.19572	48.8
241.19983	2.8
258.20639	100.0
259.20950	5.6
282.20569	0.4
384.23828	0.9
402.24915	1.6
420.25906	45.1
421.26202	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	421.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.9
56.05034	8.0
57.03425	0.8
57.05817	1.2
58.06608	3.5
60.04517	0.5
61.01149	7.9
63.23222	0.4
68.05029	8.9
69.03435	1.4
70.06592	5.3
71.05007	1.0
71.29603	0.5
72.08157	100.0
73.08485	1.9
74.06075	1.8
79.05489	1.0
81.03394	0.5
81.07057	5.2
82.06583	0.7
83.06105	0.5
84.04502	2.5
84.08136	3.5
85.02914	1.8
86.09727	2.3
87.04469	2.6
88.04008	0.7
91.05494	0.7
93.07082	0.7
96.04484	2.7
97.02879	1.1
98.06071	0.8
100.07595	0.5
101.07147	0.5
102.05566	0.6
104.05322	4.5
105.07054	1.5
109.93250	0.5
110.07182	1.3
110.09705	1.2
112.08736	0.9
113.07132	58.8
114.05565	0.5
114.07500	1.1
115.03967	1.5
116.07109	0.7
119.08598	0.8
120.08110	2.3
124.03992	1.1
126.05544	0.5
127.03955	0.6
129.10225	2.3
130.06622	0.5
130.08627	1.2
130.10709	0.5
132.08188	0.8
132.10252	0.5
133.10155	1.1
134.04463	1.1
141.06599	0.8
147.11673	0.6
158.10054	1.0
161.07455	17.1
175.11151	0.5
189.06931	26.9
190.07338	0.5
193.12239	0.8
203.12198	1.7
207.14009	0.5
211.13283	0.5
224.16515	1.6
231.11630	0.6
233.11319	23.3
234.11707	0.7
242.17511	13.5
243.11635	3.0
260.18585	18.4
260.21268	1.1
267.86798	0.5
288.13678	3.5
421.16992	5.4
421.22861	0.9
422.24265	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
56.05041	0.8
57.83456	0.3
58.06599	0.4
59.86103	0.4
60.04513	1.2
65.03943	0.6
65.32030	0.4
68.99783	0.5
69.03435	0.5
69.62783	1.2
69.63194	0.7
70.06591	100.0
71.06929	2.0
72.08164	1.5
81.03429	0.8
84.04549	0.5
84.08128	0.9
85.02911	1.2
86.09711	2.0
91.05502	1.1
93.07021	0.4
97.02914	0.6
98.23364	0.6
103.05441	1.0
104.05311	0.4
105.03359	0.5
105.07108	0.5
107.04965	1.0
108.03252	0.4
109.02891	0.5
110.07038	0.4
111.04443	0.4
115.05491	0.5
116.07085	0.5
119.04948	1.4
120.06631	2.6
120.08103	37.6
121.02022	0.2
121.02864	7.3
121.08447	1.7
127.08674	62.0
128.07071	0.7
128.09023	1.5
130.05035	0.7
131.04933	0.5
145.02850	0.9
145.06464	0.4
147.04456	0.4
147.11230	0.4
155.08150	53.8
156.08560	1.0
163.03925	0.5
170.39090	0.4
171.04466	0.5
173.05907	0.5
176.01051	1.2
178.21790	0.5
185.05797	0.4
187.03926	1.1
189.01833	3.2
189.05531	0.5
191.03355	0.4
195.07745	0.8
201.01953	0.4
201.05472	0.5
203.03461	1.7
205.04988	0.5
207.02937	1.1
211.03799	0.6
215.03423	1.3
217.13350	2.1
219.02916	0.8
227.03145	0.4
229.04926	1.5
231.02875	0.5
233.04633	0.7
234.06781	0.7
239.03610	0.4
245.12822	1.2
249.12361	2.2
257.04456	1.2
259.07666	0.5
262.06250	0.6
267.13391	3.7
274.15497	5.9
279.06485	0.8
284.14111	0.5
285.04065	0.6
293.08209	0.7
294.05261	4.0
295.05920	2.0
302.14996	9.4
302.18292	0.8
303.15158	0.8
305.08063	0.7
307.06003	12.3
308.06699	5.7
309.07571	1.3
317.08066	0.7
319.06192	1.1
320.06799	1.0
321.07587	3.3
322.08221	1.1
325.07043	1.7
333.07568	1.8
334.08243	0.9
335.05551	0.7
335.09268	0.8
337.07108	4.3
345.07385	0.5
346.17615	0.9
347.09155	3.1
349.06934	1.8
351.08621	1.5
359.09109	0.5
361.07074	1.5
363.08557	0.9
364.18628	1.3
365.10141	1.2
367.08240	1.1
375.08612	6.6
376.08990	0.8
379.08154	0.6
385.07132	0.6
385.18625	1.8
391.08276	2.4
392.08246	0.5
393.09662	2.1
403.08130	7.6
403.19662	3.8
403.31995	0.5
404.08322	0.9
404.18372	0.5
421.09155	33.5
421.20883	2.5
421.25848	1.3
421.33612	0.5
422.09485	4.2
422.24411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.2
56.05054	1.0
58.99121	0.6
60.04535	10.7
60.05654	2.4
60.74517	0.6
68.05051	1.3
70.06596	86.5
70.46333	1.4
71.04997	6.4
71.06944	1.6
72.08163	7.9
74.06100	0.8
81.07083	1.2
84.04529	1.7
84.08153	4.7
85.02895	0.7
86.09692	3.6
87.22421	0.7
88.03962	0.6
91.05486	1.5
93.07048	0.7
95.06099	18.5
95.06702	1.1
95.08596	0.7
97.02911	0.7
97.07652	4.5
98.06059	1.0
102.04521	0.6
102.97855	0.6
103.05453	3.2
104.05318	1.0
105.07084	0.6
110.59309	0.7
111.09163	1.2
112.07592	4.1
112.08743	17.1
113.07124	2.6
114.10297	3.3
115.08701	23.1
116.07111	0.7
120.08115	100.0
121.08456	2.9
127.08701	3.0
129.10240	1.5
130.04985	1.0
130.09772	2.5
132.08112	1.0
138.10260	0.8
139.08682	3.8
139.09660	0.8
140.07170	0.7
140.08197	3.2
146.06010	1.2
154.09761	2.2
155.08163	1.6
157.09731	8.0
157.10878	1.0
175.11917	1.3
180.06903	0.7
182.09247	2.9
188.07100	0.8
199.11977	17.6
205.09700	1.3
206.08107	0.6
211.15523	1.5
217.11769	10.0
218.12004	0.9
222.18535	1.1
223.10793	16.2
223.18886	2.4
240.19537	1.8
241.19923	2.7
242.12859	1.6
248.80537	0.6
256.13034	1.3
258.20526	1.9
259.15491	1.8
259.20975	3.7
274.13931	2.2
301.16556	0.8
305.16211	0.8
305.30499	0.7
318.19260	1.2
322.18793	1.9
329.16083	2.0
346.18719	0.6
362.17087	0.9
364.19769	1.2
385.23920	1.1
403.25061	2.4
421.21667	71.7
421.25922	7.9
421.68405	0.8
422.22168	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03876	0.7
51.12248	0.8
51.19185	0.8
53.03945	1.1
55.01872	3.6
55.05515	10.5
57.03440	9.7
57.07076	34.3
57.22993	0.8
65.03957	1.1
67.05503	12.7
69.03429	1.1
69.07071	11.5
69.61924	3.6
71.04993	2.5
71.08657	1.1
79.05498	10.4
81.07062	24.9
81.07527	1.9
83.04982	3.5
83.08622	3.5
85.06546	17.6
85.07022	1.5
90.23113	0.8
91.05499	6.4
93.07055	13.5
95.04976	3.0
95.08605	18.2
97.06530	3.9
97.10141	1.3
98.23434	0.9
105.07045	8.1
107.08598	12.7
109.06519	17.0
109.07245	1.1
109.10160	7.5
111.04455	2.8
111.08102	3.0
117.07042	1.4
119.08568	7.6
121.06522	1.8
121.10151	6.6
123.08054	12.6
123.11716	3.2
125.05997	3.5
125.09692	1.0
131.08580	2.1
133.10114	6.2
135.08052	16.5
135.11729	4.9
137.05983	20.5
137.09583	1.5
137.13266	1.5
137.86513	0.8
138.06860	0.7
139.07549	2.8
143.08601	1.6
145.10153	3.7
147.11690	4.8
149.09654	3.9
149.13289	3.2
151.07509	6.0
151.11195	3.5
153.12740	2.0
157.10205	1.5
159.11688	2.9
161.09630	2.8
161.13316	3.7
163.11182	0.9
163.14813	1.9
165.09128	1.5
165.12766	7.9
171.11693	1.3
173.13330	1.2
175.11208	1.2
175.14766	1.2
177.09193	1.2
177.12753	7.8
179.14291	4.5
181.12186	1.4
187.14867	1.9
189.12787	2.2
191.14374	2.5
193.12234	2.1
193.15794	1.1
194.13025	1.0
195.13814	1.0
201.00627	0.8
205.15942	1.3
207.13809	9.3
233.19087	2.2
247.40956	0.8
249.18423	1.3
260.13785	0.8
261.18533	1.1
263.20004	5.3
277.18243	1.7
278.57761	1.1
289.85742	0.8
291.19427	1.2
291.26917	1.0
301.25208	1.0
305.24677	2.1
319.26318	13.0
320.26749	1.4
329.24747	3.5
337.27365	5.1
347.25803	100.0
348.26184	5.8
365.26859	20.3
366.27261	1.9
374.76617	1.0
393.29971	12.0
403.28564	2.9
421.29492	51.7
421.34073	1.8
421.78680	1.2
422.29794	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
55.01867	8.7
55.05510	18.7
57.03443	11.7
57.07080	12.3
67.05506	31.3
69.03407	1.8
69.07066	34.5
71.04984	4.1
71.08617	3.6
79.05496	25.3
81.07058	44.8
83.04981	5.2
83.08629	10.3
83.09091	1.6
84.08130	1.8
85.06548	9.8
91.05487	16.5
93.07043	34.7
95.04971	4.8
95.08612	39.3
96.08943	1.8
96.89753	1.3
97.06534	14.7
97.10195	2.3
98.98445	1.4
99.08087	1.7
105.07033	16.1
107.08595	38.6
109.06528	21.1
109.10151	13.9
111.04453	9.0
111.08085	7.1
111.11692	1.6
117.07012	4.0
119.08586	15.9
121.06534	3.2
121.10151	15.4
123.08065	17.6
123.11674	6.6
125.05975	8.5
125.09679	2.1
129.06976	1.7
131.08583	7.1
133.10143	11.0
135.08049	31.4
135.11681	19.3
137.05989	21.5
137.09630	4.2
137.13263	3.5
139.07503	1.9
143.08553	3.9
145.10139	10.8
147.08058	1.4
147.11688	8.5
149.09628	4.7
149.13263	6.3
151.07568	10.0
151.11176	3.1
153.12727	4.7
157.10127	3.9
159.11705	7.7
161.09618	4.4
161.13251	5.7
162.10397	1.9
163.11177	5.1
163.14824	2.2
165.09149	1.6
165.12782	6.5
167.14323	3.8
171.11621	2.5
173.13364	3.1
175.11240	3.3
175.14825	3.3
177.12753	8.3
179.14297	6.3
181.12250	10.9
185.13319	1.9
187.14841	5.0
189.16406	3.1
191.14278	2.8
193.12201	2.7
193.15939	1.6
195.13802	1.9
197.13293	1.6
199.14911	2.1
199.29370	1.2
201.16405	3.5
203.18008	1.6
205.15797	1.5
207.13876	2.1
215.18025	2.2
217.14348	3.7
219.17453	1.9
221.19049	5.4
229.19550	1.5
233.18993	1.6
235.20598	4.3
245.19194	1.6
249.18533	1.5
263.20059	5.7
287.23624	2.8
291.19696	2.0
301.25314	2.2
303.26868	3.5
305.24738	87.5
306.25204	7.1
319.26294	28.8
320.26590	2.4
329.24738	8.5
337.27161	2.6
347.25790	100.0
348.26184	8.7
363.19330	4.0
365.26834	11.0
393.30142	8.5
403.28531	4.7
403.33514	2.9
421.12820	5.1
421.24146	7.3
421.29422	39.2
421.34644	10.6
422.13718	2.3
422.29758	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01857	6.7
55.05510	17.3
57.03441	9.1
57.07074	11.2
57.82843	1.1
65.03951	1.2
67.05505	30.5
69.03420	2.5
69.06680	1.5
69.07068	34.3
71.04986	4.7
71.08633	3.2
79.05489	21.8
81.07054	36.7
83.04986	5.9
83.08624	8.0
84.90443	1.3
85.06538	10.2
91.05478	14.7
93.07040	30.8
95.04988	3.7
95.08600	30.3
95.09166	2.3
97.06535	15.2
97.10182	1.9
98.22586	4.0
99.08090	2.0
103.05477	1.1
105.07030	15.6
107.08597	30.8
108.08936	1.5
109.06519	21.8
109.10163	13.4
111.04453	6.6
111.08077	5.7
117.07027	3.0
119.08579	13.3
121.06516	1.9
121.10157	11.7
123.08063	14.8
123.11691	2.8
125.05978	6.6
125.09624	1.9
131.08566	4.7
133.10110	8.7
135.08047	40.5
135.11688	18.0
137.05969	17.4
137.09637	3.3
137.13300	2.8
139.07565	2.0
142.07787	1.4
143.08528	2.5
145.10107	8.0
147.11678	10.0
148.85046	1.1
149.09596	5.1
149.13287	3.8
151.07544	7.3
151.11185	2.6
153.12668	5.6
154.41386	1.2
157.10109	2.8
159.11702	5.1
161.09581	5.6
161.13289	4.7
163.11176	4.9
163.14816	2.7
165.09065	2.0
165.12764	7.3
167.14311	2.1
171.11681	2.6
173.13278	2.7
175.11182	3.0
175.14842	1.9
177.12700	10.6
179.14296	6.5
181.12236	9.9
183.11632	1.3
185.13234	1.9
187.14821	2.6
191.14323	3.2
193.12202	2.4
195.13820	1.5
199.14925	1.5
201.16264	1.3
203.17943	1.3
205.15984	2.1
209.68565	1.1
213.16423	2.2
217.14319	2.2
221.19009	5.9
229.26976	1.6
233.19061	1.3
235.20607	3.9
241.19485	1.3
263.20105	5.4
277.21695	1.7
282.65598	1.2
287.23544	2.9
291.19586	1.4
303.26666	1.6
305.21558	2.5
305.24713	76.1
306.25079	7.2
319.26282	27.5
320.26477	2.5
329.24747	7.8
337.27316	2.4
347.25797	100.0
348.26166	10.5
363.19339	3.4
365.26849	10.7
385.53992	1.6
393.29974	6.9
403.28473	3.9
403.33301	1.2
421.13092	2.7
421.23917	8.4
421.29431	45.6
421.34671	6.0
422.14145	2.1
422.29742	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	421.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05281	0.6
55.05505	4.3
57.07076	76.2
58.07412	0.8
63.77020	0.6
69.06773	0.8
69.07072	6.9
69.72806	3.0
70.11458	0.6
71.08633	65.3
72.08977	1.1
73.06547	2.4
79.05505	0.6
81.07050	1.4
83.08614	2.8
85.10183	40.5
87.04452	1.6
89.06031	100.0
90.06352	1.8
90.23127	0.5
93.07041	0.8
95.08591	1.0
97.10160	1.7
99.11720	5.2
105.07008	0.8
107.07069	2.7
107.08582	1.3
107.39870	0.6
109.10160	1.5
111.11724	3.2
113.13282	3.5
117.09141	1.4
119.08568	1.0
121.10175	0.7
125.13278	1.9
127.14844	1.8
130.08636	1.8
133.08606	50.2
134.08972	1.4
135.11600	0.9
149.02336	3.8
151.09630	3.4
153.82410	0.6
157.10103	0.7
177.11243	9.4
195.12260	3.4
239.14902	16.9
240.15259	1.0
244.24414	0.6
271.26031	0.6
313.44305	0.6
316.20267	0.6
333.40695	0.7
341.26715	2.5
421.29910	0.9
421.35117	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
65.94120	3.8
66.85482	3.4
67.05507	8.5
69.03448	6.9
69.61344	14.8
69.61716	6.9
70.06593	4.1
71.04982	4.4
79.05491	13.6
81.07069	14.1
85.02907	8.2
89.69419	3.6
91.05495	6.3
93.07051	5.6
95.04981	7.8
97.06500	5.6
98.22685	7.0
99.04491	7.6
105.07060	11.6
107.04960	23.3
109.02882	4.2
109.06534	6.0
109.10154	32.6
119.08593	12.2
120.25376	4.3
128.06215	5.3
131.06966	3.5
133.10150	11.7
136.02847	3.6
137.09624	46.4
143.08571	14.5
147.08028	23.7
161.09627	97.3
162.10014	3.9
165.09132	100.0
165.10475	6.7
166.09549	6.6
173.39195	4.1
179.10651	13.8
189.09094	12.2
195.54550	3.5
205.20148	3.7
207.10170	99.6
208.10521	7.1
225.11235	49.5
232.32808	4.1
235.34361	3.2
246.67130	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.0
67.05470	0.2
69.07073	0.3
70.06596	1.0
70.85673	0.3
72.08171	1.1
72.08500	0.2
74.06078	8.7
79.47260	0.2
81.07039	0.3
84.04504	0.5
84.08139	0.9
86.09705	100.0
87.10015	2.0
91.05475	0.8
93.07046	0.6
95.04929	0.3
98.06053	1.3
99.05584	0.6
102.05506	0.3
102.09123	0.2
103.05486	0.7
105.06992	0.3
112.11266	0.3
112.97004	0.2
116.07102	1.0
120.08102	15.9
121.08430	0.5
126.05503	5.1
129.10252	0.6
131.04987	0.2
134.75714	0.2
136.07576	0.2
139.12338	0.6
144.06580	0.8
146.11833	0.4
166.08638	5.2
167.09036	0.3
180.10231	0.6
183.14955	0.5
187.14516	0.4
195.11270	3.4
211.14409	1.2
215.14070	0.3
231.11310	0.3
233.16617	0.5
239.13890	9.6
240.14223	0.5
249.16243	0.3
257.14963	0.5
279.17044	7.8
280.17236	0.5
312.22537	0.2
360.19159	1.1
413.09769	0.3
422.25256	0.5
423.23801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
55.01845	2.1
55.05495	1.4
55.20434	0.6
56.05035	7.8
56.05829	0.6
56.31849	0.8
57.03408	2.5
58.06602	15.7
60.04491	0.7
61.02910	1.5
67.05476	1.1
67.16480	0.6
68.04992	0.8
69.03432	5.4
69.57845	2.8
69.58242	1.3
70.06586	3.0
71.04950	2.5
72.08154	9.1
73.02889	1.2
73.08441	2.0
74.06056	1.2
75.77490	0.7
76.08241	0.6
79.05501	4.0
81.03398	1.7
81.07059	22.6
82.07388	0.8
83.04951	0.8
83.06067	1.6
84.04469	2.6
84.07708	0.6
84.08141	7.5
85.02900	6.7
86.09653	2.5
87.04470	12.9
91.05484	3.2
93.07015	2.3
95.08580	1.5
97.02859	3.0
97.06489	2.0
97.08899	0.6
98.06062	0.8
99.04436	1.9
100.07653	0.8
103.26194	0.7
103.28305	0.6
105.07049	3.8
105.07634	0.9
107.08559	1.3
109.02867	0.8
110.07143	0.9
110.09629	2.4
111.08102	1.5
113.05945	2.1
113.07130	3.6
114.07462	1.2
115.03929	7.4
119.08538	3.0
120.08111	7.3
125.05959	1.5
126.05544	0.9
127.03860	1.5
129.06956	0.6
129.10262	4.4
131.08502	2.0
133.10110	5.2
135.08035	1.4
136.07588	0.7
137.09610	1.8
147.11639	2.9
151.11143	2.2
157.10020	1.4
161.07430	0.9
161.34413	0.6
165.12741	1.9
175.11189	4.8
182.15376	2.1
189.06946	1.5
193.12209	5.7
206.15321	0.7
211.13295	2.3
224.16447	10.4
233.11371	0.8
234.11563	0.9
242.17506	60.2
243.17853	4.3
254.69823	0.6
258.10971	0.7
260.18570	100.0
261.18918	7.4
302.19711	0.9
309.22464	0.7
311.81830	0.7
386.21512	1.7
404.22806	2.7
422.18314	1.3
422.23914	26.3
423.23889	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
55.54092	0.3
56.05031	2.8
56.96563	2.7
57.03419	0.4
60.04514	0.4
60.05661	0.4
60.98107	0.4
65.07087	0.3
66.07729	0.4
67.05515	0.6
69.07070	0.5
70.06207	0.4
70.06592	6.3
71.04985	0.4
71.28841	0.7
72.08156	2.0
74.06083	1.2
79.05514	0.3
81.03391	0.4
82.06566	0.9
83.06106	0.7
83.97619	0.8
84.04511	2.7
84.08143	64.0
85.02914	0.7
85.06528	0.3
85.08469	1.1
86.09709	2.6
87.10055	0.5
91.05465	1.0
93.07029	1.3
95.05031	0.3
95.06111	0.5
97.02872	0.4
97.99237	0.4
98.06049	0.6
98.97593	1.4
101.07131	3.0
101.10793	1.4
102.05551	0.7
103.05474	3.4
106.59068	0.4
110.06057	0.5
110.07167	2.2
111.09206	0.4
112.08731	0.6
116.00174	0.4
116.07109	0.6
116.98613	0.5
120.08103	100.0
121.08447	2.5
121.67852	0.3
126.05535	0.8
127.03943	0.5
128.91771	0.4
129.06607	1.9
129.10234	30.9
130.04982	0.6
130.08636	20.7
130.10631	0.7
131.09061	0.4
133.75526	0.3
136.07565	0.8
139.08698	0.4
146.01268	0.5
147.07631	0.8
147.11282	20.5
148.11618	0.5
163.55713	0.4
172.04268	0.7
177.10246	5.6
184.06480	0.7
200.06012	0.4
202.07526	0.7
204.08731	0.4
205.09920	0.5
209.06064	0.5
210.11145	0.3
222.04285	0.4
222.12350	0.6
227.06976	3.6
231.11331	0.5
231.14964	0.7
237.03006	0.4
240.13467	2.4
241.04968	1.0
241.15488	0.8
242.17462	0.6
245.05569	0.8
245.08089	8.0
246.08383	0.5
259.06021	2.5
259.14621	0.4
260.19055	0.6
263.09198	1.8
275.09189	1.5
276.07407	0.6
276.14005	0.4
276.16907	2.5
277.11603	0.4
293.10385	1.8
294.18106	7.8
295.18369	0.6
309.08600	0.7
317.15735	0.5
338.20645	1.3
345.43002	0.4
351.20261	2.8
374.13943	0.9
386.22379	0.5
387.20288	0.6
392.14694	0.7
404.23087	1.3
405.21967	0.5
422.16217	1.8
422.23999	47.6
423.12515	12.6
423.23917	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	422.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49981	4.8
55.05526	6.0
57.07074	36.4
59.79460	4.7
69.07066	12.8
69.09783	41.5
69.49887	4.9
71.08630	21.9
75.54585	5.3
79.05522	4.6
81.07055	11.9
85.10186	14.9
89.06036	100.0
93.07059	9.0
95.08600	11.5
97.10131	5.7
97.27802	4.6
107.07034	10.2
109.10175	9.3
121.10149	5.4
123.11712	5.6
133.08594	39.5
169.02620	7.4
177.11272	12.9
186.05852	5.2
195.12274	48.2
252.84219	5.1
295.85468	5.8
404.35968	6.8
405.35684	18.2
422.37094	11.9
423.31720	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	423.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
56.05030	5.1
56.96561	4.0
59.43318	0.8
60.04535	0.9
60.05641	1.7
60.25135	0.8
70.06594	29.5
71.04996	0.9
71.06916	0.9
71.28772	1.0
72.08160	6.1
74.06087	4.5
82.06571	2.1
83.06111	1.5
84.04510	12.4
84.08144	100.0
84.96045	1.0
85.02905	1.6
85.07750	1.0
85.08033	0.9
85.08472	6.5
86.09713	6.6
91.05486	1.8
95.06103	2.0
98.06052	1.4
98.97598	6.6
100.05110	1.0
101.07150	1.5
101.10770	2.8
102.05526	3.1
103.05468	2.1
110.07166	9.9
112.07604	1.5
112.08722	6.4
113.07156	1.4
115.08713	3.0
116.07092	3.1
116.98642	1.8
120.08109	50.6
121.07669	1.3
121.08454	14.6
124.03939	1.1
127.08721	1.2
128.98619	1.6
129.06621	1.9
129.10242	54.6
130.04979	2.1
130.08624	8.9
130.10588	4.0
131.08975	2.7
136.07584	8.1
136.08559	1.3
137.69962	0.8
138.05490	0.9
140.08218	0.9
141.06606	1.0
146.01239	1.5
147.07639	1.8
147.11304	9.2
148.11615	3.0
156.07713	1.8
157.10864	1.2
158.09488	1.1
158.99690	1.4
166.08644	3.0
170.99634	1.1
175.11880	2.1
177.10275	1.6
179.40793	0.9
185.09163	1.4
186.09030	1.3
219.01810	1.7
222.12442	3.1
231.11238	1.3
235.11971	1.2
237.02811	1.9
240.13409	12.6
241.13063	1.9
246.08514	1.2
258.14728	1.0
263.06067	1.3
276.07510	2.8
276.13837	0.9
276.16653	6.1
277.11850	3.5
294.18246	1.7
295.18600	2.3
305.16064	1.4
309.08780	2.6
343.02719	0.9
352.20593	2.0
405.21527	3.5
406.20627	0.9
422.24014	5.3
423.12564	62.7
423.23688	42.9
424.12967	3.4
424.22656	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86604	4.6
55.01888	5.9
55.05540	6.4
58.47300	4.3
61.01149	12.8
70.06599	35.4
72.04517	17.2
72.08159	56.2
78.03806	19.0
84.08140	14.1
85.02922	10.1
86.06085	6.3
86.09721	8.1
88.02230	7.0
99.04459	7.0
102.03768	37.7
103.03949	18.8
110.07177	6.2
115.38285	4.2
120.08098	42.0
121.92949	4.7
126.05507	23.7
127.03910	9.2
129.10242	9.4
130.70000	5.3
131.06383	12.6
132.04759	21.7
136.07602	13.3
149.07448	66.9
154.08624	5.9
167.72482	4.3
175.05461	7.5
177.10289	16.4
180.06593	15.5
198.07622	6.9
205.09743	11.6
226.28433	5.1
231.11632	6.5
275.10422	5.0
275.17358	6.2
293.11673	100.0
294.11899	9.4
304.16364	5.8
405.16901	40.2
406.16901	5.2
423.24561	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	423.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83394	2.3
52.65391	2.3
56.12336	2.5
57.07084	6.8
65.03951	4.4
69.03906	2.4
69.76727	8.5
70.06590	20.7
71.06931	4.4
71.08637	4.0
88.07635	20.9
88.33785	2.2
89.07999	2.9
98.23354	3.1
102.09177	13.7
103.09499	3.5
129.46127	2.5
130.02863	2.4
149.02350	91.4
149.03448	7.1
150.02681	34.5
150.03764	3.3
193.04985	78.2
194.05315	54.2
256.26404	24.4
257.26709	34.7
278.51935	3.0
284.89169	2.7
422.28940	9.4
423.29388	100.0
424.29803	4.4
437.24847	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	423.2353
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05492	0.5
57.07059	0.3
67.05511	0.4
69.74815	1.2
70.06596	0.7
74.24227	0.2
76.97421	0.3
80.33240	0.3
84.08125	0.3
88.07638	0.5
89.07932	0.4
89.28909	0.3
93.92237	0.3
94.39213	0.3
95.04946	0.3
102.09171	0.6
107.08588	0.4
119.08575	0.3
128.40350	0.3
133.10049	0.3
149.02339	2.4
150.02679	1.0
193.04968	2.5
194.05315	1.8
221.13246	0.3
245.10922	0.3
256.26413	0.6
257.26654	1.4
278.94370	0.3
300.11172	0.2
331.26123	0.3
349.19891	1.0
423.23538	100.0
424.23883	9.6
424.28458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94203	0.9
51.02370	1.7
53.03950	8.6
55.01876	10.1
55.05511	32.1
57.03437	13.5
57.07079	6.0
58.91195	1.0
59.04990	0.9
65.03942	4.2
67.05507	96.3
68.05842	1.4
69.03040	0.9
69.03429	31.7
69.07072	33.1
69.09451	3.3
69.09866	5.3
71.01359	3.6
71.04989	9.2
71.08632	2.2
73.02912	4.6
77.03928	1.4
79.05495	76.5
80.05824	1.2
81.03062	0.8
81.03419	36.4
81.07057	100.0
82.07404	2.3
83.04982	12.5
83.08618	13.1
85.02907	20.6
85.06553	4.3
91.05482	66.7
92.05823	1.4
93.07047	89.8
94.07379	3.6
95.04964	15.7
95.08607	74.0
96.08947	2.1
97.02888	14.3
97.06526	11.1
97.09199	1.1
97.10175	7.0
98.23359	2.3
99.04456	7.9
99.08115	2.9
101.02399	1.2
101.06039	1.0
103.03954	4.1
103.05474	2.2
105.04498	2.7
105.07031	60.6
106.07354	2.5
107.04943	6.3
107.08596	54.0
109.02885	4.9
109.06523	9.9
109.10163	31.5
109.10919	1.6
111.04434	9.2
111.08100	5.6
111.11709	1.5
113.09702	1.5
115.03938	2.8
115.05449	4.9
117.05656	1.0
117.07024	27.7
119.04980	1.3
119.08586	50.5
120.08957	1.1
121.06519	9.3
121.10146	45.0
122.10429	1.4
123.04440	2.9
123.08065	11.3
123.11702	15.0
124.04168	1.0
125.05985	1.9
125.09640	3.8
127.03943	4.6
128.06224	4.4
129.05507	7.6
129.07010	14.3
130.07813	1.6
131.04935	1.9
131.08566	44.5
132.08850	1.3
133.06505	6.7
133.10132	33.9
135.08038	7.8
135.11699	33.2
137.05989	2.3
137.09602	5.7
137.13293	4.3
139.11172	3.0
141.07001	4.5
142.07785	3.3
143.08566	15.7
145.04979	2.3
145.06496	3.3
145.10126	34.0
146.10490	1.2
147.04427	1.2
147.08058	5.1
147.11693	29.6
149.06050	1.1
149.09601	5.5
149.13258	17.3
151.07530	2.0
151.11148	3.1
153.07005	1.4
153.09094	2.2
155.08574	6.3
157.06499	2.5
157.10118	12.2
159.08081	4.4
159.11699	27.8
160.12042	1.4
161.05968	1.5
161.09637	4.0
161.13255	21.2
162.09872	1.1
163.07581	1.6
163.11163	4.0
163.14810	7.2
165.07025	1.5
165.09123	2.0
165.12820	2.1
167.08586	3.6
167.10652	1.4
167.14328	1.0
167.65681	0.9
168.09378	1.1
169.10098	6.9
171.08089	3.3
171.11708	10.0
173.09662	2.4
173.11818	1.0
173.13246	20.8
175.07538	1.3
175.11180	5.8
175.14848	8.6
177.09248	1.1
177.12769	3.2
177.16388	2.0
179.08510	1.3
179.14304	9.3
181.10123	3.0
181.12140	1.1
183.08089	2.3
183.11700	6.4
185.09659	2.9
185.13232	10.6
187.11234	3.7
187.14772	9.4
189.12808	3.8
189.16373	2.7
191.10721	1.3
191.14285	2.5
193.10168	1.2
195.11681	3.9
195.13780	1.5
197.09695	1.4
197.13246	4.4
199.11229	2.3
199.14850	6.3
201.12798	2.4
201.16435	3.3
203.14371	1.6
205.12314	1.1
207.11772	2.0
207.13811	2.1
209.13258	3.6
211.11311	2.1
211.14841	3.6
213.12726	2.3
213.16447	3.1
215.14438	1.4
217.12137	1.0
217.15968	1.3
219.13948	1.2
219.17418	1.5
221.15430	1.6
223.14856	1.3
223.16887	1.3
225.12846	1.8
225.16435	1.6
227.14386	1.9
227.17920	1.8
229.12244	1.4
229.15891	1.1
231.17474	1.0
233.15387	2.3
233.19153	1.4
235.13272	2.3
235.17000	1.7
239.18002	1.1
241.19449	6.6
243.17497	1.2
243.21109	4.8
247.20616	1.3
249.14880	3.4
255.20940	1.1
259.20602	21.8
260.20920	1.0
261.22128	33.1
262.22513	2.5
271.20694	3.0
273.19510	1.3
273.22067	6.6
275.16528	1.2
275.20203	1.7
275.23697	3.3
277.14346	2.7
277.21677	8.3
279.23227	2.2
283.20660	1.2
285.19040	1.3
285.22244	3.5
287.20029	1.2
289.18671	1.3
289.21628	7.2
291.23230	6.3
295.20596	1.3
297.22299	1.7
301.21643	5.6
303.23169	17.5
304.23557	1.8
309.22177	1.5
313.21686	3.6
315.23230	4.4
319.22754	2.9
321.24088	1.1
323.23804	1.7
327.23169	4.2
331.22702	3.1
331.26370	4.5
341.24652	4.9
345.24234	3.7
351.23178	5.5
357.24121	1.6
359.25906	2.4
363.25256	1.4
369.24203	19.3
370.24640	1.5
387.25223	20.0
388.25516	2.1
405.26355	22.4
406.26343	1.9
423.26584	16.1
423.31656	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95001	0.8
53.03934	1.3
55.01860	1.8
55.05508	7.5
57.03424	3.3
57.07063	3.0
67.05501	12.0
69.07065	12.7
69.13483	1.3
69.13893	4.9
71.04981	1.9
71.08618	2.9
73.93549	0.8
79.05492	6.1
81.07056	17.9
83.04972	1.9
83.08614	4.9
85.06538	2.0
91.05474	4.2
93.07039	9.5
95.04948	1.4
95.08605	16.0
95.09226	0.7
97.06516	2.7
97.10151	1.3
99.08061	1.1
105.07022	6.9
106.48000	0.7
107.08595	11.3
109.06517	13.9
109.10153	6.0
111.08081	2.5
114.92026	0.7
119.08567	7.0
121.06458	0.9
121.10122	5.9
122.07309	1.2
123.08064	64.7
123.11710	2.7
124.08405	1.7
125.09615	1.0
131.08566	1.9
133.10123	5.4
135.08051	11.1
135.11674	2.0
137.09634	4.5
137.13292	1.2
145.10129	3.5
147.11700	4.1
149.09618	3.8
149.13278	3.1
151.11160	1.1
157.10112	1.0
159.11684	2.9
161.09550	0.7
161.13220	1.8
163.11224	1.0
165.12695	1.8
167.14346	1.0
171.11588	0.7
173.13193	1.2
175.14844	1.4
177.12718	5.3
179.14308	32.6
180.14665	1.1
193.15883	1.7
205.15846	0.9
233.19005	1.5
243.77292	0.7
245.68790	0.8
247.20586	2.0
263.20102	2.0
275.20084	4.8
289.25284	1.7
293.21060	4.6
303.26752	6.2
331.26282	39.7
332.26517	4.2
344.64044	0.8
349.23288	1.3
349.27353	12.9
350.27884	1.0
367.24966	3.0
405.30035	1.7
423.31039	100.0
424.31351	11.2
425.50650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05515	6.0
57.03438	3.4
57.07068	3.9
59.65012	0.7
67.05514	9.6
69.03397	0.8
69.07069	10.1
69.83368	3.6
71.04987	1.7
71.08645	4.4
79.05492	9.8
81.07057	16.6
83.04997	1.1
83.08610	4.7
83.44233	0.8
85.06549	2.8
87.04074	0.8
91.05467	5.2
93.07039	10.3
95.04980	1.5
95.08607	13.2
95.25310	0.9
97.02924	1.6
97.06528	2.7
97.10186	1.6
99.04483	1.3
99.08117	1.8
105.07037	6.9
107.08612	8.0
108.55262	0.8
109.06522	17.6
109.10143	6.2
111.08097	1.9
119.08583	6.1
121.10149	6.2
122.07321	1.4
123.08073	59.0
123.11724	2.6
124.08409	1.9
127.03922	1.1
131.08542	1.3
133.09268	1.1
133.10121	5.7
135.08061	10.6
135.11684	2.8
137.09586	3.4
137.13295	1.3
145.10133	3.0
147.08228	0.8
147.11687	3.3
149.09631	4.1
149.13248	1.8
151.11208	1.1
159.11736	1.9
161.13284	2.5
163.11195	1.1
165.12767	1.1
167.14342	1.6
169.16946	0.9
173.13290	1.1
177.12755	3.6
179.14316	60.5
180.14680	3.1
193.15880	1.7
205.15874	2.6
233.19089	1.7
261.22101	1.2
263.20132	1.6
275.20084	4.2
293.21127	3.5
303.26791	5.0
313.25235	1.0
331.26282	41.5
332.26675	4.1
349.27347	10.2
367.24738	1.7
389.26224	1.0
405.30096	2.9
423.31052	100.0
424.31433	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70771	1.4
53.03939	2.1
55.05515	9.6
57.03437	4.0
57.07065	6.6
67.05505	15.4
69.07082	11.7
71.04977	2.7
71.08634	8.8
71.31597	2.2
79.05483	11.1
81.03412	1.6
81.07055	20.6
83.04964	1.9
83.08614	5.8
85.06522	3.2
91.05489	8.4
93.07040	16.2
95.04986	2.1
95.08598	20.1
97.04162	1.5
97.06537	2.9
97.10167	2.6
98.69981	1.4
99.08096	4.1
105.07006	11.0
107.08604	16.4
109.06520	23.1
109.10168	10.9
111.08144	3.8
117.07006	2.6
119.08585	13.8
121.06526	2.8
121.10129	7.7
122.07283	2.1
123.08072	40.0
123.11687	5.1
125.06005	1.8
131.08577	5.1
133.10129	6.7
135.08052	10.3
135.11723	3.8
137.09601	3.2
143.08559	2.7
145.10118	6.6
147.08112	2.5
147.11684	4.4
149.09578	4.5
149.13255	3.5
151.07585	1.9
151.11197	1.9
157.10124	3.4
159.11696	5.3
161.13310	2.8
166.31113	1.6
169.10071	1.7
175.14853	3.0
179.14310	94.9
180.14682	4.5
189.12711	1.7
193.15941	2.5
201.16490	2.8
205.15907	4.5
284.57635	1.5
291.95917	1.6
295.47836	1.6
303.26929	3.1
306.14249	1.5
331.26312	41.5
332.26538	4.3
333.26913	1.6
349.27402	9.5
366.03452	1.7
405.31006	3.2
423.15314	10.6
423.31107	100.0
424.15042	4.8
424.31262	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01862	1.1
55.05518	5.8
57.03439	1.9
57.07074	5.5
67.05507	8.7
69.02959	6.5
69.07069	8.6
69.31397	0.7
71.08640	4.8
75.07484	0.7
77.42702	0.7
79.05489	6.8
81.07063	14.2
83.05000	1.2
83.08632	3.7
85.06548	3.0
91.05482	3.8
93.07048	9.3
95.04983	1.1
95.08607	13.5
97.06554	2.4
97.10200	1.1
99.08094	2.8
99.66080	0.7
102.47788	0.7
105.07037	5.8
107.08598	7.6
109.06516	19.3
109.10133	3.8
111.08047	1.2
117.07013	1.1
119.08581	6.9
121.06512	1.0
121.10143	5.9
122.07298	1.8
123.08073	39.4
123.11714	1.6
124.08421	1.3
126.15905	0.7
129.07021	1.0
131.08580	1.7
133.10172	4.0
135.08083	8.5
135.11720	2.1
137.09532	3.5
143.08591	0.9
145.10129	3.0
147.11697	2.4
149.09622	2.2
149.13275	2.1
157.10104	1.1
159.11726	2.5
161.13309	1.3
163.11218	1.2
163.14844	1.1
165.12828	2.0
167.14243	1.4
169.10176	0.9
173.13301	1.1
175.14812	1.4
177.12762	1.9
179.14314	85.4
180.14630	4.4
191.14217	1.2
193.15906	2.3
205.15860	3.9
233.19000	1.6
250.24617	0.8
263.20184	1.5
268.85010	0.8
275.20123	2.9
293.21140	1.8
303.26819	3.7
313.25363	1.2
331.26300	42.9
332.26517	4.1
349.27365	11.9
350.27774	1.3
367.24780	1.9
405.25018	1.0
405.29971	3.0
406.30603	0.7
423.14429	4.3
423.31046	100.0
424.15234	1.8
424.31332	11.7
441.11075	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.7
55.05516	6.2
57.03434	2.9
57.07080	3.7
67.05508	10.8
69.03435	1.1
69.07073	9.3
69.32760	3.4
71.05003	1.4
71.08624	2.8
75.04491	0.9
79.05490	6.8
81.07063	16.5
82.07456	0.6
83.04991	1.0
83.08625	4.4
83.80427	0.6
85.06541	1.3
90.51977	0.5
91.05494	3.9
93.07048	9.6
95.04984	1.6
95.08618	13.3
96.10382	0.6
97.02884	1.6
97.06536	2.5
97.10200	1.6
99.04475	1.2
99.08102	2.4
105.07037	7.5
107.08599	9.6
109.06525	16.1
109.10163	5.9
111.08109	2.0
117.07027	1.1
119.08593	7.4
121.06483	1.1
121.10162	5.8
122.07274	1.6
123.08073	52.5
123.11722	2.2
124.08405	1.1
125.09615	0.7
127.03950	0.7
129.07054	0.7
131.08571	2.3
133.10141	4.2
135.08055	13.2
135.11702	2.7
137.09605	3.4
137.13274	0.9
143.08540	0.9
145.10118	3.7
147.11679	3.1
149.09612	3.2
149.13284	2.7
151.11214	0.8
159.11670	3.7
161.09639	1.0
161.13261	3.1
163.11198	0.9
163.14822	0.7
165.12769	1.1
167.14394	1.0
167.84077	0.6
171.11638	0.8
173.13313	0.9
175.14888	1.5
177.12761	4.6
177.16345	1.0
179.14316	52.4
180.14705	2.1
187.14867	1.1
191.14252	1.1
193.15955	1.6
205.15921	2.5
218.89149	0.6
229.19519	0.8
233.19055	1.6
247.20615	1.5
263.20087	2.2
275.20065	5.6
289.25314	0.7
303.26855	5.9
313.25229	1.6
331.26321	45.2
332.23199	0.7
332.26471	3.1
349.27515	1.9
367.24814	2.9
405.29968	1.5
423.31076	100.0
424.31354	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.0
57.03450	2.7
57.07061	3.8
60.30943	1.6
67.05511	14.9
69.03416	1.8
69.07069	16.8
69.70832	6.7
71.04981	3.0
71.08641	2.0
79.05485	11.3
81.07053	20.3
83.04971	2.3
83.08618	6.7
85.06530	2.8
87.79550	1.4
88.64407	1.4
89.06033	3.3
90.11201	1.5
91.05493	7.9
93.07045	15.9
95.08605	21.0
97.06551	3.6
97.10179	2.3
105.07033	14.1
105.76260	1.5
107.04971	1.6
107.08598	16.2
109.06519	9.2
109.10143	12.8
111.08129	3.3
111.11700	1.8
117.07028	2.6
119.08568	11.2
121.10144	10.3
123.08070	55.5
123.11692	4.4
124.08482	2.3
131.08562	5.6
133.08635	2.1
133.10120	12.0
135.08061	13.7
135.11705	6.8
137.09575	3.9
143.08618	2.0
145.10135	9.8
147.11719	6.4
149.09657	4.2
149.13232	4.7
157.10095	3.0
159.11731	6.1
161.13324	2.6
163.11244	2.0
171.11742	3.4
173.13235	4.7
175.14807	3.3
177.12796	6.6
179.14330	22.1
187.14803	2.9
189.16318	1.7
191.22906	1.6
199.14880	1.6
205.15956	1.8
233.18886	1.7
239.14833	2.0
275.20059	6.1
303.26669	7.4
331.17566	1.8
331.26303	45.2
332.26675	3.8
367.24677	2.6
423.31094	100.0
423.35806	3.8
424.31589	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
57.07069	6.5
61.01296	2.1
67.05500	13.3
69.07074	15.1
70.89826	2.3
71.04989	2.3
71.08627	5.1
79.05489	9.7
81.07065	22.9
83.08646	6.1
91.05466	6.3
93.07038	13.5
95.08610	23.8
97.06530	2.5
97.10173	2.9
99.08070	3.5
105.07020	9.5
107.08597	12.7
109.06512	24.8
109.10159	12.1
117.07058	3.1
119.08579	9.3
121.10156	10.9
123.08073	56.6
123.11760	4.0
124.08491	2.1
131.08572	4.8
133.08696	2.8
133.10121	9.5
135.08032	12.0
135.11662	4.0
137.09589	3.1
143.71811	2.4
145.10121	4.4
147.11697	4.7
149.09552	2.4
157.10168	2.3
159.11711	5.1
161.13231	4.0
173.13225	3.8
177.12695	3.7
179.14301	69.2
182.63727	2.1
184.59523	2.3
191.14259	2.8
193.15887	4.5
205.16014	2.7
212.08623	2.4
227.18182	2.9
241.54639	2.5
275.19937	2.6
293.21048	4.0
331.26300	34.5
332.26550	4.2
332.82498	2.5
349.27429	9.8
379.61554	2.1
388.77173	2.2
423.31070	100.0
423.35822	5.3
424.31454	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.09249	0.5
61.31233	0.4
69.42661	3.2
70.06564	1.4
72.08150	2.3
74.89063	0.4
79.05481	0.6
81.07032	1.4
82.16872	0.6
82.17287	0.5
84.08115	0.7
86.09680	0.7
88.66539	0.4
91.05439	0.8
93.07038	0.9
95.04951	0.6
97.83118	0.4
99.04489	0.5
105.07001	0.9
107.08570	0.6
119.08527	0.5
120.08063	1.1
124.54528	0.5
130.40347	0.4
149.09558	0.5
177.80545	0.5
185.04230	9.8
187.13278	1.3
187.26065	0.5
201.14806	1.5
212.08348	0.4
262.14139	100.0
263.14584	4.9
371.43021	0.5
397.18555	0.5
424.19403	79.4
425.19662	6.5
425.25174	4.5
446.62173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
55.05515	7.1
56.05041	7.4
57.03437	29.3
57.07083	3.6
60.04515	5.3
61.01147	12.2
64.65961	3.1
67.05504	18.6
69.03429	88.9
69.07061	9.0
69.67039	14.3
70.06586	25.3
71.04997	4.2
72.08164	9.0
73.02926	6.0
75.04475	3.4
79.05476	8.9
81.03422	12.1
81.07059	11.3
83.04950	3.7
84.04527	3.5
84.08141	13.0
85.02905	68.3
85.06535	5.3
86.09699	32.0
87.04465	67.7
91.05479	8.9
93.07035	7.5
95.04977	10.8
95.08606	90.9
96.08952	3.7
97.02893	74.0
97.10193	3.5
98.06059	12.7
104.05332	12.6
105.07018	5.1
107.04992	3.6
107.08607	7.4
109.02892	6.9
109.10120	4.8
110.07165	6.7
113.09636	14.2
114.09209	3.9
115.03925	95.3
117.07033	3.0
120.08103	32.8
121.08409	4.3
125.09612	5.8
127.03931	12.3
128.68468	3.4
129.10225	9.5
130.59810	3.4
133.04961	100.0
136.07552	10.5
137.05962	5.6
137.09608	14.0
145.04962	12.1
146.06316	21.3
150.07605	14.4
155.10629	7.5
179.10678	4.8
191.10574	3.2
196.09843	6.9
201.12267	7.2
209.11780	6.2
259.08176	4.0
263.14401	4.3
277.09378	3.0
305.15335	13.0
341.15402	7.4
367.13739	4.7
417.12918	3.5
424.20596	3.7
424.26804	3.7
425.17334	9.3
446.50500	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	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.05472	2.3
57.03419	4.3
58.06598	3.9
59.00057	2.3
61.02928	2.6
67.05507	3.2
69.03419	10.3
69.51643	12.5
70.06583	10.3
71.04998	6.1
72.08163	14.7
81.03427	13.8
81.07052	5.3
84.08141	11.0
85.02908	72.2
86.09713	4.6
91.05475	5.0
91.18710	2.7
95.08602	4.1
97.02893	23.5
99.04463	39.0
103.03944	92.1
109.02865	16.9
110.07167	5.9
120.08092	8.5
121.06481	3.4
124.29863	2.5
127.03922	100.0
127.75061	2.3
129.10231	6.6
137.05898	2.5
145.04964	64.7
145.06123	3.9
163.06017	34.9
187.06064	5.0
205.07124	3.5
264.23288	2.5
271.08130	4.5
282.24313	7.3
283.66476	2.3
289.09186	4.2
300.25314	4.6
307.10184	3.9
335.08722	2.4
340.94327	2.7
360.00864	2.7
406.25839	10.6
424.26892	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	424.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.3
55.05515	7.1
56.05041	7.4
57.03437	29.3
57.07083	3.6
60.04515	5.3
61.01147	12.2
64.65961	3.1
67.05504	18.6
69.03429	88.9
69.07061	9.0
69.67039	14.3
70.06586	25.3
71.04997	4.2
72.08164	9.0
73.02926	6.0
75.04475	3.4
79.05476	8.9
81.03422	12.1
81.07059	11.3
83.04950	3.7
84.04527	3.5
84.08141	13.0
85.02905	68.3
85.06535	5.3
86.09699	32.0
87.04465	67.7
91.05479	8.9
93.07035	7.5
95.04977	10.8
95.08606	90.9
96.08952	3.7
97.02893	74.0
97.10193	3.5
98.06059	12.7
104.05332	12.6
105.07018	5.1
107.04992	3.6
107.08607	7.4
109.02892	6.9
109.10120	4.8
110.07165	6.7
113.09636	14.2
114.09209	3.9
115.03925	95.3
117.07033	3.0
120.08103	32.8
121.08409	4.3
125.09612	5.8
127.03931	12.3
128.68468	3.4
129.10225	9.5
130.59810	3.4
133.04961	100.0
136.07552	10.5
137.05962	5.6
137.09608	14.0
145.04962	12.1
146.06316	21.3
150.07605	14.4
155.10629	7.5
179.10678	4.8
191.10574	3.2
196.09843	6.9
201.12267	7.2
209.11780	6.2
259.08176	4.0
263.14401	4.3
277.09378	3.0
305.15335	13.0
341.15402	7.4
367.13739	4.7
417.12918	3.5
424.20596	3.7
424.26804	3.7
425.17334	9.3
446.50500	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	0.8
54.29551	0.5
55.01810	0.8
55.05436	1.2
55.10776	0.5
56.04939	3.3
56.05230	0.7
57.03334	2.8
57.03638	1.2
58.06501	12.8
58.06823	3.4
60.04430	1.5
61.02831	1.4
61.03116	0.8
64.81332	0.4
67.05403	2.7
69.03324	3.9
69.06970	1.6
69.07304	0.6
70.06485	5.8
71.04896	1.8
71.07280	0.9
71.28715	0.9
72.08044	6.7
72.08482	1.2
73.02843	0.9
74.06001	1.0
79.05378	3.2
81.03305	2.0
81.06944	7.4
81.07454	0.8
83.04913	0.5
83.06004	0.6
83.08549	0.6
84.04387	8.1
84.08029	17.2
84.08585	1.7
85.02787	8.4
85.03365	1.0
85.04751	0.5
85.06432	0.8
85.08377	1.3
86.09589	12.0
86.10165	1.1
87.04369	1.0
87.05501	1.2
87.09942	0.6
88.07522	0.7
91.05363	4.6
93.06930	7.5
93.07564	0.6
95.08483	6.6
95.09156	1.1
96.08012	1.1
97.02772	4.9
97.06416	1.1
98.05952	0.8
98.09621	1.1
99.04386	0.8
101.00804	0.7
102.05428	3.5
103.05371	0.8
105.06892	1.9
107.08480	1.9
109.02789	1.2
109.10070	0.9
110.07167	10.0
110.07871	0.6
110.09618	0.9
111.08010	1.3
112.07493	2.4
112.08299	0.7
115.04956	1.1
116.07030	0.5
117.06938	0.7
119.01812	0.8
119.04940	2.4
119.08458	2.1
120.08103	21.1
121.06380	0.8
121.08337	1.6
121.10130	2.3
123.07955	1.0
124.11134	1.1
127.03805	2.3
127.04649	0.5
129.10236	5.9
130.04889	2.1
130.10516	1.0
131.08482	0.8
133.10071	1.2
135.07956	0.9
135.11690	3.5
136.07584	23.7
136.08553	0.9
137.07835	0.8
139.11165	0.5
140.07002	1.0
143.11623	1.5
148.06049	5.8
149.13141	2.3
156.07671	8.7
159.11594	1.8
161.02817	1.9
163.03873	1.3
166.08615	0.6
171.11234	0.6
176.72743	0.5
177.12762	3.3
186.09056	1.8
193.09708	0.7
195.13780	1.0
197.02946	0.6
204.10385	0.6
208.16997	4.9
221.02982	2.4
226.18019	32.4
227.18353	2.1
231.11317	4.8
239.04037	0.8
240.88576	0.5
244.19077	28.1
245.05035	0.7
245.19324	1.3
249.12294	3.8
249.16003	4.5
250.16364	0.7
255.14633	1.2
255.61797	0.5
259.10767	1.8
262.20132	100.0
263.03976	0.6
263.20444	5.6
277.15540	1.3
304.21225	0.6
307.14096	1.2
311.12387	2.5
317.05185	0.5
365.07224	2.0
383.08182	0.9
406.24136	1.0
424.13504	0.9
424.25696	24.2
425.20279	1.6
425.25644	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79488	6.0
55.05508	12.3
62.24212	6.3
67.05505	13.3
69.07069	21.1
70.06590	26.4
71.08638	15.8
71.29929	6.5
72.08152	59.2
81.07053	24.7
83.04984	7.6
83.08640	11.9
84.08161	18.2
85.02955	8.0
86.09705	10.1
91.05489	15.0
93.07047	16.6
95.08602	16.4
99.08090	8.7
100.11317	7.0
107.08596	12.8
109.10186	8.2
110.07182	8.9
111.08070	69.8
119.08575	12.9
120.08111	23.0
121.10123	13.0
123.11690	7.4
129.10286	9.0
133.10141	9.2
137.07108	11.9
147.11678	12.8
151.07494	8.5
155.14311	78.5
157.10126	8.1
173.13408	8.0
183.13802	100.0
187.13361	15.4
201.14883	49.2
284.70776	7.2
326.30823	9.5
327.50684	6.7
406.25558	9.5
439.04263	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31718	5.5
55.05506	12.6
55.22734	5.5
57.03432	8.4
58.06595	6.6
67.05502	7.5
69.03432	10.1
69.07066	17.1
70.06583	42.6
71.04992	8.4
71.07859	9.3
71.08623	14.5
72.08154	35.3
79.05473	6.8
81.07055	19.8
83.04990	6.4
83.07115	5.6
83.08627	11.1
84.08137	29.5
85.02894	14.5
85.06546	13.7
86.09711	22.8
91.05456	11.3
93.07037	14.2
93.61430	5.6
95.08593	12.9
98.09686	7.0
99.04469	7.2
99.08096	10.3
103.03943	14.6
105.07037	13.1
107.08543	10.5
109.02908	7.7
109.03642	6.4
109.10154	8.5
110.07157	9.3
111.08090	80.2
113.72875	6.5
117.07030	6.7
119.08589	11.2
120.08105	24.4
121.02935	5.4
121.08530	6.2
127.03915	8.9
128.10742	6.2
129.10245	9.0
145.04990	10.2
155.14301	100.0
159.07968	6.7
163.05963	6.3
175.51785	7.7
183.13815	66.0
190.10760	9.3
201.14888	26.6
227.16400	7.9
264.23151	8.2
282.24341	19.4
295.05750	9.8
300.25281	28.8
310.50604	6.0
339.56537	5.5
345.66830	7.2
349.07028	6.2
369.67545	7.6
405.68805	7.6
406.25671	11.6
424.19263	9.4
424.26828	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19683	1.3
56.05044	1.5
56.96572	2.1
57.03426	1.8
58.99895	1.1
61.02925	1.7
69.03439	3.3
69.57600	1.6
69.58015	3.9
70.06583	5.0
72.08157	2.9
76.34753	1.1
77.00897	1.2
81.03432	2.4
82.99854	2.2
84.08140	10.3
85.02496	0.9
85.02882	5.0
86.09698	2.2
89.03912	1.5
97.02886	12.6
98.97570	5.7
101.00878	19.1
101.01550	1.1
107.04974	1.5
109.02892	3.5
110.07193	4.2
113.00893	4.0
115.02455	2.4
116.98652	2.7
117.03406	3.0
119.01925	25.6
127.02426	5.0
127.03957	1.2
129.10268	4.4
130.08649	1.3
131.01915	13.2
133.03503	1.5
135.04420	8.5
135.05319	1.4
136.07568	5.7
137.02963	3.2
143.01877	10.2
145.03584	18.5
147.11229	1.7
147.94186	1.0
155.01897	11.6
156.07735	1.6
157.03439	9.4
159.01392	2.4
161.02965	21.6
163.03889	55.5
164.04292	2.2
167.01944	3.6
169.03450	2.4
173.02957	15.5
175.04578	2.3
179.01967	1.7
184.66573	1.2
185.02963	14.4
187.04564	2.8
191.01939	1.1
193.03543	3.6
195.05074	4.0
197.02953	15.0
203.01971	5.4
203.04062	13.5
209.03030	4.4
215.04086	2.2
216.98689	1.8
221.02989	68.7
221.05066	8.3
222.03127	7.0
227.04033	2.5
239.04019	18.0
240.04384	1.5
244.04666	1.4
245.02945	5.0
245.05066	71.1
246.05325	5.9
247.04640	1.2
256.96951	1.1
257.03064	1.3
257.05142	19.7
258.05334	1.2
259.04486	3.8
263.03970	12.4
263.06235	16.5
264.06396	1.7
265.05618	1.7
271.00195	1.1
271.04587	3.7
272.04770	1.4
273.06250	1.7
274.97574	1.4
275.04028	3.2
277.00925	1.2
277.05576	4.0
281.05029	13.7
283.00024	1.4
287.03961	2.5
289.05414	2.3
293.05258	1.3
295.06763	6.7
298.97726	1.2
299.04071	3.8
301.01068	2.9
304.27750	1.2
305.05081	11.1
307.06595	7.8
309.08646	1.6
317.05048	15.0
323.06061	5.3
325.07617	3.3
335.06003	6.0
347.06229	3.7
353.07040	1.3
365.07166	100.0
366.07343	10.2
383.08252	38.4
384.08582	3.9
425.09293	2.2
425.20520	2.0
443.02472	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	0.7
67.15632	0.5
70.06593	2.1
71.27803	0.5
71.28208	0.7
72.08149	0.6
73.73895	0.5
76.62513	0.6
82.99873	1.7
83.59995	0.5
84.04504	0.6
84.08138	1.1
94.57185	0.5
97.02903	1.3
101.00879	16.3
108.02494	0.5
109.02865	0.9
110.18293	0.5
113.00880	2.9
119.01920	26.6
120.02019	1.6
120.08175	0.8
122.07175	0.5
127.02406	2.4
129.04015	0.9
131.01909	9.8
133.03459	0.7
134.99934	0.5
136.07552	1.2
137.00851	0.6
137.02937	2.6
139.02386	1.7
143.01889	31.4
144.01988	1.5
145.03467	10.0
146.03694	0.8
147.01369	1.0
149.02962	1.3
155.01886	13.8
157.03484	5.9
161.02954	51.6
162.03050	3.1
163.04549	1.2
167.01880	8.0
169.03502	4.0
171.05031	2.3
173.02960	21.9
174.03096	1.9
175.04488	1.8
175.11917	2.0
179.01848	2.7
179.04086	1.2
181.03474	0.7
184.04530	1.0
185.02951	33.7
186.03079	1.9
187.04514	4.6
191.04027	5.0
197.01144	0.8
197.02963	13.6
198.03120	1.6
203.02211	1.2
203.04004	16.2
204.04111	1.5
208.04639	0.8
209.02979	1.7
215.04008	6.9
219.02174	0.7
221.03006	1.2
221.05054	2.8
227.03998	8.1
231.03474	0.6
233.05121	0.8
239.04007	1.3
243.01950	0.7
245.05061	100.0
246.05247	8.2
250.89578	0.7
250.92020	0.9
251.03008	2.2
255.05293	2.3
257.05084	5.7
263.06128	24.8
264.06158	2.6
275.02673	1.0
275.06085	12.4
276.06308	0.9
278.91586	2.0
281.03207	0.5
283.05066	1.5
286.07516	0.8
293.03967	1.0
293.07138	3.8
305.07162	9.5
306.07443	1.5
308.92715	1.2
309.02991	1.5
311.04596	0.9
313.12091	0.6
320.92642	2.1
327.03931	0.7
335.08249	2.2
337.02573	0.8
355.03452	1.3
363.07544	1.5
365.09665	4.9
407.07120	0.8
415.60315	0.6
425.11456	2.1
425.18491	1.0
443.01596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.142
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
57.50728	0.7
58.06597	0.8
69.07307	4.5
70.06573	3.2
73.22258	0.6
86.09694	1.4
90.17008	0.7
103.84978	0.7
136.07564	1.4
242.42403	0.7
312.15237	0.8
408.49750	0.7
425.14001	100.0
425.23557	3.2
426.14462	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	425.1569
Annotation	Eprosartan
Peak:m/z	Relative Intensity
70.06596	33.8
72.08146	3.3
78.40607	1.3
84.04520	1.8
84.08151	3.3
86.09694	11.8
91.05463	2.5
95.89249	1.4
98.23304	3.4
98.97544	2.2
101.07159	1.6
110.07163	5.0
120.08086	5.9
127.03975	1.9
136.07579	7.7
136.51424	1.4
137.07861	3.8
140.65976	1.6
154.83194	1.4
183.14952	4.7
210.05280	1.6
211.10318	1.5
211.14394	3.1
215.13878	4.8
266.12088	2.1
295.05756	1.7
309.21848	1.6
312.19116	6.0
323.11713	1.7
340.44138	1.8
407.18851	1.8
425.15619	100.0
425.24011	8.6
426.15952	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	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07051	0.3
53.26086	0.3
55.05509	0.6
56.05029	0.7
58.06595	0.4
64.57402	0.2
69.03442	0.4
69.07056	0.2
69.83055	0.2
70.06590	6.6
71.06918	0.3
71.29072	0.4
72.02430	0.3
72.08150	3.8
72.79996	0.2
74.06065	0.5
75.71053	0.2
83.06092	0.8
84.04504	1.3
84.08138	2.2
85.02902	0.7
86.09704	4.9
87.10046	0.4
91.05446	0.4
93.04512	0.4
95.06087	0.5
102.05515	0.5
103.05500	0.3
109.02847	0.3
110.07164	10.2
111.07574	0.2
112.08729	0.6
113.07131	0.4
115.08679	0.6
116.07089	0.7
119.01992	0.3
120.08095	1.7
122.05994	0.3
122.07186	0.2
123.04415	0.3
124.07541	0.3
127.03924	0.4
129.10229	1.9
129.47090	0.2
136.07536	1.4
138.06625	0.5
143.11797	0.5
152.00282	0.2
152.03227	0.3
156.07695	0.8
163.03908	0.4
185.16553	0.5
195.08817	0.5
213.12439	0.5
215.13831	0.3
221.02965	1.6
223.10721	0.3
223.15416	0.3
230.66939	0.2
245.02853	0.4
251.15024	0.4
255.12837	0.5
264.16821	0.8
269.16022	1.2
276.14621	0.5
294.15604	0.3
296.15887	0.4
310.17413	0.9
347.06116	0.4
354.19952	0.9
365.07028	0.6
390.21576	0.4
425.17810	100.0
425.23587	6.4
426.18127	8.3
426.23828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
56.96559	4.2
67.05491	4.4
69.07069	3.1
69.89283	6.4
69.89669	4.0
70.06570	7.8
75.27636	2.3
81.07024	6.9
83.04964	4.8
83.08627	4.1
84.08122	2.7
91.05474	6.1
93.07048	5.9
95.04946	3.3
95.08604	4.6
100.11234	5.0
105.07018	4.3
107.08610	3.6
109.10147	3.6
110.07165	8.9
116.07124	2.5
119.08576	3.0
123.08069	2.8
123.92935	2.7
125.05978	3.2
135.08038	3.5
145.10046	3.0
157.10094	3.1
165.09126	3.7
211.15016	2.8
239.11726	3.1
325.16870	3.1
333.13699	5.9
351.14734	21.1
369.15851	6.2
385.09399	2.8
407.25116	3.7
425.19299	100.0
425.25653	5.6
426.19754	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	425.2303
Annotation	Adunctin E
Peak:m/z	Relative Intensity
67.31489	6.9
68.58370	6.7
69.86076	25.0
70.35319	6.9
99.65952	8.5
108.24673	7.3
110.74322	7.7
220.67432	7.9
259.12207	9.9
369.19788	15.6
372.05399	9.4
425.22955	100.0
426.23587	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	425.23
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94101	17.5
66.92498	15.7
67.66192	14.9
69.57027	81.3
81.98002	15.6
86.01311	17.1
96.60707	16.2
113.09058	16.5
114.73672	16.6
158.86148	19.2
182.74286	18.4
236.71089	17.0
269.46985	18.5
273.45554	18.6
277.17542	16.2
351.18512	21.5
425.22922	100.0
431.58054	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13575	12.5
54.98925	12.4
55.05513	18.4
57.07075	28.4
67.05492	40.1
69.07081	24.4
79.05486	17.6
81.07053	47.7
83.04967	17.8
83.08643	20.8
89.06036	29.7
91.05486	21.3
93.07034	28.9
95.08627	48.8
98.22577	31.8
105.07044	28.7
107.08598	30.6
109.10163	50.1
113.00025	29.3
116.38261	12.1
119.08591	21.2
121.10117	29.9
123.11669	15.0
124.63728	13.0
133.08676	18.7
133.10193	17.4
135.11665	14.2
145.10081	17.1
159.11665	14.2
169.02632	33.5
171.11656	15.0
255.65030	13.0
393.23880	100.0
425.21445	34.4
425.26508	30.7
425.33868	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29187	11.7
55.05516	65.0
62.06488	11.6
62.53574	10.6
67.05503	41.9
69.03439	23.9
69.07067	22.3
69.73499	61.0
70.06569	17.1
79.05501	40.0
81.07061	47.2
83.04970	19.3
83.08630	68.8
91.05481	36.4
93.07066	73.1
95.04977	64.2
95.08604	58.1
97.06514	27.6
98.22701	15.7
101.34429	15.0
103.05505	16.8
105.07034	100.0
107.08609	75.8
109.06498	13.6
109.10110	20.4
115.05415	15.5
117.07055	20.4
119.08591	57.4
121.06479	18.1
121.10146	27.9
125.09652	28.5
129.06955	14.2
130.07779	14.1
131.08546	38.2
133.10168	20.3
139.11176	14.6
143.08604	27.2
144.22523	13.0
145.10118	92.9
147.11710	17.5
151.07568	22.0
155.08551	15.9
157.10127	51.7
159.11751	16.0
169.10173	21.3
171.11673	26.7
173.09662	19.4
183.11700	26.8
194.82611	12.9
195.11678	20.8
206.10883	15.1
211.14793	19.6
221.13385	15.7
229.29625	14.1
239.14264	15.2
298.19199	36.8
355.29861	13.1
386.23895	12.7
407.25708	28.2
425.26431	42.9
425.31949	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	425.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28380	0.4
55.05517	2.3
56.05037	1.9
58.06595	0.5
60.04533	0.4
61.01146	0.4
67.05478	0.4
68.05019	0.4
69.03433	0.4
69.07071	2.0
70.06591	100.0
71.06926	1.7
71.29530	0.4
72.08154	24.4
73.08501	0.6
74.06080	0.6
79.05482	0.5
81.03418	0.7
83.06110	0.7
84.04510	2.0
84.08152	3.3
86.09706	21.1
87.10043	0.5
91.05514	0.4
93.07056	0.6
95.04936	0.4
95.06079	0.4
98.06047	5.9
100.07636	0.9
102.05549	0.6
104.05338	1.2
105.06990	0.5
107.04952	0.4
109.02874	0.7
110.07166	4.9
112.54736	0.4
115.08686	0.5
116.07091	15.8
120.08110	5.6
126.05527	3.2
127.03924	0.7
128.10844	0.5
129.10254	1.7
130.10617	0.4
131.08662	0.3
136.07590	1.6
150.05844	0.4
155.15372	0.4
156.07704	0.7
164.71123	0.3
166.08661	1.2
167.08151	0.8
167.15480	0.7
169.13358	22.1
170.13812	0.8
183.14931	11.2
185.09448	0.5
185.16588	0.5
197.12845	15.5
198.13249	0.8
211.14410	22.4
212.14807	0.9
215.13893	4.7
229.15553	1.2
233.09435	0.5
241.15665	0.4
282.21671	0.7
295.05997	1.0
305.14929	0.4
310.21237	18.0
311.21741	1.0
312.19223	5.6
313.19763	0.4
425.09152	0.5
425.17355	3.0
425.28033	10.6
426.17462	0.4
426.27847	1.4
440.10449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.05507	7.0
57.03447	3.0
57.07071	5.6
60.34637	2.2
61.35050	2.1
67.05508	14.3
69.00574	19.2
69.07075	13.0
71.08627	4.1
79.05489	6.3
81.07054	20.8
83.08620	8.5
85.06533	2.2
91.05475	6.4
93.07064	11.6
95.08616	19.0
97.06544	5.4
97.10181	2.9
101.09751	2.4
105.07056	3.7
107.08594	16.8
109.06534	8.4
109.10176	7.3
111.08068	5.1
117.07039	2.6
119.08607	12.0
121.10149	8.6
123.08078	23.1
132.73759	2.4
133.10191	3.4
135.08130	2.3
135.11705	5.1
147.11697	3.3
154.11671	2.3
167.14377	3.9
179.14308	24.0
193.15820	2.9
277.21701	7.5
333.27881	89.5
334.28372	5.9
407.31650	2.7
425.22177	4.3
425.32617	100.0
426.33154	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.54335	5.7
55.05502	25.4
57.07076	12.4
59.49968	7.2
67.05523	39.8
69.07069	57.8
79.05484	21.3
81.07053	100.0
81.60545	5.8
83.08610	16.5
83.59226	6.7
85.06499	6.8
85.08649	6.6
88.77164	5.8
89.06028	11.0
91.05483	18.6
93.07048	48.4
95.08607	97.0
96.08897	7.7
97.10171	13.7
98.23106	44.4
105.07039	36.0
107.08599	75.0
109.10162	86.3
110.10552	7.4
119.08593	45.5
121.10160	54.2
123.11739	32.3
127.11203	12.7
131.08551	18.4
133.10136	39.1
135.11697	49.2
137.13281	24.8
139.24332	6.1
145.10130	14.3
147.11676	44.8
149.13249	41.5
157.10164	9.3
159.11699	28.0
161.13251	23.6
163.14857	18.4
171.11755	6.9
173.13339	21.6
175.14847	26.0
177.16380	17.1
185.13220	7.1
187.14836	12.0
189.16383	19.9
191.17964	15.6
193.56868	6.5
201.16368	13.3
203.17917	22.9
215.18004	15.3
217.19620	9.9
228.91675	7.2
229.19487	16.9
231.21060	12.0
243.21083	6.4
257.22736	8.9
285.25836	15.0
367.26093	6.5
407.36816	16.7
425.37918	89.9
426.37955	11.2
442.58365	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.56083	2.8
53.03950	2.9
53.49154	3.1
55.05513	24.6
56.90420	3.3
57.07082	19.4
62.02947	2.8
63.96625	3.2
67.05500	40.1
69.07069	62.0
71.08624	9.0
71.29938	3.5
71.82200	3.6
79.05491	22.4
81.07059	72.5
83.08630	22.3
85.06540	3.5
85.10152	3.7
91.05480	20.8
92.47909	3.2
93.07041	52.5
95.08607	100.0
97.10177	9.0
105.07029	44.6
105.33921	3.0
106.36755	2.6
107.08596	54.7
109.10157	64.9
111.11745	5.5
117.07022	8.2
119.08573	49.6
121.10150	55.8
123.11710	28.1
131.08562	21.0
133.10114	37.7
135.11710	34.3
137.13268	19.2
143.08533	5.7
145.10139	25.6
147.11710	44.6
149.13260	24.5
151.14806	3.7
155.08615	3.0
157.10147	7.5
159.11694	15.7
161.13287	34.6
162.13792	3.0
163.14845	19.8
165.12793	4.6
171.11650	10.2
173.13251	18.9
175.14848	17.9
177.16434	15.1
179.14282	4.2
185.13269	3.8
187.14845	17.3
189.16414	14.2
191.17960	8.0
195.40788	3.0
199.14856	10.2
201.16380	12.2
203.17975	11.7
205.15910	3.1
205.19551	4.9
213.16338	5.7
215.17979	7.6
217.19569	12.1
219.21182	7.5
227.17940	7.0
229.19516	5.3
231.21074	10.3
241.19661	4.9
245.22653	12.3
255.21034	6.8
259.20523	3.5
259.24289	6.6
269.22513	5.4
271.24231	4.0
281.22885	2.9
283.24072	5.8
285.25482	4.4
287.23575	3.2
297.25735	6.7
313.25235	5.3
369.31741	3.4
378.73499	3.5
407.36813	28.8
425.21466	3.7
425.32434	5.1
425.37753	89.3
426.38104	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	2.7
53.64706	2.1
55.05508	21.1
57.07074	13.0
65.94798	2.2
67.05499	37.6
69.07064	53.7
71.04993	8.2
71.08625	3.2
79.05485	23.3
81.07050	100.0
82.07390	2.5
83.04967	20.0
83.08607	19.0
85.06544	3.0
85.10149	2.2
89.06037	2.6
91.05463	16.3
93.07037	55.7
95.08604	92.9
96.08929	2.8
97.06532	2.9
97.10163	11.0
99.08102	4.2
105.07024	42.7
107.08589	65.8
109.10149	85.4
110.10504	3.5
111.08120	2.0
111.11729	8.7
117.07017	4.9
119.08572	52.5
120.08958	2.7
121.10136	61.7
123.08065	3.2
123.11696	34.5
125.09637	4.2
127.11172	16.5
129.06937	2.1
131.08559	13.6
133.10118	34.4
135.11682	52.0
137.13263	17.1
139.11209	3.0
143.08554	3.6
145.10104	21.5
147.11678	35.6
149.13252	35.3
149.14333	3.4
151.14830	4.1
153.12747	4.8
157.10156	6.4
159.11679	26.1
160.12485	2.5
161.13229	29.9
163.14792	11.9
167.14325	2.2
169.96516	1.9
171.11696	6.1
173.13242	21.7
175.14812	19.2
177.16359	17.4
181.48451	1.9
185.13235	7.2
187.14847	16.3
189.16417	17.6
190.16650	3.7
191.17931	18.3
195.17485	4.5
197.13214	2.9
199.14807	5.1
201.16331	10.1
203.17979	17.7
213.16443	6.0
215.17900	12.6
217.19487	15.5
227.17949	4.4
229.19473	15.2
229.28278	2.6
230.19942	2.4
231.21042	11.2
241.19505	4.3
241.82866	2.1
243.21191	5.4
245.22688	2.1
255.21121	3.8
257.22672	9.6
259.24210	3.7
269.22736	3.0
271.24106	5.5
283.24142	4.4
285.25815	5.6
301.25311	3.3
315.26855	3.3
339.30554	2.7
394.70206	2.1
397.21872	2.0
407.36673	17.5
425.37762	73.0
426.38077	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	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
57.03454	3.7
67.05501	4.2
69.03429	13.4
69.06397	25.8
70.06584	7.9
71.04993	6.1
72.08151	9.1
79.05474	4.5
81.03416	14.5
81.07041	6.8
84.08146	4.1
85.02903	65.2
86.09681	8.1
93.07035	5.9
95.08622	5.2
97.02894	19.2
99.04461	40.9
103.03942	90.9
105.07018	4.3
107.08601	3.9
109.02886	12.4
110.07159	6.8
119.08553	4.8
120.08100	8.7
127.03912	100.0
145.04959	64.5
151.07550	12.4
159.11687	2.9
163.06006	48.2
187.06036	7.1
191.10732	4.6
205.07111	5.6
211.05377	2.9
242.72508	3.0
271.08118	7.4
307.10263	5.4
321.96991	3.2
426.20813	11.7
426.25827	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
55.89964	0.2
56.05033	0.5
57.04545	0.5
58.06604	0.3
69.03396	0.3
69.07043	0.2
70.06592	6.8
71.30036	0.3
72.08146	2.2
74.06081	0.3
82.90469	0.3
84.04528	0.5
84.08137	1.5
85.02908	0.3
86.09702	2.6
91.05453	0.2
94.04055	1.5
102.05534	0.2
104.05334	0.3
110.07153	1.6
114.09154	0.6
115.08666	0.4
116.07077	0.6
120.08094	0.3
121.02865	0.2
123.06695	0.7
127.08672	0.4
128.10738	0.3
129.10239	0.8
133.05055	0.3
135.05353	0.3
136.07582	0.4
150.07744	100.0
150.46980	0.2
151.08199	2.3
155.08121	0.3
163.68556	0.3
171.11327	0.3
176.05685	0.3
183.14893	0.4
199.10652	0.3
202.79114	0.2
213.12236	0.3
229.15425	0.6
265.10449	0.4
282.11984	0.6
286.17523	0.3
295.11481	17.1
296.11752	0.8
312.19098	0.3
321.07501	0.3
325.06940	0.3
363.08490	0.3
379.08130	0.5
391.08398	0.4
409.09106	0.4
427.10437	0.4
427.19403	6.3
428.20065	0.5
428.26047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06581	0.4
70.09421	0.4
70.09780	1.4
86.42690	0.4
185.04207	4.6
185.73222	0.4
203.05293	7.2
203.10500	0.8
216.55452	0.4
265.10504	15.3
266.10785	0.8
281.12411	0.5
283.10361	0.8
307.10403	0.9
333.89493	0.4
427.15762	100.0
428.16086	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	427.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01875	0.7
55.05504	1.5
57.03434	1.4
57.39510	0.5
58.02960	1.4
61.02935	0.6
69.03414	2.9
69.07079	0.6
70.06583	3.8
72.08157	10.9
73.02904	0.6
79.05491	1.4
81.03422	1.7
84.04470	0.8
84.08143	1.4
85.02907	5.6
86.09705	9.6
91.05480	14.6
93.07039	2.1
95.04968	0.9
96.08062	0.6
97.02871	2.8
98.06049	1.1
98.09650	0.6
98.22433	0.5
99.04456	0.7
103.05469	6.2
105.07030	34.2
106.07421	0.8
109.02845	0.6
110.07167	1.3
112.03963	0.9
114.09160	2.2
115.05473	1.1
116.07068	0.8
117.07026	4.0
118.08657	3.0
119.07310	2.4
120.08102	100.0
121.08445	4.3
127.03899	1.9
128.06223	1.3
129.07033	0.7
130.06546	3.9
132.08121	3.6
133.06506	4.5
134.09657	26.4
135.09975	1.0
141.06981	0.6
143.07407	0.7
143.08548	2.1
144.08089	16.5
145.08430	0.7
145.10161	0.6
150.09138	0.8
153.06964	0.7
156.08093	0.6
160.07617	0.6
160.09663	1.7
162.09140	92.1
163.09497	4.0
166.08621	1.5
171.08038	3.0
172.07530	1.1
175.08745	0.9
177.10243	2.1
186.09120	0.7
196.09718	1.5
198.09149	4.8
215.15434	0.8
217.09712	0.6
219.14882	1.8
223.10748	1.0
228.10155	1.3
229.38509	0.6
234.12405	2.5
246.11183	1.1
261.15988	5.1
264.12244	1.9
265.10809	1.0
265.15451	20.3
266.15765	1.5
289.15433	2.1
297.15948	1.7
307.16504	45.1
308.16824	3.9
343.16479	14.9
344.16760	1.6
345.18204	0.5
351.08490	0.6
373.17374	1.7
379.07959	0.7
391.18723	3.1
404.85156	0.6
409.09009	0.8
409.19257	1.0
427.15033	1.7
427.20053	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	427.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46103	0.7
55.01846	0.7
55.05516	1.0
56.05042	1.1
57.03441	1.9
58.02966	0.9
61.84093	0.6
66.46468	0.6
69.03436	3.4
69.07081	0.7
69.09215	3.0
69.09633	1.8
70.02936	0.9
70.06593	6.7
72.08157	10.3
79.05500	1.3
81.03413	1.3
84.04515	0.8
84.08140	1.5
85.02913	6.7
85.53775	0.7
86.09711	9.9
89.82391	0.6
91.05480	14.2
91.06016	1.3
93.07057	1.8
95.04986	1.0
95.08627	0.8
97.02901	2.6
98.09740	0.6
103.05458	5.1
105.07025	34.5
106.07324	1.1
107.68610	0.6
109.02898	1.5
110.03202	1.0
110.07148	1.8
111.62379	0.6
114.09186	2.5
115.05456	1.1
116.07098	1.0
117.07021	4.3
118.08674	3.1
119.07307	2.1
120.08105	100.0
121.08438	2.8
127.03911	1.4
128.06230	1.0
129.10251	1.2
130.06535	4.1
132.08118	3.9
133.06458	3.7
134.09654	23.7
135.10059	1.0
143.08577	1.4
144.08095	17.4
145.06499	0.8
150.09128	0.8
153.07010	0.8
156.08029	0.8
160.09705	2.1
162.09145	96.9
163.09453	3.7
166.08678	1.4
171.08086	2.3
172.07613	0.7
175.08794	0.7
177.10287	1.9
183.14989	0.7
186.09154	0.7
192.01527	0.6
196.09653	2.0
198.09276	4.6
198.11000	1.2
210.09138	0.9
217.09746	0.7
219.14937	2.2
228.10175	1.5
234.12425	2.4
246.11238	1.5
261.16031	3.9
264.12271	2.6
265.10556	2.1
265.15454	19.8
265.18280	1.2
266.15744	1.0
282.22876	0.7
289.15454	2.2
295.05927	0.8
297.16058	1.3
307.16501	45.0
308.17035	3.4
343.16476	12.4
373.17535	1.5
391.18533	1.7
409.19739	0.8
427.15164	1.4
427.19669	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	427.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.2
58.06603	100.0
59.06935	1.3
60.02725	0.5
70.06582	3.4
71.28717	0.9
72.08160	0.7
73.05310	1.3
79.05518	0.6
81.07097	0.6
84.04546	0.5
84.08147	1.3
86.09706	1.2
88.07642	1.5
110.07153	1.6
115.50555	0.6
118.08652	3.0
134.04510	0.6
136.06232	0.7
185.68765	0.6
213.00716	0.6
333.57523	0.6
386.61267	0.6
427.14090	1.8
427.19131	5.3
427.24402	30.9
428.24725	2.8
428.30502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95128	0.9
71.29697	1.3
72.90560	0.7
84.74749	0.7
85.60131	0.9
93.67647	0.8
98.04746	0.9
118.09917	0.8
227.36992	0.8
427.26706	100.0
428.27039	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	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.2
57.47263	0.5
66.65768	0.5
70.90517	1.0
76.75129	0.5
77.13260	0.6
78.52026	0.5
90.99524	0.5
112.38470	0.5
213.08099	0.7
225.21750	0.6
231.08986	0.7
251.23444	0.5
269.10913	0.8
291.08804	0.8
333.17523	0.8
351.18369	0.9
369.19476	1.6
387.20673	0.8
391.17755	4.3
409.18716	2.4
427.15274	2.7
427.26675	100.0
428.27017	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	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
70.50243	0.4
70.50577	0.6
86.53525	0.3
96.40404	0.2
105.94872	0.3
118.97431	0.2
213.07991	0.3
217.36499	0.3
220.30431	0.3
231.09178	0.3
251.95374	0.3
269.10641	0.9
273.07806	0.5
287.11716	0.4
333.17358	0.5
351.18506	0.7
367.03101	0.3
369.19742	0.8
387.20718	0.5
391.17676	2.2
409.18765	0.9
427.26669	100.0
428.27017	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	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82037	0.4
62.76686	0.4
67.84289	0.4
69.77781	0.7
69.78161	0.7
98.22681	0.7
111.39391	0.4
128.13478	0.4
228.97801	0.4
229.01891	0.5
254.96008	0.4
289.11871	0.4
300.84384	0.4
319.81577	0.4
389.16144	0.4
427.26669	100.0
428.27063	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.03421	0.3
57.07072	1.6
65.03935	0.3
67.05505	3.0
69.03436	0.3
69.07056	0.8
69.46104	1.6
70.06599	0.3
72.08162	0.4
74.33739	0.3
79.05489	0.7
81.07065	1.6
83.04959	0.3
83.08618	0.4
85.06544	9.0
86.06841	0.3
91.05473	0.8
93.07064	1.3
95.04974	0.5
95.08619	1.5
97.06541	0.3
103.44551	0.2
105.07046	1.4
107.08596	1.0
109.06516	0.5
109.10143	0.9
117.06985	0.6
118.85963	0.2
119.08572	1.0
121.06509	0.3
121.10170	0.7
123.08053	0.8
123.11711	0.4
129.06956	0.3
131.08560	0.7
133.10213	0.6
135.08104	1.3
135.11673	0.4
137.09605	0.3
137.13219	0.3
141.06995	0.3
143.08548	0.8
145.10123	1.4
147.11682	0.5
149.02330	0.4
149.09630	0.8
151.07538	4.5
155.08525	0.3
157.10104	1.1
159.07983	0.4
159.11731	0.8
161.09634	0.3
163.11176	0.5
165.09126	0.5
169.10121	0.3
171.11668	0.5
173.09602	0.6
175.11243	0.5
177.09157	0.8
183.11719	0.3
185.13255	0.4
189.12749	0.6
191.10664	1.9
197.13344	0.4
199.11304	0.4
203.10762	0.6
205.12340	0.5
209.13388	0.3
237.07436	0.3
257.38678	0.2
297.22061	0.7
315.23190	0.3
409.27289	4.4
410.27753	0.5
427.26651	100.0
428.21112	0.6
428.26987	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	427.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01864	1.9
55.05501	4.0
56.05036	1.0
57.05818	0.6
60.04527	1.2
65.03919	0.8
67.01891	0.5
69.07058	1.9
69.65672	1.4
69.66080	1.0
70.06590	100.0
71.06914	1.9
72.08155	37.7
77.86022	0.5
79.01882	0.5
79.05497	1.0
81.03413	0.6
84.04517	0.6
84.08132	2.5
85.02908	1.3
86.09705	29.9
87.10028	0.8
90.19610	0.5
91.05473	2.1
93.03421	1.1
93.07036	1.1
94.59516	0.5
95.04977	0.8
95.06090	0.5
97.02882	0.5
102.05556	0.9
103.05461	1.8
107.04945	2.8
109.02877	1.1
110.07159	4.0
111.04459	0.7
112.04041	0.6
116.07146	0.8
119.04930	5.5
120.08103	54.4
121.02876	16.5
121.03823	0.9
121.06538	0.8
121.08405	0.6
122.03239	0.7
123.04433	0.7
129.10255	1.3
130.55894	0.5
131.04874	0.6
133.02914	0.7
135.04454	1.4
136.07550	3.5
141.10213	0.5
143.05008	0.5
143.11789	1.0
145.02846	0.8
147.04453	1.2
150.05896	0.5
153.01874	0.6
159.04401	1.2
161.02327	0.8
163.03859	1.1
165.05540	1.1
169.13380	2.2
175.03955	1.7
177.01810	3.8
177.05455	0.9
179.03455	1.0
182.08159	2.6
184.07349	1.7
185.16486	8.4
187.03952	1.0
189.01842	2.3
189.05450	0.7
190.02603	0.8
191.03455	1.1
195.02888	5.0
199.04100	0.8
203.03412	7.9
205.05013	1.1
207.02904	2.3
213.16006	3.3
215.13908	80.9
216.14240	3.4
217.04990	2.5
219.03021	0.8
219.14914	18.7
221.04497	1.8
227.03438	1.4
231.02945	0.9
233.04604	0.9
240.08083	0.6
245.04475	1.2
247.10703	1.0
247.11870	0.5
247.14400	5.9
255.03044	0.7
255.06352	0.5
263.06763	0.8
265.10654	0.7
266.10193	0.6
267.06406	0.9
268.07291	2.5
273.03909	0.8
279.06625	1.9
280.07162	0.6
281.08038	0.8
281.14993	0.9
283.05984	1.5
292.07178	1.0
293.08066	2.8
294.05212	2.1
294.08313	0.9
295.06012	31.6
295.09116	1.2
296.06503	4.7
297.07553	3.0
305.08087	1.4
306.08847	1.3
307.06055	7.8
307.09354	1.1
308.06747	8.6
308.10129	0.7
309.07477	4.1
313.06900	0.8
319.05942	1.6
320.06754	2.8
321.07562	15.4
322.08240	5.5
323.09039	2.6
325.07053	30.0
326.07486	3.7
328.22263	0.7
329.14923	1.4
333.07547	2.9
334.08447	2.7
335.09152	7.9
336.09598	0.9
337.07065	11.6
338.07404	1.4
339.08646	2.7
345.07559	2.9
348.06223	0.7
349.07016	18.0
350.07394	2.5
351.08591	13.7
352.08978	1.4
362.08078	0.7
363.08603	10.7
364.09048	1.4
367.08151	1.0
373.07080	1.6
379.08118	34.0
380.08524	3.5
381.09882	0.6
391.08084	22.5
392.08282	3.5
409.09152	29.9
410.09711	4.3
427.10315	17.9
427.18958	4.5
428.10635	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.6
57.07074	6.8
64.24625	1.3
65.04009	1.3
67.05511	8.1
69.03421	1.4
69.07068	25.8
71.08631	3.9
71.29721	2.1
79.05491	3.9
81.07066	10.7
83.08625	11.4
85.10186	2.0
91.49264	1.4
93.07033	3.9
94.14857	1.6
95.08620	8.8
97.10176	6.4
101.80144	1.4
105.07066	2.4
107.08610	5.3
109.10142	8.2
111.11692	3.0
119.08592	3.1
120.36296	1.6
121.10149	2.6
122.07314	1.6
123.11716	2.8
135.08063	3.5
135.11646	2.4
137.09631	7.1
137.13231	2.0
139.07576	1.9
145.48663	1.4
149.09662	8.3
149.13246	2.7
151.07553	3.3
159.11754	2.2
163.11284	4.6
165.09122	100.0
166.09486	4.7
167.07053	6.2
167.59831	1.6
175.07559	2.2
175.11183	2.5
177.09129	6.4
189.09113	3.1
191.10692	6.4
201.12767	1.6
203.10704	10.2
203.14320	1.7
205.12245	11.1
217.12067	3.6
219.13872	1.8
225.51895	1.6
231.13896	2.0
267.18057	1.5
427.15143	3.6
427.20178	1.8
427.36029	11.2
428.15738	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	427.3571
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05510	16.6
57.07067	9.4
67.05505	20.8
68.99838	27.7
69.00242	5.1
69.07072	23.4
71.08637	3.4
75.03162	3.3
75.09851	3.1
79.05507	11.0
81.07058	40.7
83.08617	14.3
85.10190	4.3
91.05486	14.2
93.07030	15.6
95.08607	48.0
97.06538	9.5
97.10178	10.5
105.07008	16.2
107.08576	18.5
109.06501	3.3
109.10157	38.3
111.08107	20.5
117.06977	5.6
119.08582	33.5
121.10154	13.7
121.51627	3.7
123.08116	4.2
123.11746	16.7
131.08569	9.0
133.10132	19.7
135.08072	7.0
135.11693	12.6
137.09631	12.6
137.13266	5.1
143.08536	6.9
145.10123	13.0
147.11694	14.3
149.09633	4.9
149.13284	5.6
155.08536	4.4
157.10156	9.1
159.11665	7.8
161.09647	4.5
161.13220	8.7
163.11209	6.4
165.09100	9.0
166.09546	3.4
169.10143	7.5
171.11693	14.3
173.13300	5.8
175.11215	3.3
175.14888	8.8
183.11664	7.0
185.13235	5.0
187.14848	5.3
189.12775	7.9
191.14212	4.8
197.13258	6.5
199.14824	7.6
203.14302	6.6
203.18088	3.6
211.14888	6.0
213.16420	4.8
215.17940	5.1
217.16045	4.2
223.14848	3.7
227.17909	6.9
237.16258	4.5
240.94955	3.3
243.17482	3.3
269.06726	3.8
285.22098	4.8
301.25366	5.5
303.26694	5.7
326.70908	3.4
333.61871	3.7
380.94205	3.3
388.11044	3.1
391.33499	13.8
409.34644	100.0
410.34879	6.6
427.30783	6.0
427.36438	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	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
55.05515	24.4
57.07078	10.8
59.88324	2.7
62.32893	2.5
65.03958	2.6
67.05507	33.8
69.07071	39.5
71.08628	6.2
71.30009	3.6
71.40117	2.9
79.05496	15.0
81.03430	4.2
81.07059	45.0
83.08627	19.3
85.06536	3.3
91.04996	3.5
91.05455	17.5
93.07050	31.2
95.04984	3.1
95.08610	59.6
97.06539	18.9
97.10180	13.8
99.08103	2.7
105.07045	29.3
107.08595	23.4
109.06498	2.9
109.10149	43.2
111.04482	2.6
111.08083	31.4
111.11767	2.5
117.06998	6.5
119.08587	47.3
121.06557	3.4
121.10150	18.6
123.08082	7.5
123.11688	21.0
129.07036	5.6
131.08565	10.2
133.10136	26.9
135.08080	6.4
135.11661	16.2
137.09589	18.5
137.13274	4.9
143.08571	10.5
145.10161	10.8
147.08017	4.0
147.11671	21.2
149.09651	12.4
149.13266	8.0
151.07567	4.0
156.09349	5.7
157.10133	9.8
159.11696	16.1
161.09608	4.9
161.13280	10.7
163.11183	8.9
163.14735	6.2
165.09134	6.4
169.10146	9.2
171.11678	19.0
173.13332	9.3
175.11162	4.5
175.14851	4.5
177.12825	5.3
180.55383	2.9
185.13269	7.8
190.43518	2.8
193.16127	2.5
197.13289	4.8
199.14854	5.9
201.16388	4.4
211.14735	5.7
213.16417	7.6
217.19522	5.8
225.16443	6.3
227.18008	7.4
239.17984	2.8
241.19601	3.1
262.85648	2.6
265.19717	3.9
267.21118	4.6
301.25305	10.5
303.26770	5.3
307.24274	4.8
317.17868	4.3
324.32697	22.2
325.32855	3.3
343.16565	2.6
391.33591	14.7
409.34662	100.0
410.34973	11.8
426.66702	2.5
427.26602	4.6
427.35843	12.0
428.41180	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	429.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19099	0.5
54.97882	0.7
58.83052	0.7
61.08481	0.6
69.02322	5.2
70.06589	1.4
73.04758	2.4
79.06197	0.7
84.08150	1.3
86.09756	0.8
91.05806	5.6
100.09344	0.6
107.72356	0.7
112.78751	0.7
115.56577	0.6
119.56892	0.8
124.69935	0.6
143.03070	0.7
144.24869	0.7
149.04552	0.7
149.85818	0.7
167.05586	2.7
168.12485	0.8
203.05238	4.6
225.81483	0.8
249.11118	0.6
251.17514	0.7
264.23300	0.7
267.09058	1.1
267.12045	22.7
268.12387	1.6
359.02856	2.5
429.17316	100.0
429.29715	2.1
430.17651	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	429.1883
Annotation	Trp Ser His
Peak:m/z	Relative Intensity
51.44389	0.7
51.48153	0.5
52.86313	0.6
55.05518	1.0
57.03412	0.7
57.09038	0.6
57.98927	0.6
65.98936	0.5
67.05496	2.3
69.03414	0.9
69.07070	1.0
69.10548	1.7
69.10960	4.6
70.06587	1.9
72.08141	3.2
73.04758	1.8
73.90669	0.8
81.03445	1.2
81.07047	2.3
83.05000	0.8
84.08149	1.3
85.06563	0.8
86.09720	1.4
91.05791	2.9
91.50192	0.6
93.07073	1.4
95.08610	1.9
98.09711	0.8
105.07043	1.7
106.17285	0.6
107.08600	1.6
109.10165	1.6
111.04423	1.0
115.07435	0.6
117.06988	0.9
119.08595	1.4
121.06532	0.8
121.10203	0.6
125.09660	0.9
126.09068	0.6
129.10231	0.8
131.08554	1.0
133.10176	0.8
137.05980	0.7
143.08624	0.9
145.10161	0.9
147.11647	0.7
149.02347	1.5
149.09656	1.0
151.07472	1.0
165.09010	0.8
167.05556	1.3
167.71237	0.6
173.13197	1.2
225.10246	0.9
226.11180	1.2
239.11967	0.9
285.12393	1.5
303.08548	0.7
323.16183	2.0
359.02884	2.4
369.16803	3.5
429.18848	100.0
430.19168	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	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85755	0.3
55.05490	0.5
67.05473	0.3
69.07060	0.6
70.06590	1.2
71.28589	0.5
72.08160	1.4
73.04761	0.4
75.25159	0.3
81.07067	0.4
84.08138	1.1
85.02918	0.3
86.09702	5.8
87.10060	0.3
91.05802	0.4
93.07062	0.3
97.02868	0.3
99.27121	0.3
105.07053	0.6
107.08604	0.3
133.10124	0.3
143.11835	0.4
146.11758	0.7
151.07536	0.8
167.05577	0.4
171.11391	0.3
177.09196	0.3
185.04283	0.7
203.05275	0.6
223.13062	2.7
225.10106	0.3
239.11844	0.4
249.14629	0.4
259.20145	0.4
267.15689	3.7
268.15842	0.3
285.12277	0.4
332.66006	0.3
350.27390	0.3
359.02844	0.8
385.18048	0.4
429.20938	100.0
430.15860	0.6
430.21365	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	429.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.0
66.88864	0.4
69.07076	3.3
70.06594	100.0
70.70728	1.2
71.06932	1.8
72.08159	11.2
72.63710	0.4
73.04768	1.4
74.06081	0.9
84.04501	2.3
84.08154	5.6
85.02881	0.5
86.09708	38.0
87.10041	0.7
91.05804	2.0
91.83062	0.4
101.07159	0.5
102.05541	0.9
108.65554	0.4
110.07124	0.5
115.08677	0.6
116.07101	2.1
120.45820	0.4
129.10233	3.6
130.05011	2.5
130.08644	1.7
135.62767	0.5
139.60225	0.4
143.11790	2.6
147.07651	2.3
147.11302	1.5
167.05566	1.3
171.11290	1.1
173.09196	0.6
185.12820	0.9
185.16502	6.7
187.10811	0.8
199.10834	1.9
201.12311	0.5
213.15964	2.7
215.13918	0.5
217.11841	64.2
218.12148	1.9
220.73315	0.4
227.10381	0.5
242.18509	0.5
245.11292	0.8
260.16095	1.1
260.19626	1.2
284.19879	0.5
351.12402	0.5
359.02890	1.9
375.56619	0.8
430.30560	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	429.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27985	2.7
50.35444	3.0
50.86127	2.8
51.34789	2.9
55.05531	3.7
57.07075	10.4
67.05495	3.6
69.07056	3.1
71.08630	9.3
74.98060	2.9
79.05473	3.0
81.07046	7.2
107.08598	4.1
109.10152	6.9
109.88811	3.1
119.08585	6.2
120.84888	3.1
121.06507	4.0
135.08139	3.8
137.09622	9.1
149.09634	8.7
163.11198	14.1
164.08339	12.0
165.09126	100.0
169.71803	2.9
175.11221	5.3
177.09151	7.2
184.46448	3.3
191.10666	6.9
192.85564	3.2
193.20981	3.1
205.12308	10.2
212.21889	3.0
219.13957	3.0
390.11334	3.6
429.32312	3.7
429.37115	22.2
430.38171	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03928	0.3
55.05511	2.2
57.07077	13.1
57.80320	0.4
67.05506	4.1
69.07064	3.1
69.08878	2.8
71.08633	8.8
77.90668	0.4
79.05486	1.8
81.06594	0.4
81.07057	5.8
83.04974	0.8
83.08617	2.1
85.10191	4.5
91.05466	2.4
93.07057	2.7
95.08608	4.7
97.10139	2.0
105.07035	2.2
107.08583	3.8
109.06497	0.9
109.10165	6.2
111.04443	0.6
111.11721	1.2
117.06973	0.9
119.08578	3.0
121.06506	4.0
121.10149	2.4
122.07282	1.5
123.08064	1.1
123.11724	0.7
125.05971	0.5
131.08578	1.8
133.10138	1.0
135.08061	3.8
135.11661	1.4
136.08852	4.4
137.05962	0.7
137.09616	11.2
137.13206	0.4
139.07524	1.3
144.09401	0.4
145.10152	1.7
149.09621	10.3
149.13255	0.7
150.09993	0.4
151.07547	1.1
159.08023	0.9
159.11629	1.8
160.08868	0.4
161.09612	1.1
162.06729	0.8
163.07576	0.9
163.11182	15.3
164.07013	0.4
164.08328	10.9
164.11499	0.6
165.09116	100.0
166.09415	2.1
172.08870	0.5
173.09642	1.8
173.13242	1.2
175.07596	0.7
175.11183	4.6
176.08292	1.1
177.09129	8.4
177.12756	1.5
178.09703	0.5
179.10693	1.1
186.10423	0.7
187.11150	2.0
187.14801	0.7
189.09111	1.0
189.12703	1.8
190.09856	1.1
191.10684	7.6
193.81454	0.4
201.12787	2.2
203.10701	1.3
203.14296	1.0
204.11409	0.6
204.20320	0.4
205.12238	9.6
215.14337	1.0
219.13809	4.3
233.15321	2.3
247.16939	1.3
261.18484	0.6
275.20023	1.1
289.21564	1.2
291.30426	0.4
303.23218	1.5
317.24716	1.0
331.26315	1.0
345.27811	1.0
357.83627	0.4
359.29303	0.5
373.30984	0.9
401.34073	1.9
411.36276	1.3
426.06015	0.5
429.37277	28.0
430.38019	23.3
430.44235	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.34547	0.5
54.42080	0.6
55.05515	3.8
57.07078	18.0
63.41779	0.5
66.07672	0.6
67.05501	5.6
69.06780	2.7
69.07079	2.7
71.08633	11.6
76.41965	0.6
79.05483	2.0
81.07054	7.7
83.04962	1.1
83.08622	3.8
85.10184	7.2
91.05460	2.8
93.07038	2.1
95.08613	9.7
97.10152	2.2
98.22674	1.4
98.23304	1.0
105.07043	2.7
107.08603	5.9
109.09472	0.6
109.10161	6.5
111.04418	0.9
111.11702	1.1
117.07011	1.0
119.08569	4.2
121.06545	0.6
121.10149	4.8
123.08066	1.1
123.11666	1.4
129.07037	0.7
131.08556	2.6
133.10107	1.6
135.08051	5.4
135.11707	2.8
137.05943	1.0
137.09616	11.1
137.13223	1.1
139.07530	2.2
145.10112	2.3
147.11713	0.9
149.09613	17.0
149.13188	0.9
151.07541	1.4
157.10115	0.6
159.08066	1.0
159.11737	3.5
160.08844	1.2
161.09608	1.3
162.06723	1.4
163.07495	1.3
163.11183	19.9
164.11511	0.8
165.09119	100.0
166.09438	3.8
167.07069	2.0
173.09662	1.8
173.13272	2.7
174.10439	0.8
175.07466	0.6
175.11220	5.9
176.08289	1.5
177.09119	12.5
177.12737	2.8
179.10693	1.3
182.11340	0.6
183.77751	0.6
186.10384	1.7
187.11189	3.0
187.14819	1.2
189.09135	0.9
189.12785	2.1
190.09917	1.4
191.10664	11.3
191.14384	1.3
201.12682	3.6
203.10652	2.4
203.14354	1.3
205.12245	12.1
215.14273	1.9
219.13792	6.1
233.15359	3.0
247.16946	2.0
261.18497	1.0
275.20084	1.4
289.21594	1.2
303.23273	1.1
317.24750	0.8
331.26230	1.2
345.27966	1.1
359.29504	1.0
373.31094	0.9
384.92529	0.6
401.34137	1.7
403.34039	0.5
411.36356	2.2
429.37311	30.8
430.37793	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	1.7
57.07074	12.4
67.05505	4.7
69.07060	3.3
70.44726	1.4
70.45042	2.1
71.08631	8.1
74.56545	1.2
79.05486	1.8
81.07053	7.5
83.08633	2.6
85.10188	5.5
89.91019	1.3
92.99995	1.2
93.07030	2.2
95.08634	5.3
97.10217	1.7
100.82493	1.3
105.07034	2.0
107.08606	3.7
109.10166	4.7
119.08583	3.4
121.06537	3.2
121.10139	2.9
131.08559	2.3
135.08086	3.7
135.11711	1.7
136.08830	2.8
137.09616	8.3
145.10088	2.0
149.09619	13.5
159.11752	2.0
163.11188	18.2
164.08351	5.4
165.09116	100.0
166.09576	2.8
173.09688	1.6
173.13272	1.7
175.11203	4.8
177.09091	9.2
177.12697	2.3
187.11220	3.1
189.12750	2.6
191.10622	9.4
201.12737	3.4
202.27400	1.2
205.12273	8.4
215.14375	2.3
219.13814	4.8
233.15247	2.2
261.18478	1.8
275.20215	2.5
302.90613	1.4
303.23306	2.1
401.33899	2.6
411.36142	1.4
429.37271	26.9
430.38177	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	430.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86599	0.1
53.72728	0.1
55.01861	0.4
55.05505	0.1
56.05038	0.2
56.96561	0.8
57.03453	0.7
61.02921	0.6
69.03429	2.4
69.55536	0.1
70.06595	2.4
70.98103	0.1
71.01350	0.2
71.04972	0.2
71.28708	0.1
72.08158	0.9
73.02921	0.8
73.04755	0.2
74.06084	0.1
75.83197	0.1
81.03398	0.6
84.04492	0.4
84.08149	1.8
85.02905	4.2
86.09697	1.0
87.04429	0.2
91.03957	0.2
91.05777	0.2
94.04057	0.3
97.02889	1.9
98.97588	1.5
99.04443	0.4
103.03954	0.1
109.02885	0.6
109.05079	0.1
110.07169	0.3
110.97591	0.3
112.08722	0.2
115.03935	0.3
115.08675	0.3
116.07071	0.2
116.98614	0.6
119.01922	0.1
119.03554	1.4
127.03915	0.8
128.98613	0.2
129.10231	1.4
131.01959	0.1
133.04955	0.4
134.99666	0.3
136.06183	100.0
137.04591	0.7
137.06613	1.6
145.04984	0.6
147.07608	0.2
152.05716	0.2
167.05537	0.1
172.94426	0.2
174.97549	0.1
177.00885	0.2
186.12250	0.2
190.95493	0.2
196.78934	0.1
197.60480	0.1
201.00839	0.1
214.95392	0.2
215.02315	0.3
217.11778	0.1
219.01921	0.2
232.96420	0.1
233.03494	0.1
243.01968	0.2
268.10391	4.7
269.10773	0.3
274.97491	0.5
292.98672	0.3
298.11322	0.4
315.04803	0.1
360.02734	0.2
430.15695	7.5
430.28043	0.4
431.15939	0.5
431.25949	0.1
444.00891	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	430.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.2
56.05031	5.7
58.06595	2.9
62.99028	0.3
67.83695	0.4
69.07069	5.8
69.15254	1.1
69.15675	1.7
70.06592	7.1
72.08154	15.3
73.04047	0.4
73.58418	0.3
74.06079	7.6
75.05593	1.3
78.15686	0.4
81.07009	0.4
83.06099	7.2
84.04504	16.7
84.08143	6.6
85.02888	0.5
85.04846	0.4
86.09704	100.0
87.10022	1.2
91.05467	2.6
93.07031	0.6
95.04948	0.7
96.04489	0.9
96.08124	0.4
101.07138	13.7
102.05524	2.0
103.05481	1.3
105.07034	1.7
112.08710	0.5
113.07124	0.8
114.09159	0.4
116.07113	0.7
117.05759	0.5
117.07038	1.0
119.04939	0.8
119.07321	2.0
120.08102	35.8
121.08455	1.7
123.04410	0.7
127.08627	0.3
129.06584	4.0
129.10249	3.9
130.05006	3.7
130.06516	1.3
131.11772	1.2
132.08101	1.5
132.10196	1.3
134.09679	0.5
136.07570	3.6
138.02206	0.4
138.09100	0.5
141.06590	1.6
141.10306	0.3
143.07303	0.4
143.08531	0.4
143.11784	4.9
144.06512	0.7
147.04388	0.5
147.07646	4.7
148.06044	1.4
152.10716	1.8
155.08145	1.0
157.13361	1.4
158.09648	6.3
160.07603	0.5
160.11211	1.1
161.09242	0.8
162.09120	0.7
163.09521	0.6
163.71703	0.4
165.05458	1.5
166.08540	0.5
168.07649	0.4
169.13350	1.2
171.11275	3.5
173.09187	0.6
176.10712	6.1
177.10172	1.9
182.08127	2.8
183.11240	0.8
183.14922	0.6
184.15329	0.4
185.12849	1.2
185.16483	5.4
186.08846	1.3
187.10722	0.6
189.12331	4.3
196.14452	5.6
197.12868	5.0
199.18059	1.4
200.10251	0.4
200.13853	0.9
201.08714	1.0
201.12402	0.7
203.11731	0.3
205.09853	0.4
213.15988	4.9
214.15498	5.6
215.13962	2.0
219.13400	4.0
221.12842	47.1
222.13158	2.4
224.13907	3.4
225.12357	1.5
227.17538	1.2
228.13434	1.2
231.16995	0.8
239.17554	0.4
242.14996	8.0
243.13351	2.2
246.14534	0.5
247.12892	0.8
249.12321	9.6
250.12540	0.4
260.16080	1.9
261.14426	3.6
269.13690	0.4
271.17621	0.4
284.19699	0.9
299.17078	1.4
300.15503	0.7
310.14651	0.5
310.21158	0.8
317.18152	1.0
318.68753	0.4
326.24301	0.6
329.14926	1.5
337.22171	0.8
338.20706	0.6
355.23340	1.0
412.20462	0.4
412.25430	2.5
413.25302	0.3
419.66605	0.3
430.20724	1.0
430.29642	1.8
431.18616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.5
56.05039	2.1
56.96568	2.1
60.04527	4.2
69.22672	7.7
70.06598	40.5
71.06913	1.9
72.08159	25.9
73.08479	1.0
79.05451	1.0
83.69789	0.9
84.04510	12.5
84.08145	19.1
86.09715	7.1
87.05578	1.2
93.07037	1.5
98.06062	1.0
102.05548	9.2
103.05458	6.9
107.04952	2.0
110.07166	2.3
112.08727	2.0
115.08685	1.8
116.07127	1.2
120.08111	100.0
121.08448	2.8
126.05531	2.1
129.10248	13.8
129.11113	1.7
130.08632	2.6
130.93298	3.3
131.04968	1.6
136.06239	5.6
138.09163	3.9
149.06033	1.2
156.10159	2.7
166.08638	43.6
167.08989	1.2
172.10844	2.0
183.11258	8.0
185.09167	1.3
189.08719	1.9
189.13588	2.9
201.12361	13.9
202.12535	1.2
210.95982	1.3
211.10760	1.8
212.97523	1.8
217.08188	1.5
226.15559	1.9
230.98528	1.5
256.96472	1.4
260.12457	1.8
266.98700	1.1
298.14136	1.7
300.20374	2.0
315.68289	1.6
317.22867	1.2
342.02954	1.2
360.03680	1.2
386.02423	1.8
397.25540	1.5
404.03503	5.1
414.28253	12.0
415.28687	2.1
420.73398	4.9
421.23190	1.4
430.00839	1.6
430.28094	8.8
448.02390	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.9
57.07083	14.6
59.04989	4.5
59.77828	2.3
63.04491	21.2
65.93290	1.7
69.03428	59.4
69.25114	7.2
69.25539	9.1
70.06583	11.7
72.08146	16.9
73.02888	2.0
73.04752	2.1
84.04507	11.5
84.08161	12.6
85.02900	42.5
86.09699	100.0
87.04464	38.2
97.02888	44.5
101.09648	2.4
106.06554	16.4
115.03924	60.7
119.10682	75.0
120.08099	5.6
121.08494	3.1
127.03892	5.2
129.10226	7.4
130.04993	4.5
132.10190	2.3
133.04951	60.6
136.07542	2.6
143.11772	8.3
145.04987	5.1
147.07608	7.8
150.07590	3.4
157.13388	4.9
171.11282	4.6
185.12849	3.1
187.14369	2.5
189.12328	6.4
197.12816	3.2
201.12343	5.6
203.13864	3.2
215.13919	8.9
221.12914	2.2
229.11731	2.5
241.07024	2.5
243.13243	5.0
247.12854	3.5
259.08173	2.3
260.16196	3.8
261.14413	2.1
261.71298	1.9
299.94415	2.4
302.30304	2.3
430.27130	2.7
431.26114	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	430.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	10.6
67.05505	4.8
71.12839	3.7
85.10193	4.8
91.05865	4.7
93.07053	8.2
95.08584	7.4
96.92957	3.9
98.23347	11.0
119.08632	4.3
121.10194	5.8
123.08089	5.3
131.08577	4.9
133.10092	6.2
137.05945	6.8
151.07562	9.4
165.09099	4.9
167.07112	20.3
188.08235	4.9
228.28566	4.2
229.44070	5.3
234.98534	4.1
340.49030	4.9
430.23483	100.0
430.28973	7.9
431.24582	14.4
431.35178	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	430.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41739	0.3
55.05511	2.5
56.05026	2.4
57.05795	0.4
60.04509	0.7
67.05515	0.3
69.07063	5.0
70.02927	0.4
70.06588	12.8
70.55810	0.8
71.06911	0.9
72.08151	32.4
73.08487	0.4
74.06076	0.7
82.06590	0.4
83.06103	1.0
84.04504	3.6
84.08138	48.5
85.08480	0.8
86.09699	100.0
87.09447	0.3
87.10024	1.8
96.08163	0.6
98.09639	0.5
98.23244	0.3
100.07641	0.3
101.07106	0.7
101.10789	2.1
102.05511	0.8
110.07125	0.4
111.09169	0.7
112.07597	0.5
115.05057	0.4
115.08680	5.2
115.09432	0.5
116.07104	1.7
117.10226	0.4
126.09143	0.7
127.08662	0.8
129.06612	0.5
129.10233	36.1
130.04988	0.5
130.08641	0.9
130.10602	0.9
136.07599	0.4
139.08635	0.4
141.10252	1.0
143.08147	4.3
143.11800	2.0
144.06561	1.0
144.10217	0.6
144.85995	0.3
147.11331	0.4
148.06078	2.4
152.14342	1.0
154.20871	0.3
155.08116	0.5
157.09732	0.6
157.13339	3.2
161.09155	0.6
161.12852	0.3
169.09650	0.3
171.11285	2.0
175.10771	3.1
183.14912	0.5
185.12852	3.2
185.16464	3.1
186.12344	1.8
189.12326	1.7
196.14493	0.7
197.12828	0.9
197.16486	4.2
199.18002	1.8
200.13989	0.4
205.15266	0.4
211.14409	3.0
213.15933	3.2
214.19206	0.4
215.13939	0.6
224.17612	1.0
225.15958	1.0
227.17566	1.3
228.13527	1.1
228.17149	0.6
229.15466	2.1
239.17618	0.5
242.15060	1.4
242.18623	3.6
243.13405	0.7
245.18568	0.6
247.12837	1.9
250.18008	0.3
256.16531	13.7
256.19199	0.7
257.16827	0.6
260.16116	0.5
260.19733	0.7
261.14462	1.6
281.19727	0.5
284.19730	1.4
288.19220	0.9
299.17334	0.5
299.20877	0.8
302.20944	0.4
327.23959	1.4
337.26041	0.7
355.23483	0.6
355.27097	2.1
369.15298	0.5
371.13370	0.4
430.25027	0.6
430.30341	11.3
431.15164	6.0
431.30542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
56.05027	3.1
57.05816	0.5
60.04523	0.4
67.05503	0.6
69.07069	4.6
70.06199	0.8
70.06590	16.0
70.33353	0.9
70.33710	0.7
71.06918	0.9
72.08157	35.3
73.04732	0.5
73.08481	0.5
73.10789	0.4
81.54169	0.4
82.06586	0.7
83.06101	1.3
84.04501	5.1
84.08144	81.2
85.06545	0.5
85.08485	1.5
86.09706	100.0
87.10065	1.1
96.08120	1.3
101.07159	0.8
101.10773	3.3
102.05547	0.8
110.07178	1.0
111.09206	1.3
115.08692	4.9
116.07098	1.5
121.12924	0.4
125.07143	0.4
126.09165	0.9
127.08707	0.6
129.10240	56.3
130.05028	1.1
130.08812	0.5
130.10597	1.3
132.10178	0.4
139.08688	0.5
141.10266	1.0
143.08173	3.2
143.11804	3.6
144.06569	1.0
147.11342	0.7
148.06035	2.9
151.44618	0.4
152.10791	0.4
152.14320	2.0
157.06064	0.5
157.09738	1.1
157.13374	3.7
161.09268	1.1
169.13301	0.7
171.11255	2.6
175.10773	3.5
183.14854	0.5
185.12869	4.6
185.16504	2.8
186.12344	2.3
189.12315	3.2
196.14510	0.8
197.12863	1.5
197.16501	6.1
197.18228	0.4
199.18103	1.9
201.12427	0.5
203.13995	0.7
211.14319	2.1
213.15999	2.6
214.15553	0.5
214.19279	1.0
215.14082	0.6
217.11763	0.5
224.14067	0.6
224.17599	3.0
225.16035	1.4
227.17607	1.6
228.13538	1.4
228.17270	0.6
229.11870	0.6
229.15405	2.3
239.17371	0.7
242.15067	1.4
242.18623	7.3
245.04140	0.5
247.12894	3.6
256.16556	10.6
261.14465	3.8
270.18402	0.5
273.38892	0.5
281.19916	0.7
284.19806	2.0
288.19241	0.8
299.17627	0.5
299.20923	0.8
302.20779	1.0
320.23279	0.7
327.23965	1.2
327.27567	0.7
337.26151	1.9
338.24539	0.6
341.21863	0.7
355.23218	0.8
355.26999	4.7
369.15332	0.9
430.30377	18.0
431.15173	6.7
431.30664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
56.05027	3.1
57.05816	0.5
60.04523	0.4
67.05503	0.6
69.07069	4.6
70.06199	0.8
70.06590	16.0
70.33353	0.9
70.33710	0.7
71.06918	0.9
72.08157	35.3
73.04732	0.5
73.08481	0.5
73.10789	0.4
81.54169	0.4
82.06586	0.7
83.06101	1.3
84.04501	5.1
84.08144	81.2
85.06545	0.5
85.08485	1.5
86.09706	100.0
87.10065	1.1
96.08120	1.3
101.07159	0.8
101.10773	3.3
102.05547	0.8
110.07178	1.0
111.09206	1.3
115.08692	4.9
116.07098	1.5
121.12924	0.4
125.07143	0.4
126.09165	0.9
127.08707	0.6
129.10240	56.3
130.05028	1.1
130.08812	0.5
130.10597	1.3
132.10178	0.4
139.08688	0.5
141.10266	1.0
143.08173	3.2
143.11804	3.6
144.06569	1.0
147.11342	0.7
148.06035	2.9
151.44618	0.4
152.10791	0.4
152.14320	2.0
157.06064	0.5
157.09738	1.1
157.13374	3.7
161.09268	1.1
169.13301	0.7
171.11255	2.6
175.10773	3.5
183.14854	0.5
185.12869	4.6
185.16504	2.8
186.12344	2.3
189.12315	3.2
196.14510	0.8
197.12863	1.5
197.16501	6.1
197.18228	0.4
199.18103	1.9
201.12427	0.5
203.13995	0.7
211.14319	2.1
213.15999	2.6
214.15553	0.5
214.19279	1.0
215.14082	0.6
217.11763	0.5
224.14067	0.6
224.17599	3.0
225.16035	1.4
227.17607	1.6
228.13538	1.4
228.17270	0.6
229.11870	0.6
229.15405	2.3
239.17371	0.7
242.15067	1.4
242.18623	7.3
245.04140	0.5
247.12894	3.6
256.16556	10.6
261.14465	3.8
270.18402	0.5
273.38892	0.5
281.19916	0.7
284.19806	2.0
288.19241	0.8
299.17627	0.5
299.20923	0.8
302.20779	1.0
320.23279	0.7
327.23965	1.2
327.27567	0.7
337.26151	1.9
338.24539	0.6
341.21863	0.7
355.23218	0.8
355.26999	4.7
369.15332	0.9
430.30377	18.0
431.15173	6.7
431.30664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05512	1.1
57.07080	3.6
58.07410	0.5
60.43040	0.4
62.95583	0.6
66.52937	0.4
67.05509	3.5
69.07066	1.2
69.09088	2.0
69.09512	1.5
71.08616	2.0
71.08954	0.4
72.08971	0.4
81.07044	2.4
83.04983	0.7
85.10178	1.1
88.88988	0.4
91.05479	1.5
93.07053	2.4
95.08599	1.6
99.63223	0.4
105.07054	0.4
107.08609	1.0
107.49024	0.4
109.10168	5.7
119.08559	2.6
119.37756	0.4
120.09118	0.4
121.06506	12.4
121.10120	0.8
122.07235	1.8
123.08073	0.4
123.11797	0.4
125.06023	0.6
135.08046	2.1
135.11745	0.6
136.07817	0.9
136.08836	13.8
137.05981	0.4
137.09621	15.8
137.99733	0.4
138.09929	1.0
139.07356	0.6
145.10107	0.5
149.05943	0.6
149.09634	3.6
150.10004	1.0
151.07555	0.5
152.08289	1.0
159.11653	1.0
163.07407	0.5
163.11182	2.7
164.08334	31.2
164.11478	1.2
165.09117	100.0
166.09451	9.3
167.06982	0.5
173.09644	0.5
175.11177	0.8
177.09109	2.3
177.12817	0.4
178.09654	1.0
187.11119	1.3
190.09856	1.1
191.10657	1.9
192.11076	1.4
201.12801	0.6
202.13097	0.4
205.12270	7.8
206.12651	1.5
219.13658	0.5
220.14180	0.8
285.92017	0.4
430.38022	65.8
431.38531	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	431.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
67.05489	1.0
69.03420	0.7
69.07064	1.2
70.06587	2.9
71.04995	0.7
71.30251	0.7
71.42565	0.5
72.08155	2.5
79.05479	0.9
81.07071	2.4
84.08141	2.6
84.91061	0.5
85.02904	1.3
85.08461	0.5
86.09708	5.5
91.05399	0.6
92.35110	0.5
93.07046	1.2
95.08606	1.8
97.06520	0.5
99.04436	0.7
105.07030	1.4
107.08597	1.2
109.10169	1.2
110.07169	1.9
114.03757	1.2
119.08557	0.6
120.08099	1.7
121.10160	0.7
125.09612	0.9
127.03912	1.0
129.10246	1.2
131.08592	0.9
136.07562	1.4
143.08530	0.7
143.39104	0.5
145.10097	0.7
147.11610	0.5
151.07547	0.7
157.10133	0.7
170.05928	0.6
185.04337	0.7
188.07076	0.6
207.11766	0.5
253.19472	0.7
269.17706	0.6
271.20639	1.3
275.45459	0.5
287.14670	1.4
347.15991	0.5
364.09665	0.6
369.18787	7.1
371.16833	2.3
413.17618	1.4
431.18878	100.0
432.19226	7.2
432.24426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
65.03948	6.7
67.05500	11.9
69.03425	7.7
69.07069	9.6
70.43401	11.5
74.19073	5.0
79.05495	25.2
81.07059	13.3
81.60545	4.9
83.04969	23.3
85.02912	13.0
89.23329	4.7
91.05479	18.7
93.07037	19.8
95.04960	13.1
95.08598	11.6
97.02904	6.8
97.06519	15.2
99.04453	9.2
105.07025	35.7
105.99831	5.1
107.04939	29.6
107.08568	13.0
109.06487	8.9
117.07020	6.1
119.08547	6.4
121.06499	30.5
125.06013	36.7
131.08549	11.8
139.07497	7.9
143.07065	22.1
145.06439	11.3
145.10114	42.8
147.11685	10.3
151.07513	9.3
157.10092	7.0
159.11731	14.4
163.11179	100.0
169.10135	5.9
173.09624	36.5
177.09065	6.1
177.12711	8.0
187.11156	20.8
191.10635	23.3
205.12245	17.9
211.90535	5.4
215.10721	24.2
233.11763	44.6
263.12729	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	431.25
Annotation	Ala-Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.42646	0.5
56.05014	1.1
69.07070	3.4
70.06595	4.5
70.27725	0.9
70.28110	1.0
72.08154	21.1
73.08455	0.7
74.06081	0.5
81.07020	0.6
84.04504	10.7
84.08149	2.8
86.09704	100.0
87.04478	1.0
87.10023	2.3
88.03985	2.8
89.06029	23.2
96.04504	0.6
96.08114	1.0
99.39148	0.4
102.05544	5.4
110.07187	0.7
113.07085	0.9
115.03873	0.5
120.08128	1.0
124.11230	0.7
129.06625	1.3
129.10245	2.1
129.48799	0.5
130.06584	0.5
131.07007	0.5
132.10231	1.2
133.08597	14.4
141.06606	1.6
141.10236	1.7
143.11826	1.6
148.06026	0.7
152.10727	0.7
156.10197	2.8
157.13377	1.9
170.06076	0.9
170.11778	2.0
171.11317	0.8
177.11229	4.0
183.11287	1.7
185.12886	1.4
185.16545	0.9
187.07129	0.6
187.14474	1.4
189.12349	9.6
197.12868	4.2
199.18051	0.8
201.12331	14.9
202.12668	0.5
203.13916	8.0
213.15916	0.8
215.11842	0.9
215.13908	15.4
216.14200	0.6
217.15489	0.7
217.87871	0.4
221.13896	0.7
225.12375	2.2
227.17575	0.8
229.11848	9.3
243.13368	8.5
245.11255	0.6
246.04440	0.4
247.13014	0.9
261.14401	0.5
265.16241	0.4
335.26962	1.4
338.20880	0.7
342.20181	0.6
371.22879	0.7
413.24326	0.6
415.25320	2.3
431.19116	0.9
431.25687	6.2
432.25916	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	431.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38841	0.2
52.33411	0.2
54.63393	0.2
55.05506	0.6
56.05035	0.5
60.04521	1.0
61.06260	0.2
69.03409	0.3
69.07069	1.7
69.26469	1.6
70.06593	1.5
72.08157	5.2
73.04749	0.3
73.08514	0.2
74.06097	0.3
74.70795	0.2
81.07053	0.2
84.04504	11.3
84.08142	0.8
85.02904	0.4
86.09702	100.0
87.10039	1.9
88.04001	0.7
93.07038	0.3
96.04493	1.0
98.02396	0.3
98.22646	0.4
102.05541	4.7
110.07151	0.6
113.07118	2.3
120.08115	0.5
129.10258	0.6
132.10197	8.3
133.10587	0.4
136.07570	0.4
141.06578	3.6
141.10210	0.3
143.11801	4.1
144.42586	0.2
156.10245	0.5
157.13359	0.3
159.07642	3.1
159.11359	0.4
169.06093	5.4
170.06461	0.3
171.11308	1.4
173.12822	1.3
183.11284	0.4
185.12947	0.2
185.16489	2.9
187.07137	10.9
188.07339	0.4
189.12390	0.5
195.02789	0.2
199.18095	0.4
201.12349	3.1
203.13991	0.9
213.15984	1.1
215.13828	0.3
219.13373	2.0
221.07565	0.3
229.11873	1.1
231.17104	0.4
245.18596	4.8
251.78259	0.2
254.14977	3.1
261.14487	0.5
272.16013	1.6
282.14432	2.1
299.20288	0.2
300.15582	3.9
300.18985	0.5
302.20624	0.3
367.23300	0.3
431.18604	1.4
431.25253	0.5
432.18799	0.4
432.25528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2501
Annotation	Asp-Val-Val-Val
Peak:m/z	Relative Intensity
52.26709	0.6
55.05496	0.6
56.05030	0.6
57.05809	0.8
57.13260	0.5
58.06597	1.2
69.07069	7.8
70.06586	6.1
71.28596	0.6
72.08150	4.1
75.05609	3.7
77.29288	0.5
84.04516	3.8
84.08163	1.5
86.09708	100.0
87.10036	2.6
91.05804	1.3
102.05547	2.1
108.47359	0.5
110.07146	0.7
124.98255	0.6
129.10298	0.6
130.05017	1.6
143.11792	15.0
143.12930	1.0
148.06041	6.0
159.09187	1.1
167.05603	0.6
170.06024	0.5
171.11288	6.7
189.12387	1.1
197.13002	0.6
199.18077	0.8
201.06700	0.6
213.15982	0.8
215.13988	1.2
239.17644	1.1
243.13463	1.5
245.11354	0.7
261.14474	19.5
284.19794	3.4
361.02673	1.1
413.26422	0.8
431.18903	3.6
431.27817	4.3
432.25571	0.9
439.16052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
56.05031	1.2
57.05817	0.6
57.73790	0.2
58.06606	0.4
60.04521	0.2
65.41161	0.2
65.41531	0.2
65.85032	0.2
67.67182	0.2
69.07069	4.2
70.06593	4.6
71.06934	0.3
71.29248	0.2
72.08154	39.5
73.08493	0.9
74.06077	1.7
83.06120	0.3
83.73357	0.2
84.04504	3.8
84.04969	0.3
84.08140	2.6
85.02884	0.5
85.08485	0.5
85.46288	0.2
86.09705	100.0
87.05585	0.2
87.10032	2.1
89.91750	0.2
91.05480	0.3
97.13177	0.2
101.07157	0.8
102.05544	3.0
102.07500	0.3
106.05022	0.4
110.07162	0.6
114.09171	0.4
116.07067	0.5
118.08678	0.3
120.08112	3.0
121.08438	1.0
128.07088	0.3
129.06606	0.7
129.10242	1.5
130.05002	0.4
130.06567	0.4
132.10210	0.5
134.08157	0.6
136.07561	0.5
143.11804	0.8
148.06062	0.3
155.08116	0.7
157.13376	1.8
170.06012	0.3
170.11823	0.3
171.11328	0.5
171.14966	0.7
173.09251	2.1
173.12823	0.4
176.10718	0.4
177.11021	0.3
183.11298	0.3
183.14917	0.4
185.12933	2.5
185.16489	23.7
186.16805	0.7
187.10759	0.5
189.12347	2.0
197.12869	1.0
199.14449	0.9
199.18134	1.2
201.08740	3.4
201.12360	2.4
213.12483	0.7
213.15977	20.5
214.16330	0.7
215.10422	0.3
215.13914	2.7
217.15559	0.3
219.13393	15.6
220.13800	0.6
221.12866	1.8
222.13168	1.7
227.17511	1.4
229.11783	0.8
231.17023	1.8
233.14958	0.4
234.18407	0.2
237.62064	0.3
243.13403	1.1
247.12897	2.3
249.12462	0.3
250.12715	0.5
252.19531	0.3
261.14310	0.5
270.20615	0.9
281.22238	0.5
289.91687	0.2
298.21414	0.5
300.15381	0.5
314.17126	0.4
314.20593	0.4
326.24319	1.6
332.21771	0.3
361.02380	0.2
413.26950	0.7
431.18741	0.7
431.25012	0.3
431.30704	0.5
431.81232	0.2
432.25772	0.7
437.69006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19283	7.1
51.34018	6.5
53.03929	7.7
55.05509	30.3
57.07088	14.2
59.05002	7.5
67.05511	35.2
69.03440	11.3
69.07074	18.3
69.20612	22.5
69.21037	26.9
72.11977	5.5
79.05499	45.7
81.07057	57.1
83.08609	12.5
88.72695	6.8
91.05479	70.5
93.07043	64.7
95.04985	14.8
95.08609	49.7
97.06609	6.8
98.23339	15.6
105.07024	100.0
107.08593	46.2
109.10172	19.6
111.01588	6.7
115.05429	8.9
117.07030	28.8
119.08577	95.9
121.10145	58.9
123.11738	8.4
128.06238	19.8
129.06989	19.3
130.07820	11.8
131.08574	55.7
133.10123	39.0
135.08044	8.9
135.11708	9.1
141.06970	11.7
142.07787	30.2
143.08559	53.5
144.09351	14.1
145.10117	56.2
147.08022	8.5
147.11694	12.1
151.07542	9.4
154.07835	7.5
155.08586	23.4
156.09363	24.5
157.10124	50.2
158.07278	8.9
159.08081	10.6
159.11671	25.9
161.09639	20.2
161.13147	7.9
165.07022	8.3
167.07104	15.3
167.08534	15.0
169.10156	30.0
171.11705	19.5
173.09593	11.9
173.13248	14.5
175.11092	8.7
179.08556	12.3
180.09358	7.5
181.10136	13.4
183.11711	21.7
185.09605	13.2
185.13298	11.9
187.14870	8.3
193.10155	11.8
195.11713	25.7
197.13303	19.5
199.11154	13.9
199.14816	9.6
203.10703	9.2
207.11708	16.0
209.13344	15.3
211.11244	9.2
211.14792	9.1
213.12770	11.6
220.12491	6.0
221.13269	11.8
223.11185	9.2
233.15329	7.3
239.14323	8.6
241.15953	11.3
242.71599	6.8
245.12981	6.5
249.12756	8.8
249.16248	9.0
257.15390	8.6
297.18445	68.0
311.25787	11.2
431.29599	82.4
432.29840	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	431.3157
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
53.03946	1.0
54.69233	0.7
55.01868	2.6
55.05505	4.3
57.03424	1.9
57.07071	2.2
58.06606	0.8
63.52942	0.7
65.03944	1.5
67.05498	14.5
69.07046	10.2
70.06595	3.5
71.04995	1.3
72.08155	3.5
79.05489	7.8
81.07051	11.1
83.04967	1.3
83.08631	2.4
84.04516	0.9
84.08144	3.1
85.02909	1.1
85.06534	11.6
86.09692	6.4
91.05453	6.4
93.07045	11.5
95.04967	5.5
95.08599	11.8
97.06546	1.4
97.10165	1.4
98.23367	1.7
100.11245	2.7
105.07022	10.3
106.78062	0.7
107.08591	13.2
109.06519	2.5
109.10155	11.8
110.07153	1.9
113.05997	7.1
115.07583	0.8
117.07025	2.9
119.08571	7.2
120.08104	2.1
121.10138	18.1
122.10490	0.7
123.08048	2.2
123.11715	2.6
128.06181	1.0
129.07019	4.3
129.10277	2.2
131.08557	8.9
132.08083	1.2
133.10124	16.5
135.08057	1.0
135.11678	4.3
137.05956	1.2
137.09583	0.9
141.06985	1.1
142.07787	3.6
143.08557	5.3
143.10667	1.6
145.10095	13.9
147.11674	18.3
147.12753	1.4
149.09561	1.7
149.13266	1.6
151.07538	2.0
151.11174	2.7
155.08568	1.9
157.10118	37.7
158.10411	1.1
159.09181	2.3
159.11691	20.7
160.07567	3.9
160.12012	1.0
161.09641	1.2
161.13245	2.0
163.11195	2.4
169.10103	3.7
171.11665	9.6
173.13258	4.3
175.11174	9.0
176.11571	0.8
177.12779	2.1
182.15460	1.0
183.11644	5.0
184.12257	0.9
185.13210	4.1
197.13232	8.7
198.13835	0.9
199.14790	1.0
202.08664	6.4
209.13307	1.3
211.14838	4.4
212.15297	1.4
213.16307	3.3
219.11320	2.7
223.14857	1.4
224.15657	2.5
225.16513	3.7
237.16277	0.9
238.17128	2.5
248.23302	0.8
253.17245	1.0
253.19498	53.8
254.19850	4.1
271.20541	100.0
272.20856	7.7
283.24203	0.9
351.08533	3.9
352.13208	0.8
355.26257	11.6
395.29385	1.5
413.30475	40.3
414.30878	3.2
431.13022	1.4
431.26208	1.7
431.31586	9.1
431.83936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59542	0.6
54.39231	0.5
55.01865	2.0
55.05499	2.9
57.03425	1.2
57.07067	2.8
57.57196	0.6
67.05509	14.6
69.03413	1.2
69.07066	2.8
69.12868	2.6
69.13287	2.5
70.06587	2.4
71.04987	1.8
72.08151	2.1
79.05495	7.2
81.07056	10.4
83.04974	1.5
83.08627	1.6
84.08139	2.4
85.02917	0.8
85.06543	11.5
86.09718	3.1
91.05456	6.0
93.06474	0.9
93.07043	12.2
95.04985	3.8
95.08607	11.6
95.09216	0.4
97.06520	1.4
97.10158	1.0
100.07587	0.7
105.07035	10.7
107.08601	13.2
109.06508	2.8
109.10160	11.5
110.07150	2.6
111.08101	0.9
113.06013	7.0
115.05464	0.7
115.07567	0.8
117.07020	3.4
119.08585	6.5
120.08095	0.9
121.06507	0.8
121.10142	18.3
123.08070	2.5
123.11684	1.8
125.09628	0.8
129.07008	3.8
129.10191	0.8
131.08562	8.4
133.10136	15.0
134.10551	0.7
135.11676	3.4
136.07600	0.8
137.09575	1.2
141.07004	1.3
142.07787	3.2
143.08554	6.3
143.10687	1.8
145.10110	12.3
147.08000	1.1
147.11684	17.8
149.09634	2.6
149.13293	1.4
151.07556	1.6
151.11182	2.7
155.08578	2.4
157.10126	38.3
158.10497	2.3
159.11687	18.7
160.07578	0.8
160.12077	0.9
161.09601	1.1
161.13235	2.6
163.11172	2.1
167.10747	0.7
169.10100	2.7
171.11713	9.2
173.13271	4.7
175.11180	7.4
177.12762	1.3
183.11746	4.3
184.12303	0.6
185.13300	4.0
187.14835	1.8
191.10715	0.8
195.11703	0.8
195.13548	0.7
197.13229	7.6
199.14864	1.0
201.16408	1.1
202.08640	1.3
209.13339	0.9
211.14772	6.0
212.15427	1.0
213.16391	2.1
219.11223	1.2
223.14912	1.0
224.15585	2.7
225.16307	2.8
238.17123	1.4
242.16652	1.1
253.19519	51.9
254.19901	5.5
271.20563	100.0
272.20917	9.0
283.24359	1.1
355.26294	10.6
355.30408	1.0
356.26654	0.7
361.02484	0.7
395.29373	1.3
413.30475	35.5
414.30786	4.5
431.17810	0.8
431.25488	1.2
431.31494	6.8
432.19315	0.9
432.31982	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	431.3158
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
51.02372	0.5
53.03944	0.6
55.01878	2.1
55.05508	2.4
57.03448	1.6
57.07076	2.2
58.36962	0.3
65.03934	1.1
65.49085	0.3
65.94050	0.3
67.05503	17.0
69.03419	0.6
69.07063	2.6
70.06590	1.0
71.04984	1.4
71.22136	0.5
72.08141	0.6
79.05489	7.1
81.07055	10.7
83.04977	0.7
83.08604	1.4
84.08108	0.7
85.02895	0.3
85.06543	14.1
86.09705	1.0
91.05469	7.3
91.05999	0.5
93.07045	12.4
94.07364	0.5
95.04967	5.9
95.08603	11.6
97.05984	0.3
97.06513	1.5
97.10177	1.4
104.60870	0.2
105.04513	0.3
105.07028	11.8
106.07298	0.4
107.08590	13.8
108.08932	0.4
109.06527	3.1
109.10151	13.2
110.07143	0.9
110.10479	0.5
111.08071	0.9
113.06006	7.1
115.05386	0.6
115.07561	0.6
117.07023	3.9
119.07773	0.6
119.08576	7.6
120.08069	0.5
121.06500	0.6
121.10139	21.9
122.10458	0.7
123.08051	1.5
123.11686	1.8
125.09626	1.1
127.03877	0.3
128.06226	1.1
129.07021	3.6
129.10231	0.4
130.07785	0.6
131.07094	0.6
131.07469	0.5
131.08557	11.3
133.10129	19.3
134.10464	0.8
135.08054	0.8
135.11694	4.8
137.05916	0.3
137.09569	0.8
141.05437	0.3
141.06982	1.5
141.09103	0.4
142.07771	5.1
143.08569	7.9
143.10657	1.7
144.09290	0.9
145.10121	15.7
146.10477	0.6
147.11687	22.3
148.12024	1.0
149.09621	2.6
149.13226	1.4
151.07555	1.1
151.11174	2.9
152.07864	0.4
155.08569	2.7
156.09239	0.6
157.10121	47.6
158.10460	1.5
159.11690	24.5
160.12070	1.2
161.09608	0.9
161.13274	2.6
163.11165	2.1
165.12805	0.4
167.08450	0.3
167.10680	0.7
168.09398	0.3
169.10117	4.1
170.10745	0.4
171.11693	10.1
172.12076	0.4
173.13248	5.1
174.13672	0.3
175.11185	9.5
175.12698	0.6
175.14766	0.5
177.12790	1.5
178.09361	0.3
181.10194	0.5
182.10974	0.7
183.11705	5.0
184.12383	0.5
185.13255	5.2
186.13774	0.4
187.14786	1.4
189.12706	0.4
191.10616	0.3
192.11055	0.4
195.11696	0.6
196.12521	0.9
197.13257	9.1
198.13766	0.7
199.14818	2.2
201.16379	0.6
209.13226	1.5
211.14827	7.4
212.15498	1.0
213.16391	2.7
215.14142	0.5
223.14886	1.4
224.15570	2.9
225.16354	3.9
227.17897	0.5
237.16396	0.7
238.17148	2.0
242.16602	0.8
251.17987	0.9
253.19507	64.1
254.19868	4.3
269.18976	0.6
271.20554	100.0
272.20917	7.8
272.23538	0.2
283.24289	1.6
355.26300	10.8
356.26782	0.9
359.27057	0.4
377.28250	1.0
395.29431	2.0
413.30478	35.9
414.30823	3.9
418.64035	0.3
431.18390	0.6
431.26758	0.5
431.31635	8.5
432.18439	0.4
432.31851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55930	0.8
55.05517	6.3
57.03426	1.6
57.07077	26.5
67.01842	1.6
67.05512	4.7
69.04430	7.5
69.07066	10.2
71.08631	16.2
76.90513	0.7
79.05486	2.3
81.07056	11.5
83.04978	2.3
83.08609	6.0
85.10192	11.2
91.05472	3.6
93.07038	7.0
95.04958	1.9
95.08037	1.3
95.08601	11.3
97.10153	4.7
105.07025	3.4
107.08573	2.3
109.06532	3.4
109.10162	5.1
111.11724	2.4
117.07028	0.7
119.08592	3.4
121.06518	3.4
123.04533	0.7
123.08089	4.5
123.11716	2.5
128.06192	0.7
131.08545	2.2
133.06474	1.3
133.10127	1.4
135.08051	2.2
137.05978	18.2
137.09610	1.1
138.06738	3.3
139.03931	1.2
139.07550	5.1
143.08519	1.5
145.10143	0.7
147.08043	4.2
149.06003	5.3
151.07545	36.6
157.10141	1.9
159.08064	3.5
161.05974	5.1
161.09660	3.4
163.07500	0.9
165.05493	11.4
165.09122	12.7
165.16359	1.0
166.06282	2.6
166.09401	0.9
167.07042	100.0
168.07394	2.4
171.11694	1.4
173.09639	0.9
174.06799	1.2
175.07545	6.0
175.11221	2.6
177.09087	4.9
178.06259	1.2
179.07028	4.9
179.10733	3.9
181.08583	5.1
188.08366	1.8
189.09128	7.7
189.12753	2.3
191.07068	1.8
191.10689	2.2
192.07809	2.6
193.08609	10.2
195.10182	1.6
202.09799	0.9
203.10663	6.0
205.12129	0.9
205.21936	0.8
207.10168	12.8
216.76126	0.8
217.12257	3.7
221.11681	5.1
231.13885	2.5
235.13283	2.7
245.15340	1.3
249.14789	1.4
285.71725	0.8
287.20386	1.0
291.19565	1.4
305.21259	1.6
325.43835	0.8
333.24216	1.3
339.04919	0.7
373.39627	0.8
375.28790	0.9
403.36044	1.1
413.33957	3.8
431.35184	26.8
432.35785	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
56.05044	3.7
57.03438	14.1
60.04526	6.1
60.65703	2.3
67.05499	5.9
69.03429	57.5
69.07063	5.5
70.06593	31.5
72.08157	37.6
73.02905	3.9
73.08486	5.1
73.11630	2.3
74.06071	2.3
75.04481	2.9
81.03416	6.0
81.07035	3.5
84.04498	2.6
84.08137	9.1
85.02902	45.6
86.09703	100.0
87.04476	36.5
87.10043	18.6
88.03987	2.6
91.05446	3.2
93.07075	3.1
97.02894	47.3
99.04442	5.8
102.05525	2.8
103.03944	3.1
105.07037	3.1
107.04959	6.0
109.02867	6.7
110.07153	13.5
110.09693	3.3
115.03925	60.0
116.07093	11.4
117.07006	3.0
120.08103	31.5
121.02893	2.5
121.06504	23.5
127.03924	17.3
128.10730	19.8
129.10248	4.6
130.06528	9.1
132.08051	11.7
132.10197	4.2
133.04961	58.0
141.10228	2.4
143.11830	6.8
144.08092	10.7
145.04942	5.0
150.07617	8.0
159.09172	31.9
159.11281	4.1
164.98384	2.8
170.05992	5.7
171.11258	2.6
173.12926	6.0
174.13205	3.2
188.07127	4.7
200.13838	3.4
201.12361	12.2
202.12680	9.8
203.13893	5.4
204.14310	5.1
205.09691	3.3
229.11784	6.8
230.12213	5.1
231.17111	2.9
232.17465	3.6
245.09189	18.0
262.11935	11.5
271.06161	3.0
283.05978	10.1
301.16251	3.3
313.07278	2.7
362.66922	2.9
432.19196	2.9
435.22824	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	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.05512	3.3
57.03418	2.6
65.03945	1.9
69.03430	16.7
69.04986	4.9
69.05396	9.7
70.06325	1.5
70.06597	18.5
71.04989	5.3
72.08156	14.5
73.02916	4.2
73.08467	1.8
81.03413	16.2
83.05018	1.7
84.08150	3.8
85.02903	73.7
86.09706	31.9
87.04452	2.2
87.10056	2.1
91.05478	65.5
92.05858	2.1
97.02892	29.7
98.23466	1.6
99.04453	44.1
99.88558	1.8
103.03942	93.4
109.02888	20.9
110.07152	7.7
120.08107	7.3
127.03913	100.0
127.08649	1.8
128.04309	2.5
128.22693	1.6
129.06976	2.6
129.10229	2.9
130.06526	2.4
137.42767	1.5
141.10245	2.3
145.04953	61.4
155.11743	4.7
156.98573	1.6
159.09207	6.5
162.02209	1.8
163.06012	42.3
170.06117	2.0
183.11301	4.0
187.06032	4.8
188.07079	4.9
199.07600	2.9
200.13916	10.6
205.07133	3.9
217.08601	5.2
222.75990	1.6
228.13411	3.2
263.13876	4.0
271.08157	5.8
289.09122	4.2
307.10309	4.7
319.75574	1.6
432.26257	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	432.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	44.6
69.98666	1.6
70.06590	1.7
71.95259	1.1
72.08153	2.1
72.96049	5.5
74.06068	0.5
74.97591	0.9
83.97642	2.7
84.08147	7.8
84.96041	2.6
85.08469	0.4
86.09705	5.2
97.99191	0.6
98.97585	0.5
109.05997	0.3
110.07104	0.3
110.97580	1.1
112.08723	0.4
115.00660	0.8
117.06570	0.4
124.00713	0.9
126.02296	3.7
128.97365	0.6
128.98633	1.0
129.10240	6.5
140.03833	7.0
142.05388	7.5
142.08592	0.5
144.03328	1.2
147.03352	0.4
153.02226	0.9
158.04890	7.9
160.06465	11.5
161.04863	0.8
170.04892	7.0
171.03308	5.4
172.06415	0.4
174.97749	0.4
176.05965	1.4
178.07565	1.9
185.96065	0.4
187.10786	1.2
188.04247	0.4
188.04556	0.2
188.05940	10.5
189.04353	13.1
190.04749	0.5
206.07007	26.6
207.05385	4.8
207.07170	0.7
218.15009	1.8
224.08058	25.5
225.08327	0.7
257.15158	0.5
273.14890	1.0
275.12726	0.4
283.13226	0.5
284.11700	1.0
288.05762	0.6
291.15942	0.7
300.82480	0.4
301.14304	19.4
302.12204	1.9
317.21710	0.6
319.15387	100.0
320.15897	5.5
330.07135	0.8
337.16458	14.7
338.16742	0.8
342.07101	0.5
342.16928	1.2
432.24948	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	432.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.4
56.05039	3.3
57.05809	0.9
58.06585	0.8
60.04528	4.6
69.03432	1.2
69.06715	1.1
69.07062	8.4
70.02948	2.3
70.06591	25.5
71.04983	0.7
71.06916	3.4
72.08154	65.1
73.08488	3.4
74.02437	0.7
74.06081	4.5
79.15063	0.6
80.05012	0.6
82.06577	1.2
83.06102	2.3
84.04507	5.8
84.08141	9.1
85.02913	1.0
85.04025	2.0
86.09704	100.0
87.04460	0.6
87.05590	9.8
87.10034	4.1
88.03997	3.6
90.05542	2.5
93.06996	0.7
95.06093	0.7
96.08130	5.0
98.02412	5.2
98.22618	1.3
99.09244	0.8
101.07157	1.2
102.05531	3.8
106.74494	0.6
110.07162	12.1
110.07865	1.0
110.09676	2.0
112.07617	0.9
112.08723	1.5
113.10765	2.0
115.08687	1.5
116.07111	3.0
116.55557	0.6
119.08169	0.8
120.08092	4.6
124.07545	1.2
127.03902	0.9
127.08712	3.2
127.09530	0.7
128.10750	1.5
129.10231	7.2
130.05016	1.2
130.06480	1.4
130.08652	1.2
132.10153	1.1
132.91449	0.7
133.06067	4.8
136.07597	1.4
138.05486	0.9
138.09183	3.4
138.10112	0.6
141.10222	15.3
143.11758	0.8
147.07610	1.4
155.08145	1.3
155.11783	15.6
156.07660	0.8
157.09750	1.4
159.07635	1.0
159.09181	0.7
159.11351	1.9
163.03857	3.2
169.09662	1.6
171.11349	0.7
171.14899	1.0
172.15242	0.9
173.09302	1.4
173.11472	0.9
173.12872	6.5
181.05042	0.8
183.11287	10.7
183.14919	0.8
185.09233	1.7
185.16570	1.4
186.09509	0.7
186.12344	5.8
186.16701	0.7
187.10773	3.4
188.07108	0.8
195.14940	1.2
199.18024	1.5
200.13937	53.8
201.12364	5.9
201.14325	1.7
203.13860	0.8
205.11800	5.1
207.09802	0.6
212.06847	0.7
212.10231	0.8
213.12296	0.7
213.15962	0.9
214.11768	3.0
215.10355	1.8
215.13905	1.4
216.09711	0.6
219.13373	1.4
222.15999	0.8
228.13423	26.4
229.11804	1.3
229.13882	1.5
230.11459	1.0
231.09732	1.0
232.12959	2.8
233.15036	0.6
246.14615	2.1
246.85852	0.7
251.14987	1.3
268.16534	1.0
270.04404	0.8
282.18066	1.3
299.20633	0.6
309.19241	0.6
327.20209	8.1
328.18665	1.2
399.12714	0.7
414.23917	0.9
432.26062	4.1
433.16861	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	432.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97146	7.2
52.98689	8.5
59.55206	7.4
67.05497	12.4
70.06607	15.7
71.30051	10.1
72.08165	11.0
78.71952	7.0
79.05460	9.8
81.07048	31.1
83.08636	7.1
95.08569	13.1
103.97431	7.5
105.06984	10.3
110.07143	17.1
111.04415	13.3
125.06024	12.4
135.08057	8.3
137.05994	72.8
174.87514	7.5
277.17966	77.0
342.79138	8.0
351.21677	100.0
351.74551	8.2
352.21899	10.4
369.22711	31.3
373.27261	7.9
432.19092	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	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.12378	0.2
53.03941	0.4
55.05524	0.2
56.05025	0.3
67.01854	0.6
67.05502	0.2
68.99805	0.3
69.03426	0.8
69.07069	0.2
70.06590	2.5
71.04981	0.3
71.30144	0.2
72.08138	0.7
81.03415	1.5
82.30407	0.1
83.04962	0.2
84.08131	0.2
85.02903	1.1
86.09705	2.0
91.05487	0.5
93.07036	0.4
95.08577	0.2
97.02885	0.8
99.04456	0.5
103.03863	0.2
104.05367	0.2
105.06987	0.2
107.08601	1.0
109.02884	1.8
109.10106	0.2
110.07157	0.2
116.07092	0.4
116.81918	0.2
118.06503	0.1
119.04952	2.1
119.90771	0.2
120.08115	2.0
121.02831	0.8
127.03914	2.2
129.10216	0.2
132.08105	0.3
135.08072	0.2
143.11819	0.2
145.02864	0.5
146.06012	0.3
153.01825	5.2
159.11720	0.2
163.03880	0.4
167.10654	1.3
171.02922	0.5
171.11453	0.2
181.04768	0.2
187.05995	0.9
188.07043	0.5
201.12326	0.3
205.09665	0.2
225.05515	0.6
229.04968	0.4
229.07039	0.2
229.15483	0.6
233.76605	0.2
243.06633	0.3
271.05994	100.0
272.06354	7.1
287.13593	0.2
291.36258	0.2
347.22211	0.2
434.20389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01870	4.0
55.05511	8.5
56.05037	4.7
57.05815	0.7
58.06606	1.4
58.99585	1.7
60.04526	1.2
65.03951	1.3
67.05501	2.3
68.99807	1.1
69.03430	2.2
69.07063	2.1
70.06590	14.5
70.55399	1.4
71.05002	0.8
72.08154	93.2
73.08482	2.2
74.06075	1.4
79.05486	2.3
81.03416	2.3
81.07060	5.0
82.06583	0.6
83.04980	0.7
83.08662	0.9
84.04501	31.0
84.08145	3.9
85.02909	4.7
86.09705	26.1
86.99055	0.9
87.10044	1.5
89.06010	1.0
91.05469	4.9
93.07045	2.4
95.04948	1.2
95.08607	2.7
96.08179	0.9
97.02875	1.8
97.06509	0.9
98.06075	0.9
99.04453	2.4
102.05542	21.9
105.07025	1.9
106.06551	0.7
107.04952	5.2
109.02866	2.1
110.07158	2.1
110.09659	1.7
111.04436	0.7
113.10814	0.8
114.09127	0.7
115.05486	1.1
116.01682	4.1
116.07138	1.7
117.05791	1.1
117.07034	1.9
118.06539	10.4
119.04937	4.7
120.08096	4.2
121.02871	18.6
121.03827	1.2
121.06483	1.9
121.10144	0.7
127.03902	4.3
127.08614	0.6
129.06723	0.7
129.10275	1.9
130.06531	4.8
131.04915	0.9
131.08530	0.8
132.08110	10.4
133.06491	1.0
135.04439	1.5
136.07573	18.0
138.09134	14.1
141.06880	0.8
141.10194	2.8
142.06511	2.1
143.04976	0.6
143.07246	1.6
143.11798	3.6
144.01146	1.9
144.08078	10.4
145.02821	3.6
145.04922	0.8
145.06496	1.1
145.08444	0.9
146.06006	46.3
147.04428	2.4
147.06358	1.7
149.05981	1.1
155.11812	2.3
156.10175	11.8
157.06538	1.2
158.08382	0.8
159.09172	26.7
160.07538	1.3
162.02182	4.9
163.03925	0.8
169.13438	0.7
170.06018	4.4
171.04378	0.9
171.07680	1.0
171.11261	3.1
173.05934	1.2
173.09225	1.7
173.12816	0.9
175.03928	2.7
183.11287	26.6
184.08046	0.8
184.09602	0.7
184.11485	1.2
185.05966	1.9
187.08675	4.2
188.07062	100.0
189.01779	1.2
189.05598	0.9
189.07379	3.5
193.12305	0.8
195.02814	0.7
196.11229	0.7
197.05957	1.3
201.05544	1.0
201.10722	1.9
201.12335	49.9
202.12646	1.9
203.03391	15.9
204.03694	1.0
205.09723	57.7
206.10069	2.6
211.10786	8.1
213.05499	4.2
215.03502	1.5
215.90477	0.7
216.06396	0.7
217.04948	4.2
217.12117	0.8
221.04430	4.0
227.03409	0.9
228.08060	0.7
229.11806	15.7
231.02914	1.6
231.06580	1.7
233.04420	0.8
233.14745	0.7
235.13235	1.1
236.20078	3.9
241.04935	3.5
243.80318	0.7
245.04480	1.2
245.18611	0.8
249.89662	0.7
254.21121	13.0
254.23622	1.2
255.06383	0.8
259.06009	1.8
263.14169	1.1
269.04364	3.0
272.17670	1.3
272.22195	23.1
273.03928	1.1
283.06021	7.9
284.06625	3.1
287.10629	1.8
287.13815	0.9
293.07996	0.9
295.06088	3.2
297.04016	1.1
297.07465	2.6
301.08575	0.8
303.10019	1.1
304.13251	1.8
304.16534	2.9
305.07999	1.4
307.06091	3.5
307.09244	1.0
308.06714	2.0
309.07437	1.7
313.06931	6.6
316.13000	1.6
317.07919	1.0
317.25134	0.9
320.06763	0.9
321.07562	22.8
322.08038	1.9
323.09061	2.5
329.08002	1.5
331.09827	0.9
333.07480	3.7
334.08182	0.9
334.17590	2.3
335.09033	7.7
336.06207	5.3
336.09753	0.9
337.07089	4.2
337.28482	0.8
343.08768	1.2
345.07565	2.4
346.08054	0.9
347.08896	1.3
349.02774	1.5
349.07053	28.8
349.10675	1.6
350.07361	3.7
351.08490	2.1
356.38715	0.7
357.07959	1.0
358.08084	1.5
359.09100	14.4
360.09497	1.4
361.06830	3.6
363.08548	10.9
364.08966	1.3
367.07928	2.0
369.07556	0.8
371.09109	2.5
373.06976	2.4
377.10086	3.5
379.08145	5.7
387.08606	20.1
388.08926	2.7
391.08148	4.7
397.09213	3.4
397.18549	1.3
398.25235	1.4
403.08170	1.3
405.09674	6.4
415.07990	24.1
416.08441	3.0
416.26071	1.5
433.09134	74.4
433.25729	4.3
434.09448	10.1
434.27383	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03307	0.7
55.05503	3.3
55.47705	0.9
57.03447	5.1
57.07080	20.5
67.05508	4.9
67.44187	0.8
69.01871	0.9
69.07061	3.8
69.17873	4.9
71.08632	15.1
72.20127	0.9
79.05516	1.0
81.07059	4.7
83.08623	3.5
85.10180	7.0
95.08607	8.6
97.10183	2.0
107.08566	0.9
109.10143	3.2
113.00021	2.9
120.96640	26.9
161.38867	0.8
163.82278	0.9
169.02654	2.6
171.03130	1.0
176.99228	2.5
181.46971	1.0
195.00327	11.3
239.23686	1.1
257.24707	1.0
313.27353	50.4
314.27713	4.2
335.25668	2.8
353.26578	3.9
373.09445	0.9
386.59155	1.0
415.22165	12.0
416.22452	1.1
422.56851	0.8
433.23257	100.0
434.23801	8.6
437.52332	0.9
459.49597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25719	1.5
55.05514	2.3
57.03415	3.7
57.07073	11.8
67.05509	3.5
69.07056	4.9
70.06599	2.0
71.08647	8.2
81.07058	5.9
83.08615	3.4
85.10191	3.4
93.07036	3.4
95.08616	5.8
103.53249	1.6
105.07017	2.5
109.10158	2.8
119.08633	1.8
120.96625	13.7
123.73203	1.6
138.63004	1.5
143.85333	1.4
176.99219	2.0
195.00330	9.0
288.90469	1.9
313.27338	27.0
314.27524	1.8
353.26666	3.7
415.22238	13.1
433.23282	100.0
434.23886	8.7
443.08841	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	433.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23811	0.6
55.05507	2.0
57.03430	1.8
57.07076	12.4
62.70035	0.6
63.40236	0.5
67.05508	3.4
69.07059	2.5
69.34109	4.5
71.08631	7.3
79.05478	1.3
81.07062	4.6
83.08614	2.7
85.10184	4.6
90.86054	0.6
91.05527	0.6
93.07055	1.3
95.08610	6.7
97.10161	1.4
98.22645	1.1
98.98448	0.6
105.07021	1.1
107.08556	0.7
109.10159	3.2
120.96643	13.1
121.10132	0.6
123.11729	1.6
131.74098	0.6
147.11726	0.7
155.01039	0.8
165.09256	0.7
176.99234	1.7
195.00305	9.9
261.56580	0.7
269.64621	0.6
313.27356	29.3
314.27673	2.2
335.25607	1.0
353.26471	2.9
381.82571	0.7
415.22183	10.0
428.48450	0.6
433.23245	100.0
434.23541	7.6
434.29291	0.5
449.72366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52789	1.8
50.97585	1.9
51.17953	1.8
52.13999	1.6
53.03944	2.2
55.01874	6.3
55.05518	14.3
57.03442	9.3
57.07083	3.6
58.78854	1.7
60.18259	1.7
62.67794	1.7
65.03947	2.5
65.21941	1.7
67.05511	61.7
69.05145	14.6
69.07088	11.5
79.05502	34.7
81.07063	68.3
83.04993	2.4
83.08634	6.0
91.05492	15.9
93.07047	46.4
95.04982	3.4
95.08614	49.0
97.06544	5.2
97.10166	3.3
98.98473	100.0
103.25668	2.1
105.07043	19.7
107.08595	29.1
109.10168	26.7
111.08102	2.3
113.48961	2.0
117.07018	5.0
119.08590	11.2
121.10149	24.9
123.11708	12.3
125.09626	1.9
131.08563	12.0
133.10103	9.9
135.11708	17.4
137.13318	2.8
145.10144	9.8
147.11717	6.4
149.13268	11.1
151.14877	2.1
155.01027	12.5
159.11687	7.7
161.13278	9.0
163.14803	9.5
173.02129	18.7
173.13222	8.6
175.14807	2.2
177.16373	2.0
187.14830	6.4
189.16426	2.0
202.09692	1.8
233.22665	3.9
243.21072	17.1
261.22174	52.0
262.22449	5.3
279.23270	9.5
291.23474	2.1
317.24704	7.7
335.25842	84.7
336.26089	7.2
353.26907	4.6
415.21957	1.8
433.23199	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	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.01334	1.6
55.01876	2.6
55.05517	11.8
57.03442	8.0
57.07078	4.7
65.03923	2.1
67.05506	46.9
69.07076	13.5
70.06611	3.6
71.04989	2.2
71.30386	1.9
75.04451	1.7
79.05498	33.1
80.40855	1.9
81.07057	55.4
83.08634	9.3
85.06544	3.1
91.05477	20.6
93.07044	41.1
95.04976	6.1
95.08603	41.0
97.06529	4.6
97.10183	3.8
98.98467	100.0
99.08054	2.5
105.07028	20.1
107.08601	28.2
109.06516	4.9
109.10164	19.0
111.08076	2.3
113.09656	2.0
116.99483	2.6
117.07014	7.5
119.08578	16.9
121.10143	24.6
122.10618	1.5
123.08084	3.8
123.11697	10.5
127.22631	1.6
129.06984	3.3
131.08542	12.6
133.10141	12.7
135.11688	19.1
137.05977	2.2
137.13309	4.2
140.99463	4.3
143.08563	4.6
145.10101	11.8
146.63834	1.5
147.11673	8.4
149.13254	12.4
151.14903	3.0
155.01054	20.9
155.08606	1.8
157.10158	4.2
159.11661	10.1
161.13287	5.2
163.14851	9.3
171.11711	2.7
173.02119	17.7
173.13232	10.0
175.14862	4.1
177.16426	5.1
185.13432	2.1
187.14822	3.9
193.10110	2.3
195.11679	2.5
197.02086	3.3
197.13345	2.8
201.16379	3.6
207.11656	2.0
215.18036	2.3
220.12489	2.0
233.13208	1.9
233.22530	4.3
243.21071	16.6
261.22153	55.1
262.22543	4.8
279.23221	2.7
317.24918	9.6
335.25775	43.7
336.26245	3.6
415.22156	3.3
419.67685	1.6
433.27240	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	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.64938	1.7
53.03947	3.3
55.05513	11.4
57.03442	10.5
57.07085	4.4
67.05508	58.7
69.07066	11.4
69.60107	5.5
69.60523	5.3
71.04996	1.9
79.05499	35.0
79.05955	3.2
81.07059	60.4
82.07382	1.8
83.08618	4.8
91.05484	19.6
93.07043	44.8
95.04930	3.1
95.08614	44.1
97.10162	3.1
98.23266	2.2
98.98469	100.0
99.08112	3.2
103.37000	1.9
105.07021	14.2
107.07931	3.2
107.08598	26.8
109.10157	22.6
116.99564	2.4
117.07008	5.3
119.08591	13.0
121.10146	22.9
122.10522	2.0
123.11708	10.6
124.25012	1.6
126.31687	1.6
131.08571	9.2
133.10114	8.3
135.11688	12.8
137.13263	3.0
141.65309	1.9
145.10123	10.9
147.11673	5.9
149.13254	10.8
155.01048	7.6
159.11696	7.0
161.13283	2.7
163.14774	8.6
173.02112	14.5
173.13287	4.8
175.14786	2.7
187.14876	3.1
215.55542	1.7
243.21219	11.1
261.22144	44.5
262.22433	4.9
297.89709	2.0
317.24814	8.5
335.25797	76.3
336.26093	8.1
368.62280	1.9
415.22061	2.4
445.61157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05514	14.9
55.40261	4.2
57.03444	9.1
57.07079	7.3
64.58923	3.3
66.51725	3.3
67.05512	60.5
69.07080	11.8
70.13151	8.5
79.05505	44.2
81.07067	59.7
83.08620	6.4
91.05489	22.6
93.07063	57.6
95.08626	49.3
98.98481	100.0
105.07053	20.2
107.08596	32.1
109.10167	21.4
111.08054	4.9
113.09626	4.5
117.07047	6.1
119.08589	15.7
121.10163	30.0
123.11715	9.5
131.08591	19.1
133.10120	12.5
135.11700	19.5
145.10133	14.6
147.11707	10.9
149.13297	14.3
151.14795	4.5
155.01054	18.7
159.11710	9.4
161.13293	6.9
163.14836	14.1
173.02122	15.6
173.13304	9.7
175.14908	3.8
177.16432	4.7
179.24457	3.4
187.14819	6.4
233.22539	6.0
243.21155	31.9
244.21555	5.0
261.22177	68.7
317.24725	9.7
335.21777	4.5
335.25836	81.5
336.26166	6.7
338.40988	3.7
353.97119	4.2
373.17056	3.8
398.75378	4.5
402.42770	3.6
415.21817	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33802	1.9
53.03942	2.6
55.05503	11.7
57.03435	5.3
57.07071	2.9
66.21098	2.1
67.05506	50.3
69.07051	10.0
70.33331	4.5
71.08621	2.7
71.59228	2.1
79.05496	35.8
81.07059	53.0
83.08598	7.7
91.05473	18.1
93.07042	49.9
95.04968	3.4
95.08046	3.5
95.08610	43.7
97.06547	3.5
97.10197	3.9
98.98467	100.0
105.07030	15.7
107.08589	35.4
109.06506	2.6
109.10166	16.1
111.08100	3.4
113.09597	4.2
116.99548	3.3
117.06998	8.9
119.08608	16.7
121.10124	24.5
123.11703	8.5
131.08600	13.0
133.10130	13.2
135.11681	15.4
137.13281	3.8
137.79959	1.7
139.11214	2.4
141.02708	2.0
145.10149	10.9
147.11694	7.1
149.09691	2.0
149.13266	13.4
155.01062	24.6
155.02257	3.1
159.11676	10.8
161.13269	8.5
163.14789	11.4
173.02069	16.4
173.13326	11.8
177.16397	4.0
187.14766	6.5
188.15077	2.2
233.22653	6.4
243.21094	27.1
244.12317	2.5
244.21294	2.5
260.52917	2.1
261.22153	61.0
262.22354	4.9
317.24802	7.5
335.25787	40.9
336.26328	3.3
344.15244	3.0
353.98315	2.1
358.82959	2.2
415.22314	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
53.45211	0.5
54.02034	0.5
55.01905	0.5
55.05510	8.9
56.05029	2.4
57.03433	0.5
57.05820	1.2
59.94691	0.4
60.04529	1.2
69.03422	0.6
69.07060	1.0
70.06589	24.1
71.06921	0.6
72.08153	74.5
73.08486	1.3
79.05508	0.9
81.03400	0.8
81.07064	1.0
83.06128	0.5
84.04501	6.7
84.08154	3.0
84.08577	0.5
85.02885	1.0
86.09701	10.8
86.10177	0.9
87.10050	1.1
88.12179	0.5
91.05456	1.1
93.06141	0.5
93.07053	1.0
95.08601	1.1
102.05536	4.8
103.05471	1.5
104.05270	0.5
105.07026	0.8
109.10145	0.6
110.07173	3.5
116.07088	36.2
117.05751	0.7
117.07445	0.6
118.06530	1.7
118.08665	1.1
120.08099	100.0
120.24078	0.5
121.02819	0.5
121.08453	3.6
127.03911	2.1
127.08624	0.7
129.10219	1.8
130.06528	2.8
132.08073	3.2
136.07561	1.3
138.09145	2.3
139.05009	0.6
141.10210	1.1
142.06523	0.5
143.11774	1.1
144.08066	2.8
146.06007	6.0
155.11874	0.6
156.10217	1.2
157.06136	0.9
159.09172	4.9
162.02216	1.1
169.09688	1.1
170.05994	1.3
173.09196	0.7
183.11324	4.4
187.08618	0.8
188.07060	15.4
189.07393	0.8
191.11775	42.8
192.12056	2.0
201.12340	8.9
202.12631	0.9
203.03342	0.6
205.09718	9.2
211.10884	1.2
215.13898	13.8
219.11273	62.5
220.11650	3.0
225.10347	0.5
229.11789	3.0
236.20107	0.6
254.21045	2.1
266.15985	0.6
270.12390	1.2
272.22162	2.1
273.15961	2.8
280.10840	0.7
287.10703	0.5
298.11777	0.8
316.12997	0.7
318.18173	7.3
319.18146	0.6
337.27853	0.6
349.06909	0.6
359.08768	0.8
433.09238	1.9
433.25745	0.7
434.27213	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.0
59.04990	3.5
60.04551	3.3
61.02931	3.9
64.79597	2.5
65.24650	2.5
66.08801	2.6
66.83896	2.9
69.03432	76.8
70.06594	10.9
71.28826	4.9
71.51156	2.6
72.08125	3.3
73.02928	6.2
75.04468	2.6
75.40437	2.8
81.03419	7.2
84.08163	4.0
84.52776	2.9
85.02908	61.9
87.04469	59.3
97.02898	69.4
97.21609	3.0
109.02907	4.1
115.03936	99.3
115.04745	5.0
127.03940	11.8
133.04971	100.0
134.80164	2.8
145.04939	12.8
150.07611	18.2
159.08063	4.0
181.68718	3.2
231.40300	3.3
259.08069	4.1
302.41815	2.9
333.28610	2.7
343.24182	3.6
422.55820	3.0
434.28577	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	2.1
57.03437	5.7
58.06606	3.1
69.03431	3.8
69.07049	1.8
69.38165	10.4
70.06597	21.0
72.08143	6.5
77.93935	1.8
78.33626	1.9
81.07066	5.3
83.08609	2.1
84.08144	9.2
85.02895	5.6
86.09700	5.5
91.05479	4.2
93.07040	3.2
95.08601	4.1
96.08155	2.2
103.05460	12.7
112.11271	2.0
119.04907	2.8
120.08083	5.5
121.06459	2.4
122.37823	1.7
123.04406	4.3
127.20052	1.9
127.98172	2.0
131.04930	37.2
133.16637	1.9
135.08017	2.3
137.05975	7.8
138.06728	6.4
148.05219	3.4
163.07539	24.0
166.06261	7.6
168.43422	2.1
173.09200	3.5
174.66267	2.3
181.08606	11.9
230.11461	2.8
236.20146	8.2
237.11247	3.1
246.98865	2.3
254.21114	16.7
255.12276	15.7
268.67819	2.1
272.22226	7.6
296.22183	7.5
314.23138	3.9
323.68619	1.9
384.20773	1.8
398.25369	6.2
416.26181	21.9
416.30820	2.2
419.03076	2.3
434.27490	100.0
435.27673	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
53.72144	0.9
55.01869	1.9
55.05494	1.1
55.09987	0.9
57.03436	24.5
59.04990	4.2
60.04526	2.6
61.02906	4.8
65.21935	0.8
69.00574	8.2
69.00903	1.5
69.03427	89.9
70.06596	9.1
71.01366	1.7
71.04992	1.2
72.08141	4.4
73.02914	2.7
74.06062	1.2
75.04510	1.1
81.03409	6.2
81.07056	0.9
83.04983	1.4
84.08148	1.6
85.02901	94.7
86.03246	1.7
86.09708	6.9
87.04466	59.1
87.10064	0.9
91.03967	2.8
95.05058	1.0
97.02886	72.6
98.03247	1.6
99.04485	4.3
101.02333	1.1
103.03955	1.9
105.07034	6.8
109.02859	5.5
111.04423	0.9
112.08758	1.4
115.03924	97.5
116.04278	1.5
116.07100	2.7
119.08574	1.1
120.08122	3.7
122.70448	0.9
123.04432	1.6
125.09596	0.9
126.09972	1.3
127.03907	18.2
129.10289	1.1
133.04958	100.0
134.05295	1.3
139.03853	1.2
145.04948	30.8
147.08058	2.5
150.07617	10.6
163.06026	12.5
168.83015	0.9
169.04877	1.6
171.08070	1.5
173.09311	1.4
173.12857	2.0
189.09084	2.3
192.03790	0.9
201.09222	2.0
201.12410	1.3
219.10159	1.5
226.25339	0.9
228.04335	0.9
231.09946	1.4
241.07063	3.1
249.11105	1.1
254.21245	1.7
259.08212	2.8
272.22314	2.0
277.09158	2.9
285.13367	2.5
293.96506	1.0
295.10403	1.7
434.09372	1.1
434.27029	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07845	1.2
56.05029	1.8
57.03435	10.9
59.05008	2.0
60.04514	2.5
66.24484	1.2
67.05532	1.9
69.00647	11.5
69.03427	36.2
69.07079	1.9
70.06593	35.5
71.06931	4.3
72.08154	18.4
73.08499	3.4
79.05505	2.0
81.03426	2.9
81.07053	2.1
84.04488	1.6
84.08147	4.9
85.02908	22.3
86.09711	21.5
87.03619	1.8
87.04467	17.3
87.10051	2.5
91.05476	1.7
93.07064	2.2
95.08589	1.7
97.02890	22.5
98.22556	2.3
99.04483	3.4
103.03943	1.4
103.05496	1.7
105.07030	100.0
106.07359	3.7
107.08567	2.2
109.02896	1.9
110.07182	3.8
111.08074	1.7
115.03928	34.8
116.07079	1.9
119.08598	9.8
120.08101	15.7
120.08842	1.9
121.06509	3.9
121.08466	3.6
127.03938	6.3
129.10229	2.0
131.08617	1.7
133.04968	32.5
142.53867	1.2
143.08537	3.1
143.11842	1.8
145.04996	2.9
145.10156	2.0
147.08025	7.1
150.07626	4.7
159.08067	3.7
169.04958	1.5
169.13475	1.3
171.11426	1.7
173.09558	2.0
173.12857	1.5
189.09094	4.6
189.12543	1.5
211.13272	1.4
212.13721	1.7
217.13249	1.5
237.11154	2.2
246.13223	1.7
287.18118	2.1
295.10211	1.6
356.12543	1.4
434.20782	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	434.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
56.72393	0.3
57.03428	0.5
57.05815	0.4
58.06607	0.4
69.03420	0.7
69.04781	3.5
70.06595	4.3
72.08156	100.0
73.08485	1.7
74.06068	0.3
81.03396	0.4
81.07050	0.7
84.04492	0.4
84.08141	1.3
85.02911	0.8
86.09711	1.1
87.04490	0.7
93.07056	0.5
95.08585	1.0
96.08151	0.8
97.02911	0.4
97.06543	0.7
109.06610	0.4
110.07203	0.4
114.09190	0.4
115.03946	0.4
120.08155	0.4
124.11218	2.6
129.10283	0.4
135.08118	0.6
149.09567	0.4
153.09167	0.5
155.08025	0.3
209.11790	0.5
254.17517	3.6
272.18558	53.6
273.18909	2.8
305.94681	0.5
342.45654	0.3
416.22665	1.1
434.23810	40.3
435.24054	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	434.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.9
55.64337	2.0
56.05031	4.4
57.03459	2.7
57.07075	2.2
61.01139	3.2
61.79492	1.9
62.70493	1.7
67.05509	6.7
69.03433	4.8
69.07076	5.8
69.82410	8.3
70.06593	16.7
71.04964	2.4
72.08157	21.5
76.02222	7.6
76.85358	2.1
79.05486	6.1
81.03422	5.7
81.07072	4.8
84.04506	14.0
84.08153	12.2
85.02911	8.5
86.09705	46.7
91.05492	8.5
93.07047	6.7
95.08608	3.8
97.02871	2.6
97.06528	2.5
97.10152	2.1
100.11278	2.9
102.05536	3.7
104.05320	3.0
105.07043	9.5
107.08591	6.6
109.02891	6.7
109.10181	3.7
110.03239	3.0
110.07152	4.2
112.11339	2.5
117.07043	3.0
119.08580	100.0
120.08091	12.4
120.08875	3.4
121.06571	3.1
121.10136	3.3
123.04472	2.5
127.03929	9.4
128.04280	2.7
129.10263	4.2
131.08583	5.5
133.10123	6.9
143.11806	2.2
144.06563	9.5
145.10110	2.5
150.26210	2.0
159.08331	7.6
159.11650	11.1
161.04555	2.4
161.13254	47.6
162.07648	8.9
162.13602	2.2
167.08595	2.2
167.10689	7.6
177.12759	16.0
178.13098	2.7
179.04861	4.6
181.95296	2.2
182.07227	2.0
187.06081	3.9
187.07581	3.1
189.04053	4.9
195.08028	2.7
205.12227	81.6
206.12659	3.4
223.07610	2.3
223.13271	12.8
237.09271	2.3
237.14848	20.3
238.15097	2.6
239.10652	3.2
265.08652	5.4
272.06265	5.1
287.14197	8.2
311.09079	7.7
313.10782	2.5
313.42517	2.2
329.10535	2.9
333.66965	2.2
335.14609	5.4
339.08551	5.8
357.09598	10.9
371.11118	3.5
416.24332	2.9
434.15311	2.8
434.20831	10.8
434.26434	4.8
435.20163	12.0
435.27075	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08186	1.5
51.55166	1.4
52.83904	1.5
56.05039	3.2
57.03438	2.3
58.06596	4.3
62.50200	1.4
67.05507	1.9
69.03407	1.8
69.07065	2.8
69.75875	1.5
70.06591	12.9
70.86513	1.6
70.98991	2.5
72.08157	5.6
81.07056	5.5
84.08137	10.6
86.09707	5.9
93.07021	1.7
95.08587	2.9
102.82884	1.5
109.10162	1.9
110.09731	1.5
120.08112	2.8
121.10177	2.5
173.33710	1.6
179.75752	1.4
236.20049	3.7
254.21140	30.7
255.21518	4.0
272.22198	100.0
273.22507	5.3
273.25677	1.9
296.22174	3.2
347.20981	1.6
416.26300	4.1
430.49850	1.8
434.27469	70.4
435.18179	2.6
435.27905	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32309	0.2
53.03938	0.3
55.01875	0.2
55.05517	1.1
56.05043	2.3
57.03440	1.9
57.78834	0.2
58.06315	0.3
58.06601	5.7
66.02041	0.2
67.05507	2.4
69.03432	1.6
69.07076	1.4
69.39856	1.3
70.06593	6.0
71.04975	0.4
71.06950	0.2
71.07367	0.6
72.08160	3.2
79.05506	1.5
81.03415	0.5
81.07061	4.4
83.01377	0.2
83.04987	0.2
83.06097	0.3
83.08620	0.8
84.04493	0.5
84.08143	10.2
85.02898	1.0
85.06541	0.5
85.08427	0.2
85.08943	0.3
86.09699	2.5
87.10037	0.3
88.07636	0.5
91.05489	1.3
93.07042	1.8
95.05000	0.3
95.08611	3.3
96.08110	1.2
97.02899	0.9
97.06522	0.6
97.08918	0.4
97.10171	0.3
98.06038	0.2
98.09697	0.8
99.04490	0.2
99.08089	0.3
105.07026	0.9
107.08590	1.0
109.06555	0.3
109.10162	0.9
110.07195	1.6
110.09666	1.8
111.08117	0.3
111.10484	0.5
112.11249	1.4
114.09149	0.3
116.07171	0.2
117.07024	0.2
119.08583	0.6
120.08112	1.1
121.10138	0.7
124.11263	0.7
125.05984	0.2
127.03924	0.6
127.08700	0.3
128.10712	1.2
129.10226	0.4
130.06570	0.3
131.08551	0.6
133.10153	1.1
135.11716	0.4
136.07474	0.3
143.11787	0.2
145.10101	0.2
147.11708	0.3
155.08215	0.2
159.09259	0.6
161.13240	0.2
163.07700	0.2
163.11232	0.3
166.15891	0.2
187.14786	0.4
188.07111	0.4
205.09787	0.2
223.16919	0.2
225.80965	0.2
230.11382	0.4
236.20093	5.9
237.20439	0.4
254.21159	16.4
255.21500	0.9
270.20740	0.3
272.18628	1.3
272.22232	7.2
273.22491	0.4
296.22235	13.2
297.22595	0.9
302.39160	0.2
314.23270	5.3
315.23718	0.4
326.23203	0.5
338.23172	0.4
380.24384	0.8
398.25345	5.7
398.30136	0.4
399.25696	0.3
416.26379	19.9
417.26691	1.6
434.27515	100.0
435.27863	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.05022	1.9
57.03431	2.4
58.06593	5.3
64.71554	1.2
67.05488	2.5
69.03423	1.8
69.07052	2.2
69.34711	3.7
69.35112	3.5
70.06592	18.0
71.04976	1.3
72.08158	7.0
79.05488	1.9
79.80971	1.2
81.07044	5.1
84.04526	1.6
84.08143	13.3
85.02922	1.4
86.09715	5.3
88.07568	1.4
91.05488	3.8
93.07068	1.3
95.08597	2.6
96.08128	2.4
98.09682	1.6
111.10484	1.4
114.09168	4.9
120.08102	5.2
173.09190	1.5
183.28221	1.3
230.11259	1.5
236.20116	5.9
254.21144	20.5
272.22208	12.9
296.22168	9.9
314.23257	3.2
323.80722	1.3
326.23282	2.8
344.24304	1.6
398.25244	4.5
416.26273	18.6
416.30966	1.5
417.26630	1.5
434.27466	100.0
435.18546	8.1
435.27914	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	434.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66261	6.4
67.05495	9.5
92.52956	7.0
100.24655	7.1
123.08078	13.4
129.40175	7.8
134.34729	6.5
150.06779	25.9
151.07539	100.0
165.81070	8.0
191.10669	22.0
228.95316	10.5
272.35034	8.6
370.02338	7.7
416.36438	67.2
417.36902	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	435.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61577	0.5
55.02991	0.4
56.05024	0.9
59.89942	0.3
60.04528	7.4
60.05643	2.0
67.36974	0.4
68.05033	1.1
69.03402	0.4
69.74264	0.8
69.74653	1.0
70.06591	51.2
71.04992	6.1
71.06932	1.0
72.08157	6.5
84.04512	0.4
84.08161	1.9
85.02892	0.5
86.09699	4.1
88.07623	0.6
90.05542	1.0
91.05452	1.0
93.07045	0.7
95.06088	16.0
96.04472	0.8
96.08125	0.5
96.58197	0.3
97.07647	4.4
98.06068	0.8
103.05465	3.7
104.05305	0.8
110.07125	0.9
111.09200	0.5
112.07602	2.6
112.08723	16.5
113.07112	1.6
114.10285	3.5
115.08685	21.1
116.07124	0.8
116.09047	0.4
120.08100	100.0
121.08446	2.9
129.10245	0.8
130.06525	0.9
130.08847	0.5
130.09744	3.2
132.08095	0.5
136.08662	0.4
138.10291	1.2
139.08675	3.1
140.07117	0.7
140.08183	2.6
154.09776	2.0
157.09732	8.1
157.10884	0.7
158.09248	0.6
160.07524	0.4
171.12439	0.4
172.07141	0.5
172.11118	0.6
174.02377	0.4
175.11847	0.7
182.09264	3.3
199.11894	17.0
200.12247	0.5
217.13368	0.4
225.17043	0.8
237.12325	14.8
238.12538	0.5
242.12926	0.8
244.14413	1.2
254.21021	0.5
255.21443	0.9
259.15744	2.1
263.14105	0.7
272.22131	1.3
273.22632	1.7
286.15500	0.5
287.15054	0.5
288.20404	0.4
291.06448	0.5
299.83115	0.4
301.16486	1.4
318.19238	0.9
322.18619	0.7
329.15991	2.3
346.18533	0.6
376.18735	1.7
400.19269	0.8
417.22012	0.6
418.24573	0.8
435.23227	65.7
436.23511	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	435.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94008	3.1
53.03947	5.6
53.59478	3.3
57.03428	7.0
62.36481	3.4
65.03922	5.0
67.05505	27.5
69.03444	4.0
69.07059	6.5
69.73875	6.6
69.74271	9.7
70.06596	13.5
71.04980	4.0
72.08148	8.0
79.05489	7.2
81.02988	6.3
81.03419	87.3
81.07050	17.0
83.04958	7.9
84.69663	3.7
91.05470	13.0
93.07058	11.5
95.04967	100.0
95.08605	19.4
97.06537	4.7
98.22717	4.2
105.07027	13.3
107.04960	5.7
107.08572	9.4
109.06512	39.1
109.10151	10.4
117.06992	3.8
119.08588	12.4
120.08115	4.9
121.06503	34.5
121.10161	10.1
123.04453	23.2
123.05205	3.5
123.08070	51.3
131.08588	4.7
133.06432	3.9
133.10103	13.1
135.07988	17.2
135.11667	4.4
137.05957	6.7
137.09634	4.7
143.08585	7.8
144.09302	4.0
145.06509	6.7
145.10129	11.6
147.07983	5.2
149.09615	12.0
151.07574	4.1
151.11140	8.8
157.10077	6.8
159.07985	4.8
159.11665	7.1
160.11243	10.2
161.09598	14.1
163.11177	6.1
169.10103	4.5
171.11700	4.5
173.11055	3.8
173.13251	15.5
175.11125	6.7
177.12746	8.2
179.10675	7.0
183.11702	4.5
185.09599	11.0
187.11215	7.2
191.14284	14.8
200.14323	6.3
205.12256	4.4
206.11736	6.4
213.12643	4.1
219.13824	8.7
233.15353	22.6
239.17955	3.9
246.14894	35.1
253.15891	8.9
254.15518	3.8
267.17459	5.4
267.76526	3.9
271.16858	4.9
277.16074	4.7
284.17026	4.5
285.18588	7.3
294.18237	6.6
295.16895	13.9
296.16541	4.6
313.17990	55.4
314.18152	6.9
322.17920	21.3
331.19067	22.1
340.19037	88.5
358.20166	42.4
395.14993	3.9
400.21143	16.0
435.27478	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	435.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41689	7.7
55.05502	8.0
57.43423	7.0
59.03847	7.6
59.85152	7.8
65.24185	7.7
67.05509	24.4
69.59754	9.3
69.88738	34.4
70.06590	47.8
72.08142	13.7
79.05495	13.0
81.03422	71.5
81.07050	16.2
83.04993	10.2
86.09743	11.2
91.05495	21.9
93.07052	22.4
95.04974	82.4
95.08631	22.7
105.07030	14.9
107.08583	19.0
109.06518	54.7
109.10220	14.4
119.08605	11.2
120.08130	21.5
121.06509	27.3
123.04434	22.5
123.08082	37.7
125.09631	8.3
131.08492	9.2
133.06491	14.0
135.08070	14.9
145.04645	8.6
145.10173	10.1
147.08080	13.0
151.07593	8.7
151.11176	11.6
159.07985	10.2
159.11736	11.2
160.25014	8.3
160.55635	7.9
161.06018	28.4
163.11195	9.8
173.13278	15.3
179.10695	18.1
191.14375	10.8
195.13705	11.8
233.17747	9.4
237.12782	9.8
246.14912	29.2
287.32318	8.3
294.18552	9.8
295.16953	12.9
313.17902	46.7
322.18088	19.3
331.19046	29.2
340.18982	100.0
343.92560	8.4
358.20181	46.4
400.21036	9.8
435.27267	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.07230	2.8
55.05515	19.0
55.88319	2.9
57.03442	7.3
57.07084	3.9
67.05511	42.4
69.07060	17.1
69.21759	19.6
79.05496	12.0
81.07066	45.4
83.08619	8.8
91.05482	11.2
93.07047	14.5
95.08617	43.4
97.10198	5.5
98.12206	2.9
98.98476	70.0
105.07030	5.7
107.08630	8.3
109.10166	13.8
119.08598	4.1
121.10151	10.5
123.11726	7.4
133.10149	5.6
135.11659	4.7
137.09564	3.2
155.01065	13.1
173.02113	11.0
213.58241	2.7
225.15544	2.8
245.22704	9.1
263.23752	17.6
264.44086	3.1
278.29123	3.1
306.20270	2.9
326.31250	3.0
337.23410	6.7
337.27411	100.0
337.31454	6.5
338.27768	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	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.09551	6.3
55.05510	17.3
57.03423	11.3
61.66574	6.1
67.05513	57.1
69.07063	24.5
69.22407	34.3
78.07468	5.9
79.05500	18.2
80.27540	7.2
81.07051	65.5
83.02552	8.3
83.08624	11.0
84.42545	7.6
91.05479	8.6
93.07067	16.8
94.22392	6.4
95.08617	48.7
98.22659	16.4
98.98481	100.0
107.08582	7.8
109.10155	17.9
116.41022	6.4
121.10139	9.6
123.11681	13.0
137.13297	7.5
147.11714	8.1
151.14859	7.6
151.32570	6.9
155.01036	42.6
165.16388	7.1
173.02185	9.5
245.22667	15.0
263.23669	27.6
271.39447	7.5
337.27377	70.6
409.88705	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	435.2511
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.60393	2.1
52.94225	2.4
55.05516	18.0
55.84361	2.0
57.03438	9.8
57.07070	4.9
67.05509	48.1
69.07078	24.0
69.50832	9.6
70.44229	2.0
79.05508	18.0
81.07060	52.1
83.08617	15.4
91.05490	7.2
93.07047	16.7
95.04948	2.5
95.08614	48.3
96.08952	2.3
97.06515	2.3
97.10183	6.0
98.98473	69.2
101.32181	2.2
105.07035	6.5
107.07921	2.3
107.08609	9.8
109.10153	21.0
119.08611	6.1
121.10133	12.4
123.11732	7.1
131.08557	2.4
133.10187	4.0
135.11703	4.5
137.13275	5.7
147.11694	4.1
149.13257	3.6
151.14796	2.8
155.01042	14.0
161.13309	5.9
169.37456	2.1
173.02150	12.0
173.12137	2.3
234.12889	2.2
241.04564	2.1
245.22621	6.6
263.23737	17.5
337.27362	100.0
338.27719	8.8
429.16034	2.1
435.30112	2.9
446.97644	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	435.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09932	0.4
55.05511	0.8
56.05043	2.2
57.03440	0.5
58.06611	1.0
60.05650	9.6
67.05507	0.9
67.51996	0.6
68.05033	1.1
69.07069	1.8
70.06593	100.0
71.04993	7.6
71.06925	1.9
71.07268	0.5
71.29191	0.5
71.29572	0.5
72.08157	5.2
74.06077	1.4
79.05477	0.6
81.07058	1.1
84.04504	1.7
84.08147	5.5
85.02895	0.7
85.07664	1.3
85.08499	0.6
86.09707	29.6
87.10051	1.2
88.03989	0.9
88.07631	3.2
89.71592	0.5
91.05496	0.9
95.06052	0.6
95.08608	1.0
97.07663	1.7
98.06060	4.6
98.09740	0.7
103.05531	0.5
104.05349	0.9
107.08624	0.7
108.08163	0.5
110.06107	0.4
110.07178	1.3
110.86626	0.5
112.08730	26.0
113.07158	0.9
113.09089	0.5
115.08700	3.5
116.07102	1.4
120.08110	11.1
125.23360	0.5
127.03921	0.5
127.08723	0.7
129.10278	2.6
129.11119	0.5
136.07591	0.6
138.12787	3.0
140.08185	6.3
150.05861	1.6
157.10857	9.3
158.09222	0.6
163.12296	0.5
165.13890	0.9
166.08636	1.3
166.12299	0.9
169.13420	0.6
175.11873	3.9
182.16521	1.9
183.14915	7.0
184.15347	0.5
195.41628	0.7
208.14455	2.1
210.16078	1.5
211.15759	0.7
216.56105	0.5
225.17102	19.0
226.17404	0.7
228.17073	1.4
237.20280	0.5
239.13481	0.5
242.19798	4.6
244.00023	0.5
253.16695	1.7
254.21053	2.6
255.21500	5.7
263.14206	1.4
268.16592	0.7
270.19275	6.1
271.17511	4.0
272.22205	6.4
273.22546	15.2
288.20255	8.5
291.06662	0.5
297.22571	0.8
327.90982	0.6
338.20349	0.7
339.30026	0.6
348.12225	0.8
376.22375	0.7
417.26819	1.5
418.24500	7.4
419.24521	0.6
435.27231	97.9
436.22272	1.6
436.27615	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	435.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68112	6.2
55.05513	31.9
65.45078	5.2
67.05511	17.3
69.03442	8.3
69.07047	9.8
69.34111	6.2
70.06594	46.7
71.04999	22.4
71.30342	6.5
79.05505	17.4
81.07058	17.3
84.08143	9.4
85.06558	7.1
86.09711	12.4
91.05473	14.7
93.07053	19.2
95.05002	8.6
95.08591	29.7
97.06540	8.4
99.04457	100.0
99.08112	10.0
105.07043	17.6
107.08596	21.1
109.06512	7.8
109.10152	20.9
111.08076	19.3
112.08733	8.9
115.15977	6.7
117.07040	6.4
119.08607	21.5
120.08141	20.3
121.10150	12.7
123.11720	9.3
129.07018	8.9
129.10294	6.2
131.08606	12.1
133.10139	19.1
135.08023	7.3
135.11699	11.5
139.11220	9.4
143.08578	11.6
145.10141	17.2
146.03902	6.5
155.10701	10.0
157.10106	7.6
159.11723	10.7
161.09612	7.4
171.10190	12.9
171.11711	9.1
172.14233	6.7
187.14946	6.5
189.12683	6.6
194.71487	6.8
227.17905	9.6
435.15094	30.1
435.21057	12.6
435.27271	42.3
436.22296	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	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.02277	0.8
55.05505	3.7
56.05031	1.6
58.06591	2.1
69.03446	0.8
69.05715	6.2
70.06586	5.8
70.64847	0.8
72.08157	13.6
80.61219	0.7
83.23094	0.7
84.04501	1.4
84.08156	6.8
87.80625	0.8
88.66537	0.8
91.05476	1.4
98.06068	7.5
101.07138	4.8
107.04966	10.7
110.09696	1.5
112.11251	1.8
113.07128	16.2
114.10293	1.3
115.05448	4.8
119.04922	1.5
120.05694	5.2
121.02875	4.4
127.08721	1.0
133.04924	1.0
133.06517	1.3
143.04932	7.6
144.05736	4.3
145.06497	1.3
155.11792	27.9
161.05997	1.5
162.09160	6.7
165.07027	0.8
166.07750	0.9
170.05986	1.5
171.04382	13.7
171.05655	1.4
172.14453	17.8
176.10677	0.8
178.07774	0.8
179.08542	1.2
181.06488	2.6
181.10088	2.1
189.07005	2.1
190.07762	2.2
191.08565	8.5
194.07292	3.2
195.08049	1.4
198.12383	26.3
201.06996	0.9
202.07829	1.3
205.06436	1.3
207.08087	6.5
208.08490	1.0
209.09616	6.9
218.07286	3.6
219.08054	19.2
219.10022	1.5
220.08546	1.2
223.07523	3.5
226.08635	10.5
229.07591	3.1
234.09128	1.1
235.07549	10.6
237.09109	15.4
238.09406	1.4
239.10675	2.1
245.06165	1.1
247.07507	21.8
248.07991	1.3
250.06203	2.2
255.76617	0.8
261.10519	1.5
262.08746	2.2
263.07019	12.4
264.07504	1.2
265.08597	44.5
266.08911	2.8
272.07147	1.6
273.07813	0.9
287.13840	0.7
289.09940	1.1
290.08093	2.8
291.06451	12.0
298.08182	0.8
321.12677	2.2
322.14349	11.2
331.11099	0.9
336.15814	2.4
348.12256	14.5
348.16196	1.4
349.12265	4.6
365.15027	3.1
370.21384	0.9
418.21173	1.1
419.19708	1.7
436.22308	100.0
437.22595	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	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05512	1.5
55.97586	0.4
56.05034	1.2
58.06596	0.7
69.27672	0.7
69.28058	2.5
70.06593	3.9
71.66959	0.4
72.08154	9.7
73.08491	0.6
74.06056	1.0
83.06093	0.9
84.04508	0.8
84.08147	3.6
86.09711	5.0
88.03978	0.6
91.05499	0.5
95.08660	0.4
98.06054	1.3
98.09714	0.4
101.07120	2.3
103.05431	0.5
105.36755	0.4
107.04943	2.8
110.09682	0.8
112.11254	1.4
113.07116	3.5
115.05459	2.5
117.03399	0.6
119.04955	1.2
120.05705	2.4
120.08104	4.3
121.02867	1.0
129.10185	0.9
129.13777	0.5
131.04987	0.5
136.07541	0.6
143.04919	3.0
143.11777	0.4
144.05734	2.4
145.02852	0.6
145.06444	0.6
146.03618	0.8
146.06004	0.6
155.11792	11.2
157.09700	0.7
157.13371	0.5
161.06099	0.5
162.09146	2.0
170.06088	0.6
171.04408	5.5
171.05681	0.6
172.14455	5.7
176.10669	0.5
178.07779	0.6
179.08582	1.6
179.52472	0.4
181.06479	1.1
181.10133	0.7
187.14447	1.2
188.07103	0.8
189.07057	1.7
190.07683	1.2
191.08525	5.3
194.07304	1.5
195.08064	1.0
196.09587	0.5
198.12421	2.2
201.07004	0.6
205.06570	1.2
205.09915	1.3
207.08051	3.4
209.09525	2.3
210.06879	0.6
217.06482	0.5
218.07335	1.2
219.08058	11.3
220.08447	1.0
221.05983	0.9
223.03522	0.5
223.07576	1.8
226.08656	7.0
227.11751	0.8
229.07629	1.8
233.09624	0.4
234.06723	0.8
234.09091	0.8
235.07512	7.5
236.08075	0.7
237.09067	8.4
238.09450	0.7
243.11191	0.5
244.07376	0.5
245.05949	0.7
247.07527	13.7
248.07979	1.2
249.05289	0.5
250.06161	0.6
251.07030	0.5
251.10689	0.4
262.08618	1.7
263.07022	19.7
264.07437	1.1
265.08591	21.4
266.08969	2.0
272.07022	1.7
273.05389	1.0
273.07980	0.7
290.08066	5.3
291.06503	20.3
292.06848	1.2
315.13394	0.6
322.14517	1.0
336.16104	1.2
347.13831	2.2
348.12299	16.1
349.12570	2.5
350.13898	0.5
365.15057	0.6
418.21091	1.3
419.19562	4.5
427.04211	0.5
436.22281	100.0
437.17429	0.7
437.22562	10.5
437.27304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05514	2.0
58.06610	1.6
63.06196	0.8
66.63763	0.8
69.02059	4.4
69.02490	3.5
70.06597	2.3
72.08158	7.1
79.72268	0.8
84.08134	3.9
84.67405	0.8
86.08893	0.8
86.09701	1.5
91.05483	0.9
98.06041	2.7
101.07131	2.6
102.73206	0.7
107.04961	6.7
112.11256	1.4
113.07150	4.8
113.47217	0.9
115.05462	2.7
119.04914	1.4
120.05727	3.5
121.02871	1.3
143.04903	4.9
144.05687	3.0
155.11803	15.0
161.05907	1.1
162.09155	3.7
170.06003	1.1
171.04430	8.9
172.14450	9.2
181.06583	1.1
188.08838	0.9
189.06960	1.1
190.07687	1.7
191.08525	5.9
194.07338	1.7
194.99156	1.0
195.08032	1.0
198.12398	3.2
205.06491	1.3
207.08086	4.1
209.09708	2.9
218.07170	2.4
219.08018	14.0
223.07709	1.7
226.08618	9.6
229.07597	1.8
235.07483	5.7
236.08040	0.9
237.09090	9.8
239.10619	0.9
247.07553	13.1
248.08022	1.0
250.06274	1.1
262.08563	1.5
263.07056	10.2
264.07367	1.1
265.08600	28.0
266.08960	2.3
272.07050	1.6
273.07806	1.2
290.08151	3.4
291.06497	9.8
292.06815	1.6
322.14343	2.8
336.15784	2.3
346.14487	0.8
347.13879	1.3
348.12305	12.8
349.12274	1.5
419.19748	1.5
436.22311	100.0
437.14078	5.6
437.22650	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	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05516	3.6
56.05039	0.8
56.40660	0.4
58.06603	1.1
69.00684	3.2
69.01101	0.9
70.06589	1.7
72.08158	6.4
84.04546	0.4
84.08142	3.6
91.05476	0.7
98.06062	7.4
107.04955	4.0
110.09723	0.8
112.11248	1.5
113.07128	4.8
115.05460	2.6
115.08706	0.9
119.04924	1.0
120.05733	2.7
121.02866	1.3
127.08678	2.5
129.10295	0.5
131.84462	0.4
134.23166	0.4
141.10252	0.5
143.04895	2.8
144.05733	2.4
145.06491	1.0
155.11804	12.1
161.05971	0.8
171.04404	6.6
171.05663	0.7
172.14461	2.9
176.10715	0.7
181.06534	1.1
187.03992	0.9
189.07014	0.8
190.07803	0.5
191.08574	4.7
194.07266	1.5
195.08032	0.4
198.12398	5.6
200.63066	0.4
201.06935	0.6
205.06728	0.4
207.08054	1.7
209.09618	3.5
218.07304	1.5
219.08064	11.5
220.08611	0.7
221.06026	0.4
223.07520	2.1
225.08525	2.9
229.07567	1.2
235.07532	4.8
236.08195	0.6
237.09099	9.6
239.10715	1.7
244.09657	1.1
247.07520	11.0
248.08046	0.7
250.06261	0.8
260.63644	0.4
262.08578	0.5
263.07031	4.2
264.07587	0.5
264.10223	0.7
265.08591	26.0
266.08981	1.6
278.14935	0.5
290.08170	1.3
291.06476	7.2
291.09479	0.5
320.12857	1.1
322.14359	22.6
323.14664	1.4
324.15268	2.5
348.12320	6.8
349.12747	1.1
362.13959	0.5
418.21017	0.8
419.19662	3.7
436.22330	100.0
437.22910	13.4
464.71075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
56.05035	4.1
57.03455	1.1
60.05643	1.1
67.05511	2.0
69.07064	1.7
70.06599	5.3
70.19376	1.8
70.19698	1.3
72.08151	2.4
74.06083	8.2
79.27842	0.9
81.07046	3.3
84.08163	2.8
86.09706	100.0
87.10040	1.7
93.07032	2.2
95.08630	1.3
98.06064	2.6
100.11272	1.6
103.05466	2.6
103.80291	1.0
105.07024	1.6
107.08609	1.4
116.07089	1.5
120.08102	59.5
121.06542	1.8
121.08482	1.5
121.10165	1.0
126.05540	6.4
129.10246	1.4
131.04999	1.2
131.08524	1.0
135.11711	1.1
144.06619	1.2
150.79002	1.1
162.11787	0.9
163.07484	1.5
180.10201	38.2
182.15460	2.0
195.11226	4.9
197.34116	1.0
207.06126	1.0
211.14308	1.3
239.13925	12.3
251.11650	1.4
257.15015	1.6
261.97845	1.0
293.18561	7.2
348.12268	1.1
352.58414	1.0
436.22302	4.3
437.34030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05511	3.7
56.05009	0.9
57.03408	0.9
58.06572	0.8
61.02889	0.9
61.43304	0.4
67.05499	2.3
69.03436	2.8
69.07034	1.6
69.44670	2.6
70.06598	6.6
70.17545	0.4
71.04956	0.6
72.08141	2.7
73.02888	0.6
79.05497	3.3
81.03380	1.4
81.07058	4.1
82.06590	2.3
84.04502	0.6
84.08102	1.7
85.02913	5.3
86.09670	1.2
87.04444	0.9
91.05454	1.1
93.07054	3.1
94.06524	1.1
95.08560	1.8
96.08133	12.7
97.02892	2.6
97.06482	0.7
97.08899	1.2
98.09640	1.5
99.04398	0.9
105.06980	1.4
107.08536	1.9
108.08080	0.7
109.02839	0.8
110.07142	1.2
110.09633	1.1
112.08686	0.5
114.09174	14.6
119.08545	1.2
120.08057	1.7
121.10105	1.6
122.09620	1.3
127.03876	1.5
129.10181	0.9
131.08485	0.7
133.10085	0.7
135.11665	1.1
136.11157	1.0
137.09579	0.5
138.12755	0.6
138.38275	0.4
143.08531	0.5
145.10089	0.8
147.11705	0.6
152.10715	0.9
163.11110	1.0
166.62021	0.5
193.12422	0.6
202.15941	0.7
204.07874	0.5
210.14841	0.6
220.16991	6.8
238.18013	33.6
239.18303	1.6
256.19080	25.2
257.19363	1.1
261.90298	0.5
272.13977	0.4
274.20126	100.0
275.20471	5.4
400.23517	1.0
418.24396	3.0
419.89352	0.5
436.25458	68.2
437.25858	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.8
55.05510	4.6
56.05033	4.1
57.03393	1.7
58.06601	10.4
58.07012	0.6
61.02878	1.4
66.24008	0.4
67.05508	3.2
69.03428	4.5
69.07021	1.5
69.96989	0.5
69.97328	1.6
70.02902	1.0
70.06594	7.3
71.04934	1.2
72.08155	11.3
73.02897	0.9
73.08448	0.6
74.06019	1.4
79.05492	4.2
81.03370	1.6
81.07059	14.9
82.06533	0.7
83.04985	3.7
83.06043	0.6
83.08553	0.5
84.04463	1.7
84.08136	4.2
85.02907	5.8
86.06052	0.5
86.09707	3.4
87.04412	1.2
87.05557	0.7
88.03958	0.9
89.59813	0.4
91.05479	3.2
93.07042	3.5
94.06599	0.5
95.04935	0.8
95.08615	4.6
96.08112	0.9
97.02892	3.4
97.06502	0.5
99.04422	0.7
101.06021	4.9
102.05495	0.4
105.07016	3.3
107.08526	1.1
109.02808	0.9
109.10064	0.8
110.07155	4.0
110.09602	1.5
111.03697	0.5
111.04428	5.8
111.05561	0.4
112.08675	0.4
112.11205	0.7
114.09116	0.6
119.08588	3.8
120.08089	3.8
121.10158	1.9
123.08075	1.0
127.03861	1.5
127.07516	1.3
129.05492	2.0
129.06244	0.4
129.10229	2.2
131.08487	1.4
133.10103	2.7
135.11716	0.7
136.07585	0.7
143.08395	0.5
144.10120	0.6
145.10069	1.2
147.11662	0.8
151.11223	0.5
161.13249	5.7
171.11624	1.5
175.11885	0.5
176.03683	0.6
189.12816	3.0
194.15359	1.3
194.18985	1.9
207.13788	1.8
212.16478	1.9
217.08511	0.4
220.16927	1.8
225.14874	1.3
235.11926	0.8
238.18013	10.9
239.18228	0.7
256.19080	42.0
257.19464	2.0
274.20123	100.0
275.20447	6.2
400.23169	1.4
418.24231	3.4
419.24927	0.5
422.28885	0.4
436.25464	39.0
437.26111	4.2
460.27927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.8
56.96566	3.7
69.03429	1.9
69.64684	6.0
70.06593	6.0
72.08168	4.8
74.06077	1.8
81.07050	3.8
84.04488	2.2
84.08156	10.5
85.02897	4.3
86.09743	3.6
91.05508	1.6
93.07027	1.8
94.93027	2.5
96.08112	2.1
98.97596	2.3
103.93032	2.7
105.92890	1.4
111.92766	1.4
114.09248	2.2
114.95554	1.5
116.07086	1.4
116.52813	1.2
120.08114	1.7
129.10258	5.6
132.96605	2.9
136.94009	2.2
143.01933	1.7
149.99673	1.4
158.99719	2.7
159.07680	1.7
162.10857	1.4
173.03030	1.3
178.99634	1.3
193.03992	1.4
194.99182	3.0
196.99753	5.2
204.97542	6.6
212.99274	3.3
215.00832	4.7
219.01688	3.1
220.17122	1.5
222.98566	29.2
231.00356	3.3
233.01819	3.8
238.18025	5.5
240.99625	26.3
243.01782	1.8
248.92357	2.6
248.96585	4.1
256.19150	6.5
257.19418	2.0
258.91879	3.2
258.99857	5.4
261.02802	1.5
266.89859	4.9
266.97534	100.0
267.97742	6.2
274.20117	19.2
275.20508	6.5
276.91922	3.3
277.02448	3.1
279.03928	3.8
284.98560	8.5
289.99054	1.7
293.01801	1.5
295.03452	2.7
297.05026	2.2
298.05276	1.4
302.90070	6.6
305.87271	1.7
312.99600	9.4
313.04700	2.1
313.99655	1.6
320.90894	3.7
321.01376	1.7
323.02942	1.7
331.00562	13.6
339.02386	3.7
346.99628	1.7
349.01212	14.8
350.01318	1.6
352.98340	1.9
356.98703	8.2
357.02463	1.5
367.02042	4.2
374.92081	2.8
374.99625	17.4
375.07959	1.9
375.99765	2.8
393.00177	9.9
400.97507	3.4
411.00693	2.0
418.24661	2.2
418.98651	16.2
419.24405	1.6
419.98865	2.3
436.25461	12.6
436.99261	6.3
437.14026	2.0
437.25647	6.3
438.17337	2.3
454.99490	1.7
456.14890	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	437.1421
Annotation	Nothofagin
Peak:m/z	Relative Intensity
56.05031	1.1
58.06581	0.3
67.05508	0.4
69.07070	3.0
69.31030	2.3
70.06592	3.5
71.06909	0.4
72.08137	2.2
74.06079	3.8
82.73187	0.3
84.04493	0.7
84.08142	1.2
85.02949	0.3
86.09708	44.2
87.05610	0.5
87.10060	0.8
91.05496	1.6
93.07028	0.5
95.08627	0.3
96.48923	0.3
98.06017	0.4
99.04414	0.3
102.05544	0.3
103.05478	0.3
103.08714	0.3
107.04953	0.5
108.09624	0.3
109.02917	0.3
110.07168	0.6
112.11272	0.3
113.07145	1.0
119.04941	1.3
120.08105	8.0
129.10213	0.5
131.04910	0.4
131.08130	2.0
136.07568	1.4
143.11818	1.7
147.04413	3.7
155.11812	1.6
156.12193	0.5
159.07674	4.1
166.08684	1.5
171.04462	0.3
171.11339	0.6
172.04773	0.5
172.14444	0.9
173.12918	0.3
185.04283	0.5
187.14374	0.5
189.07332	0.4
204.10204	1.9
205.09860	0.5
219.08054	0.7
220.08405	0.7
226.08708	0.4
227.08844	0.4
227.13925	1.0
229.12302	0.6
236.07874	0.5
237.09119	0.7
238.09485	0.9
244.16560	0.9
247.07600	0.6
248.07947	0.7
254.15108	0.4
254.69801	0.3
257.11713	0.5
263.06873	0.6
264.07330	1.0
265.08621	1.4
266.08917	2.0
272.16077	2.4
275.12842	0.5
279.17023	1.8
292.06842	0.9
292.20245	0.4
293.09967	2.5
329.08444	0.5
335.10913	0.7
348.12036	0.4
349.12500	1.3
353.10916	0.4
375.14127	9.3
376.14417	0.7
377.11923	2.9
419.13080	0.8
437.14163	100.0
437.22394	11.2
437.27158	2.1
438.14529	8.3
438.23416	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55336	0.5
55.05515	6.2
56.05029	1.0
57.05808	0.7
58.06597	1.0
60.04531	1.1
60.05657	0.5
60.95357	0.5
67.05516	0.8
69.03412	0.6
69.07079	2.4
70.06591	21.6
71.06924	0.8
71.28863	0.4
72.08154	67.3
73.08482	1.2
74.06084	1.4
75.02867	0.4
79.05488	0.9
81.07072	1.0
82.06586	0.7
82.30907	0.5
84.04494	1.6
84.08144	7.3
85.02914	1.1
86.09708	19.5
86.10238	0.9
87.10041	0.8
87.48740	0.5
91.05480	8.3
92.05808	0.6
93.07038	0.6
95.08617	1.4
97.02884	0.8
107.04961	1.3
110.07172	2.5
112.08679	0.7
116.07104	1.7
118.06527	0.5
119.04943	7.4
120.05363	0.6
120.08105	8.0
121.08430	0.6
126.05480	0.5
127.08677	1.0
129.10249	4.7
133.10194	0.5
134.10396	0.5
136.07573	100.0
137.07896	3.3
140.07069	0.7
141.74303	0.5
147.04453	0.9
155.08170	1.5
157.09749	1.5
157.13330	1.4
166.08626	0.7
171.14908	2.0
175.10770	19.0
175.14734	0.6
176.11148	0.8
185.09239	1.0
185.12900	1.1
190.12291	2.4
199.14412	1.4
200.28589	0.5
203.10303	2.5
203.13933	0.9
207.11211	1.6
210.05312	0.5
235.10771	1.1
235.14398	40.2
236.14655	2.2
239.18365	0.9
245.13141	0.7
256.19135	0.9
257.19373	2.7
263.13895	22.6
264.14224	2.0
274.17545	0.8
274.20175	2.2
275.20444	5.0
301.15048	1.1
339.34268	0.6
362.20734	1.3
367.19159	0.6
398.20331	3.4
401.23965	0.7
419.24280	0.8
437.19449	2.4
437.26013	5.3
438.23294	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	437.2665
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05517	23.6
57.03435	10.9
57.07065	14.1
58.98078	2.9
67.05513	18.4
69.07068	35.2
69.85889	6.5
69.86289	11.8
71.08625	7.1
77.92055	2.9
79.05517	4.4
81.07061	23.4
83.08634	23.3
85.10184	6.3
89.06042	39.3
91.05479	3.2
93.07043	10.0
95.08612	28.0
97.10175	15.1
98.23496	3.1
98.98473	86.5
107.08608	10.5
109.10153	10.9
111.11700	4.6
114.70104	3.0
119.01942	9.3
121.10135	10.9
133.03438	8.8
133.08612	28.1
135.11716	11.9
144.94916	2.9
145.03488	5.4
149.13257	3.5
151.04448	4.7
154.12265	4.7
155.01079	26.7
155.12604	5.8
157.03476	3.2
171.14984	3.6
172.15346	3.9
173.02090	6.3
175.04541	46.0
177.11186	5.7
239.14899	31.4
255.41252	3.3
265.25226	16.6
321.22772	28.4
339.24564	6.0
339.28922	100.0
340.29291	10.2
377.25644	3.6
437.27231	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	438.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99580	1.6
65.03949	0.9
67.05490	0.9
69.14581	2.0
69.14993	4.9
70.06589	1.3
72.08170	7.5
79.05505	0.8
80.04993	1.0
81.07052	0.9
82.06578	0.9
82.93489	0.8
84.04526	0.9
85.01146	2.9
86.71715	0.9
91.05484	9.1
94.06568	4.3
102.03780	2.5
106.06528	6.6
107.04968	1.0
107.07343	3.1
108.08118	13.3
110.06039	7.1
112.11243	2.0
119.04948	14.6
120.08145	4.2
122.06038	1.9
124.07610	4.1
129.13869	2.5
131.01639	1.2
132.08139	1.3
134.06000	6.6
136.07559	10.9
146.16516	1.7
147.04410	61.8
148.04434	2.0
148.07567	13.6
152.07063	14.2
153.63150	0.8
155.11835	2.0
156.12132	1.2
158.09592	2.3
160.11348	1.0
162.09201	1.0
166.08644	14.7
172.11281	1.5
172.14532	1.5
174.09154	2.2
184.11238	5.2
186.11420	1.2
186.12859	1.1
188.10715	2.1
194.08136	1.7
198.09081	1.5
199.10033	1.8
201.10295	1.9
201.13826	4.3
203.11842	2.4
204.10205	21.8
207.28813	1.0
212.10663	5.5
213.10268	1.8
214.11069	5.0
215.11789	1.9
217.11063	4.8
217.12932	1.0
218.11789	2.0
221.08786	0.9
221.12848	0.9
226.12219	8.5
227.06459	2.5
227.11894	1.1
229.13359	69.2
230.13631	3.4
243.07983	1.7
243.14920	2.4
244.13335	4.4
254.11713	1.9
257.12830	5.9
267.09348	1.0
271.14398	24.4
272.12650	1.8
275.17554	1.7
289.15466	100.0
290.15778	6.1
292.20166	9.1
299.13870	12.1
317.14993	17.7
340.14590	1.7
403.32281	1.0
438.23749	34.6
438.28629	1.8
439.15649	8.8
439.21182	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	438.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99580	1.6
65.03949	0.9
67.05490	0.9
69.14581	2.0
69.14993	4.9
70.06589	1.3
72.08170	7.5
79.05505	0.8
80.04993	1.0
81.07052	0.9
82.06578	0.9
82.93489	0.8
84.04526	0.9
85.01146	2.9
86.71715	0.9
91.05484	9.1
94.06568	4.3
102.03780	2.5
106.06528	6.6
107.04968	1.0
107.07343	3.1
108.08118	13.3
110.06039	7.1
112.11243	2.0
119.04948	14.6
120.08145	4.2
122.06038	1.9
124.07610	4.1
129.13869	2.5
131.01639	1.2
132.08139	1.3
134.06000	6.6
136.07559	10.9
146.16516	1.7
147.04410	61.8
148.04434	2.0
148.07567	13.6
152.07063	14.2
153.63150	0.8
155.11835	2.0
156.12132	1.2
158.09592	2.3
160.11348	1.0
162.09201	1.0
166.08644	14.7
172.11281	1.5
172.14532	1.5
174.09154	2.2
184.11238	5.2
186.11420	1.2
186.12859	1.1
188.10715	2.1
194.08136	1.7
198.09081	1.5
199.10033	1.8
201.10295	1.9
201.13826	4.3
203.11842	2.4
204.10205	21.8
207.28813	1.0
212.10663	5.5
213.10268	1.8
214.11069	5.0
215.11789	1.9
217.11063	4.8
217.12932	1.0
218.11789	2.0
221.08786	0.9
221.12848	0.9
226.12219	8.5
227.06459	2.5
227.11894	1.1
229.13359	69.2
230.13631	3.4
243.07983	1.7
243.14920	2.4
244.13335	4.4
254.11713	1.9
257.12830	5.9
267.09348	1.0
271.14398	24.4
272.12650	1.8
275.17554	1.7
289.15466	100.0
290.15778	6.1
292.20166	9.1
299.13870	12.1
317.14993	17.7
340.14590	1.7
403.32281	1.0
438.23749	34.6
438.28629	1.8
439.15649	8.8
439.21182	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	438.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.5
56.05022	4.0
57.03433	17.2
59.04999	4.7
60.04512	4.5
61.02901	4.4
65.03941	4.7
67.05507	85.6
69.03431	70.8
70.06582	17.1
71.30599	6.5
72.08158	26.6
79.05492	9.9
80.62267	4.4
81.03413	6.9
81.07059	20.5
84.08150	12.9
84.36182	4.1
85.02908	63.9
85.06614	4.8
86.09691	13.7
87.04465	46.1
91.05484	14.3
93.07025	8.5
95.08579	7.3
97.02891	58.8
98.99881	4.4
99.04456	5.4
109.10153	100.0
110.07157	11.5
115.03932	78.9
119.04922	21.4
119.08587	5.2
120.08111	4.7
127.03914	10.2
133.04964	76.1
133.10097	5.3
138.24252	4.2
145.04941	10.6
147.04393	83.0
150.07564	8.6
161.07071	4.2
161.08397	4.1
163.03876	9.3
204.10228	38.8
216.72231	4.0
245.13176	4.4
259.07999	5.3
263.17200	4.8
290.94803	5.3
292.20245	13.1
309.18225	4.2
438.23380	52.3
439.24442	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	438.2389
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
53.63920	0.3
55.64220	0.3
58.06600	0.6
58.95727	0.3
61.61066	0.3
65.03944	0.7
69.88715	0.7
69.89104	0.6
70.06594	0.3
72.07767	0.3
72.08162	6.1
79.68747	0.3
84.08155	0.7
91.05485	7.0
108.08104	0.3
112.11263	2.5
119.04951	19.5
129.13914	1.6
144.75426	0.3
146.16545	0.8
147.04414	100.0
148.04727	3.0
155.11819	0.7
172.14380	0.6
189.57385	0.3
203.11853	1.0
204.10208	45.6
205.10576	2.0
218.11790	4.8
221.12799	0.5
229.13454	0.9
274.19138	0.6
275.17465	2.7
276.18042	0.4
289.15402	1.5
292.20193	9.9
292.23364	0.6
293.20477	0.6
318.18066	0.3
420.22812	0.8
421.21384	1.0
438.23907	54.2
439.24243	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	438.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00376	0.3
56.05019	0.4
58.06588	1.1
58.95742	0.5
59.41796	0.3
63.03785	0.3
65.02346	0.3
65.03933	0.7
68.95428	0.3
69.07056	0.3
70.06585	2.3
70.21062	0.3
70.76827	0.7
71.81358	0.3
72.08154	10.9
74.06064	0.3
75.09234	0.9
76.68241	0.3
80.74203	0.3
82.91632	0.3
84.04493	0.5
84.08144	2.8
84.67486	0.3
86.09711	4.2
91.05485	9.2
96.38780	0.3
97.51292	0.3
97.86731	0.3
108.08099	0.6
108.79798	0.3
111.75158	0.3
112.11251	4.1
119.04941	22.5
120.05271	0.5
120.08115	0.4
129.10213	0.9
129.13905	3.3
134.05931	0.3
136.07581	0.9
146.06026	0.8
146.16513	2.7
147.04404	100.0
148.04741	3.0
155.11766	1.4
157.09703	1.2
181.09731	0.5
188.07126	0.7
203.11789	1.0
204.10197	38.1
205.10361	1.3
214.58052	0.3
218.11751	4.3
220.73854	0.4
221.12810	1.0
229.13435	1.4
271.14481	0.4
274.19241	0.5
275.17505	4.2
288.83249	0.4
289.15405	2.1
292.20197	13.0
293.20639	1.0
334.90695	0.3
361.22815	0.3
414.92175	0.3
420.22824	0.4
421.08786	0.4
421.21118	1.0
438.23859	51.6
439.10208	0.6
439.15591	4.1
439.24417	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	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	69.7
69.07060	6.6
69.08157	4.4
69.08581	9.9
71.08633	58.7
73.06535	2.7
77.67237	1.4
83.08621	1.7
83.16706	1.4
85.10181	33.3
85.10663	2.4
87.04459	1.9
89.06035	100.0
94.83579	1.6
97.10149	3.1
99.11749	5.3
107.07053	1.8
110.55397	1.7
113.13288	5.2
120.65987	1.7
127.14871	3.1
133.08606	61.5
134.08994	1.8
151.09688	4.7
170.79251	1.5
176.54024	1.5
177.11234	11.3
195.12276	3.4
221.13829	1.4
223.27925	1.6
239.14909	42.4
271.26450	2.7
377.32410	2.0
421.35266	24.0
422.35657	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	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90998	0.3
66.00826	0.3
69.71062	0.4
69.71407	1.3
70.06593	0.4
83.01096	0.9
93.04453	0.4
95.01104	1.7
96.01847	1.1
98.18139	0.3
100.93883	0.4
110.07158	0.7
112.01324	0.8
113.02131	2.4
118.72571	0.3
122.81574	0.3
126.02906	0.4
157.04729	1.0
164.79010	0.3
167.03171	0.6
169.04761	0.5
185.04219	4.0
201.03699	1.2
202.06009	3.3
203.05191	0.6
259.07861	1.0
277.10504	0.9
391.00519	0.4
439.15741	100.0
440.16125	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	439.2089
Annotation	Trp Pro His
Peak:m/z	Relative Intensity
51.12640	4.1
51.16042	4.5
51.22463	3.6
52.77330	3.8
60.79881	3.8
67.86494	3.7
69.78478	12.2
75.27764	4.0
81.07024	6.3
95.08638	7.3
104.82213	3.7
105.07023	6.5
109.10129	6.3
110.07179	5.7
149.02415	9.2
154.45950	4.0
188.88522	3.9
193.04967	9.8
194.05385	6.5
202.63504	3.9
233.30594	4.3
439.20853	100.0
439.26410	3.4
440.21146	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	439.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97532	0.5
70.06598	1.1
82.11171	0.5
84.08169	0.5
86.09731	1.4
98.02179	1.2
98.06090	0.7
106.24403	0.5
129.05705	0.5
142.50978	0.5
152.03172	0.9
170.04268	1.3
179.04340	1.1
181.05925	1.3
197.05316	3.1
209.05344	7.1
210.05626	0.6
211.10637	1.0
227.06389	51.0
228.06676	1.6
276.13196	0.6
283.86349	0.6
292.12720	1.7
294.14264	4.7
310.13794	1.9
310.17215	1.0
322.13672	6.9
323.13989	0.8
339.16367	1.1
340.14786	39.8
341.15189	2.1
391.19464	1.0
409.19775	1.0
409.61160	0.6
421.20480	2.4
439.21695	100.0
440.21851	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	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73838	14.9
55.05518	29.4
58.50982	16.1
67.05499	48.2
69.03437	26.5
69.07061	28.5
70.06586	19.3
78.64468	17.3
79.05487	62.4
81.03438	21.4
81.07060	55.2
82.54037	15.2
85.02912	62.9
86.09710	17.9
86.49715	14.9
91.05482	55.6
93.07019	91.9
95.08610	55.8
97.02898	32.9
104.10738	20.7
105.07040	71.0
107.08607	70.3
108.86539	17.6
109.10142	27.4
111.04355	19.1
112.17581	21.8
115.71239	17.7
117.07001	18.8
119.08583	42.9
121.10145	65.3
129.06989	24.9
131.08585	45.6
133.10147	36.5
135.11671	30.4
143.08594	27.9
145.10120	36.6
147.11705	30.4
149.02376	69.9
149.13298	30.5
150.02690	50.6
157.10164	19.4
159.11667	30.8
161.09781	16.5
169.10172	19.8
171.11639	21.1
184.07318	37.7
193.05005	100.0
194.05252	62.0
194.31891	18.3
235.17046	24.3
237.78264	16.5
238.70799	18.5
247.54468	15.7
277.21710	63.4
289.21652	26.9
322.67603	19.8
335.38058	17.3
356.43311	19.8
385.23816	30.2
402.45151	15.1
403.24680	19.9
416.92480	17.7
421.25726	26.8
439.28168	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01884	2.3
55.05515	15.9
57.03430	5.0
57.07080	18.0
65.03954	2.9
67.05508	56.3
69.03425	4.1
69.07069	34.7
69.90575	7.2
70.40511	2.1
71.08631	8.0
73.91618	2.5
76.16786	2.6
79.05504	31.9
81.07059	71.9
82.86994	2.4
83.04991	6.2
83.08608	12.8
85.06549	6.1
85.10183	5.7
85.85334	2.4
91.05488	32.5
93.07050	50.3
95.04980	4.1
95.08610	75.5
97.06550	3.9
97.10181	5.9
97.61172	2.0
98.23383	2.0
99.04472	2.1
105.07033	64.5
106.07356	3.5
107.08600	100.0
108.08926	4.1
109.06531	6.8
109.10162	99.0
110.10529	2.3
111.08062	5.2
111.11691	2.7
117.07005	20.0
119.08586	52.1
121.10144	37.1
123.08076	4.5
123.11723	14.8
125.09642	59.9
127.11157	2.3
127.76238	2.3
129.07001	7.3
131.08574	37.6
131.09499	3.4
133.10130	44.6
135.08069	6.8
135.11687	20.5
137.09621	3.0
137.13268	5.5
138.79601	2.0
142.07755	2.6
143.08554	15.3
144.09349	3.6
145.10135	46.6
147.11703	40.2
148.12086	2.4
149.09605	2.7
149.13245	17.6
151.07455	2.5
152.08304	4.0
155.08589	5.7
156.09425	2.9
157.10146	15.9
159.11702	46.9
160.12210	2.4
161.13274	32.0
161.88202	2.0
163.14786	12.5
165.09149	3.5
165.12738	5.2
169.10129	4.0
171.11736	13.0
173.13284	22.4
175.14832	20.5
176.89963	2.4
177.12790	3.5
177.16354	4.0
179.14320	4.5
181.10173	2.1
183.11720	6.9
185.13293	10.8
187.14861	27.2
189.16373	16.8
197.13263	6.0
199.14818	13.3
201.16399	23.1
203.17950	12.3
205.15895	7.0
207.13661	2.9
211.14862	9.1
213.16373	12.0
215.17931	24.6
219.17395	5.5
223.14867	2.6
225.16490	5.2
227.17961	7.5
229.19502	7.8
233.19139	3.2
237.16463	2.3
239.17984	3.0
241.19495	8.1
243.21158	4.4
245.18935	3.3
253.19510	3.9
257.19312	2.8
265.19516	3.1
267.21182	3.4
277.33499	2.5
281.22659	3.9
283.24094	2.7
295.24130	13.8
299.25854	62.5
313.25327	9.4
321.25897	4.8
325.15405	2.3
335.27264	3.0
339.26743	7.2
347.25711	21.1
353.29279	2.2
357.27832	7.6
365.26801	15.8
403.33450	9.1
409.34549	4.0
421.29358	11.0
421.34650	22.9
439.30399	39.3
439.35748	70.3
440.30820	3.7
440.36044	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63674	3.0
53.03954	3.6
55.05509	16.7
57.07084	8.4
66.69536	2.8
67.05506	47.6
69.07072	28.4
71.08632	3.1
71.30126	4.5
79.05497	36.0
81.07057	64.8
83.05006	4.7
83.08623	10.5
85.06554	4.1
91.05479	31.4
93.07042	53.2
94.07368	3.7
95.04988	3.3
95.08606	70.6
97.06542	5.7
97.10198	5.9
105.07030	55.8
105.07680	5.0
107.08593	88.6
108.08922	6.1
109.06519	4.7
109.10149	100.0
110.10474	4.4
111.08080	4.7
111.11742	3.4
117.07041	11.6
119.08587	50.0
121.06573	4.0
121.10145	42.9
121.74664	3.6
123.08112	4.3
123.11742	12.7
125.09623	52.2
125.10542	4.1
127.11213	4.5
129.06993	6.7
130.07805	3.1
131.08569	32.9
133.10121	40.4
135.11674	23.6
137.09648	4.2
137.13235	3.9
143.08594	13.7
144.09238	3.1
145.10127	46.5
147.11682	30.0
149.09631	3.8
149.13251	25.1
155.08560	6.4
157.10097	15.0
159.11673	46.5
161.13245	33.0
163.14842	8.8
169.10188	6.4
171.11722	15.2
173.13254	24.9
175.14825	20.7
177.16451	6.0
179.14293	5.0
183.11722	8.9
185.13251	11.7
187.14798	26.5
189.12730	3.5
189.16443	13.9
195.11720	5.7
197.13301	6.9
199.14871	12.7
201.16336	23.9
203.17932	6.5
205.15913	4.8
211.14868	8.5
213.16365	8.2
215.17940	24.9
219.17532	5.1
225.16417	6.7
229.19522	3.4
233.19101	6.2
237.16376	3.9
239.18034	6.0
241.19485	5.5
255.20749	4.5
279.21027	4.1
281.22748	5.3
285.22144	4.1
295.24268	10.1
313.25208	8.6
321.25848	5.0
339.26801	9.7
356.61563	3.0
357.27695	8.4
365.28229	3.9
403.33722	6.5
409.34760	3.9
421.34668	17.9
439.30310	3.9
439.35742	54.9
440.35764	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	440.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74617	7.6
55.05509	11.0
55.39010	6.6
60.02524	7.4
67.05518	12.7
69.19067	29.2
69.19472	17.5
70.06601	29.7
72.08155	18.6
79.05503	11.5
80.05851	6.9
81.07053	22.3
84.08134	9.7
86.09692	32.8
91.05481	10.7
93.07041	18.5
95.04971	7.6
95.08589	14.8
105.07029	12.9
109.06525	7.8
109.10172	6.7
110.07166	19.3
119.08555	12.1
121.10151	6.5
131.08557	8.2
133.10126	10.2
135.08167	7.3
136.28888	6.0
154.08565	9.2
156.09302	6.6
165.09068	8.9
165.52249	6.7
221.15414	6.7
252.45978	7.8
355.00558	7.2
394.77466	9.1
440.16779	100.0
440.28003	12.7
441.16440	8.6
441.24612	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.3
57.03452	11.5
57.91846	9.7
65.77949	10.0
69.03435	42.5
69.07069	44.1
69.81262	20.7
69.81652	20.2
71.08633	13.4
83.05006	9.4
85.02915	43.2
87.04475	20.4
97.02886	36.3
100.11270	27.3
111.04484	12.5
111.11750	12.4
115.03934	42.3
119.72698	9.6
130.08646	9.9
133.04965	26.9
135.04501	11.6
170.15421	34.6
182.15424	21.0
197.85611	9.5
198.14914	31.4
202.34520	9.3
210.14906	36.3
314.27963	15.2
336.22949	13.4
337.20999	12.9
424.31708	15.0
441.24634	100.0
441.34479	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
57.03436	10.0
57.06799	1.3
57.07076	22.6
67.05505	7.3
68.00776	0.6
69.07070	10.3
69.29283	3.9
70.39069	0.5
71.08633	17.3
79.05473	1.7
79.36212	0.5
81.07058	13.1
83.04964	0.8
83.08619	7.7
84.34350	0.6
85.06539	1.1
85.10180	8.1
89.06045	1.0
91.05482	1.2
93.07050	2.2
95.08603	13.9
96.57638	0.8
97.06499	0.6
97.10162	3.4
98.61951	0.6
99.08103	1.3
105.07043	0.8
107.08601	1.9
109.06519	1.5
109.10158	6.4
111.11720	2.0
119.08547	0.9
121.10125	1.6
123.08076	3.8
123.11695	2.5
125.09634	0.8
133.10085	1.3
135.08043	1.0
135.11713	1.1
137.13280	1.1
145.10172	0.7
151.14731	0.9
153.12778	0.8
179.14342	4.6
191.14371	0.9
207.21094	0.6
243.23152	2.7
251.20100	1.2
268.23846	0.6
268.26276	2.7
293.20978	1.1
299.25797	100.0
300.26086	6.8
303.26794	1.8
331.26245	6.1
349.27307	6.2
391.82645	0.6
405.29599	1.3
423.31009	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	440.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28308	0.6
55.05515	3.9
57.03440	7.3
57.06796	1.2
57.07079	22.6
67.05512	5.5
69.07074	10.0
71.08634	15.6
71.30307	0.6
79.05479	1.8
81.07061	11.1
83.04984	0.5
83.08615	5.0
85.06528	0.8
85.10183	8.6
91.05476	1.1
93.07053	2.3
95.08607	15.2
96.08906	0.6
97.09630	0.5
97.10159	3.4
103.07581	1.0
105.07027	1.4
107.08608	2.3
109.06512	0.6
109.10158	6.4
111.08064	0.8
111.11710	1.6
113.07487	0.5
119.08567	1.9
121.10146	1.1
123.08082	1.9
123.11699	2.8
123.51255	0.6
124.01594	0.7
125.13251	0.6
131.08534	0.6
133.10147	1.1
135.08087	0.9
135.11684	0.9
137.13289	1.3
145.10112	1.1
147.11627	0.5
149.13219	1.1
159.11674	0.8
179.14294	2.6
243.23227	2.0
251.20029	0.6
268.26364	2.4
299.25806	100.0
300.26199	6.1
331.26300	3.5
348.26102	1.7
349.27231	3.7
366.27072	0.9
423.30887	4.6
440.30716	3.9
440.36237	0.7
441.20862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.03435	4.9
57.07076	20.6
62.06093	23.3
65.22205	1.2
67.05504	4.5
69.07070	5.7
70.11150	3.1
70.11504	2.1
71.08630	12.6
79.05483	1.8
80.23456	1.1
81.07043	7.2
82.07371	1.2
83.08620	2.4
85.10180	7.4
95.08603	11.2
97.10162	1.4
98.98455	6.1
105.07042	1.6
107.08608	2.5
109.10139	6.0
114.04333	1.3
119.08605	1.6
123.11691	1.4
125.09628	1.3
131.08528	1.6
155.01053	4.8
158.73158	1.3
191.48219	1.2
198.05287	1.6
216.06387	1.6
225.22079	2.0
268.26407	10.0
299.25800	100.0
300.26132	6.8
349.07623	1.3
372.80679	1.2
379.22504	5.3
422.35196	1.3
440.35840	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	440.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.2
57.06793	1.4
57.07075	24.5
60.63099	0.6
64.55180	0.6
65.14491	0.8
69.07071	1.4
69.14919	6.2
71.08633	27.7
72.08970	0.8
73.06561	7.0
81.07043	1.0
82.86664	0.7
83.08629	3.6
85.10181	23.9
85.52686	0.6
87.04456	3.3
89.06029	100.0
90.06375	1.9
97.10167	1.1
98.22652	1.5
99.11713	3.2
105.07047	1.0
107.07092	1.7
107.08558	0.7
117.09136	2.9
123.03380	0.6
123.11711	0.6
131.07011	0.9
133.08601	45.1
134.08929	1.1
141.16379	3.9
177.11215	14.5
185.19037	4.5
195.12241	1.4
217.11261	0.7
221.13863	1.9
229.21588	7.5
239.14873	2.3
265.16299	0.7
273.24243	1.9
283.17471	10.0
379.30518	1.0
423.33194	10.5
424.33832	1.2
440.35696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79253	1.2
56.96568	18.9
60.79792	1.3
62.27338	1.4
68.51051	1.3
70.06588	6.4
71.95268	2.2
84.96038	8.1
98.97586	58.7
103.05476	5.4
110.97571	28.2
112.99128	2.6
116.98623	26.9
124.98218	1.3
128.98611	28.0
131.00166	4.1
131.04918	19.1
134.99692	10.6
143.00145	5.0
144.98036	1.5
146.99649	17.7
149.01247	2.6
156.86652	1.4
158.99690	5.2
161.01241	6.1
163.07550	4.7
165.00729	2.5
170.99689	6.5
177.00693	5.8
179.02246	3.3
189.00746	5.7
201.00726	5.9
204.00851	2.1
209.47517	1.3
213.00760	1.7
219.01785	48.5
220.02051	2.1
222.02026	12.6
233.65446	1.4
237.02795	100.0
238.03088	3.8
240.03064	10.5
247.40111	1.4
251.02243	2.1
255.03944	5.6
258.04245	2.6
260.04449	2.9
261.02692	1.9
279.03958	2.5
300.02966	2.7
318.04062	4.9
333.06503	2.7
337.29346	1.7
348.05081	3.5
363.07535	15.0
366.06293	3.3
381.08588	24.3
399.05176	2.2
399.09668	25.4
400.09854	1.9
423.56140	1.7
441.10544	26.7
441.15857	4.7
442.10703	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	441.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85922	4.1
69.07069	69.0
69.15399	18.0
69.15816	7.1
70.06582	16.3
76.47218	3.5
85.02896	6.5
85.04436	3.9
97.93645	3.8
98.97547	6.7
101.04250	12.7
102.22063	3.7
110.07194	5.6
112.07579	4.1
129.10181	4.6
138.10406	4.0
140.07089	36.8
142.31451	4.3
170.06302	8.9
171.21413	4.1
172.04263	37.0
199.04282	3.8
216.06889	100.0
262.07437	50.5
279.84598	4.3
299.72879	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	441.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01873	0.7
55.05502	0.7
56.05045	0.6
56.59404	0.5
57.33764	0.5
58.02957	1.6
61.02930	0.5
65.03922	0.6
66.25919	0.5
67.05519	0.6
69.03431	2.7
69.07066	0.6
69.44923	0.9
69.45328	1.9
70.02945	0.8
70.06591	2.3
71.04977	0.7
71.66587	0.5
72.04517	0.8
72.08141	2.2
74.02428	0.7
74.12487	0.5
77.83384	0.4
78.43436	0.4
79.05490	1.3
81.03423	1.7
81.07054	1.2
82.44452	0.4
84.08122	0.7
85.02904	6.3
86.09706	9.8
91.05484	15.5
93.07035	1.5
95.04990	1.0
95.08624	0.5
96.04508	0.8
97.02886	2.5
98.22603	0.6
99.04448	0.5
103.05464	5.9
105.07032	39.1
106.07366	1.7
107.08556	0.6
109.02897	0.9
110.07159	0.9
110.49018	0.5
112.03990	0.7
112.11235	0.6
115.05445	1.6
117.07022	4.1
118.04978	0.7
118.06477	0.7
119.07347	2.4
120.08106	98.5
121.08444	3.1
121.10130	0.7
127.03910	1.5
128.06204	1.3
128.10707	2.9
129.06984	0.6
130.06543	3.0
131.08571	0.4
132.08081	4.3
132.10194	2.9
133.06488	6.0
134.09657	26.8
136.07637	0.6
143.07413	0.7
143.08571	2.5
144.08081	16.9
145.06496	0.5
145.08495	0.9
153.06984	0.7
156.08073	0.7
159.11786	0.7
162.09145	100.0
163.09477	3.2
164.10680	1.1
165.09157	0.7
168.08125	0.9
171.08051	3.4
174.11267	2.7
179.68420	0.4
182.09641	0.9
184.07375	0.7
185.07779	0.6
186.09108	1.0
194.11867	0.5
198.09122	4.4
210.09277	0.8
210.11246	2.2
212.10568	0.5
212.12801	0.9
228.10069	1.3
233.16475	1.2
246.11270	1.0
257.16422	1.2
264.12256	3.1
275.17487	4.6
279.17038	20.2
280.17334	1.5
303.17038	2.5
311.17416	0.9
321.18082	46.4
322.18408	3.3
357.18088	14.7
358.18353	0.6
359.19687	0.8
362.68256	0.4
387.18927	2.4
405.20026	2.3
441.20605	1.5
441.25443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01875	0.9
55.05513	0.6
56.05031	0.7
57.03441	0.7
58.02960	1.3
58.06599	1.0
60.04529	2.3
61.02929	0.4
67.05488	0.8
68.05039	0.7
69.03430	1.8
69.07074	6.5
69.77856	1.6
70.02954	0.5
70.06599	4.2
71.04985	0.8
71.08627	1.1
72.04523	6.4
72.08160	3.0
73.02909	0.5
74.70856	0.4
75.17667	0.4
77.95232	0.4
79.65386	0.4
81.03421	2.0
81.07063	1.0
82.06567	0.5
84.08141	0.9
85.02914	5.5
86.06074	1.7
86.09711	41.5
91.05473	1.2
93.07059	1.8
96.04492	2.2
97.02892	1.7
98.09698	2.0
99.04455	0.9
100.11256	7.6
103.05492	0.8
105.07050	0.9
107.08631	0.9
108.04496	0.7
109.02910	0.7
110.06082	0.5
110.09666	1.3
115.03965	0.4
117.07005	0.9
119.08571	0.5
120.08111	10.0
122.05949	0.6
126.05534	0.7
127.03939	0.7
128.10722	100.0
129.11032	2.6
130.69151	0.5
131.04961	0.4
131.08623	0.4
134.09703	0.7
138.75693	0.4
144.08099	1.1
162.09145	2.2
164.10696	3.6
166.08649	4.9
169.13313	0.7
194.11790	1.2
208.09683	5.2
212.12863	1.3
229.17223	0.5
230.13937	4.5
244.09741	1.6
275.17548	4.1
276.17868	0.5
279.17050	9.6
280.17523	0.9
292.11807	0.7
303.17120	2.1
321.18085	36.1
322.18475	2.1
357.18134	9.9
358.18683	0.7
359.19559	0.5
387.19186	1.5
405.20224	1.8
423.21298	0.5
441.20169	1.0
441.24832	1.8
457.79590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.6
58.06602	100.0
59.06939	1.3
67.05531	0.6
69.53671	2.4
70.06586	4.3
70.93020	0.5
71.06924	0.6
72.08155	1.1
73.05311	0.7
78.90733	0.5
79.64503	0.5
84.04514	1.4
86.09673	0.6
88.07625	1.6
91.05497	0.6
96.03107	0.5
96.80286	0.4
101.60089	0.4
102.05592	0.6
118.08667	2.0
120.08146	1.6
130.05013	1.2
137.11320	0.5
138.81625	0.5
148.06047	0.6
337.17584	0.5
340.83939	0.5
357.24313	0.5
423.24933	0.7
441.25995	37.4
442.26187	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	441.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
56.05040	0.7
63.71289	0.4
67.05492	0.4
69.07031	0.9
69.31818	2.2
70.06590	38.5
71.06925	0.4
72.08153	36.0
73.08492	0.7
74.06074	0.4
81.07032	0.6
81.80649	0.4
83.04993	0.6
84.04497	4.8
84.08131	1.1
85.02916	0.5
86.09702	100.0
87.10049	1.8
91.05480	1.6
93.07065	0.8
98.06033	0.6
100.07595	0.5
100.11250	1.9
102.05547	1.7
103.05476	1.3
104.10740	1.6
110.07172	0.9
116.07088	42.0
117.07414	0.7
120.08102	32.6
125.00044	0.7
142.12277	0.7
156.13866	0.7
166.08653	7.0
169.13335	2.7
178.43846	0.5
178.58617	0.4
183.14894	4.5
184.07295	2.3
185.16487	31.5
186.09158	2.9
186.16801	1.3
197.12871	2.7
204.10210	0.7
210.14876	0.6
211.14412	3.0
213.15971	49.2
214.16321	2.3
215.10419	0.5
215.13927	0.4
227.17584	0.5
229.15465	28.7
230.15825	1.2
231.11293	4.4
231.16849	0.7
245.18620	0.7
249.12347	4.9
250.54791	0.4
259.10840	0.6
269.18573	0.5
277.11774	1.1
281.22293	1.5
310.21198	1.0
313.15457	0.7
326.24387	6.6
327.24478	0.7
328.22238	1.5
342.23877	1.4
441.21085	1.6
441.30414	1.2
441.35165	0.7
442.21939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.1
57.03431	3.5
57.07073	8.0
66.97577	1.5
67.05506	13.3
69.07068	24.0
69.86965	7.9
71.04995	1.8
71.08632	10.3
79.05496	9.9
81.07059	26.6
83.04996	3.6
83.08612	9.1
91.05494	6.4
93.07046	11.9
95.08605	28.2
95.32860	1.6
97.06537	3.8
97.10174	2.3
99.08086	10.5
105.07037	6.5
107.03873	1.7
107.08616	15.0
109.06487	12.3
109.10136	10.9
111.08100	5.0
118.50259	1.9
119.08605	11.7
121.06502	1.7
121.10159	13.0
121.59987	1.8
123.08068	38.9
123.08928	2.6
123.11708	6.6
128.78221	1.6
131.08542	4.1
133.10136	10.7
135.08012	10.4
135.11729	4.6
137.09641	3.2
137.13246	2.8
139.07516	2.0
145.10101	4.2
147.11707	4.5
149.09544	4.1
149.13246	3.9
151.11159	2.2
153.12750	5.5
159.11708	4.0
160.88055	1.9
161.13260	2.8
163.14789	2.1
165.12935	2.0
173.13335	2.0
175.14841	3.2
177.16469	1.8
179.14313	52.0
179.91293	1.7
189.16402	3.3
191.14333	4.9
193.15897	3.0
205.15929	2.3
251.20042	10.8
252.33586	1.8
275.20148	3.2
293.21048	9.0
293.28406	4.2
303.26886	17.4
321.27960	5.4
331.26294	64.8
332.26569	4.6
349.27347	58.2
350.27771	7.7
405.30130	3.5
423.31049	100.0
424.31317	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	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28673	1.3
53.03940	3.1
55.05507	1.7
56.00968	1.3
56.05030	2.5
57.03439	1.3
58.29851	1.3
59.41745	1.0
64.34574	1.0
67.05481	1.3
67.15890	1.1
69.03423	6.9
69.07067	7.1
70.06590	23.1
70.07387	2.0
71.04994	2.6
71.06935	2.4
71.29842	2.0
72.08154	22.6
73.02965	1.4
73.08478	2.3
74.06074	4.9
75.96484	1.2
79.05504	1.8
81.03416	8.9
81.07057	2.8
84.04521	3.0
84.08147	2.9
85.02908	33.2
86.03280	1.2
86.09705	100.0
87.10031	28.5
91.05468	2.8
93.07032	2.4
95.04960	1.8
95.08585	1.3
97.02888	15.2
99.04456	19.8
103.03944	43.9
103.05491	1.7
105.07026	1.6
109.02888	10.6
109.06485	1.4
110.07150	1.4
112.04200	1.0
113.26550	1.1
116.07084	5.2
120.08105	15.6
123.04459	1.3
123.08076	1.1
125.86418	1.0
126.05539	6.7
127.03909	47.1
127.05832	2.0
129.10219	1.7
136.07585	2.5
145.04956	31.7
145.10101	1.3
157.13339	1.5
163.06023	19.5
166.08626	4.0
169.13348	1.7
185.16530	3.2
186.09135	1.2
186.16745	2.2
187.05995	1.9
197.09193	9.6
198.09543	6.5
205.07114	2.6
213.15988	4.8
214.16370	5.0
215.10318	2.7
216.10616	3.8
231.11369	2.2
243.17113	2.8
249.12323	2.6
253.07161	1.2
271.08234	5.0
289.09222	2.4
300.19302	2.8
301.19531	7.6
307.10135	4.6
327.24677	1.4
329.18951	5.3
424.26535	1.9
442.27814	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68648	3.5
55.05509	18.9
57.03426	19.4
57.07087	3.9
59.04993	7.5
61.02932	6.6
67.05512	7.9
69.03429	62.2
69.53444	8.0
69.53853	11.7
70.06586	11.1
71.08643	24.7
73.02893	4.2
81.03407	3.6
81.07078	6.9
82.06571	7.9
83.04976	9.5
83.08631	12.0
84.08154	7.7
85.02902	100.0
85.06538	6.3
86.09718	20.3
87.04470	44.1
88.11271	22.2
91.03983	3.7
95.08622	6.3
97.02895	58.5
98.23334	5.5
100.07618	13.2
100.11259	50.5
102.90686	2.9
105.07076	3.2
109.02886	7.1
110.06046	6.4
111.04424	17.2
112.07594	5.7
115.03929	65.2
127.03934	13.0
128.07106	12.9
133.04967	78.1
133.10147	4.3
145.04945	35.8
150.07617	4.4
152.14388	4.6
163.06001	17.2
170.15393	87.4
179.85849	3.4
182.15405	49.4
197.16583	3.3
198.14914	58.2
208.27759	3.3
209.16470	7.8
210.14893	56.5
227.17520	4.1
228.15921	13.3
245.18640	17.1
296.26920	3.9
297.25293	11.5
336.22784	5.6
337.21194	24.1
355.22220	13.4
424.31622	40.3
442.32858	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.3
56.05029	1.5
58.06594	5.1
69.07053	8.8
69.14011	8.0
69.14416	2.2
70.06590	73.7
70.17220	1.2
72.08154	65.7
83.27777	1.1
84.04509	2.0
84.08151	3.9
85.04043	2.1
86.09704	100.0
87.05586	11.7
96.08115	6.4
97.08450	1.3
98.02408	5.3
110.09663	2.2
113.10758	2.3
115.05068	1.7
116.07088	36.1
120.08101	1.7
127.08692	4.7
129.10257	3.5
138.09152	5.4
141.10217	26.8
155.11790	27.4
169.09756	1.7
173.09221	1.3
182.12979	1.3
183.11284	19.9
185.09167	2.7
186.12415	6.9
200.13942	82.9
201.14348	2.0
211.10735	1.8
213.08733	3.1
214.11937	2.3
215.13910	22.5
222.16089	2.1
228.13425	92.1
229.11908	1.4
229.15520	28.5
268.16595	2.9
282.18033	1.8
299.20621	2.2
309.19171	2.8
310.17612	2.8
312.15536	2.1
327.20242	28.1
404.37332	1.3
442.26645	2.7
443.18863	2.3
453.79645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47755	2.2
90.93779	1.1
104.99277	100.0
105.99608	1.6
120.96668	1.1
128.42268	1.0
150.05812	0.9
186.99545	19.1
268.99887	3.1
278.92310	2.1
278.95410	40.5
279.95761	1.2
318.54996	0.9
360.95844	2.6
371.94910	0.9
427.62915	1.0
446.46552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03661	13.7
69.51804	66.5
71.02328	13.0
89.96934	12.9
98.22613	19.2
100.64344	13.1
213.46680	13.9
257.46487	15.3
319.58319	16.0
438.20258	14.1
443.23938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87487	0.4
55.05518	1.1
70.06593	100.0
71.06947	0.8
71.28754	0.8
72.08160	10.1
82.06577	0.8
84.08147	0.8
86.09711	2.0
88.03987	1.3
96.08155	0.7
98.02429	0.9
99.09262	0.5
116.07155	0.5
119.39731	0.5
122.20082	0.5
127.07800	0.4
127.08688	2.5
142.08620	4.2
146.61322	0.5
169.09651	0.6
170.08093	0.5
183.14899	1.2
187.10779	9.9
201.12408	0.6
215.10330	1.3
229.15471	71.2
230.15849	3.0
299.55594	0.5
444.25842	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	443.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04831	1.2
54.54390	1.4
55.05516	10.0
56.05031	3.6
57.03435	3.0
60.05635	1.9
61.02923	1.4
62.03245	1.3
69.03419	7.9
69.07077	2.8
69.19373	10.2
70.06596	100.0
71.06928	6.9
72.08160	32.9
73.02918	3.7
74.06098	3.4
81.03434	2.6
83.08622	4.7
84.04507	4.4
84.08154	23.9
85.02910	9.9
86.09709	83.3
87.04456	2.2
87.10043	1.9
91.05499	1.7
97.02914	3.7
98.06069	3.2
98.23348	2.8
98.97572	1.7
99.04452	2.5
100.11262	67.4
100.34240	1.4
104.07098	3.6
110.07156	4.1
110.97512	1.7
112.08730	5.4
115.08691	2.8
116.07098	6.8
120.08121	3.4
122.06040	3.5
127.03891	2.3
127.08677	3.4
129.10255	13.1
136.07597	2.4
140.08136	1.5
144.06517	2.0
144.10153	2.1
147.09175	66.9
148.06343	3.4
148.09517	4.7
148.81744	1.5
149.07101	2.1
155.08154	2.5
161.12842	2.0
163.03880	2.2
169.13396	7.5
173.09250	1.6
176.54216	1.4
183.11276	1.8
183.14937	4.8
185.16464	3.1
187.10786	3.5
196.06108	2.5
197.12875	5.4
209.16495	12.2
213.15901	3.1
217.13416	2.9
217.15463	22.3
225.17068	2.1
227.17552	63.0
228.17746	2.4
228.84671	1.8
231.09708	14.6
233.39345	1.7
237.00797	2.7
245.26239	1.6
263.13840	3.4
281.14975	57.1
282.15375	3.4
306.13318	3.2
322.96927	1.7
443.20187	89.1
443.25269	3.6
443.75018	2.9
443.91129	1.5
444.20251	8.0
444.29144	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	445.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.05033	6.2
57.03437	8.1
57.05818	1.1
58.06601	36.3
59.04998	2.5
60.04517	5.3
60.05652	1.3
61.02928	1.8
67.05500	1.3
69.03429	34.9
69.07064	5.8
70.02943	1.4
70.06593	57.6
71.04994	0.9
71.06930	3.9
71.29042	1.4
72.08150	30.1
72.08541	1.7
73.02908	1.4
73.04753	16.2
74.06094	4.4
75.04491	1.2
75.05588	0.9
79.08917	0.8
81.03413	1.3
82.02955	1.5
83.06113	1.4
84.04502	11.3
84.08144	22.2
85.02902	25.9
85.08516	1.7
86.09705	100.0
87.04469	26.3
87.05585	2.2
87.10043	2.8
88.04021	2.4
91.05799	35.5
95.06120	1.2
96.08110	1.3
97.02889	23.4
97.03510	1.2
98.03246	1.1
98.06072	1.6
98.97578	1.2
101.07143	3.8
102.05524	4.7
102.12067	1.0
102.80198	0.8
107.04975	3.5
109.02854	1.1
110.07178	3.1
112.07591	1.0
112.08759	3.3
115.03928	35.3
115.08701	2.6
116.07104	3.5
117.06647	0.9
118.08653	1.5
120.06550	1.9
120.08114	1.8
123.04447	1.0
126.05521	1.8
127.03902	2.9
129.06609	2.4
129.10245	15.4
130.04958	4.3
130.08632	2.2
130.10583	1.4
133.04974	41.7
133.05960	2.1
136.07594	3.0
140.08202	1.5
141.06520	1.0
141.10202	1.4
143.11827	1.9
144.06589	1.1
145.04948	3.6
145.06081	2.4
147.07632	6.8
147.11295	3.4
148.05997	4.4
149.04498	3.1
150.07616	9.5
152.07140	1.2
155.11774	1.5
157.09737	3.9
157.13379	2.0
159.07611	1.5
159.11310	1.9
163.03876	2.1
163.06033	1.4
167.05550	15.4
171.11351	1.1
173.12880	3.9
176.07047	14.6
176.08430	1.2
183.11310	3.0
183.14983	1.3
185.09239	2.0
185.12941	1.8
186.08681	1.3
187.07268	1.1
187.10774	2.0
187.14449	1.9
199.18077	10.9
200.13945	1.9
201.12302	4.3
203.10321	1.8
212.10303	2.1
217.11855	9.4
219.09760	6.5
220.09264	1.3
225.04260	7.3
225.17012	1.7
227.02260	1.9
227.13940	2.0
227.17535	5.0
228.13431	2.6
228.17093	1.0
231.09837	2.0
237.12224	1.5
240.13423	1.3
245.11249	2.4
247.12991	2.0
260.16119	3.6
260.19763	1.5
266.10281	1.6
277.09302	1.2
283.05829	1.1
283.17584	2.0
284.18576	5.4
295.10217	1.0
299.06406	1.4
299.20746	1.4
300.19336	1.1
324.98901	1.5
338.12079	1.1
341.01895	1.4
342.99719	3.8
359.02841	24.3
360.02924	2.8
428.15491	1.6
444.29599	1.6
445.16541	2.0
445.29599	7.5
446.10904	1.5
446.23618	16.5
467.25903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2045
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
53.94477	0.2
55.05503	0.7
58.80037	0.2
60.04520	0.3
60.57729	0.2
62.55587	0.2
67.05499	0.5
69.07048	0.2
69.76891	0.9
70.06586	0.8
72.08159	2.3
73.04752	1.7
79.05494	0.3
81.07044	0.6
84.08153	1.1
85.02897	0.5
85.06521	0.3
86.09705	2.1
91.05808	2.8
93.07058	0.5
95.08586	0.4
97.02925	0.3
98.06066	0.4
99.05656	0.2
107.08585	0.2
115.08686	0.3
119.08623	0.4
123.11692	0.2
123.95403	0.2
127.03938	0.4
129.10246	0.5
133.10106	0.3
145.03432	0.4
146.11787	0.7
151.07529	2.4
167.05566	1.4
173.12811	1.1
185.02785	0.2
191.10690	0.4
201.12404	0.7
210.14883	0.3
225.04309	0.9
245.18661	0.4
275.07245	0.3
299.00146	0.2
333.07913	12.0
334.08514	0.5
335.09335	0.3
342.99765	0.2
343.15939	0.5
349.30991	0.2
359.02863	2.4
360.03033	0.3
445.20432	100.0
446.20822	8.9
446.26978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57407	0.2
54.38591	0.2
55.01868	0.3
55.05513	3.6
56.05040	0.8
57.05815	0.6
58.06606	0.3
60.04526	0.2
64.77576	0.2
69.03386	0.2
69.07066	3.5
69.47621	1.5
70.06596	2.8
70.07411	0.2
71.06945	0.3
72.08156	40.5
73.04754	1.7
73.08488	0.8
74.06100	1.1
84.04501	1.9
84.08138	1.6
86.09706	100.0
87.05600	0.3
87.10037	2.8
91.05814	1.4
93.03373	0.2
96.22634	0.2
102.05526	1.3
107.04977	0.3
114.09180	0.3
116.07085	0.3
119.04911	0.5
120.06580	3.0
120.08080	0.6
121.02864	1.2
121.49832	0.2
128.10747	0.3
129.10237	1.3
129.74913	0.2
130.05048	1.3
131.81171	0.2
143.11815	1.1
147.04411	0.3
147.07658	0.7
148.06017	0.7
157.13309	1.3
167.05560	0.8
171.11299	0.4
171.18660	0.3
173.12820	1.1
177.01727	0.3
185.09241	0.3
185.12859	1.6
185.16463	2.2
189.01781	0.2
191.03249	0.3
195.02867	0.3
197.12743	0.4
199.18057	24.1
200.18364	0.9
201.12331	3.5
203.03331	0.7
203.13882	0.7
207.02805	0.3
213.15973	2.4
215.13924	1.3
217.04941	0.2
219.13390	16.2
220.13582	0.6
225.04068	0.2
227.17545	23.3
228.13493	0.3
228.17867	1.1
233.14850	0.7
243.13293	0.9
255.38918	0.2
261.14429	2.1
281.22119	0.5
282.20529	0.2
283.20819	0.9
284.11868	0.2
284.22092	0.4
291.28595	0.3
294.05252	0.4
295.05945	2.4
296.06351	0.4
297.07428	0.2
298.21100	0.5
307.05759	0.7
308.06592	0.5
309.07211	0.4
314.20691	0.5
321.07376	0.8
322.07864	0.3
325.07120	2.5
326.24399	2.3
332.17981	0.3
335.09131	0.4
337.07071	1.1
342.99695	0.3
349.06793	0.7
351.08728	0.5
359.02798	1.5
360.02692	0.4
361.06985	0.7
363.08322	0.7
375.08575	0.3
379.08099	1.4
380.17725	0.2
391.08096	1.3
399.08423	0.6
400.30032	0.2
409.09174	1.9
417.09241	0.3
427.08524	0.7
427.29184	0.4
445.09079	1.7
445.16568	0.8
445.25702	0.5
446.09369	0.4
446.26996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05510	9.1
56.05041	1.1
57.05819	1.1
58.13617	0.5
63.99197	0.5
65.03944	0.8
66.17822	0.5
69.03413	0.8
69.07066	5.5
69.18906	3.2
69.19315	1.1
70.06593	6.8
72.08153	100.0
73.04755	3.1
73.08485	2.0
81.03425	0.7
84.04487	3.2
84.08141	5.3
85.02909	0.9
86.09702	98.4
87.05587	0.5
87.10038	2.6
88.03986	2.1
91.05827	5.2
95.04968	0.6
95.08603	0.6
96.08124	1.0
97.02901	0.5
98.01441	0.5
99.04548	0.5
102.05553	2.3
107.04953	1.4
109.02880	1.0
110.02414	0.7
111.04462	0.6
113.10692	0.6
116.07056	1.1
116.90817	0.5
119.04942	2.5
120.06580	1.4
120.08076	1.3
121.02866	7.6
121.08316	0.5
128.10677	0.9
129.10220	3.2
130.05011	0.6
132.10196	4.5
135.04414	0.5
136.07596	1.1
137.19089	0.5
141.10220	1.7
143.11743	1.4
144.06537	1.3
145.02841	0.7
147.07660	0.7
153.10214	1.4
157.13399	3.3
159.09132	1.3
162.07649	2.7
163.03943	0.6
166.08604	0.8
167.05522	2.3
169.06320	0.7
169.09610	0.6
170.06050	0.6
171.14920	21.2
172.15265	1.2
175.03917	0.7
177.01830	1.6
185.12885	4.1
185.16481	12.6
187.10773	1.9
189.01772	0.9
191.03346	0.8
195.02893	2.5
199.14432	10.1
199.18054	8.3
200.14813	0.7
201.08655	0.6
201.12282	4.3
203.03287	1.7
203.13913	1.4
207.02786	1.1
213.15970	15.3
215.03435	0.9
215.10266	1.6
215.13867	2.9
217.04961	1.1
219.02859	0.9
219.13376	5.0
221.04436	1.2
225.04161	0.7
227.17543	9.1
229.11841	1.6
233.14926	11.0
243.02814	0.7
243.13412	3.4
245.04463	0.8
247.12869	9.7
248.13182	1.0
248.19978	1.8
261.14395	3.3
265.14563	0.6
266.21112	1.8
279.06625	0.8
281.22131	0.8
282.05167	0.6
283.05850	0.8
283.20847	1.3
293.08118	0.7
294.05072	1.7
295.05975	13.9
296.06302	1.9
297.07355	1.9
307.05890	2.9
308.06577	2.1
309.07309	2.1
313.06940	0.9
314.17081	3.1
314.20041	0.6
321.07443	4.8
322.08148	1.3
323.08908	0.6
325.07047	10.4
326.07315	1.3
326.24109	2.4
333.07416	1.4
334.07828	0.7
335.08914	2.1
337.07037	5.4
345.07416	0.8
349.07043	4.7
350.07108	1.1
351.08640	2.5
355.07996	1.2
359.02789	4.0
361.06934	2.9
363.08606	3.1
373.06616	0.6
375.08319	1.0
379.08072	9.1
380.08295	1.2
389.09851	0.7
391.08057	9.0
399.08618	3.0
409.09161	10.4
410.09238	1.7
417.09222	1.2
427.09225	3.7
428.26050	1.4
445.09152	11.6
445.20477	0.9
445.25613	2.2
446.09341	1.6
446.27591	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
55.39411	0.3
56.05033	0.9
57.05803	0.6
60.05700	0.3
64.90336	0.3
69.07068	3.5
70.06593	2.7
71.29365	0.4
72.08156	40.4
73.04758	1.4
73.08488	0.6
74.06093	0.9
79.34456	0.3
84.04510	2.1
84.08134	3.0
86.09705	100.0
87.10023	2.0
91.05784	1.1
96.08099	0.4
102.05533	1.2
109.02863	0.3
110.07142	0.5
114.05545	0.5
114.09115	0.3
116.07052	0.3
119.04953	0.5
120.06586	3.0
120.08061	0.7
121.02863	2.2
127.67090	0.3
129.10239	1.9
130.04974	1.3
130.46378	0.3
132.10239	0.4
143.11765	0.9
147.07574	0.5
157.13336	1.0
159.09160	0.5
167.05554	0.6
170.11919	0.3
171.11281	0.6
173.12785	1.3
177.01796	0.5
185.09238	0.4
185.12904	1.5
185.16457	2.3
195.02914	0.4
197.12878	0.5
199.18050	23.2
200.18303	1.0
201.12349	4.5
203.03317	0.5
203.13860	1.3
207.02806	0.4
213.16028	2.4
215.13936	1.5
217.05055	0.5
219.13400	17.7
220.13611	0.7
227.17535	25.7
228.17656	1.0
233.14941	0.6
243.13435	1.7
258.14261	0.4
261.14395	1.5
281.22345	0.6
282.20334	0.5
283.20969	1.6
294.05307	0.4
295.05984	3.5
296.06384	0.6
297.07428	0.3
301.15411	0.4
307.05893	0.7
308.06613	0.6
309.07333	0.5
314.20657	0.5
320.06836	0.5
321.07352	1.1
325.07071	2.5
326.24411	2.7
333.07248	0.4
335.08969	0.3
337.06851	1.5
339.32019	0.3
349.06863	1.3
351.08560	0.7
355.08099	0.4
357.99365	0.4
359.02875	1.3
361.06879	0.9
363.08438	0.8
375.08475	0.6
379.08105	2.2
391.08044	2.1
399.08374	0.8
409.09149	2.8
410.09134	0.3
417.09268	0.4
427.08939	0.7
427.29065	0.6
445.09103	2.6
445.16422	0.7
445.25995	0.8
446.08820	0.5
446.27103	0.8
460.58810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
52.02198	4.5
55.05511	9.4
56.09447	4.3
61.62440	4.5
67.05474	5.5
69.07056	11.5
69.10380	5.6
71.04992	11.3
71.08639	4.9
81.07061	27.5
82.44293	5.1
93.07027	10.9
95.08623	25.3
98.23379	11.8
98.98451	5.6
103.73489	4.9
109.10173	9.1
119.08611	7.8
123.07987	6.4
133.77893	4.5
137.05992	16.4
151.07558	21.9
153.05441	5.3
161.06117	5.1
165.05475	19.7
167.07040	100.0
177.09113	6.8
186.69601	5.2
189.09164	18.8
203.10718	8.7
207.10112	7.9
217.12292	14.3
228.79900	5.9
265.32715	5.0
321.20905	5.9
427.32187	36.9
445.33328	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22403	2.4
55.05507	12.9
57.07075	8.3
67.05508	20.9
69.07074	20.8
69.27211	16.2
71.08617	5.2
79.05492	9.1
81.07063	57.4
83.04977	4.4
83.08622	10.4
85.06531	2.5
85.10184	2.9
91.05443	4.1
93.07059	11.3
95.04958	3.7
95.08609	39.7
97.10177	5.9
98.23268	6.3
105.07035	6.0
107.08578	8.0
109.06532	5.9
109.10172	23.1
110.56021	2.2
111.11729	2.7
111.36921	3.1
119.08611	5.0
121.06487	4.0
121.10143	4.8
123.08086	5.8
123.11705	15.6
125.05971	3.1
131.08554	3.1
133.10138	3.1
135.08051	3.7
135.11681	2.8
137.05978	17.8
137.13284	5.8
138.06726	3.1
139.07549	8.1
149.05984	4.7
151.07553	41.5
161.06044	4.1
163.14876	3.2
165.05493	10.4
165.09120	13.6
165.16431	2.9
166.06313	7.8
167.07056	100.0
171.11662	2.4
175.07567	4.8
175.11244	2.4
177.09119	6.5
179.07047	4.9
179.10670	3.6
181.08626	6.3
189.09102	15.1
191.06953	2.8
191.10680	3.2
193.08624	7.9
203.10677	8.7
205.08598	2.8
207.10173	10.1
217.12299	5.4
219.09976	2.9
221.11771	2.9
231.13885	3.5
271.29138	2.3
427.32230	8.4
445.32953	8.6
446.33713	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
55.05510	11.8
57.03440	1.0
57.07069	4.5
57.96122	0.7
67.05509	6.1
69.07069	16.0
71.08627	1.6
75.19310	0.7
79.05480	1.5
81.07062	9.0
83.08621	10.5
85.10184	0.9
88.93190	0.7
91.05481	2.4
93.07026	2.6
95.08604	7.1
97.10178	5.4
98.33934	0.8
105.07039	2.3
106.70000	0.7
107.08595	3.9
109.10161	7.7
111.11707	2.8
114.48752	0.8
117.06988	0.8
119.08583	4.4
121.06518	0.8
121.10139	3.1
122.07345	1.0
122.56693	0.7
123.08076	1.5
123.11700	2.2
131.08585	1.2
135.08058	3.0
135.11647	1.4
137.06050	1.4
137.09613	10.2
137.13248	1.3
139.07547	1.3
143.08513	1.0
145.10129	1.1
149.09636	9.2
149.13225	0.8
151.07527	2.1
157.10165	0.7
159.11687	1.6
161.09531	1.0
163.11172	8.6
165.09120	100.0
166.09418	3.4
167.07065	1.5
173.09671	0.7
173.13252	0.9
175.11217	4.5
176.08336	1.2
177.09142	6.2
179.10710	1.7
186.10443	1.3
187.11203	1.6
189.09160	2.6
189.12712	1.6
191.10701	5.1
199.11198	2.3
201.12793	1.5
203.10701	5.2
203.14360	1.5
205.12233	8.5
215.14279	0.9
216.11319	0.9
217.12135	1.3
219.13779	1.9
231.13840	1.2
245.15359	0.8
269.16159	0.7
316.06982	0.8
387.16022	1.9
399.32413	0.8
401.17734	1.9
402.18649	1.2
415.15335	3.6
417.16867	1.0
427.35782	3.5
429.16873	1.2
430.17422	3.8
431.18179	2.1
445.20084	22.6
445.37024	7.0
446.20682	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	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.05507	1.6
55.90731	0.7
57.03439	2.0
61.02917	2.1
67.28616	0.8
67.79818	0.9
69.01928	6.5
69.03433	10.8
69.07086	1.0
70.06598	3.0
71.04990	4.3
72.08150	5.6
73.02916	2.3
73.04769	2.1
78.52549	0.9
79.05490	0.9
81.03417	13.6
81.07030	1.2
84.04501	2.5
84.08152	2.6
85.02907	71.2
86.03255	1.1
86.09702	8.8
87.04469	1.6
87.10045	1.6
91.05788	2.4
97.02894	28.5
99.04453	40.1
102.05533	1.3
103.03943	91.0
105.07032	3.2
109.02871	15.7
115.03915	1.1
116.07091	1.1
127.03918	100.0
128.04221	2.0
129.10234	1.7
132.08083	1.6
141.10172	1.4
145.04961	69.0
146.05249	1.4
159.09187	4.2
160.07579	8.8
163.06021	51.1
164.06459	1.4
167.05547	1.2
169.04948	1.4
170.06061	1.3
183.11288	1.9
187.06041	4.9
199.06007	1.0
201.12344	2.9
202.08626	13.5
205.07077	3.9
219.11322	6.3
253.99867	0.9
271.08124	7.8
289.09198	5.6
296.14090	1.0
307.10233	8.6
354.90530	0.9
360.02530	1.2
446.26483	1.0
447.15259	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01862	3.6
55.05508	5.9
56.05015	3.7
57.03448	2.4
58.06592	3.4
67.05495	5.3
69.03436	6.2
69.07059	3.5
70.06592	20.6
71.05001	4.1
72.08160	29.6
73.04753	8.8
74.06093	4.4
79.05492	8.1
81.03421	9.3
81.07060	5.4
84.04495	6.2
84.08138	16.7
85.02907	28.6
86.09713	44.5
87.10064	8.2
90.04108	2.4
91.05403	1.9
91.05820	22.1
93.07019	3.8
95.05015	3.1
95.08599	7.2
96.08146	2.6
97.02890	11.5
97.92898	2.3
98.06034	2.5
98.09649	2.4
99.04446	20.2
103.03946	33.6
103.05459	2.6
105.07034	100.0
106.07353	5.9
107.08574	2.7
109.02885	8.7
109.06537	3.6
109.10172	2.6
110.07201	3.8
112.08726	3.1
115.08689	4.4
119.08566	5.2
120.08102	3.7
121.10159	2.5
127.03918	48.4
129.10245	9.4
130.06570	3.4
132.08112	3.3
145.04961	24.4
147.08064	3.2
149.04547	2.3
151.07608	2.3
159.09212	6.6
160.07593	7.1
163.03981	2.7
163.06036	20.7
167.05565	8.3
183.11382	4.3
184.92258	2.6
201.12360	3.5
202.08670	11.3
219.11212	5.6
259.20480	2.7
266.21313	2.9
267.11285	2.9
284.22037	4.2
285.07669	2.9
299.14084	4.4
307.10178	3.4
360.02814	13.3
361.02762	3.4
415.34464	2.7
446.16309	3.5
446.21625	5.2
446.27139	8.3
447.15530	3.1
447.22342	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	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
54.73402	0.7
55.01864	0.9
55.05497	1.2
55.46006	0.6
56.05042	0.9
57.03430	2.6
61.02917	2.5
69.03430	13.1
69.77698	1.9
69.78089	1.4
70.06586	2.9
71.04995	5.2
72.08148	6.0
73.02911	3.4
73.04755	2.0
74.10016	0.7
78.57931	0.6
81.03419	14.3
81.07061	1.1
84.04508	2.2
84.08137	2.7
85.02905	75.3
86.09710	9.9
87.10021	1.6
91.03957	1.2
91.05788	2.6
92.19132	0.7
95.08624	1.2
97.02893	24.7
98.03240	0.8
99.04459	46.8
100.04802	1.0
102.05546	1.0
103.03944	98.5
104.04289	1.5
105.07017	4.1
109.02880	16.0
127.03918	100.0
128.04242	2.5
129.10260	1.4
130.06554	1.6
132.08076	0.9
138.09114	0.8
142.06557	0.9
143.07381	0.8
145.04959	66.2
146.05269	1.7
156.10152	1.0
159.09189	2.6
160.07568	10.3
163.06021	50.2
164.06412	1.0
169.04997	1.1
173.12845	1.2
174.13155	0.9
183.11284	1.3
187.06027	6.0
201.12508	1.8
202.08635	11.7
205.07138	3.8
219.11292	4.5
245.13040	0.8
253.07033	1.0
269.32932	0.8
270.46924	0.8
271.08121	5.9
289.09204	6.0
307.10257	7.4
321.17703	0.8
360.03091	1.6
446.26260	1.0
463.30832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.2
56.05033	3.0
58.06603	6.5
60.04524	12.4
69.07068	1.2
70.02985	0.9
70.06599	9.9
70.47412	1.6
71.06927	1.1
72.08157	54.7
73.04754	2.1
74.06079	1.6
82.01591	0.7
84.04508	33.9
84.08154	6.1
86.09708	100.0
87.05589	12.3
87.10031	1.6
89.72531	0.6
91.05801	1.9
96.08139	1.6
101.07131	5.2
102.05560	2.0
114.09168	12.7
116.07162	1.1
117.43985	0.7
129.06610	0.8
129.10255	5.7
130.05006	58.2
131.05382	1.2
131.11830	2.2
136.07616	1.2
140.99409	0.7
141.10228	0.8
147.07649	82.4
148.06096	0.7
148.08031	1.4
159.11292	61.4
160.11626	1.2
167.05569	0.9
173.12897	2.6
183.02853	0.7
183.11407	1.0
187.10783	35.7
188.11140	0.7
201.12392	1.8
215.13913	1.4
217.11887	2.0
218.12105	2.0
225.12384	0.7
242.15051	2.6
243.13420	6.8
246.14705	0.7
247.13037	1.0
255.17081	2.6
260.16061	69.2
261.16333	2.0
271.87946	0.6
282.17844	0.7
283.42514	0.7
284.18509	1.4
300.19177	9.0
343.99802	0.7
359.02963	0.8
360.03027	1.8
431.77100	0.8
446.24557	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	446.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77315	0.8
55.05514	9.3
56.05033	8.3
58.06603	59.1
60.04529	2.9
64.84757	0.9
69.07061	1.4
69.65192	3.7
69.65611	1.6
70.06213	1.2
70.06593	22.1
71.06940	1.8
72.08157	100.0
73.04754	2.5
73.05289	0.9
73.08503	2.4
74.06082	36.8
79.05484	1.2
83.06117	3.3
84.04514	17.0
84.08144	12.9
86.09708	28.2
87.05617	1.3
87.10011	1.7
87.49798	0.9
88.03982	1.7
88.07639	1.3
91.05810	3.0
96.04485	2.5
96.08181	1.0
98.06055	1.3
98.09676	4.7
100.07604	1.0
101.07146	11.8
102.05523	2.8
103.05501	1.2
110.07152	1.4
110.09688	3.1
112.08727	1.4
112.11245	1.0
113.07143	6.4
113.30651	1.0
115.08726	1.5
116.07161	1.3
118.08651	5.4
126.69024	0.9
127.12301	3.5
128.10738	3.3
129.06584	8.9
129.10240	13.3
130.05002	2.5
131.04909	6.0
132.10136	0.8
133.06064	2.1
138.09175	1.8
141.06586	6.9
141.10236	2.4
147.07675	3.7
151.08708	1.4
152.07108	3.4
155.11801	12.2
155.12947	1.4
157.09749	1.0
159.07706	5.2
163.07607	1.9
166.66956	1.0
169.09810	1.1
171.11365	1.2
171.14943	1.4
173.12868	14.0
181.64339	0.9
183.11322	7.5
184.10823	6.5
185.09251	3.1
186.08784	1.2
186.12410	1.2
187.07162	1.0
187.10799	1.1
191.74377	0.9
196.14604	1.6
197.12947	2.2
199.14429	1.0
201.12343	12.3
202.11911	1.8
212.10320	24.6
212.13795	6.7
213.10655	1.0
214.15419	2.1
217.15498	13.9
218.16029	0.9
219.13535	1.0
224.13959	1.9
228.13536	0.9
229.11845	2.0
230.11353	15.3
240.13461	2.6
242.15079	1.4
243.13454	1.3
246.14467	3.4
257.16086	1.5
258.14615	1.6
261.14392	0.9
272.19672	2.0
283.17676	25.5
284.18573	7.8
285.15726	1.1
300.19250	4.9
301.18716	7.7
311.17145	25.7
312.17389	1.0
318.20404	1.2
329.18256	6.6
357.21301	1.8
359.03064	1.1
360.02930	1.7
385.96402	0.9
428.25165	4.3
446.10846	1.5
446.23645	23.2
446.29462	3.2
447.24240	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	446.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.8
67.05482	6.6
69.03419	5.1
69.07088	5.6
70.06614	5.3
70.69547	4.9
71.29758	5.4
72.08156	5.5
79.05473	5.4
81.07053	24.2
81.26697	4.7
91.05811	15.3
93.07059	8.0
105.06991	5.7
107.08591	10.2
109.06479	8.1
111.04440	15.4
119.08575	42.9
133.10133	6.6
135.08076	16.6
135.11728	5.3
137.05975	88.3
147.11763	5.5
149.02348	98.4
149.03474	7.9
155.22720	4.9
163.11163	6.3
193.04964	85.3
194.05191	6.1
203.17960	7.7
207.04501	5.3
231.17371	8.6
237.07617	15.7
269.04538	5.0
277.17996	66.8
295.19012	16.9
341.06525	16.7
351.21677	99.7
355.08948	5.1
359.07590	5.9
360.02841	10.8
383.24292	30.0
385.09027	34.1
401.06049	4.8
429.11829	100.0
430.12573	8.0
435.02863	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	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80602	1.6
56.96566	51.5
60.04526	2.5
64.58373	1.6
69.63721	6.6
70.06588	4.0
71.08636	1.8
72.08160	7.4
73.04758	11.9
74.97597	2.3
75.04468	1.7
84.04548	2.4
84.08131	3.5
86.09719	7.9
91.05794	25.5
92.05740	2.6
93.05480	5.7
97.99226	1.7
121.09393	2.1
129.10248	2.4
131.71191	2.1
132.08113	2.6
149.02379	4.7
149.04489	2.0
167.03781	1.8
167.05595	8.2
169.05222	3.9
174.02261	26.6
188.03903	3.1
192.03322	62.7
192.05020	4.4
204.03499	2.5
206.04878	12.6
207.01993	3.5
208.02922	3.0
210.04384	12.9
210.06119	2.4
215.04936	21.3
217.06514	10.0
220.02861	8.0
222.04428	7.5
224.05962	5.1
225.04404	2.9
226.04231	2.1
227.04173	1.9
229.02882	5.0
231.04485	4.3
233.05907	17.8
235.07483	8.5
236.02356	3.0
238.03900	3.3
240.05341	3.7
243.04305	9.4
247.03941	7.2
249.05472	2.0
261.05478	100.0
262.05750	3.3
271.06015	2.1
279.06522	88.9
280.06970	3.1
284.07050	2.8
307.27417	2.0
316.06125	11.3
334.07114	2.8
344.99521	2.2
359.02847	5.3
361.02792	18.4
386.11981	3.0
402.11313	19.2
430.10782	25.8
447.13419	33.9
448.13080	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	447.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01334	4.6
57.03433	10.6
57.07074	29.8
63.42098	3.7
67.05495	8.1
69.07063	6.1
71.08631	16.1
71.29929	4.2
73.04759	5.4
81.07055	12.1
82.27853	4.5
83.08609	5.7
85.10191	10.0
91.05793	12.9
94.78788	4.7
95.08621	14.6
96.37776	3.7
109.10182	5.6
125.38467	3.6
127.65481	3.5
131.44760	3.7
134.98192	83.9
139.24405	4.5
183.24300	4.1
202.49336	4.2
210.14970	4.1
218.81551	4.8
271.06018	13.2
313.27350	47.4
361.02466	5.0
447.24832	100.0
448.24829	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2482
Annotation	MC-207,110
Peak:m/z	Relative Intensity
55.05497	1.2
57.03444	1.4
57.07077	10.5
57.56744	0.6
67.05500	2.0
69.07072	1.9
71.08632	6.4
81.07062	3.0
83.08620	2.0
84.70393	0.7
85.10171	3.7
94.07364	0.7
95.08619	3.4
97.10165	1.1
98.23350	2.9
109.10180	2.2
113.68439	0.8
134.98187	26.0
149.02272	0.9
209.01884	3.9
245.95032	0.7
271.06018	2.8
313.27325	16.5
314.27542	0.8
335.25540	0.8
353.26566	2.5
354.27042	0.9
415.22098	2.6
429.23663	4.3
447.24820	100.0
448.25269	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	447.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74534	1.1
53.03954	2.3
55.01638	1.5
55.01878	19.1
55.05511	46.1
57.03439	56.2
57.07075	15.0
62.33174	1.1
67.05506	13.4
69.07069	44.1
70.37709	2.5
71.04975	1.2
71.08631	10.0
71.32507	1.0
79.05478	8.0
81.07057	14.2
83.04948	1.3
83.08621	37.7
83.09119	2.0
85.10170	2.9
91.05483	1.5
93.07030	8.9
95.08618	12.2
97.06527	4.2
97.10175	21.8
98.98467	88.1
104.91994	0.9
105.07040	1.1
107.08612	5.9
109.10151	3.7
111.08095	1.9
111.11743	6.8
113.00011	1.7
115.35809	1.0
116.99515	1.6
121.10131	10.3
123.11723	2.4
124.99995	1.0
125.09608	1.2
125.13230	1.3
129.05467	2.9
135.11745	6.5
135.24495	0.9
135.33130	0.9
136.99994	97.4
137.13306	2.5
139.11162	1.2
143.54895	1.0
149.13293	2.4
155.01036	66.4
163.36035	1.0
169.02573	1.4
193.02611	17.5
211.03677	13.8
237.22136	17.4
265.04852	2.0
281.12137	1.0
293.24786	2.0
311.25793	70.6
312.26132	3.5
341.33459	1.2
447.25058	100.0
448.25461	6.5
473.61819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3468
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
52.28801	0.9
53.03943	1.5
55.05510	19.9
57.07079	11.5
65.03941	1.1
67.01857	1.5
67.05499	6.8
69.03431	1.5
69.07063	33.8
69.14974	7.6
69.15393	1.7
71.08624	4.8
79.05466	2.1
81.07053	17.0
83.04971	3.4
83.08617	16.9
85.10183	1.7
91.05466	3.4
93.07040	10.4
95.04961	1.5
95.08598	11.8
97.10163	10.6
98.23370	2.1
105.07019	2.8
107.08590	1.8
109.06497	4.3
109.10173	7.0
110.07286	1.2
111.11708	5.4
117.07023	1.4
119.04905	1.3
119.08575	2.8
121.06475	2.8
121.10148	1.3
122.79372	1.1
123.08033	3.4
123.11727	3.5
125.13269	2.8
131.08545	2.1
133.06508	1.5
133.10085	1.2
135.08014	2.7
135.11644	2.1
137.05968	14.0
137.13240	3.2
138.06772	5.2
139.07558	4.6
141.05476	2.5
143.08525	1.8
147.08054	2.9
149.05942	4.1
149.13229	1.2
151.07529	28.3
159.08023	3.0
159.11656	1.7
161.05945	3.5
161.09595	2.1
163.07527	1.7
165.05450	9.9
165.09085	5.9
165.16368	1.4
166.06259	9.2
167.07036	100.0
168.07361	1.6
171.11722	1.4
173.09619	2.1
175.07552	3.8
177.09055	3.7
179.07036	4.0
179.10626	2.2
181.08549	5.2
187.11165	2.2
189.09027	6.1
190.50732	1.1
191.07001	4.3
191.10637	2.0
192.07712	1.8
193.08562	6.9
203.10693	4.4
205.08600	8.8
205.12210	1.8
207.10150	13.5
215.10725	1.9
217.12216	2.4
219.10172	4.0
221.11719	4.1
229.12259	1.0
233.11754	2.1
235.13297	1.8
247.13316	1.4
270.61606	1.2
275.16080	1.1
277.17990	1.5
291.19431	1.9
347.25839	2.5
359.26013	1.4
401.33838	1.5
411.32446	4.2
429.33609	14.5
430.34116	4.5
447.34555	7.7
448.35019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.6
57.07080	33.2
67.05492	0.8
69.07075	3.8
71.08640	30.6
71.20280	1.1
72.09005	0.7
73.06544	3.2
77.22544	0.6
83.08624	3.4
84.73143	0.7
85.09665	1.0
85.10188	19.8
87.04486	1.6
89.06039	100.0
90.06401	1.5
97.10192	4.5
99.11717	1.9
107.07079	7.6
111.11729	2.0
113.13328	1.9
117.09160	0.8
127.14877	1.2
130.08665	2.0
133.08618	31.8
134.09036	0.7
137.99829	0.9
141.16402	1.0
151.09641	4.3
177.11238	5.1
177.12611	0.8
195.12291	17.8
196.12569	0.8
302.04373	0.7
361.02573	0.8
447.40707	1.5
468.41147	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54639	3.9
57.03439	11.3
70.06590	40.6
72.08161	9.2
75.04473	10.4
84.04545	5.6
84.08142	17.0
85.02909	9.8
86.09699	16.0
91.05814	9.9
93.43414	3.8
100.92377	4.5
117.03401	9.6
119.04955	4.2
120.08138	5.1
129.10274	10.8
136.07603	5.8
145.02827	41.5
149.02289	11.0
159.09157	6.8
163.03894	5.0
177.05470	100.0
180.04178	21.1
195.06496	68.2
251.09207	11.1
269.10208	41.1
361.02753	5.2
376.42526	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	448.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	27.7
70.06597	92.2
70.19270	88.3
72.10361	23.8
80.44703	26.2
83.04995	32.0
84.08150	48.2
91.05846	48.9
93.83549	24.3
96.68272	23.9
97.06594	39.5
98.23203	31.3
100.11277	50.8
119.62040	28.8
120.35555	26.3
143.07047	40.3
145.10187	34.5
146.25723	25.1
163.11218	100.0
173.09589	43.4
210.14978	39.1
233.11765	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.80306	2.2
55.01863	7.3
55.05504	5.8
65.03980	2.8
67.05506	11.9
69.03433	13.5
69.07068	12.6
69.48167	12.6
70.06594	24.8
71.05004	3.8
71.06924	3.3
72.08138	6.0
79.05498	31.1
81.03405	3.6
81.07050	27.6
82.07384	2.4
83.04977	26.5
84.04501	5.1
84.08139	23.2
85.02895	11.0
85.06561	2.5
86.09703	20.6
91.05482	18.5
93.07049	43.2
95.04968	18.1
95.08618	14.4
97.02887	8.7
97.06531	28.7
99.04453	7.9
103.05469	3.2
105.06371	4.4
105.07031	50.9
107.04965	15.2
107.08602	28.0
108.52918	2.5
109.06513	25.2
111.04439	3.5
115.05359	3.0
117.07052	14.9
118.06860	3.1
119.04933	15.3
119.08581	29.9
120.08106	45.5
121.06517	38.5
121.10120	4.2
125.05989	35.8
127.07589	2.7
128.06264	3.2
129.07037	3.2
129.10252	13.2
130.07767	3.7
130.08632	8.5
131.08583	13.4
132.08066	4.4
133.06474	9.8
133.10136	6.9
135.08060	13.3
135.11694	13.9
137.05984	20.3
139.07535	8.4
141.06955	4.9
143.07040	23.0
143.08557	5.4
145.06500	6.2
145.10118	57.2
146.10464	4.2
147.11510	13.7
154.07756	4.2
155.07076	3.2
155.08331	3.5
157.08612	6.2
157.10143	3.4
158.07228	8.2
159.08035	7.3
159.09241	5.6
159.11697	32.9
161.13264	3.2
163.11172	86.4
164.11513	3.6
169.10112	12.5
171.11636	4.0
172.08813	4.6
173.09612	54.9
174.09966	2.9
177.12785	7.6
179.08549	5.7
181.12218	19.0
182.07355	3.7
187.11172	46.8
187.12749	3.9
188.11325	3.6
189.12733	6.9
191.10643	27.0
197.09586	17.1
205.12230	31.3
209.11690	8.9
215.10661	69.3
216.11015	3.2
227.12764	19.4
233.09410	5.6
233.11726	100.0
234.12109	7.1
251.12778	65.3
269.13742	5.5
271.12891	2.4
287.05609	3.5
294.17990	6.6
303.23187	2.5
449.28046	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87115	0.2
56.05027	1.2
58.06587	0.7
66.23828	0.2
67.05476	0.2
68.05015	0.4
69.03438	0.3
69.07059	1.0
69.98668	0.6
70.06599	2.3
72.07803	0.2
72.08144	1.3
79.05487	0.8
81.03448	0.2
81.07043	0.8
82.06587	2.0
84.04533	0.2
84.08143	1.4
85.02908	0.5
86.09704	0.6
88.07620	0.2
91.05460	0.4
93.07037	0.7
94.06553	0.3
95.07344	0.9
97.02855	0.2
97.06538	3.6
98.06020	0.2
108.08113	2.3
110.09683	18.1
111.09989	0.4
114.09208	0.3
120.08089	0.4
125.06001	0.3
126.12745	0.3
128.10716	100.0
129.10262	0.4
129.11064	2.7
148.18245	0.2
265.84875	0.2
268.19113	1.4
286.20126	23.0
287.20343	1.3
290.15927	0.5
323.69141	0.2
334.79126	0.2
430.24344	0.3
448.25424	28.6
449.25739	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05032	2.1
57.03425	0.8
57.05816	0.6
58.06593	1.0
60.04522	0.3
61.01162	0.7
61.02925	0.5
67.05499	0.9
69.03423	1.3
69.07069	0.8
70.06593	17.5
70.13311	1.1
71.05003	0.4
71.06932	0.7
72.08155	100.0
72.64350	0.3
73.02918	0.3
73.08485	2.4
74.06081	0.8
79.05499	0.7
81.03389	0.4
81.07058	0.8
82.06583	0.5
83.04972	0.4
84.04508	1.4
84.08145	3.7
85.02905	1.3
86.09708	6.1
87.05579	0.5
87.10054	0.8
89.03917	0.5
91.05481	0.6
93.07045	0.9
95.04945	0.3
95.08609	1.0
96.08132	0.6
97.02898	0.7
100.07632	0.6
101.06015	0.5
101.07147	0.5
104.05331	0.9
105.07008	0.6
107.08576	0.5
108.08140	0.4
109.02866	0.4
110.07196	0.5
110.09698	0.7
111.04469	0.9
114.09185	0.7
115.25773	0.3
116.07066	1.4
117.03378	1.0
117.07022	0.7
119.08604	0.9
120.08114	3.2
121.06492	0.4
121.79700	0.3
124.11251	2.5
127.03911	0.3
127.08662	0.8
128.10725	0.4
129.10257	2.1
130.04991	0.3
130.06548	0.4
131.08649	0.3
132.08078	0.4
133.10139	0.4
136.07591	0.8
141.10242	0.8
142.12236	0.5
143.07065	0.3
145.02856	3.1
149.05931	0.4
154.08653	0.3
155.08156	0.6
159.09171	0.7
159.11655	0.3
169.09636	0.5
170.09244	0.3
173.09241	1.1
177.05470	6.0
177.10234	0.3
186.08855	0.3
187.14417	0.6
188.14821	0.3
195.06482	1.8
201.12379	0.3
205.12259	0.4
206.12396	0.3
215.14012	0.5
216.14252	0.4
224.20195	0.4
233.14999	0.5
237.59467	0.3
251.09242	1.0
256.76694	0.3
268.19055	4.5
269.10126	1.4
269.19467	0.4
286.20120	33.5
287.20377	2.1
345.19193	0.4
366.68256	0.3
430.24289	0.8
439.54218	0.3
448.25400	43.5
449.25629	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	448.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28579	0.3
55.05509	0.6
56.05037	3.7
57.03436	1.3
57.05811	0.8
58.06603	1.3
58.79063	0.3
60.04523	0.4
61.01151	1.0
61.02931	0.4
66.46191	0.3
67.05490	1.0
69.03416	1.3
69.07062	1.2
69.99707	1.1
70.00127	0.6
70.06590	17.0
71.06936	0.4
72.08154	100.0
72.13775	0.3
73.08482	1.9
74.06062	0.8
79.05489	0.4
81.03408	0.7
81.07054	1.3
82.06608	0.4
83.06070	0.4
83.71678	0.3
84.04503	1.6
84.08147	3.6
85.00838	0.4
85.02882	1.8
85.32058	0.3
85.51630	0.4
86.06076	0.8
86.09706	10.0
87.04463	0.3
87.05601	0.7
87.10051	1.3
89.03922	0.4
91.05487	0.8
93.07041	1.0
95.08611	1.1
96.08120	0.7
97.02905	1.1
97.06538	0.7
98.06058	0.4
100.07632	0.5
101.06062	0.4
101.07122	0.5
102.05520	0.8
104.05326	3.3
105.07011	0.6
105.68091	0.3
110.07166	0.4
110.09673	0.7
111.04433	0.6
111.08037	0.4
113.07122	0.5
114.09177	0.9
114.80347	0.3
116.07110	3.1
117.03391	0.7
119.04955	0.4
119.08595	0.7
120.08116	4.0
123.08054	0.4
124.11243	2.4
127.08678	0.4
129.10225	1.8
130.04997	0.6
130.06546	0.5
131.08600	0.5
132.08095	0.4
136.07565	2.0
141.10226	0.4
142.12311	1.1
143.11829	0.5
144.06638	0.3
145.02852	3.8
147.07695	0.9
149.06012	0.6
159.09178	0.9
159.11671	0.5
162.47260	0.4
169.09763	0.4
173.09227	1.4
177.05479	7.0
177.12724	0.4
181.06052	0.3
183.11496	0.4
185.12848	0.4
186.08905	0.5
187.11052	0.5
187.14392	0.6
195.06477	1.9
200.90160	0.4
201.06903	0.6
201.12466	0.4
203.13872	0.4
205.12201	0.5
211.97478	0.3
213.12346	0.6
215.13881	0.8
217.13332	0.5
219.54404	0.3
224.19975	0.4
233.15041	0.5
246.09113	2.3
250.33786	0.3
251.09132	1.1
268.19064	4.0
268.46457	0.3
269.10190	1.6
286.20114	34.4
287.20490	1.9
342.15585	0.4
362.02252	0.4
377.18167	0.4
430.24387	0.8
448.25415	43.2
449.25656	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	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91748	0.6
53.03933	1.8
54.39785	0.7
55.05504	2.3
56.05034	5.4
57.03424	1.9
57.05795	0.9
58.06361	0.6
58.06606	10.8
59.06934	0.7
60.04509	1.6
61.01134	1.0
61.02935	3.2
62.75105	0.7
67.05514	1.1
68.05024	1.8
69.03431	9.6
69.07066	3.4
70.06201	1.2
70.06593	21.0
70.95680	1.0
71.04986	1.7
72.08156	25.9
73.02908	2.0
73.08487	3.2
73.49744	0.7
74.06069	2.9
75.06451	0.6
79.05490	2.2
81.03416	3.6
81.07063	1.8
82.06570	3.9
83.06091	0.8
84.04501	6.0
84.08140	11.3
85.02901	13.6
86.09705	19.6
87.04463	3.1
87.05593	0.9
87.10039	3.6
91.03968	1.4
91.05450	1.6
93.07027	2.4
94.06564	1.0
95.07337	2.3
96.08131	5.0
97.02898	5.6
97.06528	3.8
98.06086	0.7
99.04452	1.9
101.07138	1.9
102.05538	2.6
104.05331	1.9
104.06982	0.5
106.06557	10.5
107.61106	0.5
108.08115	4.2
109.02880	2.2
110.07154	2.5
110.09679	44.8
111.09974	1.2
112.08677	0.6
112.11285	0.7
112.19554	0.7
113.07088	0.7
114.09176	14.1
115.03957	0.8
115.08688	0.8
116.07072	1.2
118.06535	1.3
120.08080	4.8
124.07601	0.8
127.03886	3.3
127.08698	0.9
128.10715	98.6
129.06598	0.9
129.10231	5.0
129.11060	2.0
130.05023	1.0
130.06483	1.4
136.07564	2.8
140.10635	1.0
144.06573	1.5
145.04980	1.4
148.05988	0.9
154.08632	6.7
154.09804	1.0
159.09166	0.8
159.11275	0.8
161.09265	1.4
170.11771	2.2
172.13136	0.6
173.09280	0.7
173.12885	2.1
174.13309	1.2
177.05388	0.9
182.11818	1.1
187.10805	0.7
187.14444	1.2
188.11295	0.9
197.12856	0.8
200.12717	3.2
201.12309	1.1
202.12579	1.3
203.08574	0.8
203.10258	3.2
205.11880	0.7
215.13866	1.6
216.14268	1.0
231.09750	0.9
232.09943	0.7
233.11307	0.7
243.13324	1.1
244.13731	1.1
247.12871	1.1
248.13126	0.8
250.18127	0.8
268.19080	4.6
272.15054	2.0
286.20129	19.4
287.20432	1.2
290.15967	78.3
291.13324	0.8
291.16214	3.6
362.02844	0.7
430.24783	1.3
448.25397	100.0
449.25739	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	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.05503	1.2
56.05035	2.0
57.03424	0.8
57.05819	0.4
58.06601	2.2
60.04527	0.6
61.01149	0.4
67.05489	0.6
68.05025	0.4
69.03430	1.1
69.07058	0.5
70.02955	0.5
70.06591	18.6
71.05005	0.3
71.06933	0.5
71.29979	0.5
72.08154	100.0
73.08484	2.4
74.06072	1.9
79.05492	0.7
80.68834	0.3
81.03432	0.6
81.07050	1.6
83.04980	0.5
83.06097	0.7
84.04499	2.2
84.08143	4.0
85.02916	1.1
86.06056	0.8
86.09705	9.4
87.05600	1.1
87.10035	1.5
88.03989	0.7
91.05431	1.6
93.07051	0.8
95.04980	0.4
95.08595	1.1
96.08140	1.3
97.02877	0.5
100.07611	0.4
101.07141	0.4
102.05547	1.2
104.05337	1.0
105.07035	0.5
108.08070	0.3
110.07167	1.0
110.09667	0.6
111.04487	0.6
113.07156	0.4
114.09158	2.8
115.08682	0.6
116.07098	7.1
119.04929	0.7
119.08626	0.5
120.08102	2.4
121.06542	0.5
123.04450	0.5
124.07587	0.5
124.11211	2.2
127.08687	0.8
128.10739	0.6
129.10222	2.0
130.05000	0.9
130.06523	0.5
131.08522	0.4
136.07570	9.3
137.68336	0.3
141.10271	0.4
143.11841	1.0
144.06567	0.4
147.07626	0.8
148.06059	0.4
154.08585	1.0
156.24092	0.4
159.07793	0.4
159.09126	0.8
159.11656	0.6
171.11372	1.2
173.09209	1.0
173.12950	0.5
177.05482	1.5
185.12891	0.3
186.08969	0.4
187.07234	0.5
187.11026	0.4
188.07104	0.7
200.90045	0.4
201.12376	0.7
203.10249	0.7
204.09872	0.5
215.13899	0.5
216.14220	0.4
217.13409	0.5
224.20052	0.5
230.12129	0.4
233.14940	0.4
234.15359	0.7
245.12955	0.4
254.12608	0.5
264.16629	0.3
268.19080	4.4
271.15216	0.5
272.34906	0.3
279.13425	2.0
283.14026	0.7
286.20114	23.3
287.20453	1.4
301.14972	0.8
302.14825	0.4
316.13705	0.4
334.17728	0.7
385.19415	0.6
425.32321	0.3
430.24585	1.7
433.13507	0.4
448.25427	48.2
449.15054	0.5
449.25684	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	448.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
56.05036	2.4
57.03439	1.7
58.06606	4.3
60.04497	0.7
61.02891	0.5
67.05506	2.4
69.03411	1.8
69.07074	2.3
70.06592	10.0
70.88526	0.4
70.88875	0.5
71.04965	0.4
71.06905	0.3
72.08159	4.8
73.02880	0.4
74.00267	0.3
79.05442	0.8
80.17672	0.3
81.07055	4.0
83.04930	0.6
83.08584	1.3
84.04448	0.6
84.08144	11.4
85.02921	1.9
85.06530	0.4
86.09225	0.5
86.09701	5.8
87.04416	0.3
87.05542	0.4
87.10000	1.0
88.07609	0.4
88.43378	0.4
88.43881	0.3
91.05418	0.7
93.06992	0.9
95.08609	3.8
96.08082	0.3
97.02829	1.3
97.06506	0.4
97.10181	0.3
97.48413	0.3
98.06022	0.3
98.09644	0.9
99.04427	0.4
100.56294	0.3
105.07013	0.7
105.66469	0.3
107.08540	0.6
109.10158	1.8
110.09708	0.4
112.11204	1.2
116.07024	0.3
118.06870	1.6
119.08567	0.6
120.08086	0.8
121.10103	1.1
125.09637	0.4
127.03872	0.7
128.10677	0.4
129.10210	1.8
130.06462	0.5
132.08153	0.3
133.10080	0.4
135.11613	0.4
136.07538	0.4
136.31476	0.3
147.04408	1.5
147.11617	1.0
159.09166	1.0
159.11330	0.4
173.12825	1.2
174.13107	0.5
186.12579	0.4
196.16862	0.4
200.61620	0.3
201.12396	0.6
202.12610	0.7
203.10936	0.3
221.09169	0.4
229.85211	0.3
247.12939	0.4
248.13234	0.7
250.21690	3.6
268.22705	33.7
269.23041	2.0
269.25424	0.3
276.29895	0.3
286.23755	100.0
287.24097	5.5
298.38885	0.3
299.05652	0.4
310.23676	1.0
373.18988	0.4
393.41098	0.3
406.34424	0.3
412.26410	0.3
430.28061	1.4
448.29080	53.6
449.29367	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
57.07065	4.2
67.05497	3.2
69.07067	4.6
70.07419	1.2
70.80039	1.5
70.80353	1.4
71.08631	2.5
78.99464	1.2
81.07066	1.6
83.04974	1.9
83.08620	2.2
91.05483	2.0
93.07050	3.7
95.04955	3.6
95.08578	1.4
97.10168	1.8
107.08593	2.8
109.10151	5.9
110.07278	3.0
111.11719	2.2
119.08590	2.9
121.06503	16.5
122.07315	2.0
123.04426	1.7
135.08022	1.6
136.08841	18.7
137.05971	1.3
137.09628	16.4
138.06772	15.8
139.07538	1.8
149.02348	2.2
149.06030	1.6
149.09639	1.6
151.07538	1.5
164.08342	38.5
165.09114	100.0
166.06262	35.9
166.09537	4.4
167.07043	14.0
168.07349	1.1
177.09177	2.1
181.08669	2.0
191.10500	1.3
196.57051	1.2
205.12257	8.0
206.12926	1.2
430.38629	71.3
431.39120	7.3
448.34543	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	449.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.8
55.01905	0.8
55.05519	5.5
57.06796	1.2
57.07084	22.1
65.03945	7.4
69.53128	3.9
70.21257	0.9
80.94846	1.6
81.03416	1.3
83.04990	60.5
85.15737	0.8
91.05475	4.5
98.98482	6.5
105.07060	1.9
107.04981	1.1
115.05433	0.8
119.08662	0.9
128.92918	0.7
129.07007	1.5
131.08504	0.9
133.00519	1.3
141.07002	3.0
147.11710	3.4
151.01604	7.4
158.57768	0.8
159.08086	2.7
163.01553	5.0
167.30568	0.8
169.07651	1.4
175.01582	8.0
181.02652	1.7
187.01563	1.6
190.89417	1.2
227.04686	3.7
239.04692	1.8
241.34111	0.8
260.99344	3.4
284.43823	1.2
327.77945	0.9
337.02386	59.9
338.02655	2.3
393.08646	100.0
394.09058	5.6
411.09479	1.0
434.11273	1.9
449.14984	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	449.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08213	35.5
67.05498	53.9
69.38515	100.0
69.38902	84.0
73.16122	30.7
75.97752	35.7
100.06194	34.0
112.99978	39.4
137.37424	35.3
162.28870	33.8
164.31497	34.7
172.95285	54.8
336.05414	38.6
354.88416	43.3
375.54953	44.7
449.20248	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53389	0.4
55.05500	0.6
56.05037	4.5
56.96559	0.8
57.03427	0.6
58.06588	2.3
60.04520	3.7
66.93056	0.5
68.05025	0.6
69.03428	0.7
69.07056	1.6
70.02950	0.6
70.06594	7.4
71.28710	0.5
72.08157	4.0
74.06078	7.8
78.91275	0.4
82.06574	0.5
82.87746	0.5
83.06119	0.4
84.04501	19.2
84.08144	4.8
85.02912	2.6
85.08478	0.5
86.09703	100.0
87.05594	0.8
87.10044	1.6
88.03961	0.6
94.06577	0.6
95.04960	2.6
95.85603	0.4
97.02893	0.5
98.02464	0.5
98.06067	0.7
98.09717	0.6
98.86465	0.5
98.97606	0.7
100.56585	0.4
101.07127	2.1
102.05539	10.4
102.09174	0.7
106.05016	2.9
110.07152	2.4
110.09665	0.5
112.03979	1.6
112.07597	6.0
112.08740	0.9
113.07127	0.7
116.03477	0.6
116.07100	1.3
120.08123	1.2
122.06036	1.6
125.07131	0.6
126.05514	2.5
126.09211	0.6
127.03834	0.5
128.10703	2.4
129.10239	3.4
129.11067	1.0
130.04951	0.7
130.08626	1.4
134.06978	0.4
136.07596	0.6
139.08667	1.3
140.07063	20.5
141.13887	0.7
142.12236	0.7
143.08192	0.6
143.11751	1.1
144.06561	0.5
150.05515	4.4
154.04976	1.1
158.08113	4.7
167.06981	0.7
167.08186	5.8
168.06549	0.8
169.13368	0.9
171.00836	0.5
171.07675	1.3
185.09224	5.7
187.14389	5.1
189.08701	3.0
195.07617	7.3
197.12836	1.2
201.12338	3.7
203.10249	6.2
213.08705	14.0
213.12247	0.7
214.09111	0.5
215.13948	2.6
217.08221	4.2
219.13377	14.5
220.13690	0.6
231.09744	6.6
233.14938	2.4
261.14645	0.6
270.17160	0.9
270.20486	0.5
273.14594	0.5
274.56149	0.5
280.16537	4.1
284.16183	0.5
287.20764	0.5
288.07349	0.8
288.18332	0.9
288.21707	2.8
298.17545	1.5
302.10132	0.9
302.17004	0.6
308.16003	4.3
320.18082	0.6
326.17062	6.8
327.17648	0.8
330.16611	0.6
344.17822	0.6
395.19101	0.6
413.20273	2.0
431.21564	0.5
449.16190	11.7
449.26230	2.3
450.16519	0.8
450.22858	1.4
450.27023	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	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	5.8
51.43736	4.6
55.05509	16.5
55.17488	5.0
57.03424	13.2
60.24853	5.7
61.52636	5.5
64.94645	5.2
67.05514	43.9
69.07063	12.1
71.08630	54.4
71.29056	6.2
79.05490	45.5
81.07062	62.3
83.04959	5.3
83.08619	6.6
86.84982	6.9
91.05470	33.5
93.07037	60.9
94.66602	5.2
95.04972	9.9
95.08615	46.5
97.06535	14.0
98.98462	23.3
99.08107	35.0
99.69662	5.3
100.08409	5.2
105.06996	15.5
107.04944	6.3
107.08585	23.3
109.10179	10.5
111.93859	5.2
113.09586	5.9
117.07041	7.4
119.08576	19.5
121.10143	17.7
131.08524	5.9
133.10100	11.3
135.11682	34.8
141.08997	8.2
144.95569	5.0
149.02443	6.1
149.13293	13.1
151.11180	18.2
155.01112	7.1
161.13217	15.1
163.11137	9.0
173.02141	5.2
179.14316	100.0
181.12363	5.9
192.60201	5.7
246.56496	5.8
277.21619	59.6
333.14645	6.8
351.25308	96.1
352.25580	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05518	1.6
56.05031	1.0
57.05807	0.4
58.06595	4.0
60.04517	0.5
61.01146	0.3
67.05501	0.7
69.03441	0.7
69.07067	0.8
69.24355	2.2
70.06593	100.0
71.06583	0.4
71.06915	1.8
72.08157	16.4
73.08488	0.4
73.96157	0.4
74.06062	0.7
79.05479	0.9
81.07066	1.7
82.06586	0.4
84.04520	0.7
84.08135	4.2
85.02911	1.0
86.09708	6.6
87.10061	0.5
91.05484	1.6
92.51271	0.3
93.07044	0.8
95.08605	0.6
96.08130	0.9
98.06065	0.4
103.05481	1.4
105.07066	0.4
107.08601	0.5
110.07153	1.6
110.09692	0.5
114.09203	0.8
115.08730	0.4
116.07092	1.7
119.04971	1.0
120.08106	35.2
121.08457	0.8
124.11311	0.5
128.10687	0.7
129.10268	2.1
136.07553	1.1
141.10225	0.4
147.04478	0.8
158.10028	0.5
159.09039	0.4
161.13232	0.7
162.03569	0.4
169.09782	0.5
175.03955	0.6
185.09224	0.8
193.04976	0.9
203.10269	62.8
204.10596	1.6
219.14981	6.3
234.18486	0.6
247.14395	1.3
252.19632	1.7
261.14471	0.4
270.20660	4.4
276.60809	0.3
287.20203	0.7
288.18488	0.6
288.21698	7.4
312.21671	0.7
330.22452	0.5
336.20361	0.6
411.47110	0.5
414.24933	0.7
432.25949	3.0
449.15753	0.4
449.25961	1.9
450.27032	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15059	3.0
55.05515	21.0
57.03443	29.0
57.07072	18.4
59.69824	2.5
67.05514	36.4
69.07072	27.5
70.66972	2.7
71.08632	9.8
79.05482	10.6
81.07062	43.6
82.34213	3.2
83.08613	13.3
85.10210	5.5
91.05476	9.4
93.07055	12.3
95.08607	34.8
97.06548	4.9
97.10181	4.5
98.23463	6.6
98.98467	21.9
104.90760	2.8
105.07053	3.7
107.08591	4.4
107.62341	2.9
109.10158	14.8
113.00016	100.0
113.88058	2.7
119.08530	6.6
121.10117	5.3
123.11717	5.7
133.10106	4.1
135.11720	3.6
136.93077	4.0
136.99980	21.6
137.13312	3.5
155.01045	22.9
169.02664	26.1
172.95204	7.4
187.03690	7.3
263.23666	4.3
313.27289	12.4
314.27521	3.0
337.27356	90.0
338.27676	8.3
449.20654	4.3
449.26413	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2759
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
50.03187	0.5
52.11253	0.4
53.03938	0.8
53.96773	0.4
55.01868	1.2
55.05503	1.6
56.05031	1.6
57.03437	0.5
61.02943	0.7
67.05515	2.6
69.03432	2.7
69.07054	2.1
69.23203	3.4
70.06593	7.7
71.04993	1.1
72.08154	7.4
79.05502	3.7
80.05828	0.6
81.03416	1.1
81.07064	3.8
82.06576	0.5
82.07432	0.7
83.04964	2.6
84.04511	1.3
84.05315	0.8
84.08144	40.6
85.02894	3.6
85.06546	0.6
85.08485	1.0
86.09708	33.3
87.10020	0.9
88.03999	0.6
91.05470	2.9
93.07047	5.6
94.07374	1.7
95.04964	2.0
95.08609	2.0
96.05290	0.5
96.08936	0.9
97.02890	1.8
97.06534	2.3
98.06847	0.7
99.04458	1.9
101.10778	1.7
102.05560	0.5
103.05456	5.2
105.07035	4.0
106.07365	2.1
107.04935	1.8
107.08588	2.1
108.05270	0.5
108.08887	0.9
109.02869	0.5
109.06520	1.9
109.10129	0.9
110.07123	1.0
111.08099	0.5
115.03925	0.5
115.05536	0.6
116.07090	0.6
117.07014	1.3
119.04942	1.0
119.08567	2.7
120.08105	100.0
121.02844	0.9
121.06512	2.8
121.08459	3.0
121.10136	0.9
122.06821	1.2
125.05988	3.1
126.06359	0.9
127.03905	0.7
127.08765	0.5
128.10721	9.0
129.10240	20.6
129.11218	1.1
130.06534	1.1
130.08643	19.8
131.08646	0.7
132.08057	0.7
132.08942	0.9
133.06500	0.7
134.06853	0.5
135.08051	1.0
135.11681	1.3
136.12050	0.9
137.02319	0.9
137.05977	1.8
138.06325	0.5
139.07573	0.8
140.07988	0.5
143.07037	2.2
145.06444	0.5
145.10066	3.6
146.10446	3.5
147.07886	0.5
147.11278	21.7
148.11961	0.7
153.01819	1.2
155.08069	0.5
156.10211	1.9
157.13399	1.3
159.07819	0.8
159.11722	2.1
160.12038	2.4
163.11198	4.4
164.07106	1.8
164.11571	4.7
169.10194	0.9
170.10606	0.6
171.11366	0.5
173.09634	3.0
174.09975	2.9
177.12785	0.9
181.12204	0.8
182.12616	1.1
183.07683	0.8
185.12874	1.7
187.11197	1.6
188.11531	3.2
191.10645	1.0
192.11028	1.6
197.09637	0.9
198.09935	1.1
201.62816	0.6
205.12241	1.3
206.12634	1.5
213.05562	0.6
215.10683	2.1
216.10988	4.7
227.12837	1.0
228.13208	1.4
233.11667	2.7
234.12077	6.8
251.12804	2.5
252.13127	5.4
265.08679	0.8
273.06659	0.7
276.17078	2.3
277.15582	0.6
285.15897	0.6
287.05493	20.0
288.05804	1.0
294.18118	15.0
303.16931	0.9
329.14624	0.8
381.63834	0.6
404.13504	0.9
431.26880	0.6
432.24188	1.4
449.18311	1.2
449.27597	38.3
450.23145	1.4
450.27985	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	449.3626
Annotation	Numersterol A
Peak:m/z	Relative Intensity
53.03944	2.6
53.26155	1.8
55.01870	3.3
55.05514	24.9
57.07077	51.7
63.54652	2.5
67.05502	20.7
68.99782	2.9
69.03436	3.0
69.07068	45.5
70.81969	4.9
71.08633	33.9
75.90313	2.0
79.05494	9.5
81.07056	34.1
83.01336	2.7
83.04992	2.6
83.08620	27.4
83.24162	2.0
84.80164	1.9
85.02915	2.0
85.10184	22.2
89.22999	1.8
89.71465	2.3
90.33112	2.0
91.05490	12.0
93.07041	15.2
95.04961	5.0
95.08605	42.4
95.99152	1.7
97.06513	4.8
97.10171	18.4
99.04452	46.4
105.07033	23.7
107.04922	3.6
107.08588	11.7
109.06525	16.3
109.10152	19.2
111.04447	17.6
111.08114	2.7
111.11719	11.0
112.49291	1.9
112.77990	1.8
113.06014	20.0
117.07025	3.0
119.08579	15.0
121.06478	4.1
121.10126	9.6
123.08058	8.2
123.11684	5.8
125.05992	67.9
125.09650	3.4
125.13287	3.2
131.08618	3.2
133.10133	8.1
135.04433	6.1
135.08066	6.1
135.11679	2.9
137.05980	12.3
137.09633	7.6
137.13223	3.4
139.07530	5.1
145.10138	2.7
147.08034	4.4
147.11691	6.3
149.05977	4.8
149.13319	5.2
151.03902	7.0
151.07573	13.7
151.14832	3.1
153.05470	12.4
157.10170	2.2
159.11673	3.9
161.09573	4.7
161.13286	7.5
163.07545	24.9
163.11201	2.2
165.05429	3.6
165.09134	7.2
167.07030	2.8
169.04955	8.8
171.06509	2.4
173.09621	2.3
175.11160	5.9
175.14871	5.1
177.09114	6.5
179.10664	6.0
179.18092	2.5
181.08569	2.3
183.06543	4.0
189.12704	4.8
191.10580	4.7
193.12216	4.6
203.10666	2.4
205.12285	2.7
207.10312	3.0
207.13811	3.0
215.14305	3.0
217.12183	10.6
219.13776	2.4
221.15526	2.4
235.13278	4.2
245.18439	2.3
289.21252	1.9
301.28833	9.3
319.29770	9.8
333.31387	4.1
359.29599	3.9
371.33023	3.7
385.34641	5.4
389.34027	14.9
403.35699	100.0
404.36154	7.6
413.34161	17.5
431.35223	77.3
432.35446	7.5
449.30078	4.5
449.36237	73.3
450.36594	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	449.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17400	4.8
55.05504	34.8
57.07085	25.6
67.05505	24.7
69.02229	43.4
69.07066	71.0
71.08638	10.6
75.10825	4.3
76.45876	4.7
79.05497	17.1
80.07495	4.9
81.07066	70.7
83.08633	39.9
84.63014	5.4
85.06528	7.6
89.50823	4.7
91.05482	19.2
93.07041	36.0
95.04970	6.7
95.08611	100.0
95.43301	4.9
97.10177	20.5
105.07034	22.0
107.08592	52.9
108.78622	5.5
109.06538	18.0
109.10154	52.4
111.04443	6.6
111.08115	8.4
111.11726	16.9
119.08572	27.0
121.06532	14.2
121.10174	31.9
123.08079	70.9
123.11703	19.8
124.08464	7.5
125.09666	5.7
131.08598	12.9
133.10136	18.6
135.08063	14.6
135.11719	19.4
137.05977	15.5
137.13283	9.5
139.07558	5.8
145.10112	15.7
147.11745	9.6
149.13264	9.0
151.07599	15.0
151.11223	7.0
151.14810	5.3
155.07039	23.1
157.10153	13.9
159.11713	18.1
161.13313	9.3
163.11238	10.4
165.09059	5.7
169.08676	9.7
171.11723	10.1
173.13252	14.3
175.14862	7.0
179.14377	5.9
181.08612	9.1
191.10684	9.0
193.12320	5.3
205.12328	11.6
217.12196	31.0
219.13766	5.8
226.16200	5.4
293.21024	5.8
309.50211	4.9
353.17334	6.9
385.34583	11.8
403.35812	26.6
405.37387	7.0
413.34198	16.8
431.35114	12.5
449.26086	18.6
449.36078	10.5
464.51370	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	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.6
67.05482	10.6
69.07104	6.3
71.29750	6.8
79.05495	8.8
81.07051	26.1
83.04970	9.8
83.08608	10.0
84.08151	9.1
89.38467	6.8
91.05442	7.4
93.07037	13.1
95.08621	10.6
105.07050	27.5
107.08601	24.0
109.06490	7.5
119.08574	19.6
121.06493	11.5
121.10188	17.3
122.43437	7.1
123.08101	11.6
123.11724	29.5
127.07558	10.4
139.07486	13.1
147.11694	82.2
149.13208	13.2
157.10155	9.8
165.12776	100.0
183.13875	18.2
189.12634	8.0
193.12242	17.5
193.15959	6.6
199.54831	7.6
207.13719	8.8
209.15414	15.9
217.12247	7.7
229.14342	69.9
235.13274	27.8
253.14349	86.3
276.19168	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	450.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81578	0.6
54.70987	0.6
55.05510	2.6
56.05038	1.1
58.06610	0.8
60.04518	0.7
67.05490	1.1
69.03430	1.0
69.07070	2.5
70.02942	0.7
70.06596	11.9
71.29719	0.9
72.07813	0.8
72.08167	11.1
74.06095	0.8
81.03419	1.3
81.07072	0.9
84.04510	1.9
84.08140	4.1
85.02908	1.7
85.03989	0.8
86.09708	92.6
87.05594	3.8
87.10043	1.9
88.03997	0.6
91.05483	2.3
93.07068	1.3
95.04977	0.7
96.08157	0.8
97.02885	1.0
98.06065	3.8
98.09673	0.8
99.04459	1.6
101.07093	0.7
103.03957	1.1
103.05481	3.4
105.07072	0.8
107.04955	1.7
107.08634	0.9
110.07166	1.8
115.05096	2.1
115.08659	0.8
119.04896	0.7
120.08107	100.0
120.59533	0.5
121.02857	1.3
121.08444	2.4
121.10127	0.7
125.05968	0.8
126.12782	0.7
127.03921	2.3
127.04971	1.0
129.10236	2.8
132.08101	3.3
132.10210	15.0
133.06102	1.8
136.07596	1.3
141.10248	0.8
143.04865	0.9
143.11824	6.5
145.04965	1.1
145.06367	0.9
155.11818	1.1
164.07071	0.9
169.13324	2.5
171.04413	0.7
171.11278	5.1
172.07225	0.8
177.10234	36.0
178.10648	1.1
183.11278	1.1
186.15968	1.0
189.10178	1.9
189.12338	4.9
191.08461	0.8
200.13905	3.9
201.12367	0.9
205.09729	20.3
206.10069	1.7
212.13965	3.3
217.09715	2.1
219.08031	2.1
223.10886	1.2
228.13472	2.8
237.09056	1.4
246.14507	15.4
247.07532	1.7
253.13995	0.7
256.12878	1.5
262.11844	5.3
265.08585	4.5
273.15942	2.5
277.99631	0.6
280.12909	1.3
285.15707	1.0
288.05789	0.7
290.11316	0.7
290.18884	0.7
291.14572	1.4
318.18130	3.3
319.13992	2.6
347.20737	1.5
375.20203	1.0
393.21243	0.7
404.22833	1.5
415.19904	1.0
432.22418	3.8
450.24316	11.2
450.30112	1.0
451.24445	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	450.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11114	19.0
55.05510	18.2
57.03429	19.4
58.15003	15.4
67.05499	38.7
69.53948	18.6
70.44064	45.3
74.16805	19.7
79.05488	29.6
80.94862	25.0
81.07059	60.8
88.76202	18.3
93.07036	36.5
95.08600	38.3
98.98459	50.3
105.07049	20.1
109.10072	19.0
110.71867	16.9
114.88559	19.3
155.01035	21.2
159.75508	16.5
159.77145	17.9
193.04964	20.1
259.00122	22.3
335.25818	100.0
472.46725	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	450.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.1
56.05036	2.0
57.03396	1.2
58.06602	3.3
58.54064	0.3
60.21136	0.3
61.02883	0.3
62.87857	0.3
67.05508	2.0
68.05399	0.3
69.03393	1.1
69.07028	1.0
69.49554	0.9
69.49960	1.1
70.06594	6.9
71.04957	0.6
71.06921	0.4
72.08152	3.4
74.06057	0.4
74.34929	0.3
74.70121	0.3
79.05494	2.2
81.03389	0.4
81.07053	3.9
82.06532	1.2
83.04942	0.8
83.08594	0.5
84.04450	1.3
84.08144	8.5
85.02903	1.8
86.09663	1.4
88.07590	0.6
88.94708	0.4
91.05431	0.9
93.07023	1.8
95.06006	0.4
95.08565	1.2
96.08090	1.0
97.02837	0.8
97.06533	1.7
98.06001	0.4
98.09674	0.5
98.23351	0.4
99.04423	0.4
99.08045	0.4
100.07553	0.4
101.07104	0.3
105.06985	0.7
107.04931	0.5
107.08545	1.1
108.08092	0.6
109.02858	0.4
109.06511	0.4
110.07105	1.2
110.09684	7.9
111.10433	0.4
112.07581	0.6
112.08710	0.8
112.11246	9.7
113.07114	0.5
113.11497	0.3
114.09132	0.7
116.07058	0.5
119.08520	0.9
120.08077	1.6
121.10159	2.0
123.08015	0.6
124.03934	0.4
126.12764	0.4
127.03874	0.5
128.10715	33.3
129.10187	2.5
129.11037	1.2
135.11664	0.6
136.07523	1.3
145.10085	0.5
151.07481	0.6
154.29242	0.3
165.09032	0.4
175.11989	0.4
186.12416	0.4
198.14815	0.4
208.20563	0.4
210.18520	1.8
228.19530	0.9
234.18521	0.5
252.19563	7.0
253.20062	0.5
270.20648	19.4
271.20969	1.4
288.21686	100.0
289.22021	5.9
330.21356	1.0
414.24377	0.4
432.25992	1.5
440.32690	0.4
450.27014	82.9
451.27344	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	450.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01836	1.2
55.05509	2.6
56.05037	5.9
57.03434	2.9
58.02931	1.0
58.06601	15.2
61.02886	1.9
67.05502	3.9
69.03432	5.5
69.07069	13.0
69.53382	0.4
69.53656	2.0
70.06590	3.7
71.04961	1.1
71.06832	0.5
72.08160	3.2
73.02882	1.2
73.06514	1.6
74.06032	0.9
74.07829	0.4
79.05493	8.2
81.03410	2.4
81.07056	17.8
82.06526	0.4
82.07341	0.5
83.01291	0.7
83.04942	1.1
83.08606	0.7
84.04490	0.4
84.08144	3.2
85.02901	8.5
86.09656	1.5
87.04433	1.4
91.03948	0.6
91.05472	3.5
93.07043	5.6
95.04912	0.6
95.08608	10.2
96.08099	0.7
96.38535	0.5
97.02901	3.8
97.06530	4.7
97.10157	0.9
99.04428	0.8
105.07024	3.4
107.08592	3.0
109.02859	1.9
109.06513	0.7
109.10109	0.9
110.07153	0.8
110.09669	2.3
111.08061	0.5
112.11180	0.5
115.07521	1.5
117.06950	0.4
119.07797	0.5
119.08572	6.2
120.08082	1.8
121.10143	2.7
123.08017	0.7
125.05988	5.1
127.03901	1.2
129.10225	0.9
133.10107	3.1
135.11652	1.1
136.07545	0.7
137.09549	0.7
141.09106	0.6
143.05998	0.7
143.07033	8.2
143.08560	1.0
145.04880	0.9
145.10123	0.9
147.07979	0.5
147.11687	2.1
157.10100	0.6
159.11700	1.5
161.08075	1.3
161.09552	0.8
161.13205	2.2
165.12790	0.5
167.43478	0.4
175.14830	7.8
176.15135	0.5
185.13248	3.4
185.87685	0.4
203.14297	6.7
208.20598	2.4
221.15405	5.6
234.18513	0.6
239.16383	1.9
252.19582	7.9
270.20630	60.7
271.20956	2.7
288.21680	100.0
289.22034	6.5
312.21765	0.8
330.22763	0.8
371.50671	0.5
414.25021	1.8
432.26004	4.2
450.26990	36.0
451.27396	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	450.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
56.05045	1.8
57.03407	1.1
57.66427	0.3
58.06602	18.1
59.04985	0.4
59.90911	0.3
61.02907	0.6
67.05508	1.7
69.03442	1.7
69.05788	0.3
69.07048	1.4
70.06598	2.2
71.04961	0.4
71.06902	0.3
71.10378	0.6
72.08157	6.3
79.05474	1.2
81.03374	0.7
81.07056	3.6
82.06536	0.4
83.08553	0.3
84.08141	2.1
85.02906	3.2
85.06523	0.4
86.09668	0.5
87.04449	0.6
88.07613	1.0
91.05488	3.8
93.07069	1.9
95.08612	1.6
96.08109	0.9
97.02901	1.6
97.06496	0.8
100.07562	0.8
105.07011	0.6
107.08586	0.8
108.08099	0.7
109.02830	0.5
109.06470	0.5
109.10123	0.8
110.09692	0.6
114.09176	0.4
114.23290	0.3
119.08552	0.8
120.08100	0.5
121.10095	0.6
123.08040	0.4
127.03904	0.9
129.10237	0.7
133.10110	0.7
135.11671	0.8
136.07585	0.4
145.04956	1.1
149.09373	0.3
161.13252	0.8
163.06062	0.4
168.13821	0.7
186.14902	1.0
226.18056	2.0
245.91634	0.3
250.18011	0.4
252.19566	7.9
270.20651	10.0
271.21036	0.7
288.21683	100.0
289.22009	5.0
312.21664	0.9
330.22906	0.4
414.24896	0.8
432.25876	3.0
450.26978	65.5
451.27335	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	450.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
54.26778	0.4
55.05482	2.1
56.05032	3.3
57.02900	0.4
57.03406	1.5
58.06598	19.3
59.04964	0.4
61.02886	0.8
66.71066	0.5
67.05516	3.3
69.03433	2.5
69.07069	2.2
69.29140	1.8
69.29565	1.5
70.06590	8.1
71.04977	0.8
72.00248	0.5
72.08157	15.8
73.08469	0.8
79.05490	3.3
81.03394	1.6
81.07059	7.9
82.06519	0.5
83.04949	1.6
84.04483	0.9
84.08144	16.3
85.02911	2.7
85.08898	0.7
86.09715	2.7
87.04429	0.7
88.94727	0.6
91.05458	1.9
93.07040	3.5
93.07563	0.6
95.08603	3.3
96.08131	0.9
97.02859	1.8
97.06517	0.9
98.18166	0.5
100.07578	0.8
101.05990	1.0
102.09144	0.6
104.05290	0.8
105.06981	1.8
107.08543	1.1
108.08099	0.7
109.02831	0.4
109.10104	0.6
110.09660	1.0
111.04411	1.3
111.08110	0.4
114.09140	1.1
114.67529	0.4
119.08566	2.9
120.08058	1.9
120.08835	0.5
121.10101	0.6
123.08006	1.1
126.09106	0.5
127.03877	0.7
128.10651	0.5
129.10242	9.9
130.10542	0.5
131.08525	0.5
133.10098	1.4
135.11682	0.8
136.07579	0.9
137.09534	0.4
137.20915	0.5
144.10162	0.7
145.10104	0.7
147.11574	0.5
161.13249	2.3
164.76669	0.5
166.08676	0.5
168.13808	0.5
183.14990	0.6
186.12399	0.6
189.12718	1.3
203.10225	1.1
203.12157	0.8
204.10507	0.6
204.12469	0.5
207.13849	0.7
226.18054	0.8
228.17105	0.9
231.11632	0.5
240.21420	0.5
249.74316	0.5
252.19585	6.8
268.19110	0.6
270.20627	25.1
271.21024	1.1
288.21683	72.9
289.21960	4.0
300.73322	0.5
312.21741	2.6
330.22687	3.2
372.23907	0.5
396.23740	0.8
414.24829	3.5
432.25949	11.0
433.25775	0.8
450.26984	100.0
451.27390	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	451.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10204	0.9
53.03943	5.9
55.01891	0.9
55.05513	14.9
57.07080	23.8
64.97967	1.3
65.03929	2.6
67.05501	2.6
69.70335	3.7
70.06583	2.2
71.04993	12.9
75.00017	3.6
77.03937	1.8
79.05483	1.0
82.98990	9.7
83.04983	57.2
84.05324	1.8
91.05479	3.5
93.07066	1.3
95.04977	3.8
98.22733	1.3
98.98461	3.4
101.06016	6.4
105.04535	1.0
105.07046	1.9
107.05027	1.1
117.01031	29.6
118.01362	1.2
118.81385	0.9
119.02627	1.1
119.08605	1.2
128.06262	1.3
129.07005	3.3
135.02092	8.4
143.08630	1.1
147.02057	12.2
147.08084	2.0
147.11670	8.0
151.01578	0.9
165.03131	31.8
175.01555	100.0
176.01953	2.0
181.02592	11.8
187.01595	0.9
193.02591	2.3
227.04633	6.6
231.07892	7.6
265.03116	1.0
275.06818	13.5
276.07315	0.8
279.49918	1.1
283.10928	1.1
313.11945	5.2
321.02841	4.4
331.13034	54.7
332.13461	3.1
339.03845	6.3
369.18311	2.2
377.09155	18.6
387.19305	33.7
388.19702	2.1
395.10150	56.6
396.10672	2.8
433.10825	0.5
433.15399	28.2
434.15659	2.6
450.37839	3.2
451.16467	46.9
451.37894	1.4
452.16776	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	451.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
55.25192	0.5
56.96569	21.4
57.03428	1.8
57.07074	4.7
58.07386	0.8
67.05508	0.7
69.07072	0.9
69.26682	2.7
69.27094	0.9
71.08642	2.6
71.95258	4.1
72.96040	1.4
74.97599	0.8
81.07053	1.4
83.08608	0.7
84.96019	1.5
85.10178	1.7
86.76701	0.5
89.06030	6.2
93.07028	0.7
95.08603	1.6
97.96822	1.0
98.97592	2.2
98.98471	1.9
99.62009	0.5
105.00179	0.5
109.10152	1.2
109.30990	0.5
110.97597	3.2
112.99131	0.7
115.00657	0.5
115.97852	0.6
116.98616	1.2
119.08535	0.7
120.65298	0.5
123.01154	1.0
123.11755	0.6
128.98604	5.2
131.00107	0.8
133.08604	2.3
134.99637	0.7
136.99963	2.3
137.02722	1.1
141.02115	0.6
143.00165	0.5
146.99655	3.4
149.01210	0.9
155.01083	1.9
155.03865	1.0
156.01508	0.5
157.01619	1.0
161.01158	1.3
165.00734	0.6
169.05406	0.8
171.03326	1.2
185.04837	0.8
189.04387	1.5
203.05873	0.7
206.16212	0.6
227.09645	0.9
239.09543	0.8
245.10706	1.4
257.10638	0.8
259.12143	0.5
279.12579	1.3
297.13745	0.6
315.27951	1.0
317.17868	100.0
318.18213	7.1
319.19427	1.0
333.17245	1.7
335.18933	43.0
336.19296	2.6
353.19733	0.7
358.20541	9.0
359.20935	0.6
361.20758	0.6
391.21567	7.9
413.58749	0.6
451.27295	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.5
56.05038	0.8
57.05814	0.6
67.37663	0.6
69.07056	3.0
70.06583	4.1
70.13705	1.9
72.08153	64.3
73.08485	1.2
75.05600	2.0
81.03404	0.6
84.04488	0.8
84.08141	1.6
86.09703	57.3
87.10027	1.0
91.05479	10.0
91.31203	0.4
93.07021	0.5
97.02887	0.5
103.05506	0.8
107.04976	0.9
110.07109	0.7
111.14755	0.4
115.08737	0.4
116.07111	0.5
119.04943	9.7
120.08101	15.3
121.02849	1.6
121.06509	0.9
121.08477	1.0
123.04430	0.5
129.10219	3.6
130.04849	0.5
136.07570	100.0
137.07910	3.2
143.11775	7.7
145.02812	0.5
147.04356	0.5
148.06107	0.6
157.09698	1.0
165.05418	0.8
165.17882	0.5
171.11276	4.9
175.10770	14.3
176.11166	0.5
182.08122	2.3
185.16473	2.8
187.07245	0.6
189.12317	0.8
198.67029	0.5
203.03369	0.9
204.13925	1.1
213.15962	2.5
225.16045	1.1
233.16437	1.8
235.14368	1.5
249.15962	33.9
250.16234	2.1
261.16025	0.8
263.13873	0.8
270.18057	1.6
277.15457	24.4
278.15726	1.6
281.14917	4.0
288.19147	1.4
291.88016	0.4
295.12735	1.3
295.16241	1.0
320.07077	0.5
321.07440	1.2
330.22879	0.6
331.20081	0.6
347.08856	0.5
349.07098	2.9
349.10620	0.5
359.08783	0.8
361.06775	0.6
376.22263	1.1
379.08069	0.7
387.08670	1.2
403.07861	0.6
415.07864	1.3
433.09082	3.4
434.09546	0.8
451.10629	2.3
451.21872	0.8
451.27252	1.7
451.32959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07711	2.0
55.05504	7.2
57.03447	16.6
59.04996	4.9
61.02920	2.7
61.78192	1.9
67.05490	9.8
69.03432	56.9
69.07072	4.7
69.54530	14.9
70.06590	12.7
71.04981	10.1
72.08160	11.3
79.05482	6.0
81.03417	3.8
81.07041	17.8
84.04499	2.8
84.08125	6.2
85.02905	55.5
86.03278	2.4
86.09711	15.7
87.04469	37.6
91.05474	5.6
93.07026	8.1
95.05006	2.3
95.08604	4.7
97.02895	48.3
99.04474	4.3
100.11242	8.4
104.10754	3.4
105.07047	6.7
107.08569	5.4
109.02852	4.0
109.06503	2.4
109.10172	3.2
110.07144	4.5
115.03175	2.3
115.03927	63.1
116.04118	2.6
119.08588	4.3
119.20121	2.1
120.08112	12.3
121.06467	2.7
121.10139	3.3
123.04367	2.8
123.11694	7.7
127.03887	10.5
129.10243	2.5
131.08511	3.0
133.04973	67.9
135.08031	2.5
135.11787	2.9
139.61571	2.5
145.04964	13.5
145.10123	2.4
147.04379	3.6
150.07596	10.0
151.11168	3.0
157.10161	2.1
163.06090	2.8
177.12923	2.1
183.11542	2.4
200.65604	2.3
207.34698	2.4
220.85785	2.0
310.77560	2.2
327.13495	2.7
399.89734	2.6
434.22464	3.3
452.23593	100.0
453.16525	6.1
453.23911	7.9
453.34402	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	452.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95399	14.4
55.09142	14.0
69.74732	33.4
69.75117	25.9
81.03413	17.5
91.35428	17.7
95.04983	19.9
107.21642	16.0
121.10187	19.0
126.11098	13.7
173.76360	15.1
192.98997	16.5
193.16034	21.3
216.64185	16.0
297.18497	25.5
453.16760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38379	12.4
65.12005	13.8
69.19941	100.0
70.76833	14.3
78.01978	15.2
81.03422	29.9
89.06000	15.5
95.04949	39.9
95.08625	15.2
100.76897	13.0
107.08608	21.1
116.03669	13.9
121.10106	18.8
163.03937	18.2
163.11218	28.9
197.13377	14.0
297.18518	25.8
315.19830	17.6
331.10471	14.8
453.17010	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05515	14.9
57.03433	8.8
57.07075	5.9
67.05503	10.4
69.07068	22.0
71.04979	0.8
71.08627	3.3
71.30004	1.1
79.05494	6.2
81.07057	12.8
83.08620	11.8
85.06528	0.9
85.10168	1.1
91.05467	1.6
93.07045	7.3
95.05013	0.8
95.08605	9.3
97.06533	1.7
97.10170	6.5
104.10716	0.6
105.07037	1.0
107.08602	5.4
109.10159	4.7
111.08075	1.9
111.11709	2.1
121.10144	6.3
123.11703	2.5
134.69801	0.7
135.11707	4.6
136.93109	1.1
137.09575	0.7
137.13226	0.8
138.43102	0.7
139.11171	0.8
149.13242	2.2
154.94211	1.2
163.03906	1.9
163.14828	1.2
172.95219	2.3
181.94875	0.6
190.96300	1.2
194.13455	0.7
207.06567	3.0
210.96935	0.6
219.21045	1.6
237.22211	1.6
280.26343	3.0
281.26376	0.7
311.25790	100.0
312.26190	5.6
317.17847	0.8
329.88531	0.7
335.19046	0.8
361.83362	0.7
453.16986	1.2
471.18198	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	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62476	0.7
53.03931	0.9
53.77085	0.7
55.05273	1.1
55.05516	13.8
56.76715	0.8
57.03443	5.7
57.07064	4.7
59.04983	0.9
62.06092	25.7
67.05184	0.9
67.05508	11.1
67.40767	0.6
69.07072	22.5
69.33642	1.5
69.34058	2.9
71.08628	2.9
79.05492	4.5
81.07056	11.7
83.08620	12.9
89.72782	0.8
91.05477	2.3
93.07043	6.4
95.08603	10.4
97.06523	1.5
97.10175	6.2
98.06038	0.9
98.98467	6.4
107.08611	5.2
109.10152	4.7
111.08057	1.2
111.11703	1.7
119.08600	1.3
121.10147	6.4
123.11705	2.3
124.01600	1.6
135.11662	4.1
137.13277	0.9
142.02626	1.4
149.13277	1.0
153.12820	0.8
154.99919	1.1
155.01028	6.3
163.03963	1.7
173.02060	0.9
198.05293	1.5
207.06482	1.6
216.06340	2.4
219.20964	1.4
237.22131	4.5
280.26367	12.9
296.97778	0.8
311.25797	100.0
312.26129	6.7
387.09476	0.7
391.22284	2.7
434.15283	0.8
434.26178	2.0
452.27710	0.9
453.32086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	19.3
57.03442	7.5
57.07091	7.9
59.87081	3.5
62.06100	29.5
67.05509	12.6
69.07080	21.9
70.80692	3.6
79.05475	5.6
79.59806	3.5
81.07046	22.4
83.08623	14.8
93.07065	7.2
95.08627	10.0
97.06552	4.7
97.10178	7.4
98.98483	13.6
107.08630	4.4
111.08070	6.3
111.11702	3.5
119.30666	3.6
121.10148	11.7
135.11702	6.7
136.61087	3.6
155.01051	8.4
163.03940	12.9
207.06549	20.8
214.53363	3.6
219.21106	4.8
222.06999	3.9
237.22153	6.4
280.26257	17.4
311.25848	100.0
312.26190	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	452.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
55.05517	4.0
56.05033	2.7
57.03452	3.8
58.06604	30.2
61.02922	1.7
67.05501	8.3
69.03435	6.4
69.07082	3.9
69.10743	6.6
70.06598	8.6
71.04978	1.1
71.07394	0.9
72.08156	4.4
73.02930	0.9
74.06066	1.7
79.05499	4.0
81.03419	2.7
81.07057	14.5
83.08624	2.9
84.07638	0.8
84.08146	15.8
85.02900	14.0
85.06530	2.0
88.07629	2.8
91.05474	3.6
93.07044	4.5
95.08610	13.6
97.02912	4.8
97.06522	1.2
97.10140	0.9
98.09700	2.7
99.04442	1.5
105.07039	2.4
107.08602	4.8
109.02882	2.0
109.06487	1.0
109.10139	4.7
111.08086	2.1
112.11242	1.7
117.07022	0.8
119.08582	1.4
120.08137	1.0
121.10144	3.2
124.11227	0.9
127.03918	3.5
131.08635	1.1
133.10104	4.4
145.04996	1.4
147.11702	1.4
149.13173	0.9
163.14879	0.9
163.88295	0.8
165.56642	0.8
172.13335	0.9
187.14842	2.9
188.09552	0.8
205.15912	1.4
221.74107	0.8
223.16983	1.7
236.20050	5.4
254.21143	42.7
255.21469	1.9
272.22202	45.5
273.22498	1.9
290.23257	100.0
291.23520	6.7
323.10168	1.0
325.63153	0.8
332.24252	1.2
416.26294	1.8
434.27716	2.5
452.28592	47.8
453.13504	1.4
453.28946	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56148	0.4
52.14582	0.5
53.03843	0.5
55.05377	2.0
55.05663	1.0
56.04902	2.5
56.05210	1.4
57.03302	2.8
57.03617	1.4
58.06463	12.1
58.06790	6.3
60.04417	0.7
61.02809	1.0
63.54251	0.5
66.21416	0.4
67.05359	3.9
67.05768	1.4
69.03279	4.7
69.03700	1.7
69.06926	2.6
69.07325	0.8
70.06445	8.8
70.06876	2.9
70.34493	1.4
71.04865	0.8
71.07241	0.5
72.08006	4.2
72.08441	1.0
73.02787	1.1
74.05923	1.8
74.06379	0.9
79.05331	2.5
81.03256	2.2
81.06898	10.0
81.07429	2.2
82.06455	0.6
82.24750	0.5
83.08462	1.8
84.04382	0.9
84.07983	13.5
84.08543	2.5
85.02746	8.1
85.03294	1.4
85.06384	1.4
86.09550	4.3
86.10114	1.1
87.04343	1.0
88.07516	0.9
88.07996	0.6
91.03825	0.9
91.05318	2.1
93.06883	2.5
95.08441	9.2
95.09084	1.1
97.02720	4.2
97.10026	1.1
98.09505	2.1
99.04319	1.0
101.06984	0.6
105.06853	2.1
107.08420	3.2
109.02738	1.2
109.06387	0.6
109.09991	2.9
110.06981	2.2
110.33003	0.5
111.07966	1.0
112.11124	0.8
116.06960	0.6
118.06718	0.5
119.08414	1.3
120.07932	1.7
120.08713	0.5
121.08324	0.8
121.10110	3.0
123.07880	1.0
123.11577	1.1
125.09431	0.7
127.03893	2.7
129.10217	2.4
130.06329	0.7
131.08417	1.4
133.09952	3.0
135.11557	0.6
136.07396	1.6
145.04834	0.5
145.09926	1.7
147.11475	1.5
149.09441	1.4
149.13185	0.7
159.09074	1.0
163.03815	0.8
163.14673	0.7
167.14088	0.6
177.16147	0.8
184.39409	0.5
187.14772	2.3
205.15733	1.1
223.16859	1.4
236.20065	5.5
240.09694	0.7
254.21141	35.3
255.21422	2.4
272.22180	38.0
273.22580	2.0
289.21881	0.7
290.23239	100.0
291.23569	5.7
416.26382	1.5
434.27411	2.9
452.28854	38.6
453.14111	1.2
453.22812	0.8
453.28973	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00132	0.5
50.19255	0.6
60.56572	0.5
71.28132	0.8
71.28487	0.6
97.11071	0.5
106.44526	0.6
108.47864	0.6
122.97895	0.7
135.89261	0.6
177.00940	1.2
178.01077	0.8
179.00803	0.7
185.64824	0.6
192.98982	0.8
198.97977	1.3
216.98935	7.2
219.01924	2.7
222.98029	1.7
234.99998	22.5
236.00198	2.9
236.99812	0.9
240.98920	10.4
241.98994	1.4
250.97585	1.0
253.01056	5.8
254.01123	0.7
259.00024	54.5
260.00070	6.2
260.64380	0.6
261.00140	1.3
261.03070	1.4
262.03250	1.6
262.99466	0.9
263.02899	1.9
264.03110	0.8
264.99066	1.9
265.99039	1.0
268.98450	17.4
269.98575	2.2
273.98798	0.8
274.13678	0.6
274.97928	1.9
277.01071	41.7
278.01175	6.2
279.00974	0.8
282.99997	58.7
284.00189	9.2
284.99915	1.0
286.99490	42.5
287.99673	6.3
291.99698	1.0
292.99060	1.5
301.01059	100.0
302.01151	15.1
303.01093	2.7
305.00616	5.5
316.99057	2.3
319.02176	6.4
319.07895	0.6
320.02136	1.0
324.02722	1.2
329.10403	2.0
340.98972	0.8
343.01974	0.8
359.00101	4.4
360.00372	1.0
385.01740	2.5
386.99783	1.3
392.98346	4.8
393.98383	1.1
401.01285	2.0
402.01553	0.8
407.00244	2.3
410.99557	26.4
411.99805	6.3
425.01151	14.6
426.01282	3.6
429.00662	93.4
430.00790	21.3
431.00742	0.9
440.49393	0.7
443.02240	37.2
444.02362	10.9
445.02371	0.7
446.02469	0.9
447.01727	1.9
450.00323	0.8
452.02219	2.4
453.02429	0.7
453.09875	1.1
466.03583	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	453.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00106	0.5
58.06606	0.7
62.63955	0.5
70.06601	4.3
71.28178	0.8
72.08156	2.4
72.26817	0.5
73.68381	0.5
78.38358	0.5
82.06596	0.9
83.01086	0.7
84.04490	0.6
84.08138	1.9
86.09718	1.3
95.01090	1.2
96.01883	0.8
99.42077	0.6
110.07183	0.9
113.02124	1.5
116.07148	0.5
127.85625	0.6
136.07587	0.8
185.02254	0.5
185.04279	2.5
198.29483	0.6
199.07544	5.6
201.03780	0.8
203.05406	0.5
214.20828	0.5
223.28067	0.6
238.13063	0.7
238.15384	1.3
259.07886	0.8
308.63666	0.6
350.13495	0.6
436.22223	2.6
453.13678	100.0
454.13986	6.5
454.23422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34922	0.4
55.05510	0.8
56.05035	0.4
69.04197	2.8
70.06581	1.4
72.08140	1.2
74.06095	0.4
79.05508	0.4
83.08616	0.7
84.04488	0.4
84.08129	0.8
85.02885	0.8
85.04025	0.4
86.09693	0.9
89.69920	0.4
91.05527	0.4
91.48294	0.4
95.04983	0.3
99.04429	0.4
100.07595	0.4
100.11258	3.7
103.03977	0.5
105.07043	0.7
107.08555	0.4
109.02881	0.5
110.07153	1.1
111.04419	0.4
112.07587	0.4
119.08591	0.4
120.08109	0.5
127.03922	1.2
128.07138	0.3
129.06577	0.5
130.06514	0.5
132.08076	0.5
139.08621	0.4
144.08081	0.3
145.10199	0.4
147.11534	0.5
165.08095	0.3
182.15450	1.5
185.04222	1.2
203.05325	0.4
209.16501	1.4
210.14908	1.1
226.19263	0.4
229.11993	1.1
231.10002	0.7
247.13078	4.6
260.13858	0.5
273.11026	0.6
291.12030	100.0
292.12329	4.5
296.06558	0.4
309.11841	0.6
398.25616	0.4
435.33279	1.3
453.17264	32.9
453.34265	3.3
454.17700	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	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65415	0.3
55.05495	0.7
57.70648	0.3
64.71762	0.3
67.55064	0.3
69.03366	0.3
70.06592	1.5
70.89096	0.7
72.08120	0.4
81.07034	0.5
84.08111	0.5
86.09686	0.6
100.11261	2.3
106.93424	0.3
110.07136	0.4
114.92444	0.3
118.01389	0.3
122.64500	0.3
164.52240	0.3
172.15460	0.4
182.15334	0.8
185.04181	1.1
203.05249	0.5
207.87305	0.3
210.14854	0.6
247.13034	3.8
248.13599	0.5
273.10861	0.6
291.12021	100.0
292.12363	4.4
338.20508	0.5
350.94431	0.3
391.16974	0.4
393.14313	0.6
435.33621	0.7
453.17307	47.3
453.22885	2.8
453.34030	2.8
454.17633	4.0
454.23483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.59286	0.3
55.05494	0.9
57.19144	0.2
58.65405	0.3
67.05490	0.5
69.03414	0.5
69.07072	0.4
70.06605	2.1
70.34337	0.5
72.08138	0.5
77.05227	0.3
78.79603	0.3
81.03403	0.4
82.06570	0.3
83.04904	0.3
83.08591	0.8
84.08146	0.4
85.02904	0.8
86.09686	0.6
91.05462	0.8
99.04441	0.4
99.16434	0.3
100.07598	0.3
100.11257	4.4
103.03919	0.5
105.07083	1.4
109.02834	0.5
109.10177	0.4
110.07133	0.8
111.04424	0.5
119.08575	0.8
120.08097	0.9
127.03906	0.8
128.10747	0.3
129.10162	0.5
144.17941	0.3
145.10086	1.4
147.11676	1.4
153.18820	0.4
157.10103	0.8
159.09167	0.3
159.11737	0.5
182.15398	1.3
185.04237	0.7
209.13367	0.3
209.16544	1.4
210.14894	1.2
215.45711	0.3
223.88275	0.3
226.19121	0.4
229.12000	1.2
231.09972	0.8
247.13045	1.2
267.10852	0.4
273.11557	0.3
291.12024	100.0
292.12381	5.8
309.11832	0.8
311.03516	0.3
333.16943	0.4
415.32990	0.3
435.33374	1.8
436.33566	0.4
453.17288	36.0
453.34229	4.8
454.17572	2.8
454.34317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2335
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
51.43042	0.8
55.01849	1.6
55.05508	4.8
56.05010	2.3
58.06604	3.7
65.03911	0.9
68.04998	0.8
68.24730	0.7
69.03441	1.5
69.07060	1.2
69.19996	4.2
69.20397	1.4
70.06590	44.0
71.06901	1.6
72.07765	1.6
72.08150	32.0
72.25459	0.7
73.08452	1.4
74.06065	1.7
75.09245	1.0
82.06129	1.1
82.06577	16.1
83.04984	8.6
83.06071	2.5
84.04509	4.8
84.08139	27.4
85.02882	2.3
85.07645	1.1
85.08468	0.9
86.06081	0.7
86.09695	9.2
87.05611	1.1
87.10031	1.5
89.03893	1.3
93.84481	0.7
94.40708	0.7
96.04495	4.2
96.08113	1.2
97.02849	1.0
97.07671	1.0
98.06078	3.6
98.09658	1.4
101.07104	2.2
102.05507	0.7
107.04951	5.7
110.07145	5.5
110.09666	10.1
111.00784	1.5
112.03964	1.1
112.11233	12.1
113.07124	4.0
116.07069	3.3
117.03353	1.4
117.07015	0.8
117.11665	0.8
117.92870	0.6
119.04874	1.1
120.08062	1.7
121.02857	2.0
124.07582	9.5
126.05440	0.9
127.03922	1.0
127.08690	1.5
129.10223	6.5
129.13853	4.0
130.06482	2.3
131.04912	3.5
133.06418	1.4
135.04376	2.1
136.07588	1.3
138.09126	2.7
139.08698	1.6
140.07034	2.2
141.10223	2.5
144.05739	0.9
145.02815	1.6
145.06471	1.7
146.16446	1.1
147.04387	1.2
153.06827	2.1
153.10251	4.1
153.12726	17.0
154.08633	1.2
155.11794	6.7
157.06473	1.5
159.04384	1.4
159.09132	2.8
160.09482	0.9
163.03906	9.3
167.05772	1.7
167.08167	2.4
168.06494	2.1
169.09618	1.2
170.05952	1.4
171.07977	1.3
172.07570	1.0
181.06421	7.4
181.09676	1.5
181.13318	1.2
182.08167	1.0
187.03889	2.0
188.07063	2.6
191.08553	1.2
197.06102	0.8
198.12381	3.1
199.07533	100.0
200.07733	3.7
208.10817	1.5
209.07245	1.2
209.09456	1.3
209.12819	0.9
212.17609	1.5
213.12315	2.0
216.06480	0.9
219.07974	1.6
220.14458	1.0
221.12782	0.9
228.10173	3.5
229.15483	2.2
234.96852	1.4
237.09102	2.5
237.14738	0.8
238.13130	5.4
238.15491	20.7
239.13759	3.4
242.11893	1.1
244.09692	3.0
251.15062	0.8
252.97935	2.4
255.15758	3.3
256.09595	1.1
256.16635	0.8
258.11197	2.8
261.12289	1.4
263.07111	1.0
265.08655	2.6
274.10605	1.1
292.11465	1.8
313.15543	1.3
324.16953	1.2
332.19904	0.9
342.18109	11.8
343.18484	1.1
383.16214	1.0
392.23959	1.0
392.74017	1.0
394.98581	4.6
408.22794	1.1
410.24472	1.5
412.99683	1.4
418.21237	3.9
419.19543	1.2
436.22247	65.1
437.22482	6.5
454.23285	48.1
455.24057	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	454.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48329	2.1
55.01875	2.6
55.05504	9.0
57.03440	21.8
57.07071	2.6
59.04987	3.9
61.02915	2.5
67.05500	5.8
69.03428	76.7
69.07070	9.7
70.06593	7.9
71.04984	7.0
72.08162	3.8
73.02898	4.2
74.00033	2.1
76.86423	1.9
79.05493	3.9
81.03405	5.7
81.07049	7.7
83.08617	8.1
84.04482	1.9
84.08125	2.3
85.02908	85.3
85.06539	16.0
86.09708	3.2
87.04467	51.1
88.86057	2.2
91.03951	2.2
91.05476	4.4
93.07050	6.2
95.08589	4.1
97.02896	63.2
97.06506	3.8
98.23420	4.4
99.04462	6.5
100.11255	7.3
101.11591	2.3
105.07036	5.9
107.08607	3.8
109.02859	4.5
110.07195	4.7
111.04406	3.0
114.17175	2.1
115.03149	4.6
115.03932	76.6
115.04745	3.9
119.04916	2.7
119.08590	3.7
121.06541	2.3
121.10155	2.8
125.42760	1.9
127.03916	14.0
131.08525	2.1
133.04968	100.0
139.07513	3.4
145.04950	23.2
145.10132	2.5
150.07639	11.3
153.12772	3.1
163.03932	4.1
163.06035	6.2
169.05002	2.9
182.15338	3.0
209.15369	5.5
210.14793	3.4
215.03741	2.3
239.11772	2.9
253.13203	2.6
255.99510	2.0
257.17502	2.6
259.07974	2.4
277.09320	2.6
295.10306	2.2
407.82983	2.4
410.64227	2.2
454.16809	6.7
454.34555	4.0
455.17700	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	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.03931	0.8
53.59306	0.5
55.05520	3.4
56.61887	0.6
57.03447	5.2
57.06795	1.1
57.07082	27.4
62.06097	28.1
67.05506	4.3
69.07079	3.0
69.16587	4.6
71.08643	17.7
79.05479	0.6
81.07069	7.5
83.08615	4.9
85.10188	10.0
89.01662	0.5
89.06039	0.8
95.08615	8.1
97.10159	2.9
98.98480	6.9
99.11753	0.6
109.10158	2.7
123.11736	1.2
124.01608	1.5
132.53455	0.6
142.02673	0.9
155.01048	7.7
173.02112	0.9
173.03902	0.5
182.37291	0.6
190.41408	0.6
198.05266	1.1
216.06322	2.9
216.08154	0.6
239.23776	1.8
282.27954	12.2
313.27380	100.0
314.27728	7.1
347.10629	0.6
393.23907	5.8
394.24466	0.8
410.91174	0.7
436.28116	1.4
455.21747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.77759	0.4
55.05513	4.0
55.88581	0.5
57.03440	8.4
57.07077	26.8
67.05509	7.5
69.07066	5.8
69.13251	3.7
71.04962	0.7
71.08633	19.7
73.62633	0.5
79.05482	1.7
81.07055	9.3
83.08616	6.4
85.10184	9.8
89.06012	1.7
91.05471	1.2
93.07036	1.8
95.08607	12.0
97.10178	2.6
98.98461	0.6
99.11732	0.6
103.07561	1.4
105.46768	0.5
107.08604	1.1
109.10149	5.3
111.11744	0.9
120.96604	2.5
121.10125	1.3
123.11703	1.4
124.01624	0.6
125.09618	0.7
131.08522	0.5
135.11697	0.7
137.13210	0.6
150.38774	0.5
195.00311	0.6
239.23744	1.6
257.24728	2.4
282.27908	3.6
313.27341	100.0
314.27676	7.2
335.25772	3.3
357.23981	1.6
437.20486	0.7
455.07043	0.6
455.21674	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	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14715	0.5
55.05510	3.0
57.07078	34.3
58.07407	0.6
59.05007	0.6
69.01440	2.9
69.01859	1.4
69.07074	2.3
71.08634	24.0
72.04032	0.4
73.06554	5.9
77.31198	0.5
78.90920	0.4
79.05482	0.6
81.07058	1.1
83.08617	2.2
85.10187	20.6
87.04458	2.6
89.06033	100.0
90.06383	1.6
91.07618	1.0
95.08620	1.5
97.10171	3.1
99.11729	4.2
105.07002	0.5
106.08295	0.4
107.07079	3.6
107.08548	0.6
111.11726	0.7
111.83299	0.4
113.13304	1.6
115.98109	0.5
117.09078	2.7
119.08570	0.5
123.11739	0.6
124.93686	0.6
130.08656	1.4
133.08606	45.3
134.08958	1.1
135.10161	0.6
151.09659	1.1
155.17950	3.7
161.11853	0.5
177.11232	18.3
178.11603	0.5
191.14281	0.5
195.12288	2.4
199.20607	3.4
221.13837	1.4
239.14853	2.4
243.23213	6.8
272.09296	0.4
283.17520	13.0
284.17996	0.7
287.25888	3.0
290.80777	0.5
313.27426	2.0
349.29501	0.8
393.31982	1.2
429.98901	0.5
437.34717	12.5
438.35117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87503	0.8
72.45086	0.6
92.85557	0.5
310.29700	0.7
455.11606	100.0
456.11896	6.5
456.17560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	1.0
75.96871	0.9
77.30380	0.7
99.68159	0.8
128.89172	0.8
147.75209	0.9
191.85619	0.8
203.05287	5.8
206.11827	0.7
231.13612	1.9
249.13399	1.3
269.12589	0.9
275.12701	0.8
293.13611	19.2
294.14236	0.9
322.02747	1.0
436.33847	0.8
455.18839	100.0
456.19168	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	455.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.13884	0.9
55.01868	1.2
55.05515	14.4
57.03444	11.5
57.07066	2.4
65.03936	2.9
67.05506	58.7
68.05836	1.1
69.07070	15.3
70.33810	2.2
71.04969	2.0
75.14046	1.1
79.05491	25.9
81.07057	49.0
83.05016	1.8
83.08618	5.4
85.06548	1.3
91.05484	15.3
93.07046	31.0
95.04993	1.6
95.08606	38.5
97.06544	3.1
105.07032	8.0
107.08597	12.8
109.06496	1.1
109.10160	11.2
117.07001	1.9
119.08582	5.8
120.96635	78.0
121.10174	9.1
123.11670	2.4
131.08545	4.2
133.10158	3.6
135.11713	4.2
137.09601	1.2
137.13191	1.0
145.10098	2.8
149.13277	1.6
156.97449	2.1
159.11661	2.0
164.90410	1.2
174.98538	3.5
176.99312	2.0
195.00368	9.4
213.00171	3.4
335.25803	100.0
336.26154	9.9
357.24014	39.8
358.24237	3.7
375.25150	2.2
437.13113	1.1
437.20416	6.0
455.21667	68.4
456.21802	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	455.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02233	0.5
55.05503	3.5
57.03437	0.6
61.44260	0.6
67.05498	2.6
69.03430	1.0
69.07084	1.2
70.06595	1.2
71.05002	0.8
71.30066	1.0
71.93891	0.6
72.08175	1.2
79.05494	2.1
81.03468	0.7
81.07045	3.2
83.04979	1.2
83.08614	1.5
85.02914	0.6
86.09740	0.9
91.05474	2.0
93.07063	2.3
95.08622	1.5
97.10176	4.4
105.07048	1.9
107.08618	3.1
109.06522	0.8
109.10152	1.6
119.08578	2.4
121.06510	0.8
121.10139	0.9
124.74155	0.5
125.09622	4.4
131.08568	0.8
133.10117	0.9
135.08041	1.1
143.08647	0.8
143.10817	0.7
145.10114	1.2
159.11743	1.1
161.09515	0.6
161.13116	0.6
171.11850	0.6
173.09662	0.7
189.11281	3.5
195.11665	0.8
211.09416	9.3
239.11584	0.7
245.13831	2.0
251.11896	1.1
253.13330	0.7
265.13443	1.2
267.12033	9.4
293.12683	0.6
333.03726	0.6
358.00900	0.5
455.22592	100.0
456.17981	0.7
456.23181	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	455.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
60.05643	2.4
67.72990	0.6
69.17462	4.4
70.06588	1.5
72.08165	6.7
81.07069	0.8
84.08165	0.7
97.07676	0.7
98.06048	1.4
100.11263	3.9
101.11589	1.3
102.04740	1.2
105.07035	0.9
114.10287	8.2
115.05405	0.9
115.08700	1.5
120.08146	0.6
122.03724	0.8
130.04173	4.7
131.12947	5.9
133.06500	1.2
137.05983	21.7
137.07053	1.1
143.04953	1.8
143.84824	0.5
147.04417	5.3
149.42218	0.6
150.06747	1.2
157.10834	5.0
161.05975	5.5
162.06764	23.4
165.07018	0.6
171.04414	10.4
179.08545	0.6
182.15396	0.7
182.81451	0.6
183.04378	3.1
183.15826	0.8
189.07037	1.7
190.07822	2.0
191.08574	4.9
202.07790	0.7
203.08546	1.0
205.06569	2.2
205.18904	0.6
207.08122	2.4
210.15041	1.2
210.16870	0.9
212.83234	0.6
218.07277	3.5
219.08047	21.5
220.08395	1.2
221.06042	0.5
229.06430	0.9
231.08063	1.1
233.05989	1.2
234.06747	1.0
235.07524	5.0
236.08311	1.2
239.06764	0.5
246.06778	1.7
247.07553	33.4
248.08136	2.5
249.09003	1.0
251.10666	0.8
257.05902	1.1
261.09152	1.2
263.06964	2.7
264.07840	3.8
264.27359	0.7
265.08582	1.9
274.06265	1.6
275.07047	20.4
276.07730	2.0
277.08633	4.6
279.10208	4.1
289.08517	2.4
292.07397	2.5
295.09601	6.4
307.09641	26.2
308.09988	1.9
325.10672	14.3
326.11130	1.0
372.29578	0.6
408.19147	0.8
437.34061	1.8
438.20251	3.0
450.40356	0.8
454.34750	2.0
455.22931	100.0
455.34979	4.7
456.23291	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	456.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.7
56.05029	3.4
60.04518	0.9
62.80668	0.8
67.05521	1.0
69.03426	1.3
69.07067	7.9
69.48206	5.2
70.02974	1.0
70.06590	100.0
71.06920	2.3
72.08154	89.9
73.08472	1.2
81.03400	1.4
81.50346	0.9
83.06103	32.3
84.04501	49.5
84.08137	11.5
85.02905	1.3
86.06098	1.3
86.09704	50.0
87.05591	1.0
88.62539	1.2
95.06097	1.0
96.04481	2.4
98.06078	1.8
101.07135	12.3
102.05521	1.5
110.02405	1.6
110.07163	5.8
112.03964	1.5
113.07145	1.6
114.10276	3.0
116.07092	62.8
118.11298	1.1
119.04989	1.5
120.08104	3.5
121.02866	1.8
125.07126	0.9
125.75681	1.1
127.08707	1.5
127.11243	1.2
128.08252	1.1
129.06598	47.2
129.10223	8.7
131.63033	1.0
136.07602	1.5
138.09204	2.4
141.06590	3.1
141.10225	1.6
141.64212	0.9
147.04379	2.0
147.07695	1.5
152.07106	1.1
152.10660	8.7
155.08214	1.4
155.11790	1.5
160.00638	1.1
163.03902	3.8
164.04239	1.3
169.13351	17.5
170.13673	1.1
181.09671	1.1
182.12903	1.2
183.11304	3.8
183.14917	5.0
185.16565	1.0
196.14452	41.4
197.12852	33.1
197.14615	2.2
198.13237	1.2
200.13959	1.7
210.12259	1.0
211.14455	2.7
214.15497	45.5
215.13907	28.7
215.15837	1.8
216.83705	1.0
224.13916	18.8
224.15903	1.7
225.12332	4.3
228.13423	3.2
229.11981	1.3
229.15474	24.8
230.15703	1.3
242.14983	35.3
243.15240	1.6
260.15909	1.1
269.03329	1.0
278.18616	1.1
279.04297	1.4
295.06033	1.7
296.19531	5.5
307.05988	4.0
308.07184	1.5
309.14529	1.3
310.21347	1.3
321.07666	1.2
323.20767	20.4
324.19012	5.2
325.07047	8.8
328.22058	2.2
337.07050	5.1
341.21802	21.7
341.25516	2.1
343.19797	1.5
351.08618	2.7
379.08127	6.6
391.08038	1.2
396.07025	1.4
409.09125	1.8
421.09042	2.2
438.27173	11.3
439.10168	2.3
456.19382	3.8
456.28476	3.3
457.11020	5.7
457.20422	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	457.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77603	0.8
55.05521	1.1
56.05038	2.0
56.96567	44.4
60.04534	1.2
65.22379	0.7
65.54719	0.7
69.03439	1.6
69.17455	0.7
69.60706	3.7
70.06596	35.8
71.06923	1.4
71.95274	2.3
72.08155	9.9
73.65395	0.7
74.06064	0.9
74.97633	1.0
81.03414	1.7
82.06585	0.7
83.06126	1.9
83.06642	0.8
83.78236	1.0
84.04507	4.2
84.08149	15.1
84.08620	1.2
84.96033	15.9
85.02914	4.1
86.09701	9.1
86.10169	0.9
87.05589	1.1
90.94832	0.7
93.04563	1.0
95.06107	1.7
97.02902	3.2
98.97585	100.0
101.07123	1.5
102.05547	1.3
102.97098	2.1
109.02887	1.0
110.07165	15.4
110.97567	23.4
112.08765	1.5
112.99136	6.7
115.08724	1.5
116.07032	1.8
116.98624	53.5
119.05041	0.7
120.08135	1.9
122.07171	1.5
124.99125	1.8
125.36937	0.8
126.97030	1.6
127.03951	0.8
128.24742	0.7
128.98615	32.3
129.10246	12.2
130.04996	0.9
130.08655	1.0
131.00189	6.1
134.99651	17.9
135.00636	1.3
135.04518	0.8
136.07588	1.3
138.12822	0.7
139.39467	0.7
140.00227	1.0
140.98645	2.6
141.10213	0.9
143.00179	12.2
144.98117	2.7
146.99635	18.6
149.01236	3.5
152.00076	0.8
152.98579	1.2
153.00768	1.1
156.07713	2.7
158.97482	1.2
158.99648	10.2
160.00029	0.7
161.01236	25.6
161.02556	1.7
161.83952	0.8
162.99159	4.4
163.00562	1.2
163.03963	5.3
165.00739	2.5
169.09811	1.0
169.13463	2.0
170.99651	6.7
172.99147	1.2
173.01303	0.8
177.00705	16.8
179.02278	8.7
180.02820	0.8
181.00282	0.7
181.01712	2.8
182.99673	1.8
186.12386	0.9
189.00717	9.0
191.00162	5.6
194.99890	1.6
195.01823	2.8
199.02783	1.2
201.00650	9.5
207.01802	3.8
209.01239	7.5
212.10460	1.1
213.00690	5.3
216.97955	1.1
219.01768	59.0
220.02144	1.2
221.01471	1.0
225.00687	2.1
225.09857	1.9
226.11980	1.2
226.15266	0.8
227.02274	5.2
234.97081	1.1
234.99026	4.8
237.02818	81.9
238.03239	2.1
242.03419	1.6
243.01819	2.6
244.16602	2.3
251.15198	0.8
252.97923	1.6
253.00189	15.4
253.02556	1.4
255.03957	5.8
260.04416	1.7
261.02856	17.9
261.05475	1.3
269.12457	0.9
271.01260	28.7
272.01639	1.1
277.00128	1.0
277.59244	0.9
279.03879	23.5
289.02310	33.3
290.02539	1.1
295.01276	3.3
295.08414	0.9
302.05484	0.8
313.02277	9.1
320.19974	1.2
327.04181	1.2
331.03662	1.9
337.02374	3.7
339.04022	2.5
349.02396	8.1
353.18048	0.8
355.03296	2.8
357.04959	2.7
360.20068	0.9
367.03336	2.8
369.05060	1.1
369.73462	1.9
379.03470	7.8
387.05710	1.0
397.04504	34.3
398.04706	3.2
413.13751	1.2
415.05490	55.4
416.05844	3.6
419.55038	1.1
427.14990	1.9
438.07120	1.7
456.29401	1.4
457.06598	4.8
457.17615	2.9
457.25726	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	457.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84301	0.8
53.03935	1.3
55.05504	0.8
55.65921	0.7
56.05026	3.8
57.03428	1.0
58.02956	1.1
61.02919	1.0
61.83889	0.9
68.05047	1.0
69.03436	3.2
69.07068	2.2
70.06205	1.5
70.06594	30.5
70.75940	1.1
70.76284	0.8
71.06940	1.5
72.04515	1.5
72.07800	1.3
72.08160	12.3
74.02441	2.7
81.03416	3.2
81.07076	1.3
84.04504	4.1
84.08151	6.2
85.02908	9.1
86.09708	36.1
87.04467	1.4
87.10038	2.2
89.06035	1.0
91.05482	16.9
93.07045	3.6
95.04955	0.8
96.04502	2.0
97.02901	2.8
97.06509	1.1
99.04469	0.9
103.05463	2.8
104.05369	1.1
107.04955	15.1
108.05286	0.8
108.08187	1.3
109.02850	0.9
110.06048	1.0
110.07154	3.3
110.09705	1.3
116.07099	2.6
119.04951	11.4
120.08128	3.9
121.06509	58.8
122.06840	1.4
127.03918	2.1
128.10748	3.7
129.10255	2.7
130.06491	1.8
130.08650	3.1
131.04938	1.0
132.08096	2.3
132.10223	4.9
133.06479	2.8
134.06065	1.5
134.94164	0.9
135.04486	1.2
135.06808	10.4
136.07582	85.2
137.07941	1.9
138.05463	1.5
141.10185	1.3
144.06581	1.6
146.05986	1.6
147.04395	1.7
148.07584	3.6
149.05983	7.8
150.09155	15.3
156.07744	1.0
159.08038	2.0
159.09224	1.8
160.07573	23.3
161.09128	0.9
164.10657	0.9
169.13374	1.9
170.06061	2.2
174.11359	4.5
178.08635	100.0
179.08942	3.6
183.11317	1.2
183.14977	1.4
185.16515	2.4
187.07573	2.5
197.12941	0.8
200.13905	2.8
201.14261	1.1
210.11234	3.9
212.12773	0.9
213.08800	1.0
214.08621	2.2
228.13458	4.0
229.15585	2.2
235.11726	0.9
236.12697	1.1
249.15923	1.7
250.14337	1.4
260.30896	0.9
262.10818	1.1
272.15927	1.7
278.13889	3.5
280.11804	2.8
291.17065	4.8
295.16541	20.6
298.12881	0.9
319.16486	2.7
326.54257	0.9
337.06839	1.3
337.17572	51.6
338.17963	3.2
350.67838	1.1
373.17578	14.3
374.17728	0.9
403.18604	1.4
421.19614	2.8
457.10947	1.3
457.19464	7.8
458.23428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.3
57.03428	7.4
57.07067	5.6
62.18747	1.6
65.03940	2.4
67.05181	2.9
67.05510	43.9
69.07072	24.4
71.30452	2.7
75.18362	1.5
75.93125	2.2
79.05489	17.6
79.65800	1.8
81.07059	39.7
83.08635	11.9
85.06548	4.8
85.57983	2.0
89.06040	5.2
91.05485	10.6
93.07055	15.4
95.08604	33.6
97.10166	5.4
100.81513	1.8
105.07038	8.6
107.08602	7.9
109.10142	10.8
110.92819	1.6
111.08057	2.5
119.08596	6.6
120.96642	66.5
121.10140	8.0
123.11722	4.5
133.08597	3.9
133.10147	4.8
134.87854	1.7
135.11707	4.9
137.09695	1.8
138.97733	1.7
147.11649	3.3
161.13213	3.4
163.14877	2.0
175.14914	2.1
178.11424	1.8
193.19150	1.8
195.00331	6.5
213.00191	4.8
256.26404	2.0
265.07239	1.8
319.72635	2.3
337.27368	100.0
338.27621	8.2
346.75598	1.7
359.25595	25.7
439.22043	4.3
457.23154	72.9
457.32867	3.7
458.23627	6.3
458.29825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2325
Annotation	Vindoline
Peak:m/z	Relative Intensity
50.47169	0.5
50.82029	0.4
54.72881	0.6
55.05515	4.7
57.03432	2.0
62.61795	0.5
65.03954	0.6
67.05504	11.8
69.07066	6.6
69.16440	1.9
69.16870	1.7
79.05479	3.2
81.07059	11.7
83.04984	0.6
83.08621	2.4
84.81007	0.5
91.05482	2.2
91.20816	0.5
93.07060	3.6
95.08600	7.9
95.09170	0.7
97.10162	0.9
105.07038	1.3
107.08614	2.3
109.10162	3.2
119.08605	0.8
120.96635	16.0
120.97512	0.8
121.10147	1.2
123.11713	0.9
133.10152	0.9
135.11671	0.8
156.97478	1.3
174.98479	0.9
176.99245	3.1
195.00320	9.5
213.00069	2.0
337.27350	18.9
338.27872	1.1
359.25562	4.4
377.26599	5.3
414.79337	0.6
439.22226	10.1
440.22498	0.7
443.39807	0.6
457.23245	100.0
458.23627	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	457.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
68.05025	0.5
69.07072	0.5
69.68887	1.1
70.02975	0.3
70.06591	100.0
71.06926	1.4
71.65795	0.2
72.08153	2.9
73.02914	0.9
80.43961	0.2
81.07038	0.3
84.04523	0.5
84.08161	1.3
85.03999	0.3
86.09703	17.7
87.10046	0.3
88.04005	1.5
91.05490	0.3
93.07015	0.3
96.08134	1.0
98.02422	0.9
98.09655	0.2
100.03972	1.0
110.07146	0.7
113.10784	0.8
116.07078	1.5
120.08112	0.9
127.03968	0.3
129.10214	0.8
132.10236	0.6
138.09114	1.0
141.10222	2.2
142.08580	0.4
147.04402	0.5
155.11809	0.3
156.07642	0.4
156.10173	2.3
180.01138	0.2
183.11349	1.2
183.14867	1.1
184.09648	0.7
201.12343	11.4
202.12619	0.4
207.42102	0.2
211.14452	0.3
214.11798	0.3
215.13831	0.6
226.15411	0.3
229.11780	3.5
229.15456	62.0
230.15839	2.8
253.13097	0.3
280.16678	0.4
326.16815	0.3
400.00076	0.3
457.18600	0.7
457.23981	1.7
457.30685	0.5
458.30923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35418	1.1
53.03926	1.2
54.46507	1.1
55.01861	2.3
55.05507	10.7
57.03445	3.2
57.07075	4.8
62.90015	1.1
67.05499	11.5
69.03465	1.1
69.07063	8.4
69.09097	12.0
71.04999	1.8
71.08630	1.3
75.38494	1.0
79.05501	7.9
81.07064	16.8
83.04975	4.0
83.08625	3.6
85.06556	2.9
91.05470	6.4
93.07043	11.8
95.04973	2.0
95.08608	13.2
97.06538	7.3
98.23309	2.4
99.08080	1.9
104.55572	1.1
105.06992	7.0
107.08598	12.1
109.06512	11.2
109.10149	6.7
111.04433	21.1
111.08093	4.0
117.07052	1.5
119.08566	7.2
121.10145	6.9
123.08073	18.8
123.11714	2.8
124.05229	1.4
125.05991	20.8
125.09627	1.7
131.08569	3.3
133.10127	5.0
135.08035	9.4
135.11685	7.6
137.05966	19.8
137.09602	2.5
137.13283	1.1
139.07504	1.6
143.08624	1.4
145.10103	7.0
147.07977	1.6
147.11707	3.6
149.09590	3.4
149.13234	2.2
151.07498	1.8
153.12762	4.6
155.14343	1.4
157.38742	1.2
159.11711	2.7
161.09641	1.8
161.13283	2.7
163.11185	4.7
175.11255	2.2
175.14847	2.5
177.12743	1.8
179.10802	1.8
179.14301	26.6
181.12216	11.8
195.12143	1.5
195.13753	6.1
205.15977	1.6
205.41772	1.2
233.19131	1.2
246.56070	1.3
249.18460	2.1
275.20224	1.7
277.17935	4.3
303.26868	1.2
331.26294	13.6
347.26028	2.6
349.27408	4.1
367.24738	1.7
423.31036	100.0
424.31543	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	458.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.2
55.83125	0.4
56.05031	2.8
57.05819	1.2
58.57747	0.4
60.04521	0.9
60.05642	2.0
63.14459	0.5
65.39667	0.5
68.05022	0.5
69.07066	2.2
70.06593	42.9
71.04995	1.8
71.06917	1.7
71.28776	0.4
72.08155	100.0
73.08491	1.5
74.06078	2.7
82.06592	0.5
83.06105	1.9
84.04502	21.2
84.08146	16.3
85.02903	1.0
85.08460	0.8
86.09705	84.3
87.10035	1.1
88.03977	0.6
88.07637	0.5
88.80340	0.5
91.39485	0.5
96.08125	1.1
98.06040	1.1
100.07604	0.7
101.07171	3.6
101.10796	0.6
102.05553	2.3
104.10399	0.5
110.07172	1.4
112.08719	6.4
112.93902	0.5
114.09156	2.9
115.08681	2.0
116.07088	1.6
117.10222	1.0
120.08096	0.7
127.03846	0.5
127.08691	0.6
129.10243	11.4
130.05005	40.0
130.08669	1.1
130.10582	0.6
131.05360	0.7
132.10226	0.8
136.07544	0.7
138.12759	1.1
139.08652	0.6
140.08250	1.0
143.11787	1.1
147.07643	56.0
148.06093	3.3
148.07996	0.8
155.08142	0.6
157.10844	1.3
157.17102	0.5
158.09244	0.5
158.17168	0.6
159.09018	0.5
169.13373	0.7
171.14926	5.9
175.11882	1.0
180.11296	0.7
183.14969	3.2
185.16492	26.6
186.16862	1.0
187.08780	0.6
187.14360	0.6
195.69116	0.5
197.12778	0.8
199.14432	7.7
199.18121	0.7
208.10753	1.2
211.14268	1.0
213.15977	32.7
214.16235	1.1
215.13960	0.7
225.17082	3.6
228.17064	0.8
229.11844	2.8
229.15413	2.4
233.14981	1.0
242.15004	0.5
243.13312	1.0
246.14488	49.4
247.12785	7.1
247.14902	1.2
253.16603	1.4
260.16068	9.4
267.20758	1.8
288.20151	0.5
296.18634	0.6
312.22815	7.4
313.23264	0.5
327.23734	0.5
335.32574	0.5
345.21414	1.0
373.75879	0.5
440.24734	1.4
441.28369	1.3
458.30774	22.4
459.30884	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	458.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06601	0.5
55.05516	4.6
56.05024	1.8
56.74543	0.5
57.05801	0.6
63.81903	0.5
67.05503	0.9
69.03420	1.3
69.07071	5.3
70.02943	0.9
70.06594	23.0
70.44958	1.0
71.04974	0.8
71.06918	1.5
72.08157	39.1
73.02905	0.6
73.08482	0.7
75.05581	0.6
79.05513	0.8
81.03429	0.7
81.07053	0.8
81.47698	0.5
84.04504	2.4
84.08141	5.4
85.02896	0.8
85.04011	1.0
86.09707	100.0
87.05592	3.8
87.10044	3.0
88.03987	1.1
91.05507	0.7
93.07022	1.3
95.04963	0.7
95.08601	0.7
96.08147	2.6
97.02882	1.0
98.02435	2.7
99.04459	0.9
102.05538	1.3
105.07040	0.8
107.08649	0.7
109.02884	0.9
110.07176	0.9
110.09710	1.1
112.08733	1.1
112.11192	0.6
113.10793	0.8
115.05025	1.2
116.07116	2.3
120.08125	3.2
125.06168	0.6
125.07158	0.5
127.03922	1.1
127.08733	1.3
128.43474	0.5
129.06630	0.6
129.10251	3.6
130.06526	1.6
130.08630	0.5
132.08093	0.9
132.10205	0.8
136.07545	1.2
138.09142	2.1
141.10220	7.7
142.08646	1.0
143.11800	9.3
144.06624	0.9
145.04951	0.8
155.04250	1.2
155.11790	8.2
159.09235	2.5
162.07643	1.0
169.09689	0.6
169.13377	0.8
170.06065	1.6
171.11302	4.9
175.10799	1.2
182.12961	0.6
183.11305	5.9
183.14992	0.9
185.12914	1.6
185.16476	4.3
186.12364	1.0
187.10806	2.3
195.14937	1.0
197.12846	0.9
199.06958	1.8
199.18095	1.8
200.13948	27.7
201.12372	2.5
201.14223	0.6
211.10683	0.6
213.15974	3.3
214.11850	1.5
215.10315	1.2
215.13922	1.5
217.15508	1.1
225.17213	0.7
227.17601	1.6
228.13432	17.3
229.11830	2.8
229.15530	1.4
231.17068	6.9
233.15094	0.5
239.17499	1.5
242.15025	0.7
243.13405	0.8
245.18559	1.3
256.16684	0.6
268.12604	1.2
270.18106	1.2
272.16205	0.9
275.15793	1.3
284.19714	7.7
288.19165	0.9
289.68362	0.6
296.18549	9.5
312.15234	2.3
327.20233	5.4
328.18622	0.7
338.19034	0.7
355.26862	1.2
383.26669	1.2
407.89679	0.6
458.19095	2.7
458.23859	8.8
458.30917	3.6
458.39160	1.1
459.21982	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	458.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48045	0.3
52.50335	0.4
55.05512	2.3
56.05032	1.4
57.05823	0.5
58.06586	0.6
60.04523	0.6
60.05648	6.6
68.05029	0.8
69.07069	3.9
70.02958	0.4
70.06590	100.0
71.04996	5.2
71.06921	3.0
71.29852	0.5
72.08153	24.3
73.08480	0.4
74.06063	2.4
75.05600	0.7
76.40637	0.4
82.06579	0.5
83.06130	1.8
84.04498	6.9
84.08141	9.1
84.08626	0.8
85.02903	0.6
85.07653	0.7
85.29996	0.4
86.09704	45.3
87.05602	0.5
87.10044	0.6
88.07639	2.1
88.43552	0.3
91.05487	0.5
95.06088	1.3
96.08143	0.6
97.02879	0.4
97.07668	1.4
98.06053	3.6
101.07143	1.3
102.05544	0.8
110.07167	8.5
111.06814	0.5
111.07509	1.8
112.08729	23.7
113.07158	0.7
114.09164	1.5
115.08685	5.6
116.07084	3.0
119.04919	0.8
120.08121	3.9
121.08456	2.0
124.11270	0.6
127.08691	1.0
129.06606	0.9
129.10217	5.8
130.05009	6.7
132.10168	0.9
133.06029	0.6
136.07585	3.1
138.06642	0.6
138.12769	1.5
139.43823	0.4
140.08183	4.5
141.10211	0.9
143.11829	1.0
147.07637	9.9
152.08223	0.4
155.08156	0.7
156.07674	5.7
157.07997	1.7
157.09636	0.6
157.10863	7.5
161.09245	0.8
166.12236	0.5
168.14949	0.5
169.13347	3.0
171.11282	1.0
173.09222	0.9
175.11906	1.5
177.10249	0.6
182.16473	1.8
183.14912	6.1
185.16470	6.0
187.10789	0.6
188.91702	0.4
189.12355	1.4
193.09720	1.0
194.12914	0.8
196.14452	1.3
197.12843	1.2
198.08736	0.6
199.18152	0.9
200.13902	0.6
201.12294	0.4
203.10278	0.8
203.13884	0.4
210.16023	0.9
211.15640	8.6
213.15973	7.9
215.13922	1.0
217.11884	1.9
217.27953	0.4
221.09268	0.4
221.16670	0.4
225.17079	15.0
227.17538	0.6
228.13512	0.7
228.18274	0.8
229.11823	0.9
229.15469	1.2
235.11937	2.2
236.12166	2.2
239.10266	0.7
239.14996	1.0
242.19749	2.0
243.13301	0.5
245.11317	0.5
246.11813	0.9
246.14470	11.3
247.14986	0.4
250.11859	0.5
253.12982	4.3
253.16594	2.6
254.13280	4.4
254.97957	0.6
256.17694	0.5
257.43719	0.4
268.16525	0.4
270.19217	0.5
274.18115	0.4
288.20215	0.5
312.19427	0.6
312.22800	1.4
326.16946	0.5
327.20612	0.5
328.19766	1.7
338.25632	0.6
343.19733	0.5
345.22415	3.9
355.28140	1.1
370.71539	0.4
383.27765	0.7
441.28189	5.7
458.30814	87.8
459.25366	0.6
459.31189	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	458.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
57.03436	6.8
61.02922	12.4
67.05512	32.3
69.03432	24.2
69.68896	16.0
71.04981	4.6
73.02924	7.3
81.03431	10.0
81.07066	33.3
85.02905	100.0
91.03963	5.8
93.07043	6.3
95.08601	23.7
97.02895	31.7
99.04471	3.7
103.44045	3.9
107.08584	4.3
109.02863	10.9
109.10170	17.0
123.11720	9.5
127.03920	18.8
145.04944	31.4
163.05963	5.6
180.08656	29.0
272.22107	3.5
279.23212	11.8
309.25208	4.0
413.30392	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	458.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.2
55.01887	9.1
55.05510	6.4
57.03438	6.4
57.07085	9.8
67.05507	26.9
69.03440	16.4
69.07068	4.9
69.33376	8.0
71.04995	5.4
71.08632	7.2
73.02911	5.3
79.05494	15.6
81.03418	18.2
81.07060	27.3
83.04998	1.8
83.08625	4.6
85.02917	6.3
85.10192	3.2
87.23736	1.4
91.05469	9.3
93.07042	18.3
95.08614	27.8
97.02892	21.1
97.10190	1.9
99.04457	30.9
105.07040	6.5
107.08595	10.0
109.02878	21.3
109.03571	1.7
109.10159	14.7
111.04467	4.0
117.07027	2.3
119.08597	4.8
121.10120	9.9
123.11679	7.4
126.28286	1.5
127.03925	48.2
128.04256	1.7
131.08578	5.0
133.10136	3.7
135.11737	3.4
145.04974	9.1
145.10100	4.4
146.98198	20.2
147.11763	2.0
149.13258	4.4
152.17357	1.5
159.11729	4.4
161.13292	4.2
163.14828	1.8
173.13304	3.3
187.14867	2.3
196.33015	1.6
201.00000	1.7
243.21210	2.2
244.98232	1.6
259.20612	2.5
261.22153	10.6
277.21600	2.8
279.23215	2.4
313.27295	8.8
338.27771	3.3
361.79572	1.7
369.24200	2.3
405.26190	2.9
415.21832	2.0
423.27499	6.3
459.24838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.3
56.05031	3.5
57.05808	0.5
57.07093	0.6
58.06594	0.7
59.05009	2.2
67.05496	1.2
69.03419	1.5
69.07066	7.0
70.06586	4.9
70.70229	0.7
70.70573	0.5
72.08160	5.2
74.06081	7.0
79.05499	0.9
81.03429	0.7
81.07048	1.4
83.04998	0.6
84.04508	2.0
84.08145	2.7
85.02917	2.2
86.09705	100.0
87.04465	1.5
87.10033	2.1
89.06027	1.8
91.05486	0.9
93.07040	1.0
94.60073	0.4
95.04980	0.4
95.08624	1.3
96.04514	0.4
97.02902	1.0
98.06053	1.1
99.04446	0.5
101.07125	0.7
102.01966	0.4
102.05573	0.7
103.03965	1.0
103.07582	3.5
105.07031	0.6
107.07074	1.4
107.08591	0.9
108.73895	0.5
108.74670	0.4
109.02868	0.8
109.10153	0.6
110.07162	0.9
111.08119	0.4
112.08688	0.6
112.51149	0.4
116.07085	1.2
119.07056	1.6
119.08546	0.6
120.08134	0.9
121.10177	0.5
123.11658	0.4
125.91793	0.4
126.05510	5.8
127.03928	2.0
129.10240	1.8
131.08565	0.6
132.10220	1.7
133.10129	0.9
135.08070	0.4
135.11734	0.7
136.58862	0.4
137.06033	0.8
141.10294	0.6
142.12338	0.5
143.08568	0.5
144.06573	0.6
145.04945	1.1
146.11786	0.7
151.07632	0.7
152.10704	0.6
153.06572	1.9
155.08249	0.4
157.10027	0.5
157.13365	6.7
159.11746	0.4
163.13306	1.8
169.67293	0.4
173.09323	0.5
185.12898	2.9
187.14420	3.1
197.09209	10.4
197.12959	1.0
201.08760	0.5
203.14000	1.1
215.10297	5.7
215.13963	1.5
239.13911	3.8
245.18590	4.9
257.15036	2.3
268.16653	0.5
280.26343	0.6
286.17612	1.1
297.16901	0.7
298.27362	0.7
300.19168	5.9
328.18637	3.7
336.10648	0.5
348.30118	0.4
397.24338	0.5
459.16779	0.8
459.21991	1.4
459.31635	0.9
460.32516	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.8
56.05038	1.1
57.05811	0.9
60.24595	0.3
61.01158	0.7
69.07069	2.0
70.02943	0.7
70.06596	2.4
70.64424	0.7
70.64770	0.5
71.07381	0.3
72.08157	50.6
73.02918	0.5
73.08488	0.8
74.06075	0.4
79.05484	0.4
81.03384	0.4
81.07027	0.4
82.06565	0.6
84.04530	0.8
84.08146	1.3
85.04046	0.5
86.09706	100.0
87.10024	2.0
88.03977	2.8
94.89443	0.3
96.08149	0.8
97.02916	0.5
98.02437	0.6
98.06038	0.7
98.09687	0.4
100.03966	0.8
102.05526	0.6
104.05270	0.3
110.07155	0.7
114.09152	0.6
116.03416	0.3
120.08085	1.4
124.07576	1.0
127.03896	0.5
127.08694	1.2
129.10222	0.5
132.10187	2.0
138.09103	0.8
141.10234	2.4
142.08621	2.7
143.11800	0.8
146.06316	0.7
156.10207	2.3
169.09755	4.0
183.11339	1.6
184.09642	0.9
185.16550	0.4
187.10774	12.0
188.11043	0.4
199.18040	0.9
201.12341	15.2
202.12625	0.4
215.10271	14.2
215.13841	1.4
216.10504	0.6
216.84067	0.4
217.15437	1.0
227.17432	0.5
229.09694	0.5
229.11829	7.4
230.12173	0.4
231.17041	2.8
243.13332	1.3
245.18617	16.1
246.18880	0.6
282.15240	0.3
282.17947	1.6
283.16403	0.5
300.19101	1.3
308.48596	0.3
317.57809	0.3
328.18655	5.1
339.13669	0.4
360.21265	0.7
395.26315	0.9
441.27432	0.3
459.21329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.05030	0.7
58.06578	0.3
62.48644	0.2
63.66208	0.2
65.39374	0.2
66.69233	0.2
67.05517	0.3
67.58268	0.2
67.60801	0.2
67.61288	0.2
67.95992	0.2
69.03446	0.3
69.07072	2.8
70.06204	0.3
70.06594	5.3
70.95769	0.3
71.06940	0.4
72.08156	3.5
73.08472	0.4
74.06087	0.7
79.05500	0.3
81.07040	0.5
84.04504	0.8
84.08154	1.6
85.02916	0.4
86.09708	100.0
87.10025	1.9
91.05444	0.2
95.08588	0.3
97.06501	0.2
99.04496	0.4
102.05538	0.7
103.03943	0.3
103.22306	0.2
104.05359	0.3
105.07045	0.3
107.08624	0.5
109.10174	0.3
110.07184	0.3
112.08746	0.3
114.09190	0.4
116.07034	0.2
118.88656	0.2
120.06589	1.6
120.08112	0.6
127.03920	0.7
128.25142	0.2
129.10246	1.1
130.05028	1.1
131.04950	0.4
132.10281	0.3
133.62802	0.2
135.11751	0.3
145.05057	0.2
157.13412	0.6
159.09169	0.3
162.07669	0.4
166.08574	0.3
169.13345	0.4
177.02449	0.3
185.16455	0.7
187.06006	0.2
197.12955	0.2
199.18063	20.6
200.18427	0.7
201.12514	0.2
213.16010	0.4
215.13934	6.0
215.15904	0.4
216.14383	0.3
217.13556	0.3
225.89172	0.2
227.17551	20.0
228.17874	0.9
233.14975	15.2
234.15295	0.5
272.16019	0.3
275.16177	0.5
280.22815	0.7
295.23801	0.3
298.23712	2.7
328.22284	0.4
340.19980	0.4
340.25937	1.7
441.30627	0.8
459.16873	0.3
459.22122	0.9
459.31769	0.3
460.29230	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	460.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.8
56.05043	2.6
57.05831	0.7
58.06603	1.0
58.70528	0.5
60.04531	0.8
64.34147	0.5
64.59194	0.5
69.07072	2.7
69.22079	2.9
70.02944	0.9
70.06597	5.4
72.08157	100.0
72.54414	0.5
73.08488	1.5
74.06089	2.3
82.06583	1.0
83.06093	3.0
84.04511	7.8
84.08147	16.7
85.02901	0.9
86.09708	32.1
87.10028	0.8
88.03984	3.3
96.08123	0.8
97.02889	0.5
98.09721	0.4
99.09253	0.6
100.07645	0.6
101.07137	2.1
102.05554	2.0
110.07233	0.6
110.09625	0.7
110.78668	0.5
111.09221	0.6
111.44495	0.5
115.08709	0.7
118.08677	0.7
120.06599	1.1
124.07616	0.7
127.08698	3.4
128.07082	0.6
128.10710	0.6
129.06624	3.2
129.10243	57.6
130.05038	3.3
130.10605	1.4
136.07542	1.1
138.09120	0.7
141.10217	1.1
142.08621	4.1
143.08173	0.7
143.11797	7.2
144.10092	0.5
147.07629	4.9
152.07092	1.8
152.10733	0.9
155.08186	0.5
157.09731	17.2
157.13327	5.9
169.09789	1.7
169.13377	0.7
169.84682	0.5
170.08179	0.8
171.11287	13.9
173.12843	3.5
179.46988	0.5
183.11349	1.0
183.14963	1.5
185.12848	2.6
187.10774	22.4
187.14441	1.4
188.11179	1.0
189.12297	4.2
196.14398	3.6
197.12874	2.8
200.13986	0.6
201.12323	3.3
211.14435	0.7
213.16032	0.5
214.15482	3.0
215.10278	12.4
215.13719	0.9
216.10536	0.6
219.13380	2.7
224.14003	1.0
228.13593	0.6
242.14996	12.2
243.13393	0.7
246.14616	0.8
256.16461	1.0
260.16141	2.9
260.19916	0.6
272.12418	31.7
273.09930	0.6
273.12875	1.6
280.19156	1.0
298.20102	0.9
304.14996	1.2
314.20660	0.5
323.20853	0.8
325.18753	0.6
327.23962	3.9
341.21912	0.7
343.19733	7.6
355.23254	1.0
371.19247	3.1
442.22382	0.7
442.27426	0.9
460.25830	1.6
460.31958	3.5
481.54224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.0
56.05028	8.5
57.03426	0.9
57.05820	1.2
57.35605	0.8
58.06607	4.2
60.04515	2.1
69.03442	1.4
69.07047	4.8
69.58906	1.7
69.59311	2.4
70.06593	16.6
71.06939	1.5
71.07368	0.8
72.08159	89.1
73.04046	1.7
73.08501	1.0
74.06079	14.8
83.06115	2.6
84.04507	33.9
84.08147	28.4
85.02911	2.2
85.08488	1.1
86.09707	100.0
87.05582	1.4
87.10049	1.7
88.03992	2.9
91.05489	1.1
93.07034	1.2
95.04969	0.8
95.06115	0.8
96.08141	1.5
97.06570	1.0
97.70023	0.8
101.07136	19.3
102.05546	9.4
110.07145	2.4
110.09657	4.0
112.07584	1.5
112.11188	2.0
115.08710	1.2
116.07098	1.2
119.04931	0.8
120.06593	1.8
127.08719	3.1
128.10715	10.0
129.06613	3.5
129.10240	44.0
130.05005	38.0
130.08626	0.9
130.10582	1.0
131.11815	3.6
132.10188	1.1
133.06084	1.2
134.31877	0.8
136.07613	3.0
138.09167	0.9
141.06578	1.0
141.10179	1.1
142.08670	3.3
143.11842	2.7
144.06552	2.2
144.10207	0.9
147.04445	2.4
147.07651	56.0
147.11331	1.3
148.06105	1.4
148.08000	0.8
152.07031	1.0
155.08147	1.6
155.11777	1.5
157.09753	9.7
162.07675	2.3
169.09750	2.2
171.11304	3.9
173.09279	2.4
173.12854	47.1
174.13292	1.6
175.07042	0.9
183.11255	2.7
185.09363	1.6
185.12866	0.9
186.12384	1.5
187.07213	1.5
187.10782	13.2
187.14351	3.8
189.12363	1.7
196.14500	2.0
197.12878	3.2
199.18016	1.2
200.14052	1.1
201.08702	3.0
201.12340	34.9
202.12833	1.7
213.08839	0.9
214.15558	1.4
215.10315	7.4
215.13911	5.2
217.11757	1.4
219.13411	2.0
223.88216	0.9
224.13992	1.1
225.12621	1.8
227.17575	1.2
228.13527	1.6
229.11786	1.5
238.18973	0.8
242.14946	7.3
242.18712	1.2
243.13361	8.2
246.14499	3.9
247.12897	1.4
256.16534	0.9
260.16046	48.0
261.14325	2.0
269.18542	1.2
272.12418	15.2
280.19055	2.8
298.20160	2.5
314.20706	5.9
323.20425	0.8
327.23770	1.0
341.21844	1.1
343.19727	3.7
350.35007	0.9
371.19330	0.9
396.83566	0.9
442.22717	1.2
460.24826	4.3
460.31216	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	460.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.3
56.05034	3.1
57.05820	1.2
58.06610	1.1
69.07065	2.9
69.20251	4.0
70.02958	0.7
70.06602	4.2
71.06939	0.6
72.08159	100.0
73.08488	1.1
74.06079	2.3
79.50658	0.5
83.06112	5.3
84.04504	11.4
84.04971	0.9
84.08147	16.3
85.02960	0.6
85.08479	0.8
86.09708	46.5
87.10048	0.8
88.04006	2.4
93.07067	0.6
93.86255	0.6
96.08185	0.8
101.07162	2.2
101.10784	0.7
102.05577	1.0
105.95139	0.5
110.07198	1.2
111.09206	0.5
114.09209	0.6
115.08727	0.9
120.06598	2.0
127.08697	2.0
128.10741	0.6
129.06601	6.2
129.10243	41.0
130.04976	3.0
142.08646	2.6
143.08182	1.0
143.11795	12.8
147.07648	3.5
152.07095	1.0
152.10739	1.3
157.09743	13.4
157.11047	0.7
157.13361	10.4
169.09796	1.5
169.13396	2.2
170.08159	0.7
171.11292	26.0
172.11716	1.1
173.12918	2.4
183.11270	1.4
183.14963	1.3
185.12878	6.3
187.10777	15.8
187.12498	1.0
187.14386	1.2
189.12398	2.1
196.14468	6.8
197.12849	5.8
200.14009	0.9
201.12328	3.8
211.14598	0.7
213.16043	0.6
214.15546	6.8
215.10284	8.3
215.11978	0.6
215.13841	0.9
219.13362	6.5
224.13976	2.8
225.12305	1.0
230.14978	0.8
242.14998	28.6
243.15445	1.2
246.14586	1.2
256.16547	1.2
258.11139	0.7
260.16095	1.9
262.17917	0.5
272.12418	23.9
273.12814	1.3
280.19144	0.9
290.17245	1.0
290.21396	0.5
296.19632	0.6
304.15308	0.8
323.20917	1.6
324.19186	1.3
325.18744	0.8
327.23920	8.5
328.24475	0.7
341.21948	1.1
343.19748	6.0
355.23450	3.8
371.19290	2.9
442.26730	2.7
460.25259	1.0
460.31870	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.2
56.05035	5.7
57.05811	1.2
58.06591	1.5
60.04519	0.8
69.03430	0.6
69.07072	2.3
69.79796	1.7
70.06594	6.3
72.08158	77.1
72.52386	0.6
73.08493	1.5
73.93313	0.6
74.06085	6.2
82.06589	1.7
83.06107	6.0
84.04506	14.3
84.08147	100.0
85.02901	0.6
85.08472	2.8
86.09708	42.9
87.05585	0.8
87.10080	1.1
88.04023	2.7
91.05502	0.7
93.07054	0.9
96.08157	1.0
98.02455	0.6
101.07133	3.3
101.10776	3.2
102.05549	3.4
110.07188	2.0
110.09602	0.6
111.09237	1.4
112.07632	0.8
112.08743	0.8
116.07092	1.2
118.08713	0.5
120.06603	5.3
124.11286	0.6
127.08721	2.2
127.12299	0.5
128.10735	1.2
129.06590	5.4
129.10245	75.1
130.05025	1.5
130.10596	1.9
132.10207	0.9
138.09138	0.5
139.08701	1.2
140.10760	0.6
140.20029	0.5
141.06630	0.6
141.10248	1.1
142.08656	2.1
143.11806	5.2
144.06586	1.0
144.10229	2.2
147.07718	1.7
147.11314	1.1
151.08704	2.4
152.07124	1.2
152.10716	1.4
152.14401	0.7
153.10298	0.7
155.08153	1.2
155.11818	1.2
156.07745	0.7
157.09740	7.6
157.13385	4.1
159.11333	0.9
161.12892	1.2
162.07654	1.2
166.08667	0.6
168.11359	0.9
169.09747	1.6
169.13408	1.5
171.11282	9.0
173.09390	0.7
173.12836	6.9
183.11389	1.8
183.15015	2.8
185.12787	2.6
186.12509	0.8
187.10780	10.2
189.12415	2.3
194.12956	0.8
195.11346	0.8
196.14479	4.4
197.12875	4.8
197.16597	2.3
199.18190	0.8
200.14050	0.9
201.08749	1.2
201.12355	5.6
212.14041	2.0
213.12534	0.9
214.15494	4.7
215.10269	5.5
215.13930	0.9
219.13498	2.2
224.14041	2.2
225.12473	0.8
226.11916	0.9
229.11943	0.9
230.15009	5.7
231.17159	1.9
233.14926	0.7
242.12543	1.0
242.14980	9.9
242.18745	1.1
246.14517	1.0
256.16779	1.2
260.19766	0.7
261.14648	0.6
264.46384	0.5
267.18335	1.1
272.12433	14.9
272.15512	0.8
274.10507	0.6
274.21423	1.6
280.19333	2.1
285.19379	1.7
293.19965	0.8
296.19672	1.0
298.20447	1.1
301.22641	0.7
311.21021	1.7
314.21051	0.8
323.20966	1.4
324.19513	0.9
327.23843	3.1
329.21863	3.5
332.21912	0.9
338.24329	0.7
341.21817	0.8
343.19769	4.7
343.69717	1.0
344.19763	1.0
347.23187	1.1
355.27374	1.3
371.19540	1.8
442.25635	0.7
442.31024	1.3
459.77045	0.6
460.26370	2.9
460.31656	26.7
461.31842	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	460.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.9
56.05032	4.4
56.96544	0.6
58.06587	0.4
60.04507	0.4
67.05491	0.8
69.03423	0.8
69.07059	1.2
70.02951	0.5
70.06593	7.7
71.04995	0.3
71.06908	0.6
71.29171	0.5
72.08155	32.8
73.08475	1.0
74.06079	2.5
81.03388	0.4
82.06570	1.4
83.04966	0.3
83.06107	1.1
84.03988	0.3
84.04507	12.6
84.08142	100.0
85.02896	1.1
85.04017	0.5
85.04850	0.4
85.06547	0.6
85.08483	1.8
86.09703	34.3
87.05595	0.7
87.10029	0.4
87.96959	0.3
88.03990	0.8
95.06062	0.5
96.08128	1.3
97.02905	0.6
97.07620	0.3
98.02424	0.4
98.09661	0.3
98.97575	0.3
101.07141	1.0
101.10775	5.3
102.05531	3.8
107.39742	0.3
109.90359	0.3
110.05981	0.4
110.07161	1.0
111.09182	1.4
112.07608	0.8
112.08722	1.0
113.07108	0.7
113.10764	0.5
114.05524	0.3
115.05038	0.5
116.07085	0.5
120.06566	1.1
124.07639	0.3
125.07126	0.3
126.12762	0.5
127.05069	0.3
127.08667	1.5
128.10722	0.7
128.69337	0.3
129.06589	1.0
129.10236	58.5
130.04993	3.5
130.08658	1.4
130.10609	1.5
133.06082	0.7
136.07581	1.4
138.09198	0.3
139.03946	0.4
139.08626	0.3
141.06593	0.7
141.10202	1.4
143.08145	0.6
143.11813	0.7
143.61868	0.4
147.04436	1.1
147.07635	0.7
147.11288	0.7
148.06029	2.1
152.07068	0.4
152.14363	2.8
155.08139	0.9
155.11836	0.4
157.09732	0.7
157.13356	5.0
163.03918	0.4
167.08182	0.3
169.09732	0.8
171.11278	0.6
173.09236	0.7
173.12900	1.3
179.15509	0.5
183.11250	0.6
183.14932	5.4
185.12839	3.5
185.13994	0.3
185.16493	3.8
186.12399	0.8
187.10803	1.2
187.14398	0.6
195.14958	0.6
197.10448	0.3
197.12956	0.7
197.16483	6.0
198.08827	0.4
200.10229	0.5
200.13974	0.5
201.08701	1.0
201.12344	2.5
208.06088	1.2
213.15910	3.1
214.11951	1.3
214.19186	0.9
215.10321	0.5
215.13966	1.2
217.11919	0.3
219.13374	2.9
222.15982	0.4
224.17567	3.7
225.16028	1.1
228.17029	0.4
229.11778	0.4
231.06081	0.5
231.09715	0.4
240.13434	0.7
241.08107	1.9
242.14925	0.5
242.18634	5.9
243.13370	0.5
247.12900	1.0
248.08792	1.0
255.11029	0.4
256.16666	0.4
258.10861	0.4
258.14664	0.7
259.09235	4.9
259.11743	0.5
260.16196	0.3
260.19763	0.8
261.14487	0.9
272.12421	1.1
276.15494	0.5
277.10165	1.6
278.22214	0.5
298.09259	0.8
306.21799	0.9
313.18790	0.4
313.25995	1.3
314.17126	0.5
323.24417	3.1
324.22867	1.2
332.18103	0.3
332.21710	0.7
341.25470	7.5
359.26636	0.6
368.19357	0.4
435.04514	0.3
442.23364	0.3
442.30405	1.7
443.29297	0.4
460.09619	0.6
460.25638	2.3
460.31396	30.2
461.26038	0.5
461.31952	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	460.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05504	10.6
57.03431	7.8
57.07059	6.1
61.02926	14.8
67.05499	13.6
69.03430	28.6
69.07063	13.1
71.31517	6.7
73.02908	6.2
79.05486	6.9
81.03416	9.9
81.07073	16.9
82.07368	4.2
83.08621	10.1
85.02901	100.0
88.02930	3.3
91.03918	3.9
91.05489	6.2
93.07057	6.6
95.08599	12.2
97.02878	30.1
97.10170	8.8
99.04425	4.4
102.83197	3.5
105.07034	5.6
107.08598	5.1
109.02890	6.4
109.06524	4.6
109.10149	8.5
119.08588	6.9
120.79301	4.0
123.11720	7.2
127.03923	14.3
145.04945	32.7
151.07570	6.5
180.08685	20.0
245.22578	4.1
263.23596	7.2
443.65533	3.2
461.20529	4.1
461.27042	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	461.108
Annotation	Oroxylin A glucoronide
Peak:m/z	Relative Intensity
51.27927	0.3
55.01828	0.3
55.05493	0.7
63.86361	0.3
67.05469	0.9
69.03410	0.3
69.35123	0.5
69.86192	1.6
70.06553	0.9
71.70456	0.3
72.08112	1.3
79.05460	0.5
81.07014	1.3
84.08105	1.2
85.02856	0.3
86.09665	1.1
91.05419	0.5
93.06981	1.0
95.04939	0.4
95.08550	1.3
95.14431	0.4
100.11227	0.7
103.05485	0.3
105.03375	0.6
105.06967	0.6
107.08586	0.8
109.10114	0.8
119.08551	0.6
125.09527	0.4
127.03887	0.6
129.10146	0.4
133.10095	0.4
151.07478	1.1
165.09052	1.0
168.00569	0.5
179.04906	0.7
182.15388	0.5
186.01637	0.3
191.10524	0.5
205.12265	0.6
224.04817	0.3
236.57539	0.4
241.04916	0.6
242.05765	1.6
269.04526	0.8
270.05215	66.6
271.05524	3.7
284.03189	1.0
285.07562	100.0
286.07916	5.8
377.71689	0.4
396.06796	0.4
461.10388	0.5
461.28506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
56.05032	3.3
57.03440	0.7
58.06600	1.3
60.04520	1.3
67.05509	0.5
69.03415	0.8
69.06730	0.5
69.07069	6.7
70.02939	0.7
70.06590	4.0
71.29528	0.4
72.07761	0.3
72.08155	5.2
73.04784	0.4
73.08498	0.4
74.05661	0.6
74.06080	10.5
82.06577	0.4
82.12527	0.3
84.04512	3.8
84.08147	2.4
85.02897	1.0
85.04013	0.8
86.09705	100.0
87.05578	0.5
87.10048	2.5
88.03992	1.9
91.05437	0.4
93.07047	0.3
93.34461	0.3
93.81898	0.3
97.02885	0.7
97.25802	0.3
98.02408	0.4
98.06057	0.4
100.07623	0.5
101.07149	2.9
102.05550	1.1
104.05305	0.4
110.06039	0.7
110.07176	0.7
111.05563	0.5
111.16331	0.3
115.03915	0.6
120.08067	0.6
125.07111	0.3
126.05520	2.7
127.05035	0.9
128.07112	0.4
128.10736	0.3
129.06601	6.3
129.10245	0.6
132.10207	1.2
133.05031	0.5
137.09662	0.3
138.09180	0.3
141.10233	0.9
144.06531	1.9
145.06030	1.4
145.09756	2.0
153.06575	1.6
154.05031	0.7
156.10236	1.8
162.91455	0.3
166.31010	0.3
171.07646	6.6
173.05571	0.7
173.12880	0.8
181.05959	0.4
183.11354	0.4
185.16479	0.4
187.14438	1.9
189.08707	7.2
199.07201	1.0
199.18118	0.3
201.12323	3.9
213.12489	0.5
215.13838	1.6
217.08195	15.8
218.08360	0.5
225.17067	0.3
229.11949	0.9
245.18605	11.0
247.13036	0.4
249.12782	0.5
284.16040	1.5
302.17114	1.3
312.15573	2.1
330.16602	4.0
359.03033	0.4
425.72318	0.4
461.20178	0.8
461.29202	1.3
462.26306	0.5
477.46384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84343	0.7
55.05512	3.7
57.07064	1.0
66.07532	0.8
67.05503	7.8
68.69097	0.6
69.03427	1.7
69.07061	2.8
69.28068	2.0
69.28479	3.0
70.72034	0.7
71.04970	0.8
79.05489	2.3
81.07050	7.4
83.01358	1.5
83.08607	1.4
85.02881	0.8
86.09766	0.9
91.05443	1.9
93.07042	4.5
95.04951	1.6
95.08607	11.4
97.06548	1.1
100.11253	1.0
105.07030	3.1
107.08593	4.0
109.06474	0.9
109.10139	5.7
111.04440	5.2
117.07011	0.9
119.08584	1.7
121.06504	2.6
121.10154	2.6
123.08072	11.7
123.11700	3.5
129.10233	0.8
131.08575	4.6
133.10086	1.2
135.08069	8.2
135.11661	1.7
137.05911	0.8
137.09605	0.9
139.07530	0.7
143.08514	1.0
145.10132	3.1
147.08099	0.9
147.11743	1.1
149.09630	3.5
149.13272	0.9
151.07542	100.0
151.14833	0.9
152.07852	2.6
159.08041	4.1
159.11740	2.1
161.05974	1.0
162.06779	3.0
163.07518	1.6
163.11232	6.1
165.09091	5.1
167.05635	1.0
167.07014	1.4
173.09610	3.5
175.07498	1.3
176.08328	6.1
177.09120	45.3
178.09305	0.9
187.11209	2.0
189.09077	1.0
190.09845	3.8
191.10670	74.9
192.11073	2.5
203.10684	1.9
205.12250	39.8
206.12566	2.1
217.12224	1.0
219.13826	2.6
251.23517	0.9
327.42145	0.7
348.21149	0.7
359.02808	1.5
397.31100	1.1
415.31830	3.7
417.90500	0.7
418.23538	0.7
425.30637	1.0
443.31580	1.0
461.33237	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	461.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.05508	4.0
57.07079	0.7
62.47291	0.4
65.03944	0.4
67.05503	5.9
69.03419	1.5
69.07064	3.0
69.21219	1.0
69.21623	1.9
70.06606	0.8
70.80509	0.4
71.04995	0.6
73.04723	0.4
79.05486	2.4
81.07056	8.1
83.01340	2.3
83.04983	1.4
83.08601	2.1
84.08147	0.6
87.96812	0.3
91.05426	2.6
93.07051	3.8
95.04990	0.8
95.08604	12.2
97.06525	0.5
97.10169	0.7
99.04439	0.5
100.11250	2.0
101.06062	0.5
103.05461	0.4
105.07033	4.4
107.04944	0.7
107.08588	2.3
108.05739	0.6
109.06552	0.4
109.10161	4.3
111.04440	8.4
111.11710	0.5
115.05380	0.6
116.06252	0.5
117.07031	0.5
117.31444	0.3
119.08561	2.3
121.06509	2.6
121.10136	2.0
123.08071	11.3
123.11701	2.1
129.05464	0.5
129.06995	0.7
129.10187	0.5
131.08562	4.2
133.10100	1.0
135.08041	11.3
135.11696	1.7
135.79729	0.3
137.05943	0.7
137.09608	0.9
137.13237	1.1
140.07072	0.5
143.08588	0.7
145.06480	0.6
145.10120	4.4
147.04449	0.4
147.08101	0.7
147.11673	0.7
149.06027	0.5
149.09628	6.2
149.13258	1.1
151.07539	91.8
151.14771	0.6
152.07893	2.9
155.08575	0.4
157.10019	0.4
158.07281	0.9
159.08060	5.8
159.11658	2.7
161.05983	1.5
161.09602	0.9
161.13269	0.5
162.06754	4.3
163.07510	1.7
163.11186	8.0
164.11615	0.5
165.09117	6.2
172.08873	1.1
173.09621	5.3
175.07492	2.1
175.11110	0.8
176.08321	10.0
176.09793	0.8
177.09105	66.7
177.12648	1.5
178.09413	2.2
182.15402	0.5
183.17529	0.5
187.11211	3.3
188.08342	0.7
189.09106	1.5
190.09880	4.5
191.10661	100.0
192.10992	4.1
201.09154	0.5
203.10657	2.2
205.12233	66.9
206.12585	2.9
210.14905	1.3
217.12341	0.6
219.13795	6.0
231.13766	0.5
251.23564	0.5
305.17877	0.4
323.25790	0.7
359.02817	0.7
382.02356	0.4
397.30902	1.2
399.32367	0.4
415.31982	4.2
425.30249	0.7
443.31479	1.3
461.17383	0.6
461.23471	0.9
461.26126	0.5
461.32651	6.4
462.32892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	36.6
57.07079	55.2
59.43526	22.8
67.06371	21.1
67.30547	23.2
69.07064	50.8
72.84109	28.6
81.07066	65.8
83.08627	44.0
91.05488	100.0
95.08629	72.1
98.22679	86.9
98.23366	55.6
99.04446	49.0
107.08603	41.6
109.10199	31.8
121.10179	24.4
130.68806	26.7
137.06009	60.1
173.09686	29.5
183.06506	33.2
212.82903	24.4
277.99689	25.8
370.65414	29.7
401.34470	30.0
419.34900	25.1
461.36172	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82560	7.8
55.05513	42.5
57.07077	73.8
65.36399	7.6
65.43983	7.5
67.05504	24.0
69.07072	71.5
69.50655	36.8
71.04968	11.5
71.08644	50.2
79.05528	11.4
81.07063	100.0
83.05004	13.8
83.08609	41.8
85.10194	29.7
91.05473	15.5
92.38141	8.1
93.07037	22.9
95.08604	84.0
97.10169	26.9
98.23143	29.5
99.04452	20.7
105.07014	14.8
107.08590	24.0
109.06546	22.8
109.10155	34.6
111.04407	14.1
111.11725	13.6
121.10143	16.1
123.11742	22.2
127.03892	24.8
129.07040	9.9
131.08534	11.4
137.05992	99.6
145.10123	20.9
147.08028	8.9
149.13327	10.2
151.07562	22.6
155.08514	11.9
159.11719	30.9
169.10152	9.4
172.08887	17.6
173.09657	73.3
175.11111	16.5
177.09105	10.5
179.06966	8.2
187.11206	55.5
205.12202	26.7
219.13744	9.4
229.12247	9.2
258.85791	8.6
277.28717	8.7
356.17773	8.3
383.33209	49.8
397.34552	9.3
401.34369	42.3
425.34067	10.7
441.34497	10.1
443.35132	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
58.99566	7.6
65.03960	5.2
69.03434	13.7
70.06602	4.5
70.62930	3.5
71.29663	3.7
73.04750	11.4
79.05489	10.2
81.03388	5.6
81.07047	3.2
83.08628	5.6
84.08105	3.7
85.02906	18.3
91.05852	21.3
91.07271	3.0
91.42915	3.6
92.02351	3.3
93.66958	2.9
94.74365	3.4
95.01327	13.9
95.04961	3.1
97.02856	6.1
100.07600	5.5
100.11285	21.8
103.05468	10.0
105.07034	36.5
111.04389	5.3
115.05463	47.1
116.06265	31.1
117.07053	24.7
119.04913	6.5
123.04444	3.8
129.06998	4.2
131.04939	7.1
133.06499	49.9
134.01881	12.9
139.60257	3.0
139.61339	3.0
143.04956	3.3
145.04919	4.2
145.06494	8.2
147.02646	42.6
148.03426	11.3
149.04236	21.5
160.05186	3.5
161.05983	50.7
163.05873	4.0
163.07526	10.5
165.03700	9.0
167.05550	14.8
169.03152	8.3
173.02824	3.9
173.04242	4.7
175.02162	4.6
177.03708	6.5
179.07060	26.7
182.15419	6.4
185.06027	5.0
191.05373	5.9
193.03195	11.0
209.16652	4.5
210.14859	6.6
219.04794	28.2
225.04236	5.0
235.04308	8.7
237.05817	100.0
238.06110	7.4
265.05292	56.2
283.06329	22.1
342.99811	7.7
359.02811	27.9
429.08804	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	462.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
58.99595	12.9
61.02923	6.1
67.05517	5.3
69.03429	48.0
70.06587	17.8
70.07704	12.4
70.08051	9.5
71.04992	6.8
72.08160	7.0
73.04765	25.2
79.05483	17.7
81.03430	12.7
84.08144	7.3
85.02902	62.5
86.09709	13.6
86.99028	14.0
91.04021	6.1
91.05783	47.7
95.01342	20.4
95.04948	6.2
96.94013	4.9
97.01125	8.0
97.02885	17.2
99.00803	7.0
99.04463	5.2
103.05524	9.6
105.00085	8.1
105.07044	62.8
107.04956	9.1
107.08585	5.7
109.02853	8.0
115.05463	53.7
115.24604	5.1
116.06250	13.0
117.07005	27.3
119.04944	8.2
123.04403	6.1
127.02135	6.7
127.03930	10.8
129.24748	4.9
133.06485	69.1
134.01875	15.8
137.02383	10.0
137.04233	8.4
141.03719	4.9
143.04921	6.4
145.05020	12.7
145.06483	9.2
147.02632	30.7
148.03477	10.7
149.04234	17.6
151.07574	5.5
161.05995	98.1
162.06519	4.8
163.07527	14.5
165.03737	9.3
167.05583	26.1
169.03259	10.3
169.68877	5.0
173.02722	12.7
173.04211	12.6
175.02122	14.6
177.03734	6.6
179.07033	100.0
179.08507	8.8
191.05283	6.3
193.03195	22.4
219.04765	19.6
225.04262	9.9
237.05750	54.2
239.95386	5.2
261.92203	5.0
265.05386	15.1
283.06329	32.8
324.25543	6.3
325.92206	5.0
342.99866	6.3
359.02875	40.9
426.17920	5.7
429.08878	19.9
444.28964	7.2
461.35828	5.4
462.30469	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05507	2.8
56.05035	2.0
57.03440	30.2
58.06590	2.6
59.04994	5.4
59.61772	1.0
60.04519	5.0
61.02917	3.7
65.03970	1.3
67.05493	4.1
69.03431	82.5
69.26182	4.6
69.26608	3.8
70.06594	11.3
71.01337	1.5
72.08159	7.7
72.08488	1.5
73.02908	4.2
73.04755	3.2
75.04460	2.6
79.05492	2.0
81.03416	3.3
81.07059	3.9
83.08621	1.5
84.04514	2.2
84.08146	6.8
85.02907	62.1
86.09701	8.6
87.04470	62.0
87.57665	1.2
91.03965	4.1
91.05428	12.4
95.04967	2.3
95.08608	4.0
97.02896	61.6
98.22653	2.5
99.04454	3.0
100.07651	1.6
100.11288	1.3
103.03928	1.8
109.02905	2.0
111.04417	2.0
112.11195	1.3
115.03932	92.7
119.04936	13.6
120.08118	3.8
127.03891	6.5
129.10251	2.3
131.04912	2.2
133.04970	100.0
134.05257	1.9
137.06001	4.9
144.06580	1.6
145.04990	9.2
150.07616	12.7
151.07541	62.5
152.07939	2.0
159.06572	1.7
162.07605	1.7
163.06192	1.6
163.07602	3.8
167.05621	2.7
169.01378	1.3
169.05049	2.2
175.07542	4.3
177.09171	1.7
182.15349	1.3
193.08592	2.7
196.00258	1.4
241.07069	1.2
251.43062	1.6
259.08173	2.8
264.23285	1.8
268.58676	1.4
282.24280	16.5
283.24509	1.7
300.25311	40.1
324.25406	3.0
339.07889	1.3
343.90173	1.2
359.02863	3.3
426.28305	1.6
429.09067	2.2
444.29709	5.7
462.25458	1.7
462.30661	46.0
463.30338	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	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78985	1.9
55.01860	3.3
55.05505	6.5
57.03432	2.4
61.02906	2.1
67.05496	4.5
69.03420	7.6
69.07066	13.0
69.18748	18.7
70.06590	9.2
70.45270	2.0
71.05008	4.3
72.08152	7.4
73.04739	6.5
79.05499	18.9
81.03413	3.2
81.07063	22.2
82.06538	2.3
83.04987	10.1
83.08614	5.8
84.08140	6.8
85.02900	8.2
85.06526	3.1
86.09687	6.5
86.22408	2.2
87.04469	3.1
91.05387	4.2
91.05803	11.1
93.07044	27.9
95.04986	9.2
95.08606	9.2
97.02857	5.3
97.06523	19.8
99.04416	3.4
100.11266	15.8
102.79793	2.4
105.07034	27.4
107.04966	10.2
107.08577	11.4
109.06510	10.0
109.10142	3.0
111.04414	3.0
111.08083	3.2
115.03900	2.6
117.07004	6.9
119.04937	5.1
119.08562	7.2
120.08096	9.1
121.06500	12.0
121.10104	5.2
125.05963	20.5
127.03934	2.9
128.07094	2.7
128.10570	2.3
129.10242	4.7
130.07730	2.6
131.08553	8.2
133.10123	23.3
134.10481	2.7
135.08040	4.8
135.11728	7.3
136.06194	7.8
137.05971	8.8
139.07545	2.2
143.08537	4.2
144.09259	2.1
145.06470	7.0
145.10115	42.1
147.11713	10.3
151.07535	4.1
153.09077	5.2
155.08626	3.4
157.08620	12.4
157.09843	2.6
159.08022	3.9
159.11674	15.4
161.13313	4.3
163.11176	52.4
167.05545	7.0
169.08740	2.3
169.10139	6.0
171.10208	14.1
171.11537	4.0
173.05949	2.5
173.09616	46.0
173.13350	2.1
179.08565	2.4
181.12192	11.0
182.15405	8.0
187.11179	27.4
191.10637	12.9
197.09599	4.3
205.12219	6.9
209.16591	3.1
210.14966	9.7
215.10680	32.2
219.11620	2.3
219.13780	4.1
226.14252	2.4
227.12753	13.6
233.11716	29.8
247.13324	24.1
251.12691	13.1
265.14371	17.9
319.51752	2.2
359.02759	9.5
370.25345	2.3
429.09036	3.8
462.29022	5.5
463.32547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35614	6.5
55.05522	11.6
59.55537	6.3
67.05507	18.0
69.03443	18.6
69.04709	59.0
69.07069	36.7
70.06591	20.1
72.08144	39.1
73.04759	21.8
79.05492	37.8
81.07063	43.4
83.04980	20.0
84.08144	25.0
85.02884	10.8
86.09709	27.9
87.17760	6.6
91.05891	41.0
93.07045	69.7
95.04987	23.2
95.08598	16.6
96.93855	6.4
97.06535	55.0
100.11278	9.5
105.07026	62.2
107.08563	35.5
109.06505	30.9
109.10117	9.0
111.08090	10.9
111.35395	6.5
114.84430	6.1
117.07025	15.3
119.08607	18.1
120.08095	25.0
121.06515	33.0
121.10103	12.3
123.08067	6.9
125.05999	32.0
129.10307	11.8
131.08589	28.7
133.06522	6.6
133.10185	9.3
135.08034	8.6
137.05956	11.3
139.07555	12.2
143.08614	12.9
145.10123	79.4
147.11719	9.7
151.07561	40.7
152.07935	10.7
153.09149	24.9
157.08658	27.5
157.10275	6.7
158.07379	9.2
159.07991	14.0
159.11676	59.8
161.13214	8.4
163.11145	37.2
167.05638	17.7
169.10121	14.9
171.10139	100.0
173.09601	54.1
177.09103	14.9
178.09540	11.5
180.10234	7.9
182.15302	7.0
187.11172	62.6
191.10663	29.6
192.10991	10.7
205.12190	32.2
206.12489	8.2
209.75938	6.2
213.56345	6.8
215.10681	98.9
219.13770	30.9
233.11804	24.1
237.14885	12.0
247.13290	21.4
251.12869	22.0
265.14316	63.6
283.15445	21.3
288.87250	6.3
293.18451	6.9
359.02615	30.2
429.08878	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	462.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05507	1.2
56.05040	1.8
57.03433	1.0
57.05814	0.8
58.06599	4.0
60.04532	0.6
64.56168	0.4
66.12526	0.3
67.05499	0.4
69.03429	1.6
69.07069	1.2
69.31830	2.7
70.06599	7.0
72.08157	100.0
73.04789	0.8
73.07864	0.4
73.08488	2.7
74.06078	2.4
79.05501	3.4
80.04995	0.4
81.03426	0.7
81.05798	1.0
81.07047	1.1
84.04514	2.4
84.08152	2.4
85.02908	1.5
86.09708	7.4
87.10076	1.7
88.04016	0.6
91.05846	0.7
93.07030	0.6
94.06576	1.6
95.04986	0.5
95.08610	1.0
96.08130	23.2
97.02905	1.1
97.06524	1.7
99.52399	0.3
99.96878	0.4
102.05552	1.1
104.05344	0.5
105.07038	0.6
110.07157	0.5
110.09673	0.6
114.09167	63.5
115.09512	1.5
119.08538	0.7
120.08095	1.8
122.09678	0.6
124.11220	2.6
125.05984	0.5
127.03951	0.7
128.10788	0.6
129.06601	0.6
129.10249	1.1
131.08586	0.8
132.10294	0.4
136.07611	0.6
156.10240	0.5
167.05582	0.7
173.13148	0.4
187.10902	0.4
191.14200	0.4
196.85371	0.5
201.12369	0.5
216.14256	1.1
219.13506	0.9
220.13782	0.7
231.09735	0.5
232.10034	0.5
232.17329	0.5
263.14117	0.4
276.13776	0.5
282.20547	3.5
287.32748	0.4
300.18427	1.1
300.21683	30.2
301.22070	1.9
327.17676	0.4
426.24643	0.6
436.57349	0.4
444.25894	4.0
445.25876	0.5
462.26993	66.2
463.17270	0.9
463.27243	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	462.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47346	0.3
56.05032	1.0
57.03446	0.6
57.05816	0.7
58.06634	0.3
67.05498	0.4
69.03441	0.8
69.07076	0.9
69.40865	0.7
69.41260	1.3
70.06592	8.7
70.06960	0.5
72.08157	100.0
73.04779	0.5
73.08492	1.2
79.05479	0.6
81.03405	0.4
81.07092	0.4
84.04518	0.6
84.08154	1.5
85.02918	1.1
86.06074	0.3
86.09707	3.5
87.10059	0.9
89.39906	0.2
91.05476	0.4
93.07056	0.6
95.08619	0.9
96.08129	1.6
97.02893	0.6
97.06551	0.5
98.22629	0.3
99.69933	0.3
100.83712	0.3
106.60921	0.3
107.08625	0.5
109.02879	0.3
110.07200	0.3
114.09178	2.3
116.07084	0.3
119.08586	0.5
120.08115	2.3
124.11224	2.0
125.06055	0.3
126.05038	0.3
129.10246	0.4
131.52356	0.3
133.10162	0.4
143.07082	0.6
167.05600	0.3
171.68839	0.3
173.13182	0.5
201.12453	0.9
215.14026	0.5
217.11812	1.9
219.13609	0.3
220.13852	0.3
229.11844	0.4
282.20676	3.2
288.90292	0.4
294.89014	0.3
300.21692	20.9
301.22064	1.7
444.26010	0.6
462.26978	41.0
463.10611	0.5
463.27213	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	462.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62736	0.2
54.84382	0.2
55.01854	0.2
55.05515	1.8
56.05040	1.1
57.03442	1.6
58.06604	2.8
61.02902	0.4
67.05507	2.4
69.03434	1.3
69.07074	2.3
69.72294	0.2
70.06591	2.4
71.04971	0.4
71.07319	0.2
71.29823	0.3
72.08158	2.5
72.99304	0.2
73.02882	0.3
73.04733	0.4
78.35392	0.2
79.05460	0.7
81.03373	0.7
81.07055	3.6
82.06544	0.2
83.08622	1.0
84.08145	9.2
85.02899	1.8
85.06529	0.4
86.09694	1.8
87.04447	0.4
88.07594	0.6
91.05426	0.4
93.07030	1.0
95.08056	0.3
95.08608	3.7
96.08109	0.4
97.02899	1.0
97.10130	0.6
98.09653	0.8
99.04438	0.3
103.03912	0.3
105.06999	0.5
107.08563	0.6
109.10157	1.7
110.09717	0.2
111.10456	0.2
112.11240	1.3
115.03849	0.2
119.08566	0.5
120.08096	0.5
121.10073	0.4
127.03866	0.8
129.10243	0.3
131.01991	0.2
131.08438	0.2
133.10088	0.6
135.11679	0.4
145.04967	0.3
149.13248	0.3
161.13283	0.5
173.13045	0.2
196.16949	0.2
210.18492	0.4
236.23796	0.3
264.23218	3.1
282.24274	34.3
283.24570	2.1
300.25317	100.0
301.25659	6.4
324.25296	0.4
359.02704	0.5
409.72925	0.2
417.10190	0.2
429.08560	0.3
444.29581	0.7
462.30612	49.0
463.30945	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	462.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12788	0.3
55.05514	1.7
56.05011	1.3
57.03410	1.3
57.07048	0.4
58.06607	3.2
61.02899	0.5
67.05500	2.3
69.03429	1.5
69.07077	2.1
69.16131	1.9
70.06596	3.3
71.04968	0.5
71.07338	0.6
72.08154	2.8
73.02899	0.3
73.04755	0.5
79.05457	1.3
79.05876	0.4
81.03423	0.4
81.07059	4.1
83.08624	1.6
84.04504	0.6
84.08144	9.2
85.02920	1.9
85.06539	0.4
86.09703	3.1
87.04458	0.5
88.07596	0.8
91.05804	0.5
93.06997	1.1
95.08055	0.3
95.08611	4.4
97.02862	1.0
97.08926	0.4
97.10143	0.9
98.09663	0.9
107.08573	0.6
109.02853	0.7
109.10155	1.7
110.09707	0.6
111.08007	0.3
112.11251	1.8
117.43396	0.3
119.08535	0.5
120.08098	0.6
121.10123	0.4
123.11650	0.4
127.03860	0.5
129.10234	0.4
137.09584	0.5
159.44887	0.3
161.13330	0.4
167.05457	0.4
175.02258	0.4
182.08826	0.3
188.07100	0.5
210.18471	0.4
264.23199	3.4
275.70801	0.3
282.24271	31.5
283.24637	1.7
287.05505	0.7
300.25320	100.0
301.25674	7.3
301.28400	0.2
301.29153	0.3
324.25354	0.4
359.02908	0.7
375.76434	0.4
420.14984	0.3
426.28638	0.4
429.08936	0.4
444.29605	1.4
462.30612	52.5
463.30972	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	463.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05036	7.3
57.03424	0.6
57.05803	0.5
57.07072	0.5
58.06602	5.3
60.04527	7.7
61.01149	1.0
67.05505	1.1
69.03434	0.8
69.07066	2.0
69.51060	2.3
70.02949	0.9
70.06593	17.2
71.06905	1.0
72.08157	9.8
73.04758	0.6
73.08488	1.1
74.06081	8.9
75.86748	0.5
79.05495	1.2
81.07059	1.1
82.06594	1.2
84.04507	19.8
84.08142	9.1
85.02901	2.9
85.08457	0.7
86.09708	100.0
87.05600	1.1
87.10010	2.3
88.04001	0.7
91.05810	1.4
93.07055	1.1
95.08593	1.1
96.08135	0.6
97.02902	0.7
98.09720	0.5
101.07151	2.0
102.05547	14.8
104.05328	2.8
107.08604	0.7
110.07163	3.9
110.09683	1.4
112.03986	1.8
112.07616	5.3
112.08720	0.6
112.11217	0.5
113.07173	0.8
114.09142	0.9
115.08705	0.7
116.07069	3.0
120.05722	1.1
120.06586	19.5
120.08015	3.8
122.06032	2.0
124.11192	0.6
126.05519	1.1
127.03915	0.6
127.08685	1.4
128.10712	7.0
129.10243	4.9
129.11076	1.6
130.05037	2.1
130.06543	1.0
130.10580	0.6
132.08078	0.8
133.06119	0.4
134.08086	0.6
136.07590	1.6
139.08676	1.1
140.07069	19.2
141.10175	0.5
142.12259	0.5
143.11810	0.6
144.75114	0.5
146.06038	0.5
150.05510	3.9
154.04997	0.8
155.08165	0.6
157.13379	0.5
158.08134	5.6
158.10004	1.7
159.07755	0.5
159.09218	2.6
167.05672	0.6
167.08163	8.0
168.06686	1.0
169.13365	0.8
173.09244	0.8
173.12906	0.5
175.09056	0.7
185.09216	5.7
187.07173	0.9
187.14439	5.0
189.08757	0.8
195.07632	12.5
197.12894	0.7
201.12373	0.6
203.08527	1.0
203.10318	4.2
203.12210	1.8
213.08704	20.3
213.12154	1.1
214.09044	0.9
215.13925	5.6
217.08214	2.0
230.00281	0.4
231.09760	6.6
231.11768	1.4
233.11346	1.6
233.14958	14.6
234.15262	0.6
237.36293	0.5
261.14401	1.0
265.19885	1.0
266.21155	3.3
279.10074	0.6
280.16571	4.2
282.20718	1.1
283.20944	2.2
284.22134	3.8
296.14880	0.5
298.17606	1.3
300.21729	3.3
301.22003	7.1
302.19928	0.7
302.23242	10.0
308.16095	4.0
316.18759	0.9
326.17096	9.0
327.17453	0.5
344.18204	1.0
360.02643	0.6
427.21484	2.1
430.08636	0.5
445.22610	0.7
463.17014	1.9
463.27594	8.5
464.18497	0.6
464.28790	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	463.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94008	0.2
69.21351	1.6
69.21757	0.7
69.47362	0.4
71.08625	0.3
73.34900	0.3
74.24541	0.2
81.07058	0.6
83.03018	0.3
91.05444	0.3
92.27272	0.3
93.04315	0.3
94.92953	0.3
95.08630	0.4
99.21317	0.3
107.51587	0.3
131.20512	0.3
136.54027	0.3
185.04205	50.4
186.04472	0.8
203.05209	0.3
226.06831	0.7
301.21365	25.7
302.21759	1.5
305.58701	0.4
445.29651	0.4
463.26624	100.0
464.27026	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	463.3029
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
53.32475	0.5
55.05508	1.0
67.05491	1.8
71.30309	0.5
71.30706	0.9
81.07078	1.3
82.58393	0.5
83.04975	1.3
91.05441	0.7
93.07072	0.8
95.08607	0.9
105.07021	0.8
107.08582	0.9
121.10254	0.6
126.00201	0.5
133.10144	0.7
145.10129	0.5
149.13188	0.6
169.04732	0.7
181.00803	0.5
236.45319	0.5
389.26495	0.7
407.10165	1.5
445.29092	0.9
463.30304	100.0
464.30664	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	53.1
56.93890	6.5
57.07074	85.5
67.05497	20.7
69.07075	100.0
69.30179	37.4
71.08637	57.7
73.50443	7.5
79.05491	19.0
81.07055	62.4
83.04971	7.7
83.08626	65.1
85.10182	26.2
91.05460	18.6
93.07035	24.5
95.04955	9.7
95.08602	63.2
97.10151	45.6
98.22565	10.7
98.23164	25.5
105.07016	30.3
107.08598	53.2
109.06532	29.3
109.10149	40.4
109.74220	7.5
111.08092	21.9
111.11728	25.7
119.08595	32.5
121.06459	8.5
121.10162	22.9
123.08063	27.4
123.11717	17.6
125.05994	21.0
125.13298	11.9
131.08560	16.5
133.10146	14.4
135.08051	28.2
135.11681	12.1
137.05984	14.8
137.09610	8.5
137.13351	8.2
145.10141	9.6
147.08113	9.6
147.11626	19.1
149.09589	10.4
149.13272	17.4
151.07527	20.0
157.10167	10.1
159.11687	13.2
161.09612	12.9
161.13255	44.5
165.09125	11.3
167.06924	9.3
173.13365	7.7
175.07605	8.1
175.11151	12.5
177.09100	11.2
181.08667	22.2
184.89801	6.9
189.12758	20.1
189.16382	9.8
217.15790	7.4
235.13074	11.2
237.14810	9.3
262.98947	7.4
289.69022	8.0
357.35281	43.0
375.36249	11.1
399.36221	26.4
403.35733	14.7
417.37433	13.0
427.35852	21.8
445.36923	47.2
447.57187	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	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03948	1.8
55.01841	1.3
55.05518	14.7
57.07079	34.8
67.05504	6.9
69.03426	1.3
69.07072	25.6
70.39458	1.3
70.80865	2.6
71.08635	30.2
71.23970	1.2
79.05499	4.6
81.07062	19.0
83.08624	17.6
85.10176	16.1
88.81359	1.1
91.05488	3.8
92.08545	1.1
93.07055	6.9
95.04978	1.8
95.08610	17.8
96.33913	1.1
97.06535	2.3
97.10175	11.7
99.04440	6.4
99.63445	1.1
105.07024	6.1
107.04968	2.0
107.08601	5.5
109.06530	12.9
109.10158	8.8
111.08089	3.7
111.11729	4.4
119.08591	4.8
119.57189	1.1
121.06512	2.7
121.10157	4.9
123.08086	10.9
123.11710	3.4
125.06002	16.5
125.09658	1.8
125.13293	1.6
127.07555	40.8
127.08450	2.6
131.08595	1.6
133.10106	3.4
135.08069	2.5
135.11739	2.8
137.06012	8.2
137.09641	3.8
139.07547	100.0
140.07901	2.3
145.10103	1.9
147.08102	1.3
147.11670	3.3
149.05971	3.5
149.09636	2.2
149.13264	1.6
151.07521	7.4
151.11200	1.4
157.10152	1.2
159.11711	2.5
161.09637	1.9
161.13278	2.4
163.07579	3.5
163.14795	2.0
165.09109	4.2
167.07057	5.1
175.11250	1.3
175.14864	2.5
177.09138	11.5
179.10719	1.6
187.11234	1.4
191.10806	1.6
193.12241	2.6
247.17007	1.5
249.14929	2.2
277.21875	1.5
301.28943	4.7
301.49783	1.1
319.29977	8.9
347.32983	10.9
373.30991	3.4
399.35971	3.1
403.35406	2.7
412.94043	1.2
417.37277	19.4
418.37967	1.5
427.35376	3.9
445.36786	40.6
446.37161	3.1
463.37891	29.3
464.38107	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	463.378
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03942	1.5
55.05515	12.4
57.07076	31.8
67.05500	6.9
69.07068	22.5
69.10601	6.8
71.08630	23.1
79.05490	6.7
81.07055	20.0
83.04956	1.1
83.08617	14.4
85.10181	12.8
91.05492	4.7
93.07040	7.9
95.04982	1.8
95.08608	13.4
97.02879	1.5
97.06536	3.2
97.10175	9.3
98.23108	3.7
99.04476	4.6
99.11752	0.8
100.18177	0.9
105.07046	5.3
107.04958	1.3
107.08582	5.7
109.06514	10.5
109.10161	6.6
111.04470	0.9
111.08108	3.2
111.11721	5.7
116.74538	0.9
119.08552	4.4
121.06478	1.7
121.10160	3.3
123.08058	10.6
123.11702	3.2
125.05991	12.8
125.09635	2.1
125.13296	2.4
127.07552	49.5
127.14835	1.1
131.08542	2.5
133.10143	2.9
135.08073	3.3
135.11682	2.2
137.05997	3.2
137.09631	3.2
137.13298	1.3
139.07539	100.0
140.07793	2.0
145.10114	1.6
147.11707	2.4
149.05971	4.4
149.09644	2.4
149.13271	1.9
151.07555	6.6
151.11122	1.0
153.09158	2.2
159.11713	0.9
161.13306	2.4
163.07561	2.6
165.09157	2.3
167.07025	5.5
172.16547	0.8
173.09618	1.1
173.13260	1.4
175.11227	0.9
175.14873	1.8
177.09105	13.4
177.12759	1.0
178.11784	1.0
179.10687	1.0
189.12619	1.3
193.12260	1.3
195.10295	1.4
203.14345	2.0
205.12367	1.5
207.13663	1.1
219.13806	1.7
223.13365	1.1
231.13890	1.1
233.15364	0.9
235.16873	1.1
246.93979	0.9
249.14842	1.3
275.20129	1.2
301.28918	5.2
319.29941	14.4
347.33078	17.6
348.33331	1.8
373.30829	5.4
375.36703	1.0
385.34421	1.4
389.37857	1.1
399.36389	3.0
403.35745	2.1
417.37296	15.2
427.35599	3.1
433.51349	1.1
445.36765	40.3
446.37128	3.6
463.37869	28.8
464.38306	1.8
476.30084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68197	11.1
52.75344	12.1
52.86171	11.5
55.01864	13.5
55.05523	16.8
56.09239	10.5
57.90018	11.0
62.47298	11.2
67.05495	19.9
69.07072	28.3
70.06586	35.9
70.88692	15.7
72.08149	44.0
79.05480	30.0
81.07067	26.6
84.08163	27.7
85.89223	11.6
86.09718	48.5
91.05441	27.7
92.37611	12.1
93.07052	21.5
95.04974	22.2
95.08585	20.7
103.24133	10.7
105.07032	29.8
105.69044	11.7
108.08923	12.2
109.06526	11.4
115.05360	11.2
119.08530	23.7
120.08093	79.5
121.10129	13.2
123.08106	15.5
123.11658	15.1
129.07010	28.0
129.10233	19.4
131.08527	11.9
135.02615	22.4
141.06984	16.0
143.08548	13.5
147.02681	18.5
159.09154	14.6
160.07567	38.4
163.02144	17.5
165.00084	17.8
175.02071	20.7
179.01692	22.5
180.99536	24.3
189.00031	38.2
189.07372	16.7
191.01613	36.0
192.99521	22.9
201.05489	13.1
202.08661	49.7
203.01718	23.0
203.05165	12.8
207.01109	40.7
211.00583	100.0
216.99554	70.5
217.06834	15.4
219.01074	13.9
219.11298	20.3
219.14883	14.8
221.02628	20.6
225.02118	20.2
235.00520	82.3
244.99028	32.5
249.02153	36.3
251.07458	15.0
263.00104	98.9
273.05792	14.2
277.01636	16.1
295.02701	83.6
325.03677	15.5
335.00739	11.7
335.09332	23.8
351.08795	22.8
363.09030	18.7
365.10577	13.8
379.08279	19.8
402.26205	21.9
411.10944	15.9
464.27698	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05506	10.0
67.05508	19.0
67.73582	1.4
69.07063	4.4
70.34386	4.9
77.03973	1.5
79.05492	14.9
81.07056	28.3
83.08626	3.8
85.06535	3.2
91.05469	14.7
93.07047	24.0
95.08604	25.4
105.07027	23.6
107.08595	27.6
108.01180	9.7
109.06533	2.2
109.10155	16.1
117.07015	3.9
119.08582	22.8
121.10154	20.2
123.08089	2.2
123.11723	3.9
126.02211	100.0
128.37291	1.5
131.08586	8.5
133.10130	24.5
134.10420	1.9
135.11681	19.7
135.12552	2.0
137.09628	3.8
143.08580	3.2
144.46555	1.6
145.10118	16.9
145.53639	1.6
147.11694	17.9
149.09634	2.6
149.13298	10.4
151.25777	1.7
157.10098	3.7
159.11668	16.4
161.09653	2.4
161.13228	16.6
163.11176	4.8
163.14877	5.0
169.10126	3.2
171.11630	2.3
173.13293	6.1
175.11230	4.1
175.14818	15.0
177.12686	7.5
185.13280	6.1
187.11281	1.9
187.14851	7.0
189.12810	2.4
189.16422	8.3
191.14378	3.1
197.13300	2.4
199.14902	4.5
201.16382	25.8
203.14273	3.0
203.18025	2.8
208.06357	20.0
211.14795	5.0
213.16428	4.7
215.17963	23.7
217.19397	1.6
225.16447	1.9
227.18098	2.4
229.15802	4.2
229.19501	3.1
239.17992	2.4
243.17432	3.6
243.21075	5.2
243.65288	1.7
257.18976	3.6
260.09637	1.8
262.10965	4.4
274.11243	2.2
276.12848	2.1
288.12634	6.1
300.12613	3.0
302.14221	5.4
314.14178	3.8
316.15726	2.5
321.25760	12.2
328.15851	2.9
333.17386	4.2
339.26840	28.5
342.17380	3.2
354.17175	3.2
382.20483	4.5
426.31348	1.7
464.28299	73.1
465.28796	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	464.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01866	1.4
55.05509	11.5
56.96560	2.1
63.17419	0.7
67.05181	1.2
67.05504	16.9
69.07070	4.3
69.38645	4.5
70.02942	0.8
72.08141	1.4
79.05059	1.2
79.05489	14.1
81.07054	29.4
83.04977	1.2
83.08618	7.4
83.36862	0.6
85.06535	2.1
91.04960	1.3
91.05473	13.1
93.06468	1.4
93.07040	24.3
94.07355	0.9
95.04944	1.7
95.08603	29.4
96.08925	1.0
97.06529	0.8
97.10180	1.0
98.23314	1.3
100.76510	0.6
105.07028	24.3
107.08591	28.1
108.01179	8.4
108.08855	0.8
109.06495	1.7
109.10146	15.4
111.08080	0.9
115.05521	0.7
117.07018	4.2
119.08577	21.2
119.09441	1.1
120.08907	0.7
121.06446	0.9
121.10131	20.5
122.10503	0.6
123.08067	2.3
123.11692	4.2
125.09666	1.4
125.27988	0.7
126.02206	100.0
129.06995	1.2
131.08563	9.2
133.10121	24.8
135.08092	1.7
135.11685	16.8
137.09637	2.8
143.08528	4.7
144.09264	1.0
145.10121	14.9
146.10461	0.8
147.11676	19.3
148.12059	0.9
149.09619	1.9
149.13249	13.2
151.11169	1.7
155.08521	1.2
157.10117	4.0
159.11678	13.8
159.12991	0.9
161.09575	1.7
161.13257	16.1
162.13664	1.2
163.11183	6.4
163.14801	4.3
169.10146	2.9
171.11678	3.2
173.09641	0.8
173.13260	7.1
175.11179	4.6
175.14795	14.8
177.12770	6.6
177.16360	1.6
183.11684	3.1
185.13231	6.3
187.11214	1.4
187.14819	5.4
189.12753	3.2
189.16362	8.8
190.63278	0.6
191.14317	2.8
197.13306	2.0
199.14742	4.5
201.16374	29.8
202.16739	1.4
203.14333	2.2
203.18004	3.5
206.04837	0.9
208.06383	20.5
211.14790	5.6
213.16362	2.5
215.17923	23.7
216.18266	1.7
217.15852	1.4
217.19414	0.9
222.08015	2.4
225.16391	3.0
227.17953	2.5
229.15935	4.6
229.19420	4.0
234.08008	1.2
237.16301	1.0
239.17914	3.0
241.19530	1.8
243.17427	2.8
243.21083	6.2
248.09523	1.7
251.17896	1.3
257.18973	3.8
258.19519	0.8
262.11072	1.7
263.13168	1.6
265.19537	0.9
274.11212	1.5
276.12665	2.8
288.12628	5.1
290.14240	0.7
297.22552	0.8
297.25793	1.9
300.12573	2.9
302.14264	4.6
314.14267	4.2
316.15836	2.4
321.25772	11.9
322.25854	1.2
328.15680	2.7
330.17322	1.1
333.17432	3.7
338.11588	0.7
339.26837	26.8
340.27087	2.7
342.17331	1.5
354.17209	3.4
356.19031	2.1
368.18979	1.8
382.20560	3.9
404.24652	1.2
464.28287	74.6
465.28717	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	464.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
55.05513	3.6
56.05008	0.9
57.03402	1.3
58.06553	2.0
58.06802	0.4
58.07994	0.5
61.02882	0.7
67.05500	4.4
68.04996	0.6
69.01522	1.7
69.01939	3.2
69.03417	3.9
69.07055	2.9
70.06589	7.8
72.08153	4.1
73.02880	0.9
74.06026	0.5
79.05494	3.9
81.03355	1.6
81.05753	0.6
81.07047	6.8
82.06528	1.6
83.04962	0.5
83.08566	0.6
84.08096	1.8
85.02904	4.5
86.09647	1.6
87.04428	0.6
91.05424	1.3
93.07029	3.9
94.06507	1.4
95.08604	5.5
96.08125	12.7
97.02840	1.7
97.06474	0.8
97.08867	1.3
98.09627	1.9
105.06977	0.7
107.08617	2.2
108.08076	0.8
109.10118	1.2
110.09647	1.1
114.09164	12.5
119.08557	0.5
120.08047	1.5
121.10100	1.7
127.03916	0.6
133.10109	0.8
135.11667	0.8
138.12715	1.0
145.04898	0.6
147.11546	0.5
174.63615	0.5
175.14809	0.6
221.15240	0.7
222.22159	4.0
224.20016	4.3
240.23260	0.9
248.20110	6.7
266.21146	29.2
267.11279	0.5
267.21585	2.1
284.22198	31.4
285.22531	1.5
297.87134	0.4
302.23233	100.0
303.23529	5.4
326.23276	0.7
428.26483	1.1
446.27347	2.6
464.28552	70.9
465.28891	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	465.3011
Annotation	Perovskone B
Peak:m/z	Relative Intensity
50.07860	3.4
55.05506	15.4
57.07060	8.2
67.05499	18.4
69.07071	16.6
78.72675	3.3
79.05502	13.9
79.05926	3.3
81.07065	17.0
83.04997	6.8
83.08652	7.2
85.10187	4.8
91.05487	15.0
93.07033	26.1
94.00631	3.3
95.04962	4.3
95.08612	42.0
98.23353	9.6
105.07027	30.0
107.08594	16.4
109.06543	4.7
109.10165	16.8
111.08123	5.2
119.08586	24.6
121.10149	22.3
123.08134	6.7
123.11723	4.5
127.07601	5.0
128.06238	4.4
129.06999	6.9
131.08600	13.7
133.10136	13.6
135.08083	4.4
135.11684	10.3
137.05865	3.4
139.07512	6.9
140.07916	3.7
141.07019	5.1
142.07758	5.6
143.08569	18.9
145.10144	19.4
147.11679	7.6
149.09492	3.7
149.13214	3.6
154.07747	4.7
155.08560	16.3
157.10130	25.8
159.11681	16.8
161.09673	4.6
161.13226	6.7
163.11177	4.1
165.37085	3.7
166.19916	3.4
167.08542	7.5
169.10155	25.7
170.10883	3.6
171.11716	14.6
173.13310	4.5
179.08607	4.4
180.09377	3.7
181.10072	10.7
182.10915	7.8
183.11656	21.2
185.13280	5.8
189.12756	3.5
193.10152	7.3
195.11716	12.6
197.13263	13.8
199.14903	8.0
207.11697	5.6
209.13242	15.1
210.13821	4.0
211.11238	5.3
211.14807	10.8
215.10805	4.0
221.13107	5.7
223.14850	16.1
225.16246	5.8
227.10683	7.1
228.80013	5.3
233.13138	5.7
235.14877	4.8
237.12857	4.9
237.16356	8.3
251.14400	4.3
265.15872	5.3
269.15359	10.4
271.16864	9.1
297.18408	4.6
307.20514	4.3
309.18634	4.9
325.21576	22.5
419.29648	6.7
429.27972	8.2
447.29001	12.5
465.30026	100.0
465.40109	6.7
466.29999	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	465.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01875	2.9
55.05513	28.2
57.07073	8.5
59.04969	2.1
65.03933	4.1
66.72556	1.9
67.05502	36.7
69.07063	25.7
69.15079	13.3
71.04985	2.9
71.08624	5.0
77.41071	1.9
79.05493	33.0
81.07053	100.0
83.04981	5.6
83.08624	12.2
85.06545	16.8
89.06000	2.2
91.05475	23.8
93.07038	60.5
95.04954	4.4
95.08602	75.0
96.08926	2.2
97.06509	3.8
97.10168	11.4
99.04458	11.2
101.06030	5.7
104.68871	1.7
105.07025	54.5
107.08588	68.3
109.06540	9.3
109.10154	50.5
109.10905	2.3
110.10523	2.0
110.96148	2.0
111.11723	6.0
117.07008	7.8
119.08578	58.7
120.08939	1.9
121.10134	47.2
122.10468	2.1
123.11717	18.9
125.09624	1.8
127.03896	1.9
127.07533	9.2
129.06979	4.0
131.08565	19.2
133.10115	40.7
135.11684	29.6
137.13286	4.9
141.09052	2.0
142.07846	4.0
143.08548	9.0
144.09357	2.4
145.10115	34.1
147.11676	33.1
149.09615	4.8
149.12108	3.7
149.13232	30.3
151.03900	2.8
155.08624	3.0
156.09331	2.9
157.10123	19.2
158.10864	2.8
158.68907	2.0
159.11687	47.0
161.09621	2.1
161.13264	25.0
163.11217	3.2
163.14809	15.9
167.10684	5.2
169.05013	3.6
169.10118	5.8
171.11696	16.0
173.13266	29.5
174.13651	2.4
175.11227	5.4
175.14804	13.2
177.12628	3.4
177.16330	4.3
181.12247	2.5
183.11684	3.6
185.13248	10.6
187.14815	20.5
189.12787	2.3
189.16402	13.5
191.17949	4.0
193.12074	1.8
195.13809	3.8
195.29109	1.9
197.13292	5.9
199.14764	11.8
201.16321	14.7
203.17964	11.4
207.13779	3.4
211.14886	3.7
213.16324	13.7
215.17906	18.5
217.15936	2.3
217.19547	13.2
219.13792	2.6
225.16400	5.5
227.17932	11.4
228.18570	2.0
229.19516	9.6
231.21069	5.1
233.15454	3.4
235.16939	4.1
237.16457	2.2
241.19533	5.3
247.16891	3.0
249.18562	3.0
253.19345	1.9
255.21109	5.3
257.22659	14.0
269.22690	3.3
275.20032	2.7
283.24213	5.3
295.24173	4.2
297.25745	3.8
301.21704	2.4
303.23267	2.4
325.29025	2.6
329.24878	1.9
331.86420	1.9
351.30539	3.3
355.26395	3.1
369.27740	2.2
465.23053	4.5
465.30499	4.3
465.37201	91.3
466.37579	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05508	2.4
57.03432	2.3
57.07072	2.0
59.05014	1.5
67.05510	5.9
69.03085	1.2
69.03432	14.0
69.06791	5.3
69.07121	1.8
70.06580	4.9
72.08147	2.7
79.05490	10.3
81.07059	100.0
82.07405	2.2
84.08154	2.1
85.02901	12.2
86.09715	2.6
87.04473	9.8
87.38203	0.8
91.05472	1.7
93.07046	2.2
95.04978	1.3
95.08601	15.2
97.02891	13.1
97.06522	1.0
98.06069	1.0
99.04489	1.3
100.11273	1.1
103.03933	1.0
107.08620	1.4
109.10182	2.0
110.07177	1.2
111.04466	1.7
115.03936	16.3
120.08128	1.5
121.10121	0.9
123.59727	0.8
127.03928	2.5
133.04965	20.2
133.05954	1.2
134.05367	0.8
137.13254	18.5
138.13628	1.3
145.04993	2.7
149.48140	0.9
150.07632	1.8
151.07600	1.3
168.13919	1.7
183.15692	0.9
196.03879	0.8
196.13383	1.5
210.14925	1.2
259.08154	1.3
287.20123	1.2
295.10257	1.3
296.23923	0.9
305.13998	1.2
327.05185	1.0
388.67679	0.9
402.53339	0.9
423.30484	2.9
467.25525	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	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01868	1.5
55.05511	2.8
57.03440	10.3
57.07071	2.7
59.05009	2.6
60.04513	1.3
61.02931	1.4
65.03944	0.7
67.05507	6.6
69.03430	38.0
69.07072	6.5
70.06598	0.8
70.50146	1.3
71.05003	0.8
73.02932	1.2
75.04480	1.3
79.05501	10.1
81.03412	2.0
81.07056	100.0
82.07393	3.2
83.04986	1.0
83.08638	1.7
83.22662	0.5
84.08186	0.7
85.02905	29.8
85.06518	1.2
87.04471	24.8
88.15881	0.6
91.05455	1.4
93.07042	4.2
95.08606	25.7
97.02892	31.8
97.06538	1.0
98.03255	0.7
99.04475	1.8
99.08108	0.6
100.11258	2.7
103.08833	0.5
105.07036	2.0
107.08605	2.5
109.02888	1.1
109.06488	0.6
109.10169	2.6
111.04447	0.8
111.08087	1.5
111.11707	4.1
115.03927	43.7
119.08603	1.9
121.10154	0.9
123.04454	0.9
123.08064	0.7
123.11674	1.1
127.03920	4.8
131.08585	1.2
133.04967	45.8
133.10181	1.3
134.05304	1.1
135.11691	1.3
135.79210	0.6
137.13252	21.1
138.13771	0.7
145.04958	4.8
145.10077	0.8
148.03989	0.7
149.13287	0.9
150.07622	7.3
150.08772	0.8
153.12759	0.6
154.12311	0.7
155.14305	3.5
159.11792	0.6
163.06041	1.0
165.09207	0.9
165.12767	1.0
169.04959	1.0
173.09677	0.6
177.12791	0.7
179.14380	1.6
182.15445	1.0
187.06017	0.5
190.80220	0.5
192.06622	1.7
203.10669	0.6
203.14250	0.9
205.07072	1.2
210.14848	0.8
221.15392	0.9
223.06058	0.8
241.07048	1.1
257.15332	1.0
258.11371	0.8
259.08142	1.8
269.17517	1.6
273.76413	0.6
277.09280	1.7
295.10327	1.9
305.17401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42475	0.3
56.05010	1.3
56.96543	0.3
57.03425	0.6
58.06605	15.4
67.05484	0.9
69.03388	1.8
69.07070	0.7
69.36812	1.1
69.37225	1.4
70.06598	3.5
72.08161	7.2
79.05476	0.7
81.03357	0.6
81.07056	2.3
82.06550	0.6
83.06109	0.4
84.04484	1.0
84.08147	6.0
85.02917	2.1
86.06081	0.4
86.09671	1.4
88.03922	0.4
88.07634	0.4
91.05474	0.7
93.07037	0.9
93.08733	0.8
95.08571	0.5
96.08092	1.5
97.02850	1.3
98.06074	0.5
98.09647	1.3
100.07596	1.0
105.03709	0.4
107.08562	0.8
108.07422	0.5
108.08120	6.1
109.06524	0.4
110.07200	1.9
110.09663	2.1
118.08640	0.6
119.08568	1.0
120.08121	2.3
122.09610	0.6
124.11214	0.5
126.09155	10.9
127.03914	0.5
127.07530	0.5
127.09451	0.6
128.10693	1.8
129.10251	2.3
136.07545	0.9
142.12320	0.5
144.10197	42.9
145.10550	2.0
163.03880	0.4
184.13336	0.6
226.18018	0.5
250.18138	2.9
268.16504	0.7
268.19092	6.4
286.20126	17.0
287.20569	0.6
304.21185	100.0
305.11276	0.5
305.21536	5.8
310.20334	0.5
353.58469	0.4
378.42474	0.4
430.24377	1.1
444.32956	0.4
448.25507	2.6
461.99701	0.4
466.26495	99.2
467.27011	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	466.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09267	1.2
54.36013	1.3
55.01874	1.7
55.05508	5.7
57.07077	33.7
63.59145	1.2
67.05500	6.3
69.04971	7.7
69.05396	4.3
69.07075	6.6
71.08633	31.9
73.06563	5.1
81.07041	3.9
82.07377	1.3
83.04990	1.7
83.08619	5.0
85.10180	16.9
87.04461	2.6
89.06034	100.0
93.07075	2.5
95.08622	3.3
97.10182	4.5
99.11716	3.1
107.07081	3.2
107.08602	1.4
109.10109	3.0
111.11713	2.9
113.13297	1.7
118.42871	1.4
119.08643	1.4
121.10184	1.2
128.07085	2.6
133.08609	46.3
136.63229	1.5
139.03947	2.0
141.16411	1.9
142.07948	1.6
151.09657	3.4
177.11223	10.0
195.12430	1.8
211.24338	1.8
239.14867	18.4
299.29535	2.1
449.38498	11.8
450.38608	2.0
466.36349	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	467.1526
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
75.49505	0.2
84.08127	0.5
91.45957	0.3
127.03736	0.9
165.48642	0.3
169.04732	0.3
172.04919	1.6
173.04242	0.3
187.06013	0.4
215.05266	0.3
229.06876	0.4
301.08826	0.3
317.08389	4.6
467.15247	100.0
468.15555	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	467.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64295	0.5
55.05488	1.1
57.03412	0.9
67.05495	1.5
69.03403	1.9
70.06583	3.5
70.25409	0.5
70.92448	0.9
72.08139	3.1
79.05467	0.8
79.08919	0.5
81.03396	1.0
81.07034	2.3
83.92815	0.6
84.08091	0.7
85.02872	1.9
86.09689	2.4
91.05437	0.7
95.08585	0.6
97.02876	1.7
97.06475	0.8
97.10190	0.6
99.04418	1.0
103.03949	1.1
104.10754	0.8
105.07005	1.2
105.79118	0.5
107.00408	0.6
107.08570	1.2
109.02873	1.6
110.07156	2.0
115.03927	1.1
120.08090	1.6
121.10128	0.9
125.09625	0.5
127.03899	2.7
133.10124	0.7
137.00746	0.6
145.04921	1.2
161.05968	0.6
163.05991	0.8
184.07310	0.8
185.04268	0.9
198.59161	0.6
226.77554	0.5
231.09833	0.8
246.77876	0.6
261.14636	2.0
269.13019	0.7
287.13901	1.1
287.20029	1.0
305.13586	100.0
306.13992	5.5
467.18866	29.4
467.25201	1.9
467.29202	2.2
468.19247	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	467.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.8
60.72734	0.4
67.05482	0.9
69.19554	3.0
70.06596	2.1
71.49082	0.4
71.94021	0.4
72.08145	1.1
79.05499	0.9
81.07027	1.7
83.04957	0.5
83.08591	1.0
85.06496	0.6
86.09689	1.1
91.05478	1.0
93.07006	1.4
95.08562	1.4
98.23331	0.7
100.07565	0.6
100.11232	2.9
105.07011	1.0
107.08531	0.6
109.02845	0.5
109.10140	0.8
110.07133	1.1
111.04435	1.0
114.09139	1.8
119.08531	0.8
120.08082	1.0
121.10099	0.9
127.03912	0.4
128.07065	0.5
129.40800	0.4
133.10045	0.6
135.11641	0.6
136.07570	0.5
138.39355	0.4
142.08611	1.6
143.08525	0.7
159.11636	0.5
182.15442	2.8
185.04210	0.7
208.15051	0.5
210.14848	2.1
220.47621	0.4
227.17570	0.5
258.21698	0.7
261.14636	5.9
305.13586	100.0
306.13892	6.8
368.24863	0.4
449.35413	0.6
467.18866	31.3
467.24814	1.2
467.36374	1.3
468.19159	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	467.1891
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
54.64295	0.5
55.05488	1.1
57.03412	0.9
67.05495	1.5
69.03403	1.9
70.06583	3.5
70.25409	0.5
70.92448	0.9
72.08139	3.1
79.05467	0.8
79.08919	0.5
81.03396	1.0
81.07034	2.3
83.92815	0.6
84.08091	0.7
85.02872	1.9
86.09689	2.4
91.05437	0.7
95.08585	0.6
97.02876	1.7
97.06475	0.8
97.10190	0.6
99.04418	1.0
103.03949	1.1
104.10754	0.8
105.07005	1.2
105.79118	0.5
107.00408	0.6
107.08570	1.2
109.02873	1.6
110.07156	2.0
115.03927	1.1
120.08090	1.6
121.10128	0.9
125.09625	0.5
127.03899	2.7
133.10124	0.7
137.00746	0.6
145.04921	1.2
161.05968	0.6
163.05991	0.8
184.07310	0.8
185.04268	0.9
198.59161	0.6
226.77554	0.5
231.09833	0.8
246.77876	0.6
261.14636	2.0
269.13019	0.7
287.13901	1.1
287.20029	1.0
305.13586	100.0
306.13992	5.5
467.18866	29.4
467.25201	1.9
467.29202	2.2
468.19247	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01880	3.9
55.05506	11.1
56.63095	2.2
56.93121	2.2
57.03428	2.9
60.88031	2.3
67.05502	10.2
69.03432	12.3
69.07014	16.3
69.07331	16.3
70.06596	15.9
71.04993	7.5
72.08160	15.0
73.02915	2.3
79.05483	13.5
81.03422	5.0
81.07059	31.9
83.04976	10.4
83.08605	4.5
84.08133	10.2
85.02924	14.2
85.06548	7.5
86.09698	10.1
86.51955	2.6
87.04509	2.4
91.05473	9.8
91.87415	2.2
93.07043	32.1
93.43414	2.1
95.04969	8.5
95.08610	34.5
97.02882	10.0
97.06551	17.8
98.09692	4.3
99.04460	17.2
99.08127	2.9
100.07638	4.6
100.11256	7.3
100.11890	2.1
101.07203	2.7
103.03901	2.4
105.07022	23.5
107.04964	3.5
107.08582	14.4
108.34496	2.1
109.02876	4.0
109.06513	18.8
109.10133	6.0
110.07184	4.8
110.61949	2.4
111.04493	3.1
111.08094	10.6
111.11716	6.1
112.07569	2.1
113.06017	2.4
114.09166	5.2
115.03919	5.3
117.03394	8.1
119.04955	8.8
119.08577	12.7
120.08117	8.3
121.06509	54.1
123.04391	3.6
123.08091	3.7
123.11697	5.3
125.05985	12.3
127.03924	11.6
127.07537	4.3
128.07086	2.4
129.10263	3.0
130.10733	2.2
131.08609	3.3
133.04959	4.6
133.10141	13.0
135.04437	3.7
135.08031	5.2
136.07562	4.2
137.05995	2.8
139.07549	14.9
139.11183	4.5
143.07034	7.2
143.08525	2.7
145.02869	19.0
145.04973	7.0
145.10168	6.1
147.04420	29.9
147.11693	30.3
149.13283	3.7
151.11185	3.7
157.08591	6.9
157.10098	9.7
157.12234	9.9
159.06526	7.1
161.13260	8.4
163.03938	3.2
165.12733	10.1
166.07820	2.6
169.12230	9.8
171.11691	10.1
175.11162	16.4
177.05460	31.8
181.10030	2.6
182.15439	6.4
187.05853	3.2
189.12753	11.7
191.89105	2.6
193.12239	21.5
198.14919	6.8
199.11168	23.8
204.10236	15.2
207.13876	11.7
210.14893	9.1
210.51964	2.3
211.13283	18.8
211.15054	3.4
217.10158	2.0
217.12231	60.3
229.14351	11.0
234.11253	9.1
234.92366	2.5
235.13309	88.4
236.13608	3.8
253.14355	100.0
254.14670	3.7
254.25998	2.6
271.15390	11.2
289.16714	11.0
292.20200	4.0
322.21088	4.0
337.21210	3.1
354.23904	4.9
452.31168	3.4
468.24918	33.7
468.31577	3.9
469.25757	3.3
469.33920	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	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78664	11.7
54.74992	10.4
55.01876	12.0
56.00256	11.5
61.01337	10.9
67.05525	19.5
69.03433	19.4
69.08915	26.5
69.09325	72.7
70.06593	25.9
71.04974	14.2
72.08154	14.9
79.05502	13.1
81.03419	33.6
81.07079	31.3
85.02918	57.0
91.05475	19.0
93.07048	42.6
95.08627	21.2
97.02898	42.6
99.04463	27.4
105.07037	21.9
107.08589	12.4
109.02877	100.0
113.27705	12.9
121.06525	45.6
127.03928	89.4
132.85085	11.7
133.10135	15.6
139.07545	13.0
145.02907	17.9
147.04390	20.8
147.11694	33.2
152.14211	12.0
157.08693	15.5
159.06502	13.8
169.04955	21.1
175.11119	17.2
177.05376	22.6
178.96051	12.0
187.05994	31.3
199.11200	29.3
207.45372	13.8
217.12314	51.3
229.14339	16.7
235.13316	81.7
247.08189	25.5
253.14339	89.6
271.15228	15.2
292.81012	12.8
328.03033	12.1
468.24820	17.0
469.21078	29.7
469.27328	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.6
67.05525	13.3
69.03432	30.5
69.07056	14.3
69.53271	32.3
69.53679	45.5
70.06593	57.8
72.08134	19.2
73.17445	13.3
79.05505	19.7
81.03426	43.9
81.07067	53.2
83.08592	16.3
84.08147	15.2
85.02926	80.6
91.05496	16.3
93.07037	21.2
95.08614	29.3
96.80010	15.4
97.02924	23.7
99.04458	30.6
100.07645	18.7
100.11257	26.9
103.44250	12.4
105.07066	18.6
106.71268	14.8
107.08537	18.1
109.02858	100.0
116.10731	16.4
119.08566	18.0
121.06476	35.7
123.06063	14.0
127.03925	69.5
128.10742	26.3
135.08066	15.3
147.04443	23.0
147.11713	20.6
177.05441	22.7
182.15450	46.8
187.06038	36.4
187.95834	15.2
198.14943	40.0
207.14035	13.7
210.14896	34.2
211.13373	20.1
217.12236	39.4
224.33789	15.0
235.13383	51.6
247.08162	38.2
253.14381	55.8
271.15445	19.6
286.25214	30.6
289.16669	14.6
296.08212	15.2
304.23080	18.4
304.26407	45.4
325.24680	13.1
349.26077	15.4
354.23868	21.5
452.31021	27.7
468.24792	49.2
469.27411	93.0
469.33176	19.2
471.52377	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.309
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.42098	1.2
54.78904	1.1
57.07067	3.4
57.73616	1.2
58.06607	1.4
60.08172	17.1
61.87938	1.1
62.98249	2.9
67.05511	1.5
67.66087	1.1
69.07052	1.4
69.30193	8.4
69.61734	1.1
70.17505	1.0
71.07369	6.9
71.08636	2.2
83.04995	1.3
86.09712	47.8
95.08676	1.2
97.43619	1.0
98.98460	4.2
99.02702	1.1
99.69404	1.2
104.10751	100.0
105.11092	1.6
105.86037	1.1
109.10104	1.4
112.35086	1.1
112.37674	1.2
125.00009	26.9
156.94870	1.5
167.41014	1.2
184.07356	95.1
185.07707	1.4
258.11224	2.3
285.24243	2.1
450.29779	9.8
468.30853	21.8
469.31357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.6
57.03430	5.0
57.07074	85.5
62.06091	17.2
64.23856	1.2
66.28859	1.2
67.05503	7.7
69.02040	12.1
69.07069	10.0
71.08628	65.8
72.08953	1.2
73.06564	3.8
79.05502	2.3
81.07046	8.3
83.08617	9.0
85.10178	43.5
87.04472	2.4
89.06028	100.0
90.06390	1.8
93.07032	2.4
95.08600	13.5
97.10167	7.8
98.98463	12.6
99.11721	10.4
107.07098	3.1
107.08578	1.5
109.10134	6.2
111.11724	4.2
113.13256	5.8
117.09145	2.2
123.11707	2.2
124.01619	1.3
127.57370	1.1
130.08604	1.6
133.08604	57.9
135.10146	1.6
142.02640	1.3
155.01025	11.2
164.43095	1.3
169.19551	1.7
177.11221	20.2
194.27534	1.3
195.12311	3.6
213.22241	1.4
216.06255	2.1
221.13875	1.6
232.90868	1.4
239.14853	3.1
253.25137	1.7
257.24777	3.3
271.76947	1.3
283.17508	22.4
296.29410	10.2
301.27463	1.9
314.27795	10.8
314.41690	1.3
327.28922	79.6
328.29095	6.7
407.25528	3.7
407.33664	2.1
413.63446	1.1
451.36307	18.3
452.35767	1.6
468.31726	2.2
482.13583	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	468.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.6
57.03447	1.1
57.07076	41.4
57.22881	0.7
58.07401	1.0
64.93591	0.7
67.05501	0.8
69.07067	3.5
71.08630	30.9
72.08953	1.3
73.06558	7.2
81.07048	1.8
83.08614	1.9
85.10182	20.8
87.04461	3.0
89.06029	100.0
90.06362	1.2
91.07619	1.2
95.08604	2.3
97.10152	3.5
98.98460	7.8
99.11732	3.6
107.07065	2.2
111.11713	3.0
113.13278	2.6
117.09128	2.7
127.14891	1.1
133.08601	48.7
135.58047	0.8
142.43735	0.8
144.60548	0.7
151.09726	0.8
155.01041	8.1
169.19537	3.0
177.11224	17.3
177.90953	0.7
195.12289	1.8
204.26103	0.9
213.22134	1.5
221.13850	1.5
239.14929	2.7
240.24117	0.9
245.07013	0.8
257.24759	5.7
283.17502	14.1
301.27408	3.0
313.27319	2.0
314.27679	12.8
315.28003	1.0
350.97107	0.8
450.26871	2.1
451.36221	12.7
452.36523	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	469.1456
Annotation	Polycarpine
Peak:m/z	Relative Intensity
64.72488	0.9
70.06604	3.8
70.45969	2.3
74.02466	2.1
84.08160	1.4
85.02907	1.3
88.03995	4.2
97.52002	1.1
107.74156	1.0
110.07187	1.8
116.03487	1.8
134.04500	14.3
145.02794	1.9
146.06009	100.0
147.06366	4.4
164.83969	1.1
177.05476	4.8
246.78120	1.2
255.58257	1.1
289.08063	3.0
307.09305	8.9
469.22797	3.5
487.49792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1482
Annotation	Polycarpine
Peak:m/z	Relative Intensity
50.19329	3.3
52.79463	3.3
54.67504	2.8
55.05505	4.6
56.96571	23.0
58.40018	3.1
58.81923	3.0
71.29668	2.9
71.95279	3.6
98.97588	10.8
100.07618	3.6
100.11276	7.3
110.07175	4.5
132.33913	3.7
142.04475	3.5
181.05409	6.9
209.68442	3.8
210.14902	5.4
245.08490	8.8
263.09521	36.4
281.10730	18.2
289.07495	8.5
297.46832	3.9
307.08536	35.8
307.11493	6.4
325.09723	16.9
337.91687	3.6
349.09647	22.3
350.39835	4.5
469.14777	100.0
469.26907	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	469.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.2
56.05031	5.8
56.96566	15.2
57.03444	2.1
59.83447	2.1
62.71090	2.2
67.05491	4.6
69.01110	21.0
69.03423	4.8
69.07069	2.8
70.06590	17.9
72.08162	17.0
74.06087	15.5
79.05521	2.7
81.03403	5.5
81.07037	5.4
84.04484	2.7
84.08134	6.2
85.02911	15.2
86.09704	11.5
91.05499	2.8
93.07074	3.8
95.08639	3.2
97.02882	5.1
99.04465	5.7
101.30367	2.3
103.03930	11.3
109.02875	7.2
110.07159	6.9
112.65757	2.2
113.48032	2.2
115.00692	3.5
118.99045	2.8
120.08103	16.8
121.10148	2.8
127.03912	17.8
129.02234	2.3
129.10301	3.4
130.06548	13.3
132.08102	2.5
136.05118	2.9
138.05457	3.2
145.04938	9.9
147.03313	2.3
157.07622	6.5
158.06015	6.3
159.09148	3.1
162.12801	2.3
163.04195	2.2
165.02272	2.1
175.08630	3.7
177.05490	3.3
181.05371	4.4
182.15437	3.1
184.09021	2.1
187.08638	3.4
199.02852	3.8
207.03279	5.8
219.20900	2.2
225.04356	9.5
241.09703	2.9
247.06483	5.3
255.08910	4.0
265.07477	31.3
269.09290	5.9
276.13455	6.6
281.10559	4.1
283.08499	12.8
289.10492	3.7
304.12662	4.1
307.09113	68.0
325.09470	17.5
327.24216	2.5
350.14929	3.5
421.37384	2.3
425.31870	6.6
469.14694	100.0
469.20349	3.5
469.25104	15.2
470.15375	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	469.1683
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
58.42457	0.5
69.59931	0.9
69.60339	2.0
70.06600	1.8
72.08134	0.8
74.28420	0.4
83.01109	1.6
95.01105	2.6
96.01882	1.4
100.25388	0.5
108.66694	0.5
110.07216	1.2
112.01340	0.9
113.02120	3.7
114.10360	0.5
145.02870	1.0
157.04755	1.6
163.03902	1.4
177.05487	2.2
185.04201	5.1
201.03702	1.6
203.05235	1.0
217.04799	2.2
232.07057	15.3
233.07571	1.4
236.29883	0.6
243.08514	0.7
247.33344	0.5
259.07764	2.9
275.08990	1.4
307.11334	0.7
308.15225	0.6
438.14661	3.0
439.15695	2.2
469.16827	100.0
470.17114	7.4
470.22717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20170	0.3
55.05463	0.4
56.72575	0.4
60.05650	2.9
67.94300	0.6
69.03412	1.7
70.06573	1.2
70.07027	0.5
70.07399	1.5
72.08158	8.7
84.08196	0.3
84.96610	0.3
85.02898	1.7
85.45769	0.3
86.09690	0.6
86.59019	0.4
89.03909	2.9
89.10804	0.4
89.98618	0.3
91.41391	0.3
97.02888	0.7
97.07642	1.6
98.06075	0.9
98.23189	0.4
101.32750	0.4
110.07157	2.2
114.10291	17.7
115.08692	1.9
117.03384	12.2
117.04228	0.6
120.08075	0.6
131.12932	5.2
134.03668	0.5
136.07610	0.7
136.08728	0.5
145.02847	56.8
146.03192	1.4
146.06099	0.4
149.05988	4.2
157.10860	1.3
163.03905	0.9
177.05466	100.0
178.05809	3.0
184.35750	0.4
192.07767	0.4
201.91151	0.4
209.10338	1.0
232.11989	0.8
247.14400	3.2
248.12732	2.7
265.15509	0.4
290.15018	7.6
295.81015	0.4
307.17639	15.8
308.17886	0.5
322.19308	0.4
469.22946	80.9
470.23206	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	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
59.90387	0.3
60.05654	2.0
62.63667	0.3
63.02358	0.4
70.06575	0.6
71.28773	0.5
72.07809	0.4
72.08154	4.9
86.09681	1.2
89.03929	3.2
91.05510	0.4
95.06041	0.3
97.07651	1.9
98.06056	0.6
110.07164	2.8
114.09464	0.4
114.10288	12.3
115.08688	3.1
117.03377	13.2
120.62405	0.3
131.12918	2.6
134.03577	0.9
135.04411	0.8
145.02846	55.3
146.03171	1.3
146.06059	0.8
149.05977	4.4
156.07623	1.7
157.10811	1.3
163.03851	0.5
177.05467	100.0
178.05840	2.7
186.05511	0.4
223.15390	0.4
232.12131	0.4
247.14476	3.2
248.12813	4.1
251.14967	0.6
290.15009	6.5
307.17651	13.3
308.18027	0.7
452.20212	0.4
469.22925	72.1
470.23267	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	470.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.50515	1.5
55.01868	2.0
55.05510	10.5
55.80075	1.4
56.96569	3.6
57.03428	3.1
59.76659	1.6
61.02929	6.9
69.03433	13.3
69.07071	53.0
70.01789	3.5
71.05023	2.2
73.02921	3.6
81.03417	6.4
81.07053	2.1
84.08147	2.0
85.02907	100.0
87.04450	1.7
91.03973	4.9
97.02895	19.5
98.97579	1.9
99.04467	3.9
100.11278	5.8
103.03916	2.1
109.02889	9.0
111.11728	24.2
114.09193	6.0
116.98605	2.3
127.03934	21.6
145.04962	41.5
163.06024	20.3
182.15508	3.0
185.79459	1.6
209.04828	1.9
210.14861	3.9
213.42749	1.6
247.10139	2.2
249.08168	1.8
265.11053	8.7
283.12173	2.9
309.10196	5.6
327.70407	1.8
337.72836	2.1
351.10953	2.5
471.15765	18.2
484.97977	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	470.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.05032	0.9
69.03427	0.5
69.07070	0.8
69.47778	0.6
69.48183	1.4
69.85717	0.3
70.06591	100.0
71.06932	1.8
72.08153	4.6
78.98444	0.3
83.06105	0.4
84.04503	6.3
84.08147	5.8
85.02892	0.5
86.09703	35.2
87.10013	0.5
89.03944	0.4
91.05489	1.2
98.06055	4.5
100.11285	2.0
101.07144	2.2
102.05531	0.6
105.07034	0.4
110.07172	1.8
110.40070	0.3
111.04476	0.3
112.11250	0.6
114.09112	0.4
116.07098	1.7
117.03358	0.7
118.84340	0.3
119.04932	1.8
120.08102	1.2
126.05505	1.9
126.09250	0.3
127.03929	0.4
127.08672	0.4
129.10234	4.1
130.05002	13.5
131.11688	0.3
135.04402	1.2
136.07610	0.4
140.07162	0.3
141.10228	0.3
144.06508	0.6
145.01889	0.3
145.02831	1.8
147.04416	6.3
147.07642	19.2
148.07933	0.4
155.08186	0.5
155.15424	0.4
156.07587	0.5
161.09233	1.0
163.03900	8.9
164.04166	0.5
167.15375	0.4
169.09702	0.4
169.13306	0.7
177.05460	0.5
182.15379	0.5
183.14928	24.8
184.15242	0.7
197.12881	0.5
199.18021	1.3
209.16600	0.4
211.14412	19.9
212.14713	0.7
215.14053	0.4
220.09697	4.1
226.15582	0.5
227.10252	2.7
227.17505	1.0
229.15437	1.0
234.11345	0.4
242.11464	0.3
243.13382	1.2
260.16058	8.2
308.19543	1.2
324.22803	5.6
325.23178	0.4
339.20129	0.8
342.23822	0.4
357.21332	14.3
358.20499	0.4
376.42215	0.3
452.28589	0.7
453.27448	0.5
470.22330	5.0
470.29541	23.2
471.22214	0.9
471.29654	2.3
471.35443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
67.05482	1.5
69.07069	1.9
70.06598	7.7
71.05011	1.5
72.08164	3.8
80.68929	1.0
81.07051	5.2
83.04978	1.3
84.08147	4.5
85.02897	2.0
86.09711	7.5
93.07039	2.4
95.05000	1.2
95.08608	3.5
97.06535	1.5
105.07032	2.3
109.10156	2.1
117.07098	1.3
119.08508	1.5
121.10135	2.9
129.10258	2.5
131.08572	1.3
135.11765	1.3
137.09616	1.3
147.04445	3.6
165.09189	2.4
170.78352	1.1
201.16104	1.2
227.17639	1.5
233.15259	1.4
239.11829	1.9
253.13272	1.1
267.11575	1.2
314.25906	1.1
333.07886	46.8
334.08401	2.0
335.09421	22.6
453.16803	1.2
471.22028	100.0
472.22324	8.1
486.45923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.60353	0.2
55.05516	0.4
61.51342	0.2
69.07095	0.6
69.87893	0.8
70.06591	1.8
72.08157	1.0
73.60962	0.2
79.05488	0.6
81.07050	0.9
83.05031	0.3
84.08127	0.6
85.02888	0.3
86.09709	1.7
91.05484	0.3
93.07046	0.6
95.04988	0.3
95.08597	0.7
105.07059	0.4
107.08612	0.7
109.10180	0.4
110.07221	0.4
112.08718	0.5
119.04901	0.3
119.08554	0.5
121.10160	0.3
125.09736	0.3
129.10210	0.5
131.08621	0.4
133.10175	0.3
134.35443	0.2
135.07991	0.2
145.10153	0.3
147.04535	0.3
184.43188	0.2
207.14043	0.3
211.08765	0.7
225.10480	0.4
226.11047	0.4
239.08224	0.5
239.11815	0.8
281.12714	0.5
327.13501	0.3
333.07898	2.0
335.09482	4.6
339.17889	0.4
349.14102	0.3
359.28314	0.3
437.28717	0.4
443.17914	0.4
471.22028	100.0
472.22455	9.3
472.27698	0.3
493.45462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01864	0.9
55.05511	14.7
56.14978	0.7
56.89969	0.7
57.03434	8.1
57.07067	2.4
60.56890	0.7
65.03927	1.4
67.05503	28.0
69.07064	16.8
69.64378	1.9
69.64775	1.4
71.04965	0.7
71.08636	0.7
79.05489	7.1
80.64326	0.6
81.07057	27.5
83.04971	1.5
83.08618	8.3
87.35004	0.6
89.06049	0.8
91.05479	6.1
93.07030	8.6
95.04927	0.7
95.08605	21.5
96.08969	0.7
97.06511	1.5
97.10147	3.2
99.08101	0.9
101.61855	0.6
105.07039	5.3
107.08592	5.3
109.10162	7.4
111.08098	1.2
119.08566	5.2
121.10155	3.4
123.08067	0.6
123.11697	3.1
133.10121	3.3
134.98181	100.0
135.11674	2.3
145.10141	1.3
147.11668	2.0
152.99255	1.6
157.10120	0.9
161.13216	1.4
166.80429	0.7
173.13335	0.7
175.14929	0.6
176.00813	1.6
209.01888	2.9
292.32825	0.7
337.27353	41.8
338.27548	3.1
359.25516	11.2
359.29907	0.7
360.25821	1.0
369.69208	0.7
377.26724	2.0
401.83197	0.7
439.22491	1.2
442.15552	0.7
453.23434	1.3
471.24799	62.3
471.33118	2.1
472.25262	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	471.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05511	18.5
57.03434	10.4
57.07079	5.8
65.03942	1.6
67.05502	37.8
69.07067	34.8
71.08636	2.1
79.05484	15.9
80.61968	0.9
81.07054	47.7
82.07395	1.7
83.04996	2.7
83.08609	10.2
85.06528	5.9
91.05473	11.8
93.07040	18.5
95.04979	1.9
95.08605	54.2
96.08952	2.0
97.06528	4.4
97.10172	5.1
103.07588	1.3
105.07032	16.5
107.08585	15.6
109.06541	1.5
109.10153	23.9
111.08095	3.7
111.11749	2.7
117.07024	2.6
119.08569	17.2
121.10141	14.9
123.08086	1.2
123.11688	7.8
125.09641	1.8
129.09122	1.8
131.08563	8.1
133.10120	12.3
134.98180	100.0
135.11688	7.6
137.13234	6.9
139.11157	1.4
143.08568	1.9
143.10695	4.0
145.10141	10.2
147.11694	8.8
149.13249	5.7
151.11227	1.0
151.14812	1.0
152.99269	1.1
153.12727	1.1
157.10118	3.0
157.12204	1.1
159.11649	7.3
161.13257	11.5
163.14880	3.1
171.11725	2.3
173.13257	6.2
175.14804	5.8
176.00815	1.4
177.16396	1.6
185.13269	2.4
187.14809	9.2
189.16405	5.7
199.14832	1.3
201.16408	4.3
203.17986	1.9
207.17436	1.0
209.01915	2.3
213.16405	2.8
215.17976	8.2
217.19582	3.2
219.17383	1.0
227.18018	1.6
229.19537	2.7
231.11771	1.0
233.19005	1.3
241.19518	1.4
255.21085	2.2
257.22620	2.1
269.22726	1.1
275.23911	1.1
297.25967	1.7
313.25311	1.3
325.28879	14.6
325.32434	1.4
326.29053	1.7
337.27338	41.0
338.27805	3.7
343.29926	9.4
344.30228	1.3
359.25537	12.6
360.26080	1.2
375.25110	1.1
377.26440	1.5
471.24878	53.8
471.32361	3.9
471.38464	24.0
472.25140	5.8
472.39056	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	471.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01868	1.4
55.05509	24.3
57.03440	8.1
57.07088	8.3
59.04978	1.5
65.03932	2.5
67.05502	42.0
68.90905	1.4
69.03432	2.9
69.07065	48.1
70.77750	1.2
71.04987	1.6
71.08622	3.0
79.05489	16.9
81.07052	62.7
82.07423	1.6
83.03542	1.3
83.04964	3.6
83.08620	14.8
85.06531	8.9
91.05467	15.5
93.07041	25.8
95.04963	2.5
95.08603	81.0
96.08921	1.9
97.06532	7.6
97.10176	5.5
98.22623	2.6
99.08109	1.7
101.09641	2.1
103.07609	1.6
105.07024	21.9
107.03623	1.3
107.08591	29.2
109.10151	39.8
110.10518	2.1
111.08093	4.2
111.11745	3.7
113.09689	2.2
117.07036	5.5
119.08580	32.5
121.10136	23.9
123.08064	3.2
123.11706	14.6
125.09604	3.4
129.07024	2.7
129.09148	4.7
131.08557	15.0
133.10117	18.7
134.98181	100.0
135.08109	1.4
135.11668	16.6
137.13235	18.2
143.08580	5.6
143.10712	3.1
145.10107	18.0
147.11665	18.0
149.13249	15.9
151.11249	1.4
153.12737	2.6
157.10129	5.8
157.12253	3.8
159.11694	17.1
161.13254	20.6
163.14804	9.7
165.12883	1.9
169.10094	2.2
171.11728	5.0
173.13246	13.5
175.14832	14.0
176.00856	2.3
177.16397	6.5
185.13266	4.6
187.14801	18.6
189.16402	8.4
191.17984	2.5
193.15976	1.8
195.13907	1.5
199.14857	4.6
201.16370	10.3
203.17995	3.9
205.15938	2.2
209.01865	2.5
213.16449	6.0
215.17966	19.9
217.19472	8.2
219.17513	2.9
223.14766	1.3
227.18036	4.3
229.19589	6.6
231.17348	2.6
233.19035	3.4
241.19576	3.6
255.21146	4.8
257.22693	9.0
259.20532	1.4
263.17917	2.0
269.22699	4.4
275.23758	2.3
287.23611	1.8
295.24310	1.8
297.25809	6.9
303.21133	2.8
313.25156	2.2
315.21204	1.6
315.26624	3.3
317.22705	1.6
323.76874	1.6
325.24969	2.1
325.28870	38.3
337.27292	31.9
338.27658	2.7
343.29980	21.4
359.25507	12.0
360.25864	1.8
365.63519	1.3
471.24844	47.6
471.32544	7.4
471.38403	63.5
472.25296	6.1
472.39096	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	472.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.05022	2.1
57.97878	0.5
58.06588	1.2
60.04539	0.8
61.01160	0.7
68.99785	1.7
69.03411	1.8
69.07069	1.6
70.06594	57.2
71.06923	1.9
72.08144	10.1
74.06090	1.0
74.34003	0.6
81.03435	0.9
83.06096	1.0
84.04515	4.9
84.08151	10.0
85.02917	5.4
86.09706	28.2
87.05589	0.8
87.10049	1.0
91.05479	2.1
95.06070	0.7
97.02905	1.6
98.06017	1.1
99.05579	0.6
101.07144	1.8
102.05557	1.5
103.05444	0.9
104.05368	0.7
105.07042	0.7
107.04977	0.9
109.02890	0.7
110.07166	4.8
110.09709	1.5
112.08743	3.5
115.05435	0.6
115.08698	2.4
116.07101	3.6
117.07037	0.8
119.04945	1.5
120.08103	1.4
127.03914	1.8
127.04862	0.7
127.08685	1.8
128.06223	1.8
128.10727	4.8
129.07033	5.0
129.10234	7.5
131.51328	0.6
133.06299	0.7
135.04463	0.8
136.07542	1.5
139.05450	3.0
139.08633	0.7
140.08211	0.9
141.06885	0.5
141.10216	1.2
143.04863	0.8
143.11813	0.8
145.04951	1.0
147.04393	5.7
147.08020	1.2
148.04840	0.8
155.08208	1.4
156.11104	0.6
157.06485	7.7
157.10837	0.8
157.13338	2.3
158.09233	0.7
159.04347	0.7
160.05212	1.2
161.05948	2.8
163.03801	0.9
167.04910	2.1
169.13309	1.0
171.11304	0.7
173.09283	0.8
175.03923	0.7
175.07533	5.8
177.05475	0.9
180.08633	0.8
181.06070	1.3
183.14966	0.9
185.05981	34.3
185.12901	1.6
186.06306	1.5
186.08803	0.7
187.03812	15.4
188.04340	0.6
197.12735	1.2
201.12370	0.8
203.07013	14.9
204.07367	0.8
204.10213	1.0
208.07835	0.6
211.11967	0.7
211.14314	0.9
213.05460	1.4
213.09065	0.8
215.03484	1.5
215.13866	1.0
216.04298	0.8
217.11833	12.0
225.17070	1.8
229.04773	0.9
229.15474	2.6
230.11877	0.6
231.06526	100.0
232.06879	4.8
244.09242	1.3
275.05527	5.3
282.48160	0.7
288.15680	0.8
310.20190	1.5
472.23117	1.4
472.25964	0.9
472.32928	8.0
473.25137	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	472.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05507	10.6
57.03431	8.5
57.07074	1.8
58.99591	2.7
67.05505	11.9
69.02907	4.5
69.03350	3.4
69.07073	4.1
70.06593	6.9
70.90252	0.7
71.04976	1.5
71.08637	7.4
72.08163	3.4
72.84309	0.8
79.05470	1.3
81.03436	1.2
81.07066	2.6
83.04964	0.9
83.08615	2.7
84.04520	0.9
84.08149	2.1
85.02887	4.5
85.06528	1.4
86.09705	40.2
86.99068	5.7
87.02711	1.0
88.03976	1.1
97.02892	1.5
98.22572	1.6
99.08088	5.7
100.11196	0.9
105.00083	10.6
109.10169	9.0
113.04278	0.9
116.07080	1.2
127.03928	1.4
127.11193	100.0
128.11546	3.5
129.10233	1.6
131.05255	0.8
132.08087	1.9
136.07593	1.0
142.06522	0.9
153.12769	2.4
156.10228	1.4
159.04729	5.9
159.09215	1.3
183.11147	1.2
185.09990	0.9
199.18028	1.1
201.12379	5.6
211.11668	1.0
216.11328	1.0
227.17502	1.2
228.13458	1.3
229.11870	5.6
231.10487	1.1
244.10843	2.7
245.18513	4.5
249.11604	3.2
275.13138	2.6
282.65952	0.9
284.19699	1.4
293.14255	1.1
303.14777	0.9
342.20132	1.9
349.44684	0.8
472.17953	1.1
493.17038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43557	0.2
55.05513	0.3
56.05035	0.3
57.05821	0.3
58.06601	0.4
67.05496	0.2
69.03441	0.3
69.07071	6.1
70.06594	5.9
70.07411	0.2
70.26330	0.7
72.08157	1.9
75.05594	0.5
79.05478	0.3
81.07050	0.3
82.76192	0.2
84.04517	0.3
84.08144	1.2
85.02954	0.2
85.04031	2.7
86.09707	100.0
87.05573	0.2
87.10047	1.5
93.07047	0.2
95.04976	0.2
98.09797	0.2
105.06999	0.2
105.85139	0.2
107.04924	0.2
116.07095	4.1
119.44796	0.2
120.08105	1.0
129.10249	0.7
130.06541	2.2
132.08095	6.8
132.10165	0.3
136.07596	0.4
138.09137	0.2
141.10220	0.2
143.11798	3.4
144.08128	0.3
154.06448	0.3
158.08372	0.3
159.09190	3.4
160.09554	0.5
169.07610	1.3
170.05991	1.2
171.09171	1.3
171.11287	4.2
171.12685	0.3
183.11348	0.5
183.14893	0.3
187.08669	4.0
187.10289	0.3
188.09058	0.3
189.12350	6.3
195.15205	0.2
197.12935	0.2
198.10262	0.3
199.08707	0.8
199.18047	1.6
200.13881	0.4
211.18042	0.3
216.11310	4.4
217.11693	0.2
226.09814	0.2
227.17563	2.1
228.13426	1.3
228.17599	0.2
229.15450	2.1
230.15889	0.2
239.17505	2.3
240.13452	0.6
244.10817	13.6
245.11209	1.0
256.14645	0.2
256.20303	0.8
284.19687	13.2
285.20013	0.7
302.20755	0.9
310.23837	0.3
311.14743	0.4
312.16989	0.2
341.21896	0.4
357.19214	0.6
359.15799	0.3
359.22733	0.4
369.28662	2.4
397.28018	1.6
454.30478	0.3
472.31479	0.8
473.20099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06603	1.0
70.69127	0.9
72.08154	1.4
86.09702	2.3
93.70473	0.4
114.79096	0.4
185.04213	0.6
203.05295	4.8
216.05403	0.4
226.85066	0.4
249.14581	3.5
251.12561	0.7
293.13541	1.8
311.14661	22.3
312.14993	0.8
353.16019	0.5
355.01309	0.5
368.32205	0.4
411.19888	1.1
413.17419	0.7
455.51407	0.4
472.84937	1.6
473.19943	100.0
474.20319	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	473.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06611	0.4
72.08153	0.9
75.95721	0.3
84.08129	0.3
86.09703	1.6
98.22559	0.8
143.03166	0.6
155.07863	0.3
171.67816	0.3
185.04214	0.4
203.05280	4.4
207.12187	0.4
228.86974	0.3
249.14604	3.6
250.14946	0.4
251.12569	0.7
269.12497	0.3
287.80350	0.4
293.13663	1.6
311.14648	21.4
312.15051	1.0
411.19781	1.5
413.17792	0.5
473.19931	100.0
474.20255	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	473.2358
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
50.71063	0.8
51.09797	0.8
69.89357	2.9
82.91873	0.8
87.76108	0.8
93.34510	0.9
100.11249	1.7
127.05387	0.9
128.07115	0.9
132.20697	0.8
181.15730	0.8
198.14938	1.2
199.72179	0.9
210.14828	1.0
293.70847	0.9
347.58603	0.9
388.46344	0.9
464.75854	0.9
473.23590	100.0
474.23984	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	473.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68535	1.8
70.58365	1.6
71.28568	1.8
100.11246	2.6
103.06047	2.2
164.89368	1.7
166.04851	1.7
214.15633	1.9
244.40871	1.9
473.23608	100.0
474.23923	9.7
484.72546	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	473.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.5
57.03439	7.7
57.07082	8.0
67.05505	13.3
69.07069	24.2
69.07421	1.9
71.08634	3.2
75.86817	0.8
79.05495	6.6
81.07055	12.1
83.08606	13.4
85.10201	1.4
91.05483	1.1
93.07046	7.6
95.08603	13.3
97.06519	1.8
97.10162	6.4
107.08587	4.8
109.10162	5.2
111.08102	1.3
111.11734	1.5
121.10151	6.2
134.98187	100.0
135.11678	4.2
136.94069	1.1
141.73399	1.0
149.13234	1.4
152.99245	1.1
176.00838	1.3
189.00174	0.9
209.01968	2.3
212.99963	0.9
247.24265	1.2
283.26709	1.0
284.26758	0.9
339.28937	46.4
340.29236	2.4
352.36990	0.9
353.30450	1.0
361.27136	7.5
379.28098	1.7
473.26425	72.2
474.26895	4.9
495.42682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04185	2.4
55.05511	15.9
56.80143	2.1
57.03431	9.9
57.07065	7.6
67.05494	13.9
69.07069	26.8
69.47211	7.9
69.47624	3.6
71.08636	4.4
79.05492	6.3
79.24291	1.9
81.07050	17.6
83.08614	11.8
84.17640	2.0
93.07045	10.0
95.08604	14.2
97.06516	2.1
97.10148	6.1
98.22649	3.0
107.08588	3.9
109.10187	7.8
121.10149	4.7
134.98192	100.0
135.11690	4.5
149.13277	2.3
212.17099	2.2
339.25244	1.7
339.28903	47.8
361.27139	7.2
379.27924	2.5
429.19467	2.3
473.26392	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.05029	1.1
58.06598	2.4
59.06930	0.6
60.04525	0.6
60.05644	0.9
65.03934	0.5
67.05468	0.4
68.05006	0.4
69.03429	1.0
69.07067	6.7
69.53170	0.3
70.02959	1.5
70.06592	8.5
71.06937	0.6
71.29339	0.5
72.07751	0.6
72.08157	12.1
73.04038	0.7
73.08488	0.6
74.02443	0.7
74.06079	0.4
79.05491	0.6
81.03432	0.4
82.06570	0.5
83.06104	1.5
84.04516	3.5
84.08146	6.9
85.02911	1.1
85.04030	1.7
85.08488	0.6
86.09706	100.0
87.05592	7.7
87.10033	2.2
88.04003	2.3
91.05495	2.9
93.33080	0.3
96.08125	3.8
97.06626	0.3
97.07672	0.4
98.02417	3.6
98.06047	0.8
99.05616	0.4
101.07143	1.2
102.05496	0.5
107.04963	2.1
108.08147	0.4
110.07162	2.6
110.09672	3.1
112.08684	0.6
113.07122	0.3
113.10747	2.1
114.09176	0.7
114.10310	2.1
115.05056	1.1
115.08658	0.6
116.07081	0.4
117.03323	0.4
119.04939	4.4
120.08118	1.6
127.03944	1.1
127.08677	0.6
128.10709	5.4
129.06551	0.8
129.10239	4.1
131.12872	1.8
132.10220	0.9
133.02876	0.6
133.06087	12.1
136.07593	2.0
137.02341	0.4
137.05963	4.0
138.09113	2.7
139.05069	0.5
141.06569	0.5
141.10223	13.0
142.10542	0.3
143.11806	1.1
145.02882	1.0
147.04407	12.6
147.07654	1.1
148.04761	0.5
149.06071	0.4
150.06660	0.4
155.08148	0.5
155.11790	15.5
157.06490	0.4
157.10857	0.5
157.13414	0.6
159.07668	0.4
166.08644	0.9
171.04427	0.9
171.11314	1.4
177.05467	0.9
181.06058	0.9
182.12912	0.5
183.11290	9.0
185.16479	0.4
186.12492	0.5
197.12869	0.5
198.08846	0.5
199.18079	1.8
200.13947	42.9
201.12369	2.1
201.14302	1.5
209.16496	1.3
211.10873	1.0
219.24017	0.4
226.08197	0.7
227.17545	1.1
228.13431	29.7
229.11824	5.8
229.13832	1.0
231.17111	0.4
236.17592	0.6
237.15930	0.6
239.10431	0.5
242.15051	1.5
244.09361	1.4
246.14497	20.7
247.07584	0.4
247.12726	0.8
247.14946	0.6
249.09341	0.5
260.16013	0.5
274.14218	0.5
275.07037	0.4
276.15771	1.2
282.18176	1.1
295.09641	1.4
295.80771	0.4
296.19608	0.5
298.13861	0.5
311.09518	0.4
312.21802	1.2
313.22290	0.8
321.04300	0.4
323.20911	0.8
324.19275	1.0
325.10797	0.5
341.21826	9.3
342.21921	1.1
343.16064	1.0
359.23026	0.6
369.21405	2.0
369.25647	0.4
396.18207	0.4
408.19083	0.9
455.22696	3.0
456.24487	1.5
473.10577	0.7
473.18085	0.6
473.24146	11.7
473.31097	0.6
474.25378	1.6
474.30789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48617	0.8
55.05511	2.1
56.05019	1.7
56.96554	1.0
60.36964	0.9
67.05505	3.7
69.03430	2.1
69.07063	5.0
69.86195	3.6
70.06595	2.6
71.04996	1.5
72.08162	6.6
74.06068	2.3
79.05502	3.7
81.07041	4.4
83.05006	1.7
83.08631	1.7
84.04507	1.0
84.08144	3.0
85.02899	1.5
85.69183	0.8
86.09707	38.1
87.95862	0.9
91.05470	4.2
93.07031	3.3
95.04975	1.2
95.08625	3.1
97.02881	1.3
97.06559	1.6
97.10166	1.6
101.07092	1.2
105.07037	3.9
107.08613	4.5
109.06552	1.0
109.10143	1.9
110.07167	1.7
117.07050	1.0
119.08552	1.9
120.08073	1.3
121.10136	2.1
123.08035	1.5
123.11652	0.9
125.09636	2.1
126.05533	2.0
127.77755	0.8
129.10237	2.2
131.08566	2.1
133.10115	2.7
137.09525	1.0
145.10170	1.2
146.11780	2.8
148.07358	0.8
149.09581	1.8
159.11571	1.2
161.13228	0.9
165.09100	2.6
171.48921	0.9
175.11157	0.9
185.12984	1.1
187.14427	2.6
197.09210	2.6
215.10310	1.0
215.14073	1.6
217.15593	1.5
239.13918	2.7
251.09653	1.4
257.15002	2.6
259.20102	1.1
269.10590	7.3
275.20047	3.6
287.11658	2.6
293.21121	2.8
311.13660	4.3
311.21677	1.9
328.18726	0.9
345.91916	1.0
399.49014	1.0
455.17892	1.1
473.20035	3.5
473.27209	100.0
474.27536	9.6
474.34219	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	473.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01871	17.9
55.05511	39.7
57.03432	8.6
59.05003	6.2
61.02924	13.4
63.86184	4.3
64.03965	4.2
66.60055	4.0
67.05499	42.2
69.03421	32.7
69.07067	28.8
69.14082	35.7
70.06591	15.5
71.05000	8.6
72.08154	17.0
73.02921	5.2
79.05493	45.9
81.03415	19.4
81.07056	61.1
83.04987	22.5
83.08620	27.5
84.08147	12.2
85.02906	57.9
86.09711	17.9
87.04460	7.7
87.44021	4.0
89.97271	3.8
91.05487	31.6
91.23868	4.1
93.07055	38.5
95.04945	27.8
95.08604	32.4
97.02901	23.7
97.06506	25.5
97.10162	27.0
98.23344	8.5
99.04448	9.9
99.28636	3.9
105.07043	34.3
107.04965	8.8
107.08594	83.2
108.25241	4.1
109.02888	7.8
109.06523	10.4
109.10164	16.8
110.07169	9.9
111.04485	7.2
111.08121	7.5
112.44380	4.0
113.06017	6.4
117.07016	7.0
119.08591	16.5
121.06490	5.5
121.10146	20.8
123.08020	7.5
123.11719	10.6
125.05970	5.4
125.09640	44.0
126.32207	5.0
127.03899	8.9
129.10208	12.4
131.08546	9.3
133.10097	26.0
135.08110	8.9
135.11710	15.7
137.05922	5.2
137.09636	5.2
139.07539	4.3
139.11201	12.3
143.08562	4.4
145.04967	10.4
145.06471	4.5
145.10130	18.1
147.08017	6.7
147.11700	11.9
149.09642	12.0
153.12741	6.5
157.10126	9.9
159.11754	12.2
163.11180	12.2
165.09120	23.8
167.10693	5.8
172.77321	4.0
173.09634	4.3
174.56647	3.9
181.12262	4.5
187.11156	9.1
187.14511	6.2
189.11246	31.5
190.09767	4.4
205.12263	6.5
210.37175	4.9
211.13347	7.8
215.13910	6.4
223.13322	18.1
251.16273	6.3
257.18991	10.4
262.24023	4.3
275.20044	80.2
293.21103	100.0
294.21402	7.1
311.22162	22.6
332.60730	4.9
455.23697	5.1
473.21976	35.3
473.28302	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
55.86873	0.3
56.05036	0.4
58.06594	0.3
67.05507	0.4
69.07069	9.8
70.06599	3.8
72.08146	1.4
81.07047	0.7
84.08144	1.3
85.02908	0.4
85.50184	0.3
86.09708	100.0
87.10035	2.4
88.03993	4.7
91.05499	0.4
93.07030	0.4
95.08593	0.9
96.08109	1.5
98.02415	1.3
107.04979	0.4
107.51671	0.3
109.02878	0.3
110.07181	0.6
110.09698	0.7
112.08736	0.6
113.10770	0.5
115.05078	0.4
116.07107	0.3
120.08109	1.0
129.10237	0.6
132.10228	1.4
133.06114	0.9
138.09146	0.7
141.10245	3.6
141.86504	0.4
142.08667	0.6
147.04424	0.3
155.11746	0.3
156.10207	6.7
159.09210	0.3
166.08643	0.8
180.05563	0.3
183.11322	2.0
184.09761	0.6
199.18002	1.7
201.12350	31.1
202.12708	0.9
210.04564	0.3
211.14334	0.4
227.17561	1.3
229.11841	23.8
230.12241	1.1
245.18611	17.3
246.18983	0.8
247.12994	0.4
269.77634	0.4
297.18115	0.8
311.18414	0.4
314.20776	0.4
342.20224	2.9
420.74573	0.3
473.20203	2.3
473.27811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.05055	0.8
56.96571	2.5
63.36552	0.7
69.07069	0.9
69.67043	2.1
69.67430	2.2
70.06590	7.7
72.08160	7.5
75.26444	0.9
84.04520	2.4
84.08146	12.6
85.02925	1.9
86.09707	100.0
87.10044	1.8
95.10062	0.8
98.97594	3.2
102.05547	1.2
112.08747	1.9
115.08659	1.0
117.03330	1.1
127.64946	0.9
128.98706	0.9
129.10243	7.6
130.93298	1.0
132.10213	58.7
133.10535	1.6
136.06207	1.0
152.05730	1.4
163.03914	8.0
176.93733	1.1
177.00989	1.4
181.04964	3.7
200.06143	0.9
201.12358	1.2
202.07715	1.6
218.94727	0.9
219.02063	1.1
229.11877	1.8
230.07207	2.7
243.26437	0.9
246.03329	1.0
246.18224	1.8
253.16702	1.4
262.13834	1.0
270.11899	0.9
271.12198	1.3
282.06677	1.1
299.11621	1.8
300.07825	2.3
318.08829	1.2
332.03232	0.9
343.10431	1.8
360.11740	1.0
361.11917	2.4
361.16437	1.0
367.15283	1.0
369.51840	1.0
378.03592	1.0
400.09399	3.0
402.11002	1.8
402.69296	2.2
403.19348	1.9
403.69373	1.4
409.13815	1.1
409.67572	0.9
474.17517	2.9
474.25870	7.0
492.18466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.8
56.05036	3.3
57.05828	0.8
58.06601	100.0
59.06943	1.2
59.08977	0.7
60.04548	0.8
67.83515	0.7
69.07076	2.2
69.41692	3.3
70.02950	1.1
70.06594	10.3
72.08156	96.9
73.05313	0.7
73.08488	1.9
74.06075	2.7
80.56841	0.6
82.06615	1.4
83.06117	1.2
84.04506	8.0
84.08147	11.6
85.02912	0.9
86.09705	32.3
87.10024	2.0
87.96550	0.7
88.03986	4.9
88.07635	2.4
91.05464	1.0
96.08160	1.0
98.02431	0.8
98.09712	0.8
101.07159	3.0
102.05541	2.2
104.07145	4.2
107.04953	0.8
110.07171	2.8
110.09697	1.1
112.08739	1.1
115.08704	1.0
118.08666	3.0
119.04969	0.8
120.08086	3.7
121.02818	0.8
121.08439	1.1
126.38152	0.7
127.08672	4.7
128.10725	2.7
129.06557	1.5
129.10240	73.4
130.04988	1.2
130.10576	1.9
131.11839	1.1
132.10216	1.8
134.08170	1.1
137.06021	0.7
139.08658	0.7
141.10228	0.9
142.08597	4.9
142.12259	0.9
144.06573	4.3
147.04453	1.0
147.07626	1.2
148.04842	0.9
152.07066	3.8
155.08163	0.8
157.09729	26.2
161.09222	5.1
169.09756	2.1
170.08083	1.7
171.11284	1.1
173.12842	3.9
183.11259	1.2
183.14922	2.7
185.12848	0.9
187.10785	30.3
187.12498	1.5
187.14304	3.5
197.12801	1.5
200.13916	2.7
201.12236	3.2
203.13893	5.9
211.14340	1.5
215.10274	11.6
215.13902	3.0
228.13417	1.1
229.11829	1.5
233.14951	1.4
242.15019	1.8
254.11313	1.0
260.16135	1.6
272.12402	42.3
273.12796	1.9
274.17542	3.8
286.13812	1.6
288.20285	1.0
294.05124	1.1
307.05930	1.5
325.07062	0.9
325.18738	1.7
326.17014	1.6
337.07050	2.7
343.15994	1.2
343.19754	9.0
355.07993	1.4
371.19205	2.6
379.08005	1.2
391.07626	0.8
439.10318	1.4
456.24524	1.3
457.10947	1.3
474.26947	38.4
475.27673	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	474.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95457	0.3
55.01871	0.7
55.05513	0.6
56.05035	2.1
57.03428	0.7
57.05790	0.4
58.00095	0.3
58.06600	83.5
59.06939	0.9
61.02917	0.7
64.00111	0.3
65.38550	0.3
66.56636	0.3
69.03446	0.5
69.07071	1.9
70.02946	0.7
70.06586	2.9
71.29311	0.3
72.08155	5.9
72.19496	0.3
73.02922	1.5
73.05299	1.0
74.02438	1.0
74.06084	1.6
74.13147	0.3
76.67909	0.3
78.66285	0.3
79.05486	0.6
81.03391	0.3
84.04515	2.0
84.08144	2.4
85.02910	1.2
85.04030	0.8
86.09704	100.0
87.05600	3.2
87.10020	1.7
88.03980	4.5
88.07630	1.5
91.05482	0.5
93.03362	0.5
95.04952	0.4
96.04494	0.3
96.08130	1.0
98.02425	1.8
100.03996	1.6
101.07170	1.7
102.05537	0.5
103.03963	0.6
105.03416	0.4
109.02876	0.4
110.09663	0.8
111.04425	0.4
113.10761	0.8
116.03468	0.9
118.08656	1.9
119.04929	1.0
121.02872	4.4
126.85317	0.4
127.03891	0.4
128.10716	0.8
129.10236	2.8
133.06085	14.4
138.09143	2.5
141.10219	5.2
142.08673	0.5
142.12292	1.0
143.11784	2.4
144.06491	0.4
145.02847	1.5
147.04385	0.5
147.07620	0.5
149.02419	0.4
155.11789	0.5
156.10197	5.1
157.13382	0.4
163.03896	0.9
166.08627	0.7
171.11317	1.9
173.02449	0.7
176.01053	0.8
177.01770	0.6
183.11296	3.7
184.09702	1.4
186.16966	0.5
187.03879	0.5
187.10788	0.9
187.14418	7.0
189.01808	2.3
190.02565	0.5
191.03424	2.4
194.02168	0.5
200.13905	0.7
201.12340	42.6
202.12688	1.0
203.13881	0.4
207.02931	1.4
213.05392	0.4
215.03346	0.4
215.13942	3.4
219.02884	1.4
227.17564	0.7
228.13490	0.8
229.11830	41.3
230.12119	1.6
231.02797	0.4
233.04291	0.4
242.15056	0.6
243.13210	0.3
246.14488	15.5
247.12720	0.5
247.14973	0.5
248.78258	0.4
260.16113	0.7
261.14648	0.7
268.07220	0.7
272.12589	0.4
272.16077	1.4
276.19559	0.4
279.06732	0.8
280.07202	0.7
281.08057	1.4
283.05988	0.5
284.06885	0.5
286.17624	1.2
291.06589	0.5
294.05228	7.9
295.05991	3.2
296.06851	0.6
296.19650	0.7
297.07596	1.2
297.18216	1.1
305.08011	0.5
307.06006	11.4
308.06750	3.1
309.07562	3.1
312.21667	5.2
313.07077	0.9
314.20715	0.8
319.06125	2.5
320.06793	0.5
321.07523	1.3
324.19196	0.5
325.07050	6.9
333.07520	0.9
336.06219	1.6
337.07056	18.3
342.20227	4.7
347.09244	0.4
349.07104	1.4
351.08652	1.1
355.08151	8.4
357.25140	1.0
361.07104	0.8
367.08133	2.7
367.52539	0.4
369.21133	0.6
375.08676	0.5
379.08118	8.3
391.08115	4.0
403.08231	0.8
409.09546	0.4
421.09183	4.3
439.10196	4.4
440.41068	0.4
457.11331	8.1
474.26941	30.4
475.11490	3.0
475.27353	1.8
487.18143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38457	0.3
56.05038	1.9
58.06600	100.0
59.06935	1.2
66.90626	0.3
69.07066	0.5
69.48784	0.6
69.49209	0.9
70.06600	0.6
72.08163	1.0
73.02920	0.4
73.05304	1.0
73.08476	0.2
84.04507	0.6
84.08155	0.7
85.02918	0.7
86.09704	18.8
87.10001	0.3
88.04008	0.8
88.07623	2.1
90.03807	0.3
98.23367	0.3
100.04011	0.3
101.07159	0.6
102.89370	0.3
118.08642	1.9
119.04921	0.3
121.02875	1.3
129.10219	0.6
132.69267	0.3
133.06075	2.3
141.10237	1.0
143.11848	0.9
145.02800	0.3
156.10228	1.0
171.11285	0.6
176.01047	0.3
183.11282	0.6
187.14406	1.7
189.01855	0.6
191.03429	0.5
201.12320	7.5
201.14076	0.5
207.02885	0.5
215.13925	0.8
219.02930	0.4
229.11821	7.7
230.11951	0.3
245.00996	0.3
246.14465	3.2
265.08990	0.3
272.15948	0.3
281.08197	0.3
286.17694	0.5
294.05176	2.1
295.06161	0.5
297.07553	0.5
307.06067	3.2
308.06900	0.6
309.07532	0.6
312.21680	5.7
312.25034	0.5
313.22116	0.4
319.05948	0.8
321.07513	0.4
322.08350	0.3
325.07098	1.6
337.07019	4.3
342.20212	0.6
349.06870	0.3
351.08917	0.6
355.08084	2.3
361.06982	0.4
367.08267	0.4
379.08133	1.7
391.08163	0.9
421.09079	0.8
434.17065	0.3
439.10266	1.2
457.11533	2.0
474.26953	29.8
475.11426	0.4
475.27512	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60385	0.3
51.88945	0.3
52.56812	0.4
55.05510	2.6
56.05034	3.8
57.05817	0.3
67.05496	0.9
67.47723	0.3
68.05002	0.4
69.03484	0.3
69.07051	1.0
69.71596	0.7
69.71947	0.9
70.06593	5.7
72.08154	19.8
82.06599	0.9
84.04491	1.9
84.08142	100.0
85.02912	0.4
85.06533	0.5
85.08472	1.9
86.09704	17.1
87.10017	0.4
88.03996	0.6
95.06079	0.4
96.08139	1.0
99.17313	0.3
99.48814	0.4
101.10773	5.2
102.05540	0.6
102.09164	0.4
103.52338	0.3
110.06070	0.4
110.07086	0.4
111.09194	1.2
112.07594	0.8
112.08762	1.0
115.08720	0.5
124.46487	0.3
126.12751	0.4
127.08701	0.5
129.10240	53.7
130.04982	0.8
130.08670	1.1
130.10619	0.9
133.06068	0.4
134.04495	0.3
136.07582	0.5
140.08156	0.5
141.10223	1.2
147.07617	0.5
147.11313	1.5
152.14326	2.2
156.10194	0.6
158.09274	0.4
162.07698	0.4
175.11914	0.6
179.15454	0.7
183.14920	4.0
185.05522	0.3
185.16490	4.0
187.10931	0.6
197.16466	5.5
201.12325	1.5
213.15932	3.2
214.19194	0.9
224.17563	2.9
225.16005	0.9
228.09930	0.3
229.11960	1.0
233.11249	3.0
242.18620	6.1
245.07733	0.3
246.18271	0.9
247.13135	0.3
251.36676	0.3
262.10471	0.6
278.22284	0.7
306.21814	0.6
313.26074	0.8
323.24411	2.3
324.22983	1.0
341.25470	5.4
342.26001	0.5
346.19861	0.8
404.47620	0.4
456.28476	0.5
457.26782	0.9
474.29391	31.9
475.29831	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	474.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20566	7.1
55.05507	25.0
57.03427	13.0
60.96268	6.9
67.05506	56.7
69.03443	10.0
69.07059	18.0
71.04972	8.6
79.05501	74.7
81.07061	74.8
83.08625	11.1
85.02907	30.6
90.76611	7.1
91.05478	46.2
93.07045	98.1
95.04987	14.2
95.08609	75.5
97.10145	7.2
105.07031	32.3
107.08592	66.6
109.10172	32.6
117.06998	9.7
119.08597	23.0
121.10167	73.6
123.08024	13.6
123.11734	9.5
131.08569	17.2
133.10138	32.5
135.11694	54.1
145.10143	24.7
147.11668	15.3
149.13261	32.4
159.11710	23.6
161.13266	8.8
173.13223	9.3
175.14871	8.3
185.13300	11.8
187.14839	13.9
205.15794	9.3
207.11975	8.0
237.18489	8.6
241.19353	8.8
259.20593	13.9
277.21622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.7
55.05504	23.2
67.05505	74.8
69.07066	39.9
69.92712	38.5
70.06567	14.3
71.04984	12.0
79.03260	9.2
79.05501	82.7
81.07066	74.6
83.08642	18.0
84.08184	9.9
85.02911	31.8
87.19043	9.7
91.05474	45.1
93.07051	86.2
93.69093	8.8
95.08601	42.6
97.02880	17.2
97.06513	21.0
97.10188	10.8
98.22732	13.6
105.07053	30.2
107.08607	71.9
109.10149	38.9
119.08575	27.7
121.10117	51.8
133.10103	19.8
135.11710	49.9
145.10104	13.8
147.11714	24.9
149.13271	21.5
159.11610	17.7
161.13268	12.9
173.11725	14.5
259.20651	15.3
277.21643	100.0
278.21600	11.0
369.27481	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	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74577	1.0
55.05511	2.1
57.03449	5.8
57.07078	10.4
57.28055	0.9
58.06605	40.3
59.05015	1.1
59.07390	11.5
60.08167	9.7
67.05508	4.1
69.07067	2.5
69.37835	5.7
71.08643	6.1
73.02905	1.4
75.04485	4.1
81.07070	4.6
81.17969	1.1
83.08627	3.6
85.02908	1.9
85.10188	4.0
87.04457	5.2
88.68058	1.0
89.31313	0.9
93.07047	1.7
95.08607	5.0
97.10257	1.0
98.23337	1.2
105.05524	1.1
107.08620	1.3
109.10150	2.0
113.05998	1.9
121.10162	1.1
131.07010	1.8
139.11221	1.3
144.10214	8.9
147.08740	0.9
147.11722	1.0
154.94258	1.0
162.11255	2.1
172.95224	1.1
218.14085	0.9
236.14929	98.8
237.15305	2.3
313.27304	1.8
424.30154	0.9
456.36819	25.5
457.37161	2.7
474.20242	2.1
474.37921	100.0
475.38437	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	475.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
58.06603	0.7
59.94073	0.4
63.19230	0.4
63.99991	0.5
65.34397	0.3
67.05505	0.9
68.08171	0.4
69.03422	0.8
69.07050	0.7
70.06588	2.1
71.29950	0.7
72.08151	4.5
79.05496	0.7
81.03448	0.4
81.07047	1.4
84.04544	0.4
84.08147	1.2
85.02918	0.9
86.09717	2.7
87.10048	0.4
91.05489	0.4
93.07054	1.0
95.04980	0.5
95.08633	0.8
97.02901	0.4
99.04507	0.5
105.03413	0.4
105.07027	0.8
107.04916	0.4
107.08576	0.8
107.87168	0.4
109.10156	0.9
119.08593	0.5
120.08075	0.6
121.10184	0.7
124.86485	0.4
127.03931	0.7
129.10184	0.8
131.08562	0.5
137.06010	0.4
151.07520	0.7
156.13676	0.4
164.07477	0.6
165.09143	1.5
167.07018	0.5
177.09067	0.4
185.09560	0.4
198.69398	0.4
277.15857	0.4
313.07227	0.6
329.08823	0.5
331.17242	4.5
363.09613	0.4
370.28186	0.4
373.18286	1.1
413.21487	10.0
414.21722	0.9
415.19373	6.6
448.22293	0.6
457.20056	0.8
475.21524	100.0
475.31693	13.4
475.83151	1.0
476.21857	7.0
476.32388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
65.05688	2.4
69.07049	3.6
69.41624	11.6
71.04999	2.8
75.13283	2.4
77.50784	2.4
79.05477	4.7
81.07051	9.5
86.09718	2.6
93.07063	5.0
93.29567	2.1
95.08611	8.4
98.22623	2.4
105.07038	3.9
107.08596	7.1
109.10155	6.6
119.08551	4.9
121.10144	4.0
123.08061	3.3
131.08534	3.3
139.03687	3.0
145.10130	5.2
147.11697	4.2
157.10196	3.2
158.87735	2.3
169.12212	2.3
176.42732	2.5
185.88934	2.8
187.14774	5.7
195.09930	100.0
213.10980	3.7
227.17752	3.0
229.15649	16.3
247.17232	2.8
264.52213	2.8
285.18268	28.6
286.18857	6.1
303.19193	4.1
457.29111	10.5
475.30869	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	475.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.2
57.57692	3.2
67.05511	9.6
69.03469	3.9
69.07072	7.0
69.13133	7.1
69.13540	19.8
70.06581	6.1
76.51805	3.7
79.05481	7.8
79.13352	3.5
80.02393	12.6
81.07052	19.0
82.00312	8.4
84.08138	3.9
91.05482	7.6
93.07037	10.2
94.17583	4.0
95.04962	4.7
95.08608	12.0
105.06994	7.7
107.08588	10.0
109.10140	11.8
117.07018	4.7
119.08604	11.6
121.10166	4.4
123.11739	5.6
129.06953	3.7
129.10269	5.7
131.08595	8.0
133.10132	7.7
133.69209	3.5
139.03659	55.7
145.10130	14.1
145.81853	3.1
151.07552	4.8
157.10165	4.3
158.88245	3.8
165.09137	7.6
175.11084	4.2
187.10966	5.0
187.14876	13.7
195.09952	55.8
201.50797	3.5
213.10965	8.4
227.17966	6.0
228.14828	5.4
229.15627	100.0
230.16179	5.1
245.18892	4.5
260.13925	3.9
271.16666	5.5
285.18265	47.5
286.18942	16.8
329.17154	7.0
329.20850	77.3
337.07239	4.1
457.29169	34.4
475.30090	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01863	0.8
56.05023	2.0
60.04522	1.8
61.27627	0.4
64.54999	0.5
68.05025	1.2
69.03426	4.3
69.07345	3.9
70.06596	4.2
71.04962	0.8
72.08147	2.0
74.06068	0.9
74.45677	0.5
79.57767	0.5
80.05016	1.4
81.03424	4.5
82.06570	1.0
83.01305	0.5
83.04975	0.8
84.04504	20.8
84.08146	2.3
85.02923	0.6
86.09708	2.1
96.04491	20.5
97.02895	3.7
98.02412	0.6
98.06052	8.7
99.04458	1.3
102.05554	9.5
108.04469	1.5
108.68832	0.5
109.02872	5.7
110.06050	0.6
114.05507	0.6
116.07082	9.3
124.03949	0.7
126.05518	19.7
127.03895	1.6
129.10231	1.5
130.05003	9.3
138.05501	100.0
139.05826	3.5
144.06555	24.5
148.06044	41.1
159.07623	0.5
159.09146	0.5
162.93156	0.4
168.06564	17.4
169.06731	0.4
186.07625	14.3
188.09277	0.5
213.08929	0.5
230.10254	0.8
233.89566	0.4
242.48250	0.5
258.09674	1.2
273.10880	1.3
291.11859	5.5
301.13937	21.9
302.14200	1.1
329.13400	10.2
330.13480	0.9
361.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01862	0.6
55.05497	0.4
56.05025	2.0
60.04517	2.0
63.77462	0.5
68.05017	1.4
69.03426	4.6
69.07310	3.9
69.07710	0.8
70.06598	3.9
72.05762	0.5
72.08153	1.0
74.06053	0.8
79.63132	0.6
80.05019	1.4
81.03403	3.8
82.06588	1.1
82.96008	0.5
83.01356	1.1
83.04994	0.8
84.04507	22.6
84.08144	0.8
85.02902	0.7
85.04868	0.5
86.09702	1.3
96.04490	21.2
97.02898	4.2
98.06062	8.9
98.22597	1.1
99.04452	1.8
101.02353	0.7
102.05534	11.0
108.04465	0.8
109.02863	5.3
110.06078	0.7
116.07089	10.4
126.05518	17.7
127.03888	2.1
127.04797	0.6
129.10303	0.8
130.05009	9.0
138.05502	100.0
139.05833	2.5
144.06558	23.9
148.06047	39.1
149.06415	0.8
149.60425	0.5
152.07033	0.5
156.06653	0.5
168.06552	19.4
181.44475	0.5
186.07610	15.2
188.09198	0.6
210.01981	0.5
218.51555	0.5
230.10229	1.3
258.09781	1.4
273.10941	1.2
291.11917	4.6
301.13922	21.7
302.14130	0.8
329.13391	9.2
330.13864	0.8
476.27783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.05506	4.7
57.03436	22.5
58.06607	4.2
59.04997	3.8
60.04531	4.3
61.02929	4.5
64.59520	2.2
67.05496	4.3
69.03431	69.1
69.07049	4.8
70.06592	26.7
71.05009	5.4
71.29711	2.6
72.08162	24.4
73.02916	11.6
75.65187	2.0
78.60388	2.2
79.05481	6.0
81.03410	16.2
81.06631	2.5
81.07075	6.6
84.04515	6.3
84.08153	6.4
85.02906	100.0
86.09701	29.7
87.04471	42.7
87.10036	6.5
91.05495	4.0
95.04965	3.2
95.08619	6.9
97.02895	71.5
99.04456	29.3
100.11282	7.3
103.03949	59.0
105.07030	10.1
107.04959	49.1
107.08615	3.7
109.02884	17.1
109.10217	3.0
110.07172	3.3
111.04491	2.9
115.03932	67.2
115.05563	2.3
115.26571	2.2
119.04965	3.2
119.08573	2.7
120.08118	8.9
121.10187	2.4
122.59328	2.7
124.05240	8.8
127.03912	68.3
128.10660	3.2
129.10216	4.2
131.08522	2.2
133.04968	64.5
133.06462	4.2
135.08028	11.3
137.05991	12.2
138.09035	2.5
143.08574	2.7
145.04962	47.5
148.06078	8.1
150.07645	10.0
153.12665	2.5
163.06023	33.7
165.09142	30.1
168.25562	2.3
169.04912	2.9
171.11650	2.5
173.13133	2.9
182.15509	3.8
187.06046	4.5
189.09041	2.9
205.07199	4.9
210.14928	4.1
240.07732	2.4
283.17059	2.4
286.04916	3.5
289.09238	3.8
300.09793	3.3
301.07050	3.9
301.17960	10.1
307.10281	7.3
314.26865	6.8
476.22348	4.4
476.33194	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03941	0.9
65.43478	0.3
69.05930	1.1
69.06354	1.4
70.06591	0.4
73.21424	0.3
74.04485	0.3
77.03938	0.4
79.05488	1.0
85.06549	0.5
91.08096	0.3
95.04980	1.3
98.23386	0.6
100.11274	0.4
105.04510	0.5
107.04958	100.0
108.05290	2.8
115.65271	0.3
116.65936	0.3
137.35591	0.2
261.83755	0.3
340.43759	0.3
402.53690	0.3
475.32288	0.4
476.32642	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	476.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
56.05037	3.4
56.05820	0.3
57.05800	0.4
57.41953	0.3
58.06593	1.2
59.77563	0.3
60.04516	2.5
63.73091	0.4
66.30769	0.3
67.05490	0.7
68.04999	0.4
69.03442	0.8
69.07069	6.0
70.02942	0.4
70.06590	8.9
71.29144	0.6
72.08157	25.9
73.08479	0.7
74.02438	0.4
74.06079	10.8
79.05508	1.0
81.07070	0.7
82.06571	0.4
84.04501	3.7
84.08143	8.5
85.02895	0.6
85.08479	0.6
86.09706	100.0
86.53146	0.3
87.05594	0.7
87.09549	0.3
87.10033	2.5
88.04000	0.5
89.03924	0.3
91.05483	0.4
93.07040	0.4
96.08121	0.4
98.02412	0.7
98.06068	2.6
98.09695	0.6
99.05579	1.1
100.07588	0.4
101.07146	0.6
102.05543	0.8
105.07092	0.4
110.07175	1.2
110.09679	0.7
112.08745	0.7
112.11254	0.5
114.09210	0.4
115.05091	0.4
115.08706	1.0
116.07091	6.6
117.03433	0.3
117.06645	0.5
120.08128	1.5
125.07154	0.5
127.05027	3.4
127.08709	0.6
127.12407	0.4
128.10728	2.3
129.10226	3.9
130.05006	0.5
130.06541	0.4
135.04445	0.5
138.09175	0.5
143.08112	1.8
143.11855	0.5
144.06622	0.8
144.07631	0.5
145.02843	0.4
147.04411	0.5
153.06642	0.5
153.51685	0.4
155.08176	0.4
155.11766	0.5
155.66046	0.4
159.07655	0.5
159.09186	0.6
159.11334	0.6
161.09225	6.2
162.07582	0.4
163.03891	6.2
166.05365	0.6
171.07658	6.1
171.11324	0.4
173.12846	3.8
175.10757	4.4
175.12007	0.4
183.11366	0.7
185.16479	3.9
187.10768	0.9
187.14464	0.4
189.08707	8.1
199.10751	0.5
199.14499	0.5
201.12395	2.3
202.12621	0.6
212.14046	0.7
213.16002	5.1
215.13992	0.6
229.11841	0.7
234.12357	0.4
240.13474	0.4
244.13046	0.6
248.13338	0.4
256.16647	1.0
258.14581	0.5
270.14499	0.6
274.17676	0.5
278.21240	0.6
279.13959	0.8
284.16052	17.6
285.16464	1.5
288.19189	1.7
296.22232	3.0
300.19189	0.7
302.17093	10.6
303.17587	0.7
314.23282	7.5
314.26859	0.5
315.04886	1.2
315.23776	0.6
356.23489	0.3
373.24527	1.6
383.23083	0.5
393.23157	0.4
401.23874	2.9
430.24286	1.1
440.26859	0.6
458.27554	0.9
476.28650	11.8
477.29086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88527	0.7
53.03948	3.0
55.05519	8.1
57.03449	8.5
60.21770	0.8
62.41263	0.8
65.03959	1.4
67.05514	30.8
68.05842	1.0
69.07075	8.8
70.98962	1.0
71.04996	1.2
76.58322	0.8
79.05502	16.3
81.06590	1.8
81.07064	27.7
81.07529	1.7
82.07421	1.6
83.08640	2.7
85.06522	0.9
91.05504	7.9
93.07052	18.9
95.04994	1.3
95.08616	19.0
98.98489	1.3
105.07052	3.6
107.08618	7.7
109.06532	0.9
109.10155	8.7
109.10687	0.8
111.08102	1.0
117.07056	1.1
119.08595	3.4
121.10155	5.3
123.11691	1.7
125.67448	1.0
131.08588	2.4
133.10167	2.4
135.11711	2.8
145.10173	1.6
147.11678	1.1
149.13264	1.8
156.16850	0.9
159.11784	1.2
216.06444	0.9
304.26563	1.7
335.25833	100.0
336.26169	8.2
402.59109	0.9
409.74655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84885	1.5
55.05514	6.6
57.03437	4.1
62.05794	3.1
62.06087	43.2
67.05503	33.8
69.07074	8.3
69.70621	7.9
79.05489	20.0
81.07053	28.5
83.08622	3.9
91.05471	10.4
93.07033	21.7
95.08598	23.8
98.06042	4.0
98.98443	10.7
101.06028	1.6
105.07037	7.3
107.08590	13.3
109.10151	6.8
117.07000	2.6
119.08556	7.9
119.95123	1.6
121.10150	6.6
121.63663	1.4
123.11674	2.4
124.01578	1.5
131.08571	4.6
131.62918	1.7
133.10129	6.3
135.11711	5.4
140.46819	1.3
142.02663	2.5
145.10132	2.2
147.11652	3.1
149.13255	4.5
155.01082	2.6
163.80890	1.6
173.02145	4.1
198.05261	2.6
201.16483	2.0
216.06287	3.9
255.29333	1.5
261.22086	6.2
265.07303	1.8
304.26328	26.6
331.48166	1.8
335.25787	100.0
336.26099	6.7
458.26810	2.4
476.27206	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	476.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70494	1.3
53.03930	1.6
55.05494	1.5
57.07080	2.3
62.32389	1.4
74.15445	1.4
79.05500	15.1
81.07058	2.1
91.05483	33.3
93.07044	1.5
95.08617	3.4
98.23456	3.1
103.05468	6.3
105.07034	61.6
106.07336	2.3
107.08601	5.0
109.10139	1.7
118.66968	1.4
133.06494	47.0
134.06796	1.5
135.08055	100.0
136.08377	2.7
145.10231	2.0
151.07550	15.4
167.05336	1.7
171.11682	1.4
180.43300	1.3
181.10179	2.8
181.62834	1.3
184.89798	1.2
198.12791	27.1
198.14557	2.9
199.13069	1.4
229.17227	2.2
279.17752	38.6
436.85684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	1.3
59.05001	0.4
61.92553	0.3
63.21670	0.4
69.03416	0.7
70.06580	2.8
70.91950	0.6
72.08153	1.8
73.06556	1.3
78.20589	0.4
85.02880	0.5
86.09705	2.4
87.04465	8.0
87.10056	0.4
89.06030	100.0
90.05843	0.3
90.06362	1.5
91.07583	0.8
95.08626	0.4
98.09704	0.4
102.62232	0.4
107.07059	1.3
109.02895	0.4
117.09142	0.7
120.08109	1.3
128.10727	0.5
130.08661	0.5
131.07045	2.8
133.08598	58.1
134.08955	1.2
135.10155	0.7
159.09256	0.5
175.09673	1.1
177.11220	21.3
178.11591	0.5
201.12245	0.4
219.12175	0.5
221.13841	4.2
223.15382	0.4
239.14801	0.8
244.17126	0.4
265.16382	1.0
283.17593	1.2
314.23123	0.9
314.26608	0.5
321.10657	0.4
327.20093	0.7
371.22632	1.4
415.25357	0.8
423.14093	0.5
459.27985	8.4
476.28265	1.2
477.19608	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	477.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67255	1.0
59.38150	0.7
66.77557	0.6
67.05498	1.6
69.07089	1.0
70.95309	1.2
81.07037	1.0
82.68901	0.8
90.93595	0.7
93.98888	0.8
106.16355	0.7
124.93771	75.3
142.93687	1.8
142.94823	36.6
149.02409	1.5
193.05017	1.3
198.97447	6.5
330.96115	0.8
337.27322	3.9
375.25238	0.9
459.11185	3.7
459.18732	23.7
460.19312	2.4
477.19904	100.0
478.20258	6.0
478.35440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.0
55.01875	3.6
55.05510	12.4
57.03420	3.1
57.07079	10.7
59.04984	4.8
65.03941	3.6
67.05498	10.6
67.85766	2.3
69.03429	19.0
69.07066	7.7
70.06590	25.7
71.04996	8.6
72.08153	22.0
74.06086	2.4
79.05506	17.5
81.03415	32.7
81.07061	16.5
83.04980	55.2
83.08667	3.2
84.04490	3.8
84.08150	5.4
85.02905	84.0
85.06554	5.6
86.09708	22.0
86.24851	3.1
91.05478	33.9
93.07040	28.7
95.04967	13.1
95.08623	24.9
96.08137	7.8
97.02884	29.3
97.06541	13.0
97.08482	3.2
99.04447	34.3
99.08107	8.0
103.03939	31.3
103.05429	3.0
105.07028	25.2
107.04967	2.9
107.08592	96.0
109.02874	94.4
109.06521	17.3
109.10159	10.6
111.08094	6.7
113.09653	7.7
114.09171	23.1
115.09557	6.2
116.06232	3.3
119.06012	2.7
119.08591	16.1
120.08120	7.5
121.06517	9.3
121.10174	10.7
123.04460	4.3
123.08052	3.7
123.11726	5.5
125.06026	3.8
127.03915	100.0
127.07549	3.1
127.11194	5.4
128.10704	4.4
129.07025	4.6
131.08562	72.5
131.09500	4.7
133.06519	4.4
133.10089	4.7
135.08115	3.5
135.11707	6.7
137.06010	3.9
137.09631	6.6
145.04955	20.7
145.06528	4.4
145.10143	6.4
147.08076	4.8
147.11707	16.7
149.09615	18.1
151.07602	5.1
153.12727	47.5
155.14299	5.7
156.09328	3.5
157.10316	3.0
161.09572	3.3
161.13211	2.4
163.06009	5.2
163.07533	2.7
165.12772	3.9
171.11678	3.7
171.13835	9.1
175.07527	2.8
177.05478	4.7
187.06000	4.1
187.11208	2.8
189.12761	39.4
205.12309	3.9
207.13783	29.1
208.14297	3.1
209.08125	3.6
211.53461	2.5
215.13960	4.1
253.07054	3.8
271.08188	5.8
297.71661	2.7
314.27100	5.1
315.15930	2.7
315.27271	6.5
351.17996	4.6
359.83270	2.8
390.26877	3.8
412.45660	2.6
433.22253	10.3
459.20197	13.2
476.32632	12.9
477.21619	4.2
477.33160	26.6
478.33524	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	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90971	2.3
53.03947	14.1
55.01867	5.5
55.05512	14.5
57.03428	5.9
57.07077	16.6
59.47836	2.2
67.05499	8.8
69.03423	24.6
69.07064	5.6
70.06599	25.4
71.04987	6.5
72.08149	16.6
79.05502	14.5
80.73752	2.8
81.03424	29.0
81.07061	16.5
83.04982	54.4
83.08621	2.8
84.04516	2.9
85.02908	74.8
85.06551	6.5
86.09710	21.6
91.05486	32.9
93.07035	24.3
95.04966	10.3
95.08597	19.2
97.02895	22.9
97.06553	13.0
98.23451	6.5
99.04460	34.0
99.08104	11.1
103.03934	21.2
105.07036	22.7
107.04929	4.8
107.08599	100.0
109.02882	90.4
109.05865	2.3
109.06497	15.1
109.10149	8.3
110.07187	3.7
111.04458	2.8
111.08026	5.3
117.07002	4.7
119.04977	3.0
119.08583	14.7
120.08101	10.0
121.06516	5.4
121.10159	15.6
123.04408	2.4
123.08041	4.4
123.11726	7.6
127.03920	88.3
127.11246	3.3
129.07034	6.3
131.08568	74.4
132.08894	2.8
133.10149	3.6
135.08066	4.4
135.11617	3.1
137.05923	3.7
137.09607	9.6
145.03989	2.7
145.04974	13.2
145.06055	2.4
145.10127	7.2
147.08041	3.9
147.11696	21.8
149.09636	18.5
151.07536	3.8
153.12743	27.3
155.14314	16.9
155.89006	2.9
159.08025	3.3
161.13237	2.7
163.06157	5.5
165.09195	3.8
165.12834	4.7
171.11644	3.9
171.13847	9.5
173.13210	3.1
175.11180	2.7
186.12422	3.2
189.12750	29.1
195.13818	5.3
207.13817	32.6
209.08066	3.1
217.12384	3.2
253.07249	3.9
271.08157	4.5
315.15833	2.7
315.27509	2.8
316.28397	4.4
336.49741	3.5
351.18015	6.3
433.22150	6.4
459.20224	10.3
476.32391	6.3
477.21808	3.5
477.33115	20.9
478.33704	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72013	3.3
55.01872	7.0
55.05509	23.1
55.05736	3.6
56.05038	5.0
57.03437	13.9
57.07072	48.2
58.06603	30.2
59.67246	3.7
67.05510	11.4
69.03416	20.1
69.07077	13.6
70.06590	80.0
71.04998	6.4
71.33925	5.2
72.08155	81.4
73.08472	9.4
78.56100	3.9
79.05509	8.6
81.03422	18.0
81.07066	43.2
83.04983	45.6
83.08608	3.8
84.04508	6.0
84.08152	16.5
85.02903	43.5
85.06553	13.6
86.09705	68.6
87.04461	6.7
91.05474	10.6
93.07040	11.3
95.04964	9.3
95.08620	16.9
97.02876	21.4
99.04456	24.6
99.08097	19.6
103.03946	35.2
104.05328	7.5
105.07067	9.3
106.29144	4.2
107.08601	11.0
109.02892	21.5
109.06530	8.0
109.10178	13.1
110.07186	7.6
111.08092	8.5
115.03986	6.7
116.07090	6.2
117.07014	5.4
119.08597	10.6
120.08103	43.1
121.06515	4.5
121.10149	8.0
122.72758	3.6
123.08020	6.5
123.11761	6.0
127.03916	52.8
127.08704	8.5
127.11205	7.2
129.10265	14.0
132.08159	3.8
133.10075	6.5
135.08078	6.5
137.09624	10.4
145.05034	19.2
149.09669	5.5
149.13231	4.8
151.07539	5.6
151.11166	6.3
153.12738	64.9
153.16281	3.9
155.14310	50.7
161.13293	6.8
171.13837	8.6
177.12727	5.5
189.12723	5.9
195.13840	9.1
207.13786	9.5
215.14055	5.3
235.10928	4.4
235.13258	9.2
245.12903	7.4
263.10162	6.5
280.22763	10.3
298.23648	6.9
311.21021	4.7
314.23166	8.1
315.23560	11.6
315.27231	6.7
316.24796	100.0
418.28485	5.3
477.18054	11.9
477.28458	35.4
478.30240	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90971	2.3
53.03947	14.1
55.01867	5.5
55.05512	14.5
57.03428	5.9
57.07077	16.6
59.47836	2.2
67.05499	8.8
69.03423	24.6
69.07064	5.6
70.06599	25.4
71.04987	6.5
72.08149	16.6
79.05502	14.5
80.73752	2.8
81.03424	29.0
81.07061	16.5
83.04982	54.4
83.08621	2.8
84.04516	2.9
85.02908	74.8
85.06551	6.5
86.09710	21.6
91.05486	32.9
93.07035	24.3
95.04966	10.3
95.08597	19.2
97.02895	22.9
97.06553	13.0
98.23451	6.5
99.04460	34.0
99.08104	11.1
103.03934	21.2
105.07036	22.7
107.04929	4.8
107.08599	100.0
109.02882	90.4
109.05865	2.3
109.06497	15.1
109.10149	8.3
110.07187	3.7
111.04458	2.8
111.08026	5.3
117.07002	4.7
119.04977	3.0
119.08583	14.7
120.08101	10.0
121.06516	5.4
121.10159	15.6
123.04408	2.4
123.08041	4.4
123.11726	7.6
127.03920	88.3
127.11246	3.3
129.07034	6.3
131.08568	74.4
132.08894	2.8
133.10149	3.6
135.08066	4.4
135.11617	3.1
137.05923	3.7
137.09607	9.6
145.03989	2.7
145.04974	13.2
145.06055	2.4
145.10127	7.2
147.08041	3.9
147.11696	21.8
149.09636	18.5
151.07536	3.8
153.12743	27.3
155.14314	16.9
155.89006	2.9
159.08025	3.3
161.13237	2.7
163.06157	5.5
165.09195	3.8
165.12834	4.7
171.11644	3.9
171.13847	9.5
173.13210	3.1
175.11180	2.7
186.12422	3.2
189.12750	29.1
195.13818	5.3
207.13817	32.6
209.08066	3.1
217.12384	3.2
253.07249	3.9
271.08157	4.5
315.15833	2.7
315.27509	2.8
316.28397	4.4
336.49741	3.5
351.18015	6.3
433.22150	6.4
459.20224	10.3
476.32391	6.3
477.21808	3.5
477.33115	20.9
478.33704	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	477.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66475	0.8
61.38879	0.8
67.05490	1.1
69.07060	0.9
71.30635	1.0
79.05500	1.0
93.07041	1.2
95.08595	2.1
105.06998	1.2
109.06524	1.1
119.08575	1.1
121.21677	0.8
152.41068	0.9
160.42523	0.9
185.04250	3.3
262.94531	0.9
315.19293	97.7
316.19595	7.5
333.18973	1.1
339.17886	0.9
346.17609	1.3
459.31226	1.4
477.24576	100.0
478.24960	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	477.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.6
67.29933	0.4
69.16921	1.0
69.17332	2.3
73.94160	0.4
81.07027	0.8
91.05432	0.9
92.75558	0.4
93.07069	0.6
95.08561	0.6
95.92301	0.6
119.08566	0.5
131.08548	0.5
137.62154	0.4
169.10066	0.6
185.04257	0.9
252.90773	0.4
315.19302	100.0
316.19638	5.1
431.25601	0.6
459.25018	0.5
477.24597	44.5
478.24997	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	477.3187
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
55.05518	1.0
62.98254	0.8
67.05506	1.3
81.07069	1.0
81.95621	0.5
83.08607	0.6
90.26366	0.4
93.07066	0.7
95.08580	1.1
98.98476	0.5
99.19442	0.4
132.37286	0.5
152.50586	0.5
157.01433	0.5
164.93071	1.5
187.14777	0.6
188.45285	0.4
198.97441	0.7
440.08426	0.5
445.29224	20.2
446.30029	2.2
447.31003	1.1
477.31863	100.0
478.32211	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	477.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.3
57.07076	20.7
59.05008	4.6
67.05508	36.3
69.07073	28.9
69.19772	12.3
69.20195	14.8
71.04993	13.8
71.08630	12.3
74.19454	3.7
75.82630	3.3
78.02570	3.4
79.05488	22.7
81.07059	89.6
81.45124	3.2
83.08623	13.2
85.06567	4.9
85.10194	7.1
91.05476	28.3
93.07051	68.3
95.04974	6.2
95.08607	100.0
96.08955	4.7
97.10166	11.3
98.22652	7.7
103.05471	3.2
105.07037	47.2
107.08598	60.4
109.06522	10.2
109.10163	50.8
111.08090	9.9
111.11711	7.8
113.09683	5.1
117.07081	3.8
119.08577	64.2
120.08960	3.8
121.10137	50.8
123.08074	4.9
123.11681	27.3
125.06019	4.7
127.07571	5.1
129.07010	6.0
131.08559	10.5
133.10124	24.4
135.11700	28.4
137.09619	8.7
137.13275	5.7
139.07570	15.8
143.08606	7.9
145.10109	27.2
147.11679	32.5
149.13251	36.9
151.07629	3.9
151.11133	3.6
157.10146	11.9
159.11703	34.5
161.13287	31.2
163.14815	21.5
165.12814	4.3
171.11792	7.9
173.13292	24.6
175.14851	22.5
177.12746	5.0
177.16370	8.6
179.14479	3.8
183.11726	3.6
187.14838	17.1
189.16402	12.5
191.17921	6.2
199.14812	6.1
201.16409	15.0
203.17889	16.8
211.14900	4.1
213.16415	9.8
215.18002	10.0
217.19455	17.7
229.19600	7.5
231.21017	6.4
263.16302	3.8
279.67801	4.4
285.25626	4.7
321.25104	3.8
327.30325	6.0
347.33167	3.9
393.00433	4.0
417.37000	4.8
419.36707	4.1
445.36758	17.4
459.39951	9.5
477.40765	54.9
478.41183	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	478.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.0
56.96566	3.8
58.99870	2.3
69.03413	1.4
69.07056	1.0
69.87994	4.5
70.06596	5.1
72.08158	4.9
74.06088	1.3
74.28060	0.8
81.03425	1.4
84.04507	2.3
84.08151	13.0
85.02914	1.7
85.04856	1.1
86.09731	2.3
94.99825	1.5
95.04989	1.3
97.02889	1.8
98.97581	3.9
101.00854	1.1
103.02495	0.9
105.00380	1.1
109.05218	0.8
109.79119	1.0
110.07173	1.6
110.97597	1.3
113.00879	12.0
115.02412	2.3
116.07117	1.0
116.98647	2.2
119.01924	1.9
123.04455	2.9
128.98640	1.3
129.10220	6.5
131.01917	34.4
132.02055	2.6
133.03499	1.5
136.06192	71.7
137.06630	1.0
138.05521	2.6
141.04010	3.2
143.01920	3.9
144.10205	1.2
145.03491	6.1
147.01488	1.2
149.02963	1.2
153.05534	1.7
155.01981	2.3
155.08203	0.9
157.03499	3.3
158.03185	2.4
159.05049	4.2
161.02942	2.1
167.01930	2.4
169.03496	1.7
173.02979	3.6
175.04533	1.8
176.04189	35.8
177.00746	1.3
177.04359	2.0
177.06081	2.7
179.03923	1.0
181.05096	0.9
181.07031	1.1
183.05034	1.2
185.02928	7.1
194.05247	100.0
195.05191	6.3
197.06773	1.9
199.08141	1.6
201.00656	1.1
203.04033	5.3
204.03761	4.3
207.05135	1.3
209.05290	3.7
212.06294	10.9
215.07779	1.3
217.04471	3.3
218.05249	50.2
219.01947	1.1
219.05249	2.2
221.05190	3.5
222.04631	4.9
223.04477	5.5
225.06081	3.4
230.05237	91.2
231.05569	5.0
232.06834	3.9
236.06422	5.0
237.02884	2.5
243.07260	1.9
244.06743	4.7
246.04900	5.2
248.06290	35.7
249.06410	2.6
251.04074	2.6
256.06842	4.3
258.08310	4.0
260.06305	3.0
264.06030	2.2
268.10388	4.8
269.05075	4.4
271.08112	1.2
272.06296	1.0
274.07919	3.5
276.09357	4.7
278.07468	1.4
284.06253	2.2
287.06143	1.3
290.07132	1.3
291.07535	1.9
294.10413	2.5
302.07330	5.6
308.08395	40.8
309.08539	9.4
316.21146	2.8
316.98810	1.3
320.08481	3.9
326.09464	55.2
327.09671	5.3
331.10089	1.7
343.05219	1.2
346.06201	1.3
384.53317	1.5
390.12589	1.1
416.10510	31.8
417.11023	5.2
434.11575	46.2
435.11865	5.2
460.09186	7.0
460.14630	0.9
478.10547	17.4
478.26685	5.9
479.10806	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	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51355	0.3
53.03949	0.7
55.01865	0.4
55.05517	0.5
56.05030	1.8
57.03442	0.6
58.06609	0.4
60.04525	1.1
61.01149	0.5
61.02908	0.5
67.05505	0.9
69.03425	1.6
69.07071	1.1
69.53545	1.8
70.06594	14.0
71.01344	0.5
71.05000	0.8
71.06927	0.7
72.08154	100.0
73.08497	1.3
73.81401	0.3
74.06071	1.0
81.03430	0.5
81.07058	0.6
82.06561	0.4
84.04505	0.9
84.08144	2.9
85.02885	1.9
86.09702	3.6
87.10067	0.4
91.05460	0.7
93.05762	0.4
93.07055	0.9
94.06568	1.7
94.24426	0.3
94.92483	0.3
95.04973	1.1
95.08626	1.2
97.02903	1.0
97.06538	0.8
98.06014	0.3
98.09737	0.4
99.04439	0.9
101.07127	0.6
102.05529	0.4
104.05349	0.4
105.07016	0.4
106.95859	0.3
107.08647	0.5
110.07135	1.7
111.06793	0.8
111.08118	0.5
112.08706	0.4
113.06000	0.8
116.07081	1.0
120.08099	2.0
123.04427	0.6
124.11230	1.7
127.03948	0.5
129.10248	2.3
131.08546	0.8
133.10132	0.4
136.07582	1.0
138.09126	2.3
141.10269	0.5
145.09756	0.5
149.09612	0.6
154.08649	0.8
155.09418	0.6
156.07701	0.7
157.09744	1.0
159.06531	0.6
159.09193	1.2
163.03897	0.4
169.09714	0.7
172.09680	4.0
185.09267	0.8
186.12465	0.4
192.59137	0.6
217.12024	0.5
236.20018	0.4
254.21216	1.8
256.19147	0.5
272.22241	1.5
298.20224	2.7
316.17563	7.5
316.21100	46.7
317.17950	0.6
317.21558	2.4
379.64319	0.3
404.31696	0.3
435.92145	0.4
450.92154	0.4
478.26511	46.7
479.27060	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	478.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.5
56.05046	1.2
57.05825	1.3
57.07083	0.4
58.06598	2.4
59.79703	0.3
60.50070	0.3
67.05516	0.7
69.03430	0.6
69.07085	0.6
70.02955	1.4
70.06597	4.4
71.06936	0.4
71.29431	0.4
71.29832	0.3
72.08156	100.0
73.08494	1.7
79.05500	0.9
79.56303	0.3
81.03426	0.4
81.07072	1.4
82.06570	3.2
83.08566	0.3
84.04498	0.4
84.08131	1.4
85.02909	1.2
85.04054	1.4
86.09710	2.7
87.05589	6.8
88.03996	1.4
93.07032	0.5
94.06570	0.6
95.08620	0.9
96.08126	3.1
97.02915	0.6
97.10160	0.5
98.02409	5.6
98.09695	0.6
99.09201	3.4
100.07631	0.5
102.87352	0.4
103.03936	0.4
103.05470	0.6
107.08598	0.4
109.02866	0.3
109.10151	0.4
110.02413	0.4
110.09683	0.3
115.05071	0.8
116.07123	0.3
118.51388	0.3
120.07229	0.5
120.08105	9.8
124.07598	4.2
125.09650	0.6
127.03865	0.7
127.08681	18.0
129.10266	0.9
130.06554	0.3
135.11740	0.3
136.07591	0.5
141.10231	19.3
142.10545	0.4
144.06575	0.3
146.06027	0.4
152.07079	1.2
166.08640	5.2
168.11334	0.4
169.09724	12.1
170.10112	0.4
171.11656	0.3
171.14981	0.8
181.13350	1.4
186.12379	52.7
187.10866	0.7
187.12741	1.5
197.09193	0.9
199.14436	1.2
208.14424	1.0
209.12802	0.4
214.11865	35.7
215.10265	0.4
215.12196	1.2
219.14957	0.4
234.35844	0.3
249.18542	0.4
251.13907	0.6
254.15019	2.0
263.10153	0.4
265.15482	13.8
266.15640	0.6
268.16470	0.4
280.22699	1.2
285.19098	0.5
295.17722	1.4
296.16098	1.5
298.23853	3.5
313.18698	11.2
314.19144	0.3
316.24835	11.8
316.28476	0.6
317.25043	0.5
374.20761	0.8
391.26917	0.7
392.27209	0.3
460.28989	0.4
461.14447	0.3
478.30270	5.6
479.30301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01866	0.6
55.05514	15.2
57.03160	0.4
57.03439	8.7
57.07081	2.1
62.06078	0.4
65.03934	1.1
65.60258	0.3
67.05506	32.4
68.05857	0.3
69.07069	19.2
69.43973	0.9
69.44379	0.7
71.04991	0.7
71.08623	0.7
79.05492	8.6
81.07057	31.7
82.07408	0.5
83.04977	0.9
83.08149	0.6
83.08619	8.9
85.06529	1.1
91.05487	5.9
93.06461	0.6
93.07040	8.1
94.07388	0.3
95.04966	0.6
95.08607	23.5
96.08902	0.5
97.06544	2.2
97.10172	4.8
98.06039	0.9
98.98463	0.8
99.08083	0.6
105.07029	3.6
107.08598	4.5
109.06473	0.5
109.10160	8.2
110.10427	0.4
111.08047	0.9
111.11709	0.7
119.08579	3.7
121.10152	3.8
123.11730	3.0
124.01585	1.0
125.09660	0.5
125.33354	0.3
133.10127	2.5
135.11702	2.0
137.09602	0.7
137.13225	0.8
139.11208	0.5
147.11679	1.8
149.13229	0.8
151.14821	0.6
161.13257	1.2
163.14835	0.8
165.16315	0.3
175.14833	0.7
190.79507	0.3
198.05272	0.6
216.06247	0.5
245.22725	0.6
263.23599	1.6
281.12296	0.3
306.27921	3.8
337.27353	100.0
338.27713	6.7
409.11075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05518	10.5
57.03434	4.0
60.71343	1.6
62.06086	31.9
63.90757	1.8
67.05505	32.1
69.07072	14.5
69.44307	12.5
78.86363	1.6
79.05502	8.0
81.07058	26.8
83.08622	6.9
91.05467	5.0
93.07041	10.0
95.08614	22.7
97.10182	3.0
98.98450	9.7
105.07037	2.8
107.08596	5.3
109.10152	9.7
111.06598	2.0
119.08594	3.7
121.10127	4.3
123.11776	3.0
124.01588	2.5
135.11729	2.2
142.06310	2.2
147.11578	2.0
155.01062	5.3
161.81522	2.1
216.06375	3.8
263.23709	6.3
306.27869	20.0
317.03046	1.8
337.27341	100.0
338.27679	6.5
389.42392	1.9
460.28064	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	478.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41399	0.3
53.03914	0.4
55.05468	1.2
56.05034	2.2
57.03431	1.7
57.05764	0.4
58.06607	2.9
60.04497	0.7
60.80141	0.3
61.02901	0.3
67.05508	4.1
69.03419	1.7
69.07078	1.5
69.53030	1.1
70.06591	12.1
71.04951	0.5
72.08148	3.3
73.02866	0.4
74.06045	0.7
81.03410	0.5
81.07052	4.4
82.06535	1.1
83.04919	0.5
83.06045	0.5
83.08580	0.9
84.04469	0.7
84.08142	10.9
85.02922	1.7
85.06507	0.6
86.09707	3.8
87.04446	0.5
87.05569	0.4
88.07613	0.8
88.91319	0.3
91.05429	1.3
93.07042	2.3
94.06557	0.4
95.06003	0.3
95.07323	0.4
95.08607	3.0
96.08082	1.1
96.19534	0.3
97.02824	1.1
97.06507	1.8
98.09649	0.9
102.05486	0.5
103.03877	0.4
105.06995	0.7
107.08585	1.8
108.08054	0.9
109.06490	0.4
109.10162	1.9
110.07174	1.6
110.09676	7.3
111.10485	0.6
112.11242	8.3
112.83101	0.3
114.09139	0.5
116.07079	2.4
120.08111	2.8
121.10095	0.8
122.09628	0.4
124.11121	0.3
127.03888	0.7
127.08586	0.4
128.10715	26.9
129.10184	2.3
129.11023	0.6
130.08665	0.4
131.08485	0.6
133.10172	0.7
135.11649	0.7
136.07559	0.4
147.11588	0.3
154.04977	0.4
159.11626	0.5
163.03917	0.7
173.12871	0.4
223.15463	0.5
236.23708	3.6
238.21654	11.0
239.22046	0.4
251.15042	0.4
251.60460	0.3
254.24736	3.2
256.22717	4.3
262.21732	0.9
263.13913	1.6
279.13196	0.4
280.22668	6.0
294.18124	0.6
298.23755	23.3
299.24011	1.8
316.24811	100.0
317.25134	6.1
340.24918	1.5
358.25940	0.8
370.25781	0.5
400.26984	0.8
418.27814	0.7
442.28003	1.3
460.29083	4.4
471.87100	0.3
478.30127	92.2
479.30582	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	478.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00542	0.3
53.03935	0.6
55.05513	1.4
56.05039	1.9
56.05254	0.3
57.03436	1.9
58.06603	4.0
58.33077	0.3
61.02919	1.4
64.97432	0.3
67.05512	2.9
68.05009	0.5
68.76983	0.3
69.03434	4.3
69.07079	1.1
69.60987	1.5
70.06597	2.9
71.05004	0.7
71.07379	0.6
72.08155	1.5
73.02922	1.6
74.06064	0.5
75.15775	0.3
78.30477	0.3
81.03432	1.4
81.07054	3.0
83.08629	1.0
84.08147	8.9
85.02915	5.7
85.03423	0.4
86.09710	1.2
87.04469	1.6
88.07643	0.7
89.38531	0.3
91.05493	0.7
93.07059	1.6
95.06058	0.4
95.08600	2.3
96.08139	0.5
97.02871	2.2
98.09700	1.1
99.04425	0.5
101.02393	0.5
107.08585	0.8
109.02896	0.7
109.10162	1.2
110.07175	2.2
110.09684	0.7
111.10440	0.4
112.11243	1.6
113.07133	2.2
115.78719	0.3
119.08601	0.3
121.10153	0.5
127.03920	1.3
128.10719	1.2
129.10268	0.7
133.00311	0.3
133.10153	0.5
147.11690	0.4
161.07426	0.5
161.10547	0.3
176.74260	0.3
178.13399	0.5
189.06964	0.4
205.03529	0.4
223.15521	0.8
236.23734	15.7
237.24141	0.6
238.21658	8.1
239.21977	0.5
251.15071	1.0
254.24777	18.9
255.25153	0.7
256.22791	2.2
257.75598	0.4
262.21820	0.6
280.22745	2.5
281.22989	0.4
298.23770	12.8
299.24088	0.8
316.24817	39.3
317.25119	1.6
358.25900	0.8
364.23459	0.9
460.22592	0.6
460.29074	8.0
461.29483	0.6
478.30112	100.0
479.30469	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	478.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05524	4.0
56.05025	3.7
57.03447	4.1
58.06602	28.7
61.20864	1.3
67.05511	10.7
69.03442	6.0
69.07076	3.4
69.43346	6.9
70.06592	9.4
71.04995	2.7
71.07376	4.0
72.08155	5.1
79.05503	9.1
81.07062	14.9
83.08625	2.3
84.08155	22.5
85.02922	12.6
85.06558	2.9
86.09702	1.8
91.05479	5.9
93.07059	10.9
93.07600	1.9
95.08615	8.8
97.02905	5.3
97.06501	1.7
98.09698	3.7
98.23331	1.9
98.46581	1.4
105.07045	3.9
107.08603	7.0
109.10192	4.5
110.07188	1.9
119.08566	2.1
120.08128	2.3
121.10159	3.8
127.03957	2.3
131.08589	2.8
133.10086	2.9
135.11656	1.6
147.11679	5.0
149.09703	1.4
149.13293	1.5
159.11719	1.9
168.42746	1.4
188.13145	1.3
262.21625	3.9
275.56937	1.4
280.22736	41.4
280.71918	1.7
281.23083	1.9
298.23755	50.6
298.27106	3.0
299.24136	3.3
316.24832	100.0
317.25177	5.6
389.24323	1.5
442.27576	1.7
460.29233	3.2
478.30161	43.6
479.21277	2.9
479.30307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50521	0.9
53.03949	4.7
55.01869	1.3
55.05519	4.8
57.03447	0.9
57.07069	0.9
58.06602	0.9
60.04538	1.4
67.05505	4.5
68.99092	1.0
69.03429	12.1
69.07060	4.1
69.47008	4.7
70.06594	4.5
71.04981	2.6
72.08154	3.6
79.05495	13.0
81.03415	9.0
81.07059	15.2
83.01341	0.9
83.04993	9.6
84.08144	3.4
85.02911	8.3
85.06523	1.2
86.09211	1.7
86.09703	21.2
87.05582	1.2
87.10052	1.0
91.05483	10.8
93.07048	8.1
95.04959	3.5
95.08600	3.9
97.02885	5.3
97.06538	2.2
98.23232	1.7
99.04462	12.2
103.03935	5.7
103.05452	2.1
105.07024	11.8
107.04958	8.4
107.08597	34.9
109.02139	1.3
109.02881	23.5
109.03587	1.8
109.06525	4.2
109.10146	7.7
109.82070	0.9
110.07175	2.4
111.04457	1.2
115.05444	2.2
117.07053	3.0
118.07688	1.0
119.08578	5.5
120.04402	0.9
120.08117	15.4
121.06464	4.7
121.10150	13.8
122.07278	9.0
123.08064	1.7
125.92568	0.9
127.03918	37.9
128.10728	1.5
129.07019	1.6
129.10234	2.4
130.06499	1.7
131.08569	4.7
132.08092	3.3
133.10133	100.0
134.06041	0.9
134.10464	2.5
135.08055	12.4
135.11685	1.9
136.07542	1.7
137.09619	60.7
138.09988	1.8
143.08582	1.8
144.08058	4.7
145.04962	17.5
145.10127	1.9
147.08076	1.0
147.11681	3.6
149.09648	4.3
149.13257	10.3
156.08116	4.9
158.10884	2.4
159.09172	1.4
159.11714	1.0
163.05986	1.0
163.07533	1.2
163.14806	2.2
170.06013	1.3
173.13165	9.4
180.03017	0.9
180.10194	1.5
182.99356	1.0
183.09175	3.6
187.06052	2.5
189.12799	1.1
191.14310	91.0
192.14648	4.1
198.01584	1.1
201.00385	1.0
201.12332	4.3
207.11310	1.5
209.08054	1.7
210.09036	1.0
213.03966	9.2
216.02652	2.4
233.15155	1.0
235.06010	3.4
245.18730	1.4
253.07050	5.2
271.08060	5.7
279.17072	2.8
299.16241	1.0
301.15332	2.3
317.11639	1.1
318.13376	1.7
333.09698	5.4
335.18436	1.7
342.18121	3.6
461.21326	2.5
479.32425	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	479.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85383	5.8
56.96569	16.5
57.07059	9.6
69.09404	18.0
69.09820	44.5
81.07079	7.6
83.08614	8.0
85.44080	6.6
86.09706	17.4
91.05467	6.4
93.07028	7.2
95.08590	8.0
98.22565	11.9
98.97547	7.8
107.52848	5.9
116.78622	5.9
123.11654	6.7
128.98656	11.8
146.99576	6.0
164.35550	7.2
317.17880	100.0
335.18866	35.1
338.27682	9.7
358.20404	8.1
479.24222	19.3
479.33209	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	479.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01863	3.1
55.05505	12.9
57.03420	3.2
58.06583	2.9
58.97970	3.0
61.89959	2.8
67.01154	2.7
67.05502	4.3
69.03427	13.0
69.07066	14.8
69.26636	23.0
70.06597	6.0
71.04976	5.8
71.08638	23.1
71.98104	2.7
72.08154	10.0
73.11241	3.2
79.05505	4.2
81.03432	14.1
81.07053	11.2
83.04994	7.7
83.08621	11.5
84.08145	6.8
85.02906	71.0
86.09692	3.6
88.38039	2.6
90.75314	3.6
91.05474	5.7
92.81969	3.7
93.07057	9.5
95.04963	3.1
95.08615	8.1
97.02916	15.1
99.04453	46.9
99.08096	37.1
103.03295	6.5
103.03944	91.3
105.07025	6.9
107.08624	6.4
109.02895	13.3
109.10148	8.3
110.07175	6.0
111.08138	3.0
117.07049	3.6
118.69518	2.8
119.08628	6.6
119.58200	3.0
120.08086	3.7
121.10112	4.4
121.43970	2.8
123.11771	4.1
127.03917	100.0
129.10220	4.7
129.12735	8.0
133.04961	3.5
133.10150	5.1
145.04958	54.0
145.10181	3.5
151.07573	4.3
157.10181	4.4
163.06017	41.6
165.09152	6.8
173.13281	3.4
173.15337	7.0
187.06049	6.0
203.05493	3.7
205.07133	3.3
287.07556	6.0
289.09109	2.9
298.12561	3.1
316.14774	3.0
479.18881	9.7
479.28568	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.05514	6.8
57.03461	4.3
58.06600	3.1
67.05511	8.8
67.22702	3.3
67.28886	3.5
69.03438	13.0
69.07066	10.6
70.06597	13.5
71.04993	6.5
71.08630	28.6
71.29977	4.2
72.08154	6.2
79.05487	7.1
81.03416	15.7
81.07052	19.0
84.08170	6.1
84.68636	3.5
85.02908	68.6
86.09721	6.0
87.58051	3.2
91.05470	4.7
93.07056	5.2
94.43314	3.2
95.04941	3.8
95.08629	10.3
97.02912	13.9
99.04460	42.4
99.08093	41.5
103.03941	81.3
105.07034	7.1
107.08607	4.4
109.02868	18.5
109.10191	8.1
110.07156	6.4
112.08750	5.1
113.32763	3.8
119.08595	8.6
120.08132	6.8
127.03916	100.0
129.12787	5.1
131.08548	5.8
133.10152	5.5
136.07573	4.4
145.04962	52.5
147.11745	4.1
151.07571	8.2
163.06004	44.7
165.09129	12.8
170.13124	3.6
173.15385	12.0
189.01501	5.7
205.12248	5.1
331.17255	33.8
435.19986	3.4
479.18826	96.3
479.25406	8.4
479.40814	5.2
480.19119	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73039	0.6
67.05454	0.6
69.17575	3.7
81.07059	0.7
92.25003	0.5
98.22656	1.3
185.04211	5.8
212.25357	0.6
317.20874	100.0
318.21204	6.7
356.73801	0.6
479.26147	57.5
480.26453	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	479.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57057	3.2
79.05463	0.8
81.07041	1.3
89.23832	1.0
91.05482	0.9
93.07068	1.0
98.98473	1.5
104.99956	0.8
105.07048	0.9
106.29063	0.9
117.14250	0.8
127.11281	0.8
128.29749	1.0
135.11655	0.8
185.04243	4.2
191.17104	0.9
195.10928	1.0
262.97409	0.8
282.28278	0.8
317.20871	100.0
318.21301	6.4
344.29385	1.4
408.95862	0.9
411.29108	0.9
479.26126	63.6
480.26584	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	479.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41042	0.5
52.50668	0.5
58.92802	0.5
69.13091	2.3
69.13519	2.8
72.08143	0.6
81.07010	0.6
88.94704	0.5
96.44878	0.5
98.67479	0.6
102.75703	0.7
105.06956	0.6
156.19611	0.5
184.47115	0.6
185.04201	9.0
248.72774	0.6
299.19861	14.5
300.20361	0.9
317.20871	100.0
318.21201	6.2
354.14331	0.7
479.26160	92.8
480.26495	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	479.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
67.05521	1.0
70.06580	0.7
79.05510	1.1
81.07073	1.2
83.65936	0.6
86.09708	0.7
87.98090	0.6
91.05512	0.6
93.07033	1.0
93.49866	0.6
95.08612	1.5
98.22546	1.2
104.10744	0.8
105.07032	0.7
107.08591	0.7
109.10141	0.8
119.08553	1.3
157.10130	0.6
159.11668	0.6
184.07382	0.9
245.13220	0.6
262.70813	0.7
387.24850	1.4
393.22443	16.9
393.27548	0.9
394.22540	0.7
461.28720	44.0
462.29193	5.4
479.29779	100.0
480.29846	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.4
57.07079	67.0
66.92940	3.4
67.05485	7.5
69.02777	3.9
69.07074	11.3
70.41969	3.1
71.05003	16.9
71.08633	65.5
71.21300	6.0
79.05502	5.5
81.07083	5.0
83.08629	6.0
85.10194	40.8
89.06036	37.3
93.07060	7.9
95.08601	8.1
105.07043	4.5
107.08582	9.9
109.10139	6.1
111.11752	4.9
113.13344	3.8
119.08608	5.2
121.06554	3.8
121.10130	7.7
122.44317	3.8
123.11712	3.8
125.06000	62.6
129.53619	3.3
132.76901	3.8
135.08061	3.7
137.05975	5.3
137.09740	3.9
139.07571	3.8
141.05484	12.8
142.30502	3.3
147.11670	6.6
149.09616	4.7
151.07550	24.3
153.05476	100.0
163.07547	10.6
165.09180	22.7
167.06970	4.4
177.09125	13.5
179.10631	5.6
181.08482	3.9
183.06557	9.9
187.11230	4.5
191.10657	10.3
195.10158	8.8
205.12198	7.1
209.11732	4.5
215.14279	4.3
223.13300	5.1
237.14804	7.8
251.16356	7.5
260.02203	3.9
265.18066	5.7
277.76862	3.3
279.19427	6.4
293.21112	9.3
307.22812	6.1
335.25769	4.1
419.35245	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05510	21.3
57.03431	2.7
57.07078	100.0
61.20645	2.9
65.51870	2.5
67.02517	2.4
67.05505	14.6
69.04935	13.8
69.05345	7.9
69.07069	41.2
71.08633	84.4
79.05482	18.8
81.07055	49.0
83.04994	14.1
83.08621	31.6
85.06558	3.8
85.10183	55.7
87.04490	3.8
91.05488	6.3
93.07042	31.3
95.02062	2.5
95.08604	38.1
97.06524	10.6
97.10164	18.5
98.23353	5.7
99.08111	6.5
99.11723	8.7
101.06022	36.8
103.70941	2.7
105.06992	3.7
107.08591	30.6
109.06503	12.7
109.10196	19.6
111.04414	3.1
111.08073	9.7
111.11744	11.9
113.09622	4.2
113.13287	4.5
113.88638	2.6
115.07581	7.1
119.08582	4.9
121.10160	20.5
123.11726	10.9
125.06004	7.7
125.09625	5.1
125.13275	4.0
127.07560	91.7
127.14845	4.6
129.05486	97.1
129.09154	2.7
135.08029	3.3
135.11679	20.7
135.41377	2.6
137.13266	3.2
138.37318	2.7
139.07542	7.9
139.11134	3.1
139.14847	2.9
141.16420	2.6
143.07050	9.2
149.09698	3.2
149.13263	20.0
151.14856	5.2
153.09062	7.0
153.12779	7.9
155.07056	3.4
157.08615	6.0
159.11569	3.5
163.14789	20.5
167.10634	3.1
167.14363	9.7
177.16428	14.9
181.12325	4.7
181.15891	9.6
185.11818	5.3
191.17970	9.7
195.13792	3.6
195.17538	6.1
199.13379	3.8
209.15382	3.0
209.19084	6.6
213.14929	3.5
219.17458	3.8
219.21198	4.0
223.20653	7.0
227.16345	5.1
233.22638	5.9
251.19969	3.9
257.49774	2.8
269.21164	3.4
271.76251	2.7
289.28851	13.3
302.17297	2.6
307.29956	9.8
317.28516	4.3
335.29202	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.2
57.03439	18.6
57.07082	3.9
59.05006	3.2
67.05508	11.1
69.03434	39.0
69.03783	5.0
69.07075	23.9
69.40451	17.1
73.02912	17.9
81.03407	5.0
81.07061	27.7
83.08631	10.3
85.02908	35.6
87.04477	23.5
90.89489	3.5
95.08609	100.0
95.09167	6.9
97.02903	38.4
99.04536	4.0
100.11253	4.2
109.10162	4.8
115.03929	43.7
125.13250	31.0
127.03913	7.9
133.04950	40.0
145.04994	8.6
150.07628	8.7
151.14825	24.5
169.15880	70.3
170.16222	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01881	1.7
55.05507	2.5
56.05030	3.1
57.03428	3.2
58.06615	3.8
60.04525	1.3
61.02916	1.4
67.05503	5.9
67.47899	0.8
69.03428	5.2
69.07079	4.0
69.34393	2.9
69.34821	2.2
70.06204	1.6
70.06590	33.0
71.04999	7.1
71.06940	1.5
72.08154	65.9
73.02941	1.3
73.08492	1.2
74.06074	2.3
78.05440	0.7
79.05493	5.6
81.03419	2.9
81.07053	12.6
81.63487	0.8
82.06614	1.0
83.04970	1.0
83.06076	1.3
84.04508	7.4
84.08141	19.4
84.08624	1.5
84.36250	0.9
85.02895	8.6
85.08488	1.2
85.08938	1.9
86.09699	12.0
86.85075	0.8
87.04484	1.2
88.04012	1.3
91.05462	6.5
93.07044	5.2
95.04950	2.9
95.08607	11.2
96.08202	1.1
97.02873	4.3
97.06552	1.7
98.06042	1.0
98.09702	2.0
99.04461	3.0
101.02422	1.1
101.07156	3.0
102.05542	3.5
103.05488	1.8
105.07052	2.4
107.05019	0.9
107.08589	1.6
108.08134	0.9
109.02885	1.5
109.06516	0.7
110.07158	5.3
111.08072	1.6
112.07644	1.0
112.08712	0.9
113.06030	1.7
113.07119	1.2
114.09184	1.4
116.07088	2.3
117.07062	2.4
119.08566	1.8
120.08105	28.6
121.06535	0.9
121.10134	2.0
123.04471	1.8
123.08112	2.1
124.11221	1.1
126.05567	1.1
127.03928	1.2
128.10699	1.3
128.46693	0.8
129.06627	2.3
129.10234	11.4
130.10602	1.5
131.08572	2.7
133.06088	1.6
133.10115	2.9
135.11720	1.2
136.07578	8.4
139.08681	0.9
141.06630	1.0
141.10251	0.9
143.11832	1.7
144.10275	1.7
149.09605	1.1
151.07516	1.2
155.08163	0.9
156.07771	2.1
159.11795	1.2
163.03983	0.8
166.08667	1.9
169.06125	1.1
169.09784	1.3
173.09340	1.7
173.13280	2.1
177.10277	1.4
177.12726	1.2
184.84464	0.8
186.12407	1.1
191.11830	2.3
191.14259	1.4
193.09753	1.1
196.17010	1.7
201.12543	1.9
205.09909	1.1
213.12352	4.8
219.11363	1.6
219.13657	1.3
234.10883	1.1
237.14906	2.7
238.21561	8.0
240.19566	16.3
241.19955	1.0
256.22696	6.9
276.13321	1.7
277.12997	2.5
282.20682	3.1
295.12744	0.8
300.21701	28.0
301.21906	1.2
310.17532	1.1
318.22729	46.1
319.15234	1.6
319.23163	3.2
327.16989	0.8
342.22861	1.3
347.16754	0.9
395.21582	1.2
402.25037	1.8
444.25998	3.0
462.27026	25.0
463.27588	2.1
480.28085	100.0
480.77310	0.9
481.21783	1.1
481.28299	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55986	0.4
53.03941	0.8
55.01870	0.8
55.05511	0.4
56.05032	1.3
57.03440	2.3
58.06613	0.5
60.04527	0.7
61.02940	0.8
67.05521	2.6
69.03421	2.9
69.07077	2.4
70.06593	13.1
71.04999	1.7
71.06979	0.4
71.07383	0.5
71.28962	0.5
72.08154	100.0
73.06525	0.4
73.08488	1.9
74.06065	0.6
79.02573	0.3
79.05489	2.2
81.03425	1.2
81.07053	1.7
83.04973	0.4
83.06114	0.4
84.04510	1.2
84.08146	6.8
85.02905	4.6
86.09708	7.6
87.04465	0.6
91.05477	6.1
93.07024	2.4
95.04972	1.0
95.07305	0.5
95.08617	2.4
96.08126	0.6
96.12527	0.3
97.02896	2.6
97.06543	2.4
98.06023	0.4
99.04473	0.9
100.07650	0.4
101.07168	0.4
102.05566	0.6
102.09160	0.9
103.63536	0.3
105.07027	2.1
107.04958	0.5
107.08560	2.1
109.02868	1.0
109.06539	0.4
110.07145	2.6
111.04435	0.4
111.08121	0.6
113.07146	0.5
116.07124	1.1
117.07001	1.0
119.08584	1.2
120.08106	4.8
121.06507	1.7
121.10152	0.8
124.11217	2.6
125.05968	0.6
127.03976	1.0
129.10242	6.0
131.08563	1.0
131.50771	0.4
133.10114	5.7
135.11682	0.6
136.07574	3.8
139.07576	0.6
141.10249	0.9
143.07027	1.4
144.10240	0.4
145.04979	0.5
147.11581	0.4
151.11221	1.3
156.07765	0.9
156.10231	2.2
159.07828	0.5
159.09160	1.0
166.08629	0.5
169.06093	0.4
169.09773	0.8
173.13223	0.7
175.58054	0.4
178.52957	0.4
179.10649	0.4
192.07806	0.6
201.12735	0.5
213.12286	4.4
262.45276	0.4
262.56711	0.4
277.12851	0.6
282.20547	4.0
283.10800	0.4
289.10864	0.4
292.16431	0.5
300.21677	18.4
301.22012	1.1
310.41312	0.5
318.22733	58.5
319.23047	2.6
322.41785	0.5
334.12518	0.4
415.08105	0.5
444.25937	0.6
462.27026	8.3
463.26706	0.6
480.28046	61.7
481.23679	0.4
481.28613	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	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05510	12.9
57.03427	2.7
57.07080	5.7
61.02207	1.8
62.06088	30.2
67.05506	12.1
69.07070	23.1
71.08632	2.2
71.31621	2.1
77.94218	1.7
79.05492	3.8
81.07053	15.0
83.08288	1.3
83.08631	13.0
88.03983	7.2
91.05478	2.2
93.07037	7.4
95.08603	15.2
97.10173	6.5
98.98479	11.3
100.65303	1.6
105.07024	2.1
107.08582	4.2
108.16129	1.5
109.10165	6.6
111.08084	3.0
111.11732	2.6
121.10140	5.4
124.01585	1.9
124.93805	2.0
133.10130	2.1
135.11714	3.4
149.05914	2.0
153.48134	1.6
155.01079	9.3
185.13210	2.0
190.19682	1.6
207.14252	1.7
216.06310	2.9
240.24139	1.8
251.10738	1.8
256.26389	2.9
258.45984	1.5
265.25360	3.4
308.29498	23.1
339.28925	100.0
340.29407	6.9
409.12827	3.0
419.25003	1.7
424.11157	1.9
437.12125	4.3
463.31796	1.7
466.12888	2.3
480.14120	2.6
481.14951	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05515	15.6
57.03444	8.1
57.07081	8.1
64.50757	0.7
65.03912	0.9
67.05508	11.1
69.07072	21.0
69.96712	2.6
71.04984	0.8
71.07377	2.1
71.08625	4.6
71.20298	0.9
79.05502	7.3
79.28229	0.7
81.07055	11.7
83.04985	0.7
83.08624	16.0
83.97753	0.8
85.10177	0.9
86.09699	7.6
87.10033	2.5
88.04009	0.7
91.05461	1.4
93.07049	7.8
95.08616	11.5
97.06541	2.7
97.10162	7.7
98.98448	1.3
105.07007	0.8
107.08595	4.5
109.10166	5.8
111.08069	1.4
111.11695	1.8
121.10159	7.6
123.11707	1.9
124.01617	0.9
124.99973	1.9
125.09673	1.1
133.76389	0.8
135.11697	3.4
149.13297	2.3
163.01500	1.6
163.14777	1.1
247.24266	1.3
265.25360	1.4
308.29510	4.8
339.28943	100.0
340.29269	5.8
414.80096	0.9
480.27771	1.5
480.33603	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	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
55.55491	0.6
56.05037	1.3
57.03458	0.6
57.07082	0.8
58.06596	1.7
60.08169	17.0
63.55006	0.6
67.05504	2.4
69.07087	1.4
69.12522	4.7
70.06595	1.5
71.07379	6.8
71.08650	0.8
77.11213	0.5
79.05495	1.5
80.50810	0.6
81.07067	3.3
83.08626	1.4
86.09711	50.3
93.06990	1.3
95.08624	1.3
97.06577	1.1
98.98479	4.5
104.10751	100.0
105.11107	1.0
107.08644	1.1
119.08644	0.7
119.30059	0.6
121.10191	0.6
125.00013	27.1
129.05452	0.8
135.11742	0.8
143.84554	0.7
146.11792	0.8
163.03911	7.6
163.05075	0.7
184.07356	93.6
185.07719	1.8
190.19400	0.7
205.19496	0.9
207.06520	9.9
258.11084	1.8
267.93280	0.8
297.24326	1.4
300.28979	2.8
303.21384	0.6
373.64703	0.7
398.42422	0.6
402.26779	0.6
462.29706	7.4
480.30939	20.5
481.31174	1.9
488.12222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
56.41176	0.5
56.69398	0.4
69.61591	2.2
72.08157	0.7
77.44995	0.5
79.05502	1.1
84.08144	0.8
95.04954	0.9
98.22691	0.5
107.04959	74.4
108.05283	2.2
124.01064	0.5
127.03663	0.9
129.03151	0.8
130.16112	0.5
173.04231	0.8
185.04240	2.9
195.06348	0.5
213.07343	33.2
214.07777	1.2
215.05104	0.6
313.11023	0.5
317.08478	2.3
349.12552	0.7
375.12592	4.8
383.51770	0.7
407.60367	0.5
481.16821	100.0
482.17105	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	481.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75063	0.4
55.71195	0.4
56.05037	4.0
57.05813	0.7
59.06115	0.4
59.22891	0.5
60.04520	1.0
60.05639	1.6
68.21898	0.4
69.03401	1.3
70.06597	6.0
70.22836	0.4
71.28973	0.6
72.08161	3.8
83.06118	2.1
84.04498	1.8
84.08144	3.1
85.02894	1.1
85.04025	0.7
86.09714	2.7
87.05573	1.1
91.05487	1.1
95.06072	1.5
97.02901	0.9
98.06031	0.6
99.03300	0.5
99.05576	0.6
102.05560	0.7
105.58820	0.4
106.06563	0.7
110.07165	3.5
111.05569	5.0
112.07637	0.6
112.08717	1.2
113.07158	2.1
113.07804	0.4
115.05043	0.9
115.08662	0.5
116.07040	0.6
118.06503	0.4
119.04931	1.5
120.04496	2.2
120.08095	5.5
121.08440	0.5
123.05541	0.5
126.06627	2.0
127.03956	0.5
127.05008	1.0
127.07414	1.0
129.10237	2.0
132.04456	9.2
132.08113	1.1
134.06029	2.7
136.07582	8.7
136.08565	0.3
137.04605	0.8
138.05492	0.5
138.69215	0.4
140.08173	1.6
143.11818	0.8
145.06090	0.7
148.03923	0.6
148.06035	0.5
150.05495	3.3
151.06165	4.2
156.07707	0.9
165.06563	1.2
166.08588	0.7
168.08810	0.6
176.07095	1.1
187.08673	4.1
189.06508	0.7
193.09767	0.5
202.09804	2.8
202.52336	0.5
203.08186	1.8
205.09789	0.5
215.13791	0.5
216.11371	0.7
230.09235	2.3
231.07651	17.1
231.09454	0.6
232.10786	1.2
233.09116	1.2
233.14000	5.1
234.12297	0.8
242.09265	1.9
246.08879	0.8
253.12923	0.4
257.10410	3.0
259.11929	20.6
260.10062	0.7
260.12451	0.9
277.12961	75.5
278.13312	3.7
282.14304	0.4
284.11407	4.0
301.14044	1.9
302.12466	41.2
303.12790	2.6
311.12326	0.9
319.15128	100.0
320.15399	4.3
323.56860	0.4
364.16110	1.0
481.20343	36.6
482.21719	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57759	0.3
53.03936	0.3
53.70189	0.3
54.02915	0.3
55.09373	0.3
59.20914	0.3
60.04525	6.4
62.71383	0.3
67.09127	0.3
70.02954	0.4
70.06590	0.4
71.15313	0.5
72.04501	0.3
84.04480	0.3
86.09708	22.2
87.05594	4.9
87.10026	0.5
88.03986	0.5
91.05460	0.3
93.07052	1.3
98.54955	0.3
98.98081	0.3
100.11271	0.3
103.05468	4.2
109.72607	0.3
110.96535	0.3
112.11279	0.5
112.73316	0.3
112.93375	0.2
120.08109	100.0
121.08450	2.8
122.98885	0.3
128.10732	3.4
134.04489	0.7
147.52739	0.3
173.12865	25.1
174.13226	0.7
181.85954	0.3
201.10460	0.6
201.12344	11.7
202.12660	0.3
202.77988	0.3
212.96288	0.3
227.15898	0.3
233.16542	0.5
261.16046	0.6
275.17606	0.3
281.11337	25.5
282.11673	1.2
303.17010	1.4
304.17523	0.4
348.19177	1.3
394.19772	0.3
481.27832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05022	0.4
65.99300	0.2
67.08538	0.2
68.05417	0.2
69.07052	0.3
70.06593	3.5
70.88628	0.4
70.88975	0.2
72.08154	1.8
74.06067	0.6
84.04507	0.6
84.08150	1.3
86.09715	1.7
88.03992	0.3
95.06116	0.2
101.07100	0.2
102.05534	0.2
109.02827	0.2
110.07167	1.8
116.07048	0.2
120.08117	1.4
129.10220	0.8
136.07553	0.7
160.07675	0.2
167.37634	0.2
175.11261	0.2
183.49925	0.2
185.05623	0.2
203.03563	0.2
223.15504	0.2
226.46849	0.2
251.15076	0.2
301.11734	0.2
328.72577	0.2
333.15375	0.2
335.16895	0.2
349.07333	0.2
368.17883	0.3
375.08664	0.2
421.13470	0.2
481.26178	100.0
482.26553	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	481.263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71975	0.3
55.05492	0.4
56.05016	0.7
56.09372	0.3
58.06602	0.4
61.10113	0.3
64.46936	0.3
67.05504	0.7
69.03431	0.6
69.07070	0.5
70.06596	4.0
71.29972	0.5
72.08150	2.8
79.05520	0.6
81.07047	0.7
84.08141	1.3
85.02910	0.8
85.35151	0.3
86.09711	3.1
89.23598	0.3
91.05487	0.6
93.07062	0.7
95.08578	0.8
99.04443	0.4
103.44235	0.4
105.07037	0.6
107.08590	0.7
108.08157	0.4
109.02863	0.4
109.10203	0.7
110.07190	1.7
110.09673	0.7
112.03745	0.7
112.07683	0.4
114.22720	0.3
116.59103	0.3
119.04913	0.3
119.08639	0.7
120.08098	3.2
122.09664	0.6
123.04437	0.3
125.09624	0.3
127.03931	0.8
127.09940	1.7
129.10257	0.4
133.10138	0.6
136.07608	0.3
140.03172	1.8
140.10703	1.7
145.10075	0.4
154.08409	0.8
157.10144	0.3
163.11218	0.4
166.04810	2.2
168.06882	0.4
184.05818	8.2
189.69063	0.4
207.11041	2.3
209.09123	0.5
211.06990	0.5
225.12100	1.6
233.12601	1.5
235.10606	0.7
251.13670	6.4
253.11604	6.6
255.09435	2.0
263.14053	0.8
278.14777	0.6
279.13129	3.4
289.05164	0.4
297.14221	18.3
298.14658	0.6
306.14288	1.0
322.17606	1.8
324.15283	6.6
324.18564	0.5
335.13434	0.4
350.16928	4.7
367.19397	0.6
368.17917	29.9
369.18307	1.3
394.24319	0.8
402.24765	0.6
420.25525	0.6
437.23541	2.0
463.25159	1.5
464.24722	0.6
481.26385	100.0
482.26651	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	481.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.9
56.41244	1.5
57.03439	2.2
60.08171	6.0
67.05516	10.8
69.07070	3.7
70.06608	2.4
71.07375	3.2
71.30084	2.5
76.69438	1.5
77.30788	1.6
79.05512	6.2
81.07043	8.2
83.08672	3.0
84.08165	1.8
86.09705	18.1
87.10050	5.1
91.05484	4.2
93.07058	6.4
95.08618	9.7
95.09138	1.9
98.98487	1.5
104.10744	32.3
105.11065	8.8
107.08598	2.8
107.74879	1.7
114.77219	1.6
121.10187	2.1
124.99989	11.2
146.98180	31.7
163.03964	4.6
184.07355	31.0
185.04268	4.7
185.07730	8.0
185.41608	1.7
187.23256	1.9
207.06511	4.8
208.06815	3.0
220.76845	1.7
261.04721	1.7
264.97531	1.9
319.22400	100.0
320.22815	4.2
335.25772	11.4
357.24017	2.8
406.26678	1.7
463.30185	3.6
481.27734	67.6
481.32889	6.2
482.28189	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	481.277
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
55.16119	1.6
55.53185	1.3
67.96733	1.4
71.30659	2.0
86.84706	1.4
123.89371	1.4
127.86409	1.3
145.51837	1.4
149.85829	1.5
165.09026	1.7
185.04256	11.5
301.21371	24.7
309.53079	1.7
319.22437	96.9
320.22873	4.4
457.49228	1.5
481.27710	100.0
482.28159	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	481.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
60.08158	1.3
67.05512	3.8
69.07048	1.7
70.06583	1.1
72.38815	0.9
73.64140	0.8
78.17593	0.8
79.05463	1.9
81.07040	3.6
83.08613	1.0
86.09677	3.6
87.10017	1.4
91.05495	1.3
93.07019	2.6
95.08588	2.9
96.01230	0.8
98.22610	1.3
104.10735	5.3
105.11053	2.5
107.08556	1.0
121.10088	1.1
122.20744	0.8
124.99945	1.8
146.98175	9.0
149.52589	0.8
163.03882	0.9
184.07364	4.7
185.07539	0.9
247.92091	0.8
271.57053	0.8
319.22385	2.3
335.25690	1.8
357.23999	1.0
445.29279	5.5
463.30295	100.0
464.30750	8.3
481.23004	27.5
481.32104	6.5
482.23352	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	482.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93180	0.9
55.05510	1.9
58.06570	1.0
59.64450	1.0
61.02908	1.0
67.05507	2.3
69.03452	2.6
69.07095	1.1
69.43311	5.0
70.06596	7.1
72.08154	2.3
78.84106	0.9
79.05524	2.0
80.40742	0.9
81.07067	2.5
84.08151	2.9
85.02914	6.3
86.09713	4.4
91.05489	3.6
93.07042	1.8
93.25440	1.1
93.57664	1.0
95.04941	1.2
95.08609	1.7
97.02855	1.6
97.06528	1.1
98.23324	1.8
99.04462	1.0
103.03950	1.0
105.07008	1.4
107.04958	17.9
109.06556	1.1
109.15482	0.9
110.07187	3.3
111.04467	1.1
112.07606	2.1
117.07023	2.8
119.08546	4.9
120.08081	5.0
120.99268	1.0
121.02962	0.9
121.06520	2.8
123.08105	1.1
129.07008	1.5
129.10220	1.2
145.04993	1.6
145.06491	3.4
147.04460	1.4
147.11703	1.2
153.06967	5.3
163.07538	8.4
165.07004	2.5
165.09079	1.6
166.05006	2.1
170.07281	1.3
171.08035	14.0
178.07799	4.0
179.08577	1.8
181.06534	3.3
182.07280	13.9
183.08052	17.9
185.09795	1.2
191.07040	4.5
193.10170	2.9
194.12717	1.5
195.08044	2.9
196.08789	6.9
196.70775	1.1
197.09625	5.6
199.11192	19.7
203.08492	1.1
209.16531	1.3
210.06818	1.3
211.11174	100.0
212.11551	4.7
221.09619	2.2
223.11206	4.3
224.05797	1.1
225.09108	2.2
230.44733	1.2
239.08244	1.7
239.10663	35.9
240.11098	1.9
243.10103	6.2
257.11737	17.3
259.13257	5.8
267.15735	1.4
285.11206	34.1
285.16846	2.5
286.11603	1.7
303.12299	5.2
395.22476	1.1
464.23108	2.4
482.17010	1.6
482.22931	1.7
482.31226	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	482.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	9.2
57.03439	1.3
58.06595	1.6
60.04523	9.0
66.11064	0.8
68.05008	1.8
69.04554	1.0
70.02934	1.2
70.06596	10.2
70.54758	2.6
72.04519	1.8
72.08154	7.3
72.51516	0.7
73.08493	1.0
74.06077	66.9
81.82481	0.8
82.06596	1.5
83.06059	1.1
84.04498	12.4
84.08138	2.9
86.06078	3.4
86.09717	4.4
87.05602	3.6
93.07051	0.9
98.02409	1.4
98.06061	10.4
98.42641	0.9
99.05567	4.9
101.07155	6.4
101.07722	1.0
103.05458	2.2
110.07174	11.4
113.07128	2.9
116.07096	21.4
117.06624	2.0
120.08105	100.0
121.08466	3.2
124.08776	1.0
125.07124	4.7
127.05040	26.1
129.06622	6.8
129.10239	1.5
131.08153	14.9
139.05087	1.2
141.06592	2.1
143.08148	12.5
144.06544	1.1
145.06177	1.6
149.06061	1.4
152.08182	1.1
153.06587	2.9
156.07738	1.0
159.07654	9.6
161.09224	21.1
161.10489	1.4
166.08635	74.4
166.67296	0.7
167.08952	1.6
170.09242	4.8
171.07649	68.0
172.07922	1.4
173.12888	1.4
177.10251	12.6
180.07661	0.9
181.06139	1.9
189.08701	16.0
197.09204	3.2
198.08772	4.8
214.11946	1.0
216.09853	3.3
223.10771	31.1
224.10600	2.0
227.86516	0.9
228.09792	1.0
242.11340	36.2
243.11618	1.3
249.12303	1.8
254.11371	2.1
260.12442	5.9
271.14066	1.6
272.12619	1.0
273.11884	1.5
276.13568	1.5
294.14471	18.9
295.14774	1.4
299.13531	4.8
304.12897	1.7
311.36926	0.9
317.14572	8.1
320.23602	1.4
381.17712	2.8
420.18762	1.9
436.22256	1.3
446.20328	1.7
464.21628	1.7
482.22418	3.0
482.28839	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.05033	1.2
57.03429	0.3
57.07075	3.5
58.06574	1.6
59.07395	0.4
59.37412	0.3
60.08166	16.6
67.05508	0.7
69.07079	0.6
69.08360	2.0
70.06586	0.4
71.07375	5.9
71.08630	2.0
81.07055	1.0
83.08614	0.3
85.10180	1.1
86.09708	48.8
87.10044	0.8
89.05993	0.4
95.08612	1.5
97.10156	0.3
98.98466	3.7
104.10746	100.0
105.11057	1.5
105.73454	0.3
109.10138	0.8
123.11668	0.3
125.00006	25.8
143.01053	0.4
146.98193	0.3
163.01579	1.0
184.07346	90.8
185.07730	1.3
258.11023	1.2
299.25861	2.3
389.32111	0.3
405.23517	0.4
464.31427	7.3
465.31763	0.7
482.32425	23.1
483.32700	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	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85165	1.1
55.05509	3.5
55.83253	1.3
57.07077	62.3
62.06069	1.9
65.25182	1.1
69.07077	7.5
69.46671	1.1
71.08636	53.3
73.06571	4.5
75.31792	1.1
83.08624	5.0
83.47662	1.2
85.10179	32.1
87.04469	2.2
89.06030	100.0
90.06393	2.1
95.08583	1.6
97.10157	3.4
99.11736	5.4
111.11717	3.5
113.13282	5.2
117.09130	3.6
127.14790	4.3
133.08603	57.1
150.03534	1.2
151.09560	1.8
158.41666	1.3
162.81331	1.1
177.11198	23.1
183.20996	2.7
195.12283	3.2
196.81525	1.3
221.13715	3.0
239.14900	2.5
271.26266	2.9
280.20425	1.4
283.17499	22.3
315.28882	1.9
341.30463	4.3
465.37781	19.6
466.38303	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	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23537	0.9
55.05508	3.0
57.07075	57.6
69.07063	7.7
69.38093	2.5
69.38495	6.0
71.08630	53.8
71.67402	0.8
73.06546	3.7
83.08618	2.4
85.10181	36.5
87.04472	3.1
89.06029	100.0
93.64633	1.1
97.10170	2.2
98.22637	1.6
99.11745	6.7
107.07071	2.1
111.11696	3.7
113.13272	7.1
117.09110	2.6
125.13258	1.3
127.14849	3.1
130.08548	1.1
133.08606	57.6
134.08925	1.2
158.60429	1.0
177.11212	21.2
177.12634	1.8
183.21091	1.4
195.12297	3.8
221.13849	3.3
239.14873	4.0
271.26315	5.1
283.17477	27.1
284.17923	1.9
315.28888	2.3
326.67276	1.1
330.53519	1.1
377.32397	1.3
421.35437	1.6
443.82242	1.1
448.96484	1.0
465.37939	18.7
466.38147	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	483.1265
Annotation	Hicksoane A
Peak:m/z	Relative Intensity
53.35569	2.8
55.05513	3.2
66.50634	2.6
68.11494	2.7
70.06592	10.0
71.06050	5.9
72.67307	3.0
84.08151	3.9
86.09695	3.4
86.54132	3.6
90.62059	3.7
98.97591	7.8
116.98626	3.0
140.31522	3.4
141.89076	3.0
158.99684	4.5
176.51160	3.4
181.96951	2.8
182.15405	3.4
219.01938	4.5
347.37073	3.4
465.30234	4.1
472.73462	3.5
483.12643	100.0
484.12927	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	483.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50536	0.6
54.13052	0.6
55.05509	1.9
56.05030	1.3
58.34771	0.7
60.04539	1.1
67.05504	0.9
67.64688	0.7
68.97324	0.9
68.99326	1.7
68.99709	5.9
69.03424	1.0
70.06584	12.9
71.06934	0.7
72.08154	15.5
74.02447	0.6
74.06071	1.1
83.06078	1.2
84.04510	2.2
84.08141	5.1
85.02916	2.2
86.09705	10.5
88.03994	1.0
91.05513	1.3
93.04498	1.0
97.02893	0.7
98.22684	1.3
102.05548	1.3
106.24072	0.6
110.07168	12.7
112.08694	0.9
112.92757	0.8
116.07076	1.8
119.04959	0.9
120.08124	5.1
121.08434	0.9
122.07166	0.7
127.08706	0.8
128.58571	0.7
129.10248	2.3
134.08125	2.0
136.07574	7.2
143.11853	0.8
145.02907	1.0
146.06001	8.3
148.05998	1.3
177.05434	1.5
182.08310	1.6
183.09096	1.3
195.09155	3.5
196.09973	12.8
197.10753	0.9
199.08636	0.9
209.07141	1.3
210.07800	1.1
210.11597	0.8
211.08665	2.8
211.12341	4.4
211.76466	0.8
212.10796	13.8
213.10313	0.9
215.13794	0.8
223.08667	1.1
224.09435	9.2
226.11179	0.9
233.09283	1.6
233.14938	1.3
239.11797	27.7
240.12280	1.0
241.13335	2.7
254.10587	2.1
257.12936	0.8
267.11288	94.9
268.11682	3.9
269.16132	1.6
272.11563	1.2
285.12329	100.0
286.12720	3.4
303.13397	20.3
321.10962	1.1
368.17413	0.8
483.24216	3.0
483.30930	1.0
483.79694	1.2
484.32132	0.9
490.07611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	30.1
57.03424	9.9
57.07068	14.4
64.75599	6.3
69.07060	21.2
69.10482	55.3
71.08648	7.8
72.08154	6.5
75.78118	6.0
81.07111	9.0
83.08625	21.5
93.07055	6.3
95.08585	8.6
97.10168	13.7
98.98449	16.4
104.59028	6.7
105.10232	6.0
130.83626	6.2
155.01042	7.8
268.69037	5.5
311.25778	100.0
312.26242	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	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01851	0.6
55.05508	1.3
57.03437	6.9
59.04998	2.5
66.48320	0.5
67.05514	0.6
69.03430	21.6
69.07072	4.3
70.06586	2.3
71.08632	48.0
72.08147	1.7
72.08968	1.0
75.04460	0.6
81.03438	0.7
81.07059	0.9
84.08139	0.8
85.02905	15.0
86.09702	1.3
87.04466	14.2
94.06590	0.6
97.02894	18.6
98.23435	1.2
99.08091	100.0
100.08412	1.8
102.13814	0.5
102.67088	0.5
105.07053	0.7
109.02837	0.7
115.03930	19.2
116.82866	0.6
120.08078	1.2
122.06019	1.2
127.03910	1.8
129.12750	8.3
133.04962	18.9
145.04964	2.0
150.07579	0.9
155.14320	2.2
169.91660	0.5
173.15375	65.9
174.15733	2.2
201.10208	0.7
213.10324	0.5
234.28531	0.5
241.09636	0.7
243.11246	1.1
259.10709	0.7
261.12500	0.8
271.10657	0.8
277.09210	1.2
295.10373	0.9
301.11853	2.3
303.13516	1.4
313.11676	0.7
319.13013	0.8
329.11310	3.5
331.12830	1.7
361.14005	2.1
363.15662	1.2
420.61615	0.6
442.19275	0.7
452.18039	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	485.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01638	1.3
60.05645	3.1
70.06600	1.7
72.08167	8.4
84.08112	1.6
86.09704	1.5
89.47913	1.2
91.05486	1.9
97.51492	1.1
98.06027	2.6
98.23455	2.0
114.10290	9.1
115.08725	2.7
119.04931	1.1
122.03638	2.7
131.12938	7.2
133.06444	1.1
137.05971	37.2
151.03941	2.6
157.10840	9.9
161.05974	3.3
162.06807	1.7
173.05980	1.4
186.03307	1.2
191.08723	1.4
201.05489	24.5
204.76311	1.1
205.06477	1.9
206.07326	3.6
213.05489	3.6
214.06284	1.3
217.06444	2.0
233.05984	2.0
234.06758	9.6
235.07607	2.5
245.05991	3.6
247.07564	1.8
249.09105	3.6
250.06337	1.6
251.06975	1.3
259.07413	1.4
262.06296	11.3
263.06870	2.5
265.08752	3.6
273.05472	3.4
276.07770	2.4
277.08597	14.4
279.06531	2.3
287.06976	2.9
290.05740	17.3
291.06195	2.4
293.08133	4.5
294.08987	1.7
295.09680	2.5
305.08081	32.5
306.08676	2.2
307.09607	3.4
309.11139	2.1
319.09714	4.1
322.08258	3.0
325.10681	5.5
337.10657	24.0
338.11517	1.3
355.11719	5.5
467.22787	2.1
468.21564	1.6
485.12811	2.6
485.23953	100.0
486.24426	7.1
490.15457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62988	1.5
53.03945	6.1
55.05514	6.7
57.03444	1.8
57.07069	4.4
57.10634	1.2
57.31966	1.4
58.06588	1.6
59.04096	1.4
61.02932	2.3
67.05496	2.5
69.03432	13.2
69.07083	3.4
70.06593	18.2
71.04984	4.9
72.08157	31.3
73.02921	4.2
80.85844	1.4
81.03420	15.3
81.07037	2.7
84.04507	4.7
84.08128	6.7
85.02907	71.1
85.32087	1.3
86.09707	60.7
87.04479	2.4
89.06030	15.9
91.05477	1.8
97.02895	29.2
99.03831	3.1
99.04458	38.6
101.09657	8.2
103.03943	83.2
104.04337	1.8
107.07071	15.3
109.02881	22.2
110.07151	2.4
110.44765	1.3
112.08704	1.3
114.28606	1.5
120.08092	1.9
127.03915	100.0
128.04295	1.7
129.10254	5.3
135.04404	2.5
143.11765	7.5
145.04955	63.0
146.05312	2.1
157.13419	3.6
159.09277	1.6
163.03961	9.7
163.06015	53.0
163.13290	45.1
164.13762	1.4
165.53801	1.3
171.11325	2.7
183.17001	1.5
185.09175	3.9
185.12885	3.8
187.06010	6.3
199.18040	2.5
203.14070	2.5
205.07114	5.1
242.14996	6.1
243.13467	2.3
245.18597	2.9
256.16611	4.4
270.83740	1.4
271.08188	6.3
284.16046	8.1
284.19318	1.4
288.95126	1.4
289.09222	4.5
307.10272	9.5
327.24072	2.0
328.11411	1.5
425.20877	1.5
459.30057	1.7
486.18732	2.3
486.30225	4.8
487.21600	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	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01866	0.8
55.86835	0.2
57.03423	0.8
61.02932	1.2
69.03431	7.5
69.69474	0.7
69.69873	0.4
70.06593	3.6
71.01361	0.2
71.04996	0.4
72.08159	1.6
73.02920	0.5
79.05475	0.8
81.03423	1.6
83.06094	0.2
84.04509	0.8
84.08141	2.7
85.02906	8.5
86.09706	2.5
87.04459	0.3
89.03918	4.4
91.03949	0.6
92.53962	0.2
97.02900	3.9
99.04449	1.0
101.07124	0.3
107.04961	1.5
107.47125	0.2
108.89140	0.2
109.02882	0.9
110.07153	0.3
112.08739	0.3
115.08662	0.2
117.03386	5.7
117.04221	0.3
123.04419	0.8
127.03904	4.3
127.04783	0.3
129.10248	2.4
130.04985	0.4
135.04420	12.0
136.04794	0.2
145.02850	9.7
145.04916	1.6
146.03185	0.3
147.07637	0.8
147.11186	0.3
163.03903	100.0
164.04248	2.6
173.37425	0.2
177.06877	0.3
181.04956	1.6
181.06392	0.3
185.06056	0.3
185.16524	0.3
187.03940	0.3
195.08072	0.2
201.05533	0.3
202.29402	0.2
203.03447	0.2
205.06551	1.1
215.13843	0.3
223.07552	1.3
233.05983	1.3
234.06259	0.2
242.15039	0.3
247.06105	0.3
251.07031	2.5
260.16052	0.3
260.19836	0.3
261.05420	0.6
263.06961	0.3
269.08051	1.8
279.06552	4.4
279.11154	0.2
280.06918	0.3
289.04837	0.2
297.07529	4.0
307.05710	0.8
307.08249	1.1
325.06152	0.3
325.09680	5.1
365.83560	0.2
487.14508	2.1
487.31870	1.2
488.28714	0.2
501.75491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	5.2
61.11502	2.4
69.03417	14.5
69.07068	4.5
69.60976	9.4
69.61398	5.6
70.06591	41.3
71.04992	5.1
71.06922	4.4
72.08147	24.2
73.64977	2.4
74.06080	2.4
75.87073	2.1
81.03403	12.1
84.04500	12.0
84.07638	3.4
84.08141	57.2
86.09702	100.0
87.05607	2.4
87.10014	3.1
99.04451	4.6
102.05571	5.0
107.32462	2.5
110.07170	6.4
112.47296	2.3
120.08117	4.2
127.03925	3.2
129.10226	32.6
130.05026	12.4
141.10234	8.1
143.11760	7.2
145.07584	3.9
146.32578	2.9
147.07622	18.4
147.09174	4.4
155.11775	7.2
163.03821	12.2
171.11296	6.0
173.07111	4.9
183.11241	5.0
191.08145	72.8
195.79483	3.0
197.12828	2.6
197.16518	2.9
200.13866	16.2
201.12386	5.3
228.13383	14.4
229.11772	3.9
242.15028	8.0
242.18529	3.3
245.11351	6.9
246.14268	2.7
260.16089	14.8
273.37790	2.8
307.12756	23.2
325.13928	61.3
341.21869	5.2
409.02319	2.7
433.26810	2.8
436.50189	2.8
488.30884	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	487.194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	3.4
61.73674	3.5
67.05499	3.5
69.03421	4.0
69.07064	7.2
69.46115	18.1
69.46519	7.3
70.06596	19.2
72.08139	10.8
79.05503	4.9
81.07056	10.5
84.08143	19.1
85.02895	4.7
86.09702	66.0
90.46330	3.5
91.05459	6.3
93.07045	7.6
93.75819	3.4
95.08624	6.3
98.97566	8.8
100.11293	4.1
105.07065	8.4
107.08585	4.6
109.10153	5.2
110.07125	4.0
116.98633	4.0
119.08565	5.7
123.11751	4.3
127.03905	4.8
128.98790	3.7
129.10265	10.4
131.08577	5.0
133.10114	5.5
135.87473	3.6
137.09610	4.9
159.11642	4.6
163.03941	19.9
175.11143	5.3
201.12366	15.0
229.11859	13.8
259.20218	5.1
278.56525	3.7
288.56931	3.4
325.19983	6.1
487.19098	100.0
487.30554	5.6
488.19968	14.8
499.54736	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	487.2151
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
65.62788	0.3
69.93827	0.8
70.06596	0.8
72.08136	0.4
81.76644	0.3
84.08157	0.7
86.09717	0.7
91.10248	0.4
93.31787	0.4
283.10236	0.5
307.10379	0.5
335.09576	1.0
355.17169	2.5
487.21503	100.0
488.21823	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
69.86454	2.2
70.06597	1.9
72.08162	1.1
84.08143	1.3
86.09718	2.0
86.86074	0.5
100.11258	0.8
111.04425	0.5
114.09145	2.8
115.09499	1.3
117.99124	0.5
129.10275	1.1
136.95596	0.5
144.60329	0.5
189.11725	0.5
210.14917	1.1
211.15268	0.8
301.21347	0.5
303.54767	0.5
335.09381	2.2
355.17245	4.4
376.80087	0.5
487.21503	100.0
488.21701	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
57.42357	0.6
58.81244	0.6
61.91626	0.6
69.13956	4.9
70.06602	1.2
88.96458	0.7
98.22620	1.4
120.10095	0.6
171.28636	0.6
203.05359	1.0
259.08075	0.8
325.16174	1.9
327.12509	0.7
443.22391	4.9
487.21515	100.0
488.21729	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	487.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80525	1.8
59.01961	1.7
70.06577	2.1
70.46880	3.2
70.47212	4.2
70.57201	1.7
86.09684	2.0
86.32290	1.6
89.46265	1.7
154.24348	1.8
203.05103	1.8
209.10126	1.6
257.65811	1.9
262.03476	1.9
262.52182	1.9
282.81216	2.3
314.80319	2.0
389.47711	2.0
487.21515	100.0
488.22104	8.6
493.88242	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	487.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37443	0.3
55.05493	0.5
56.05034	1.0
58.06598	1.8
59.52168	0.3
66.16819	0.3
67.05502	0.7
69.03442	0.6
69.07072	7.3
70.06587	3.5
72.08160	3.0
74.14413	0.3
81.07081	0.6
84.04504	10.5
84.08156	2.6
85.02903	1.1
86.09706	100.0
87.10043	1.8
89.03928	0.6
91.05477	0.7
93.07042	0.4
95.04994	0.5
95.08574	0.5
96.04498	0.4
98.09691	0.4
102.05544	6.3
105.06995	0.6
110.07151	0.5
112.08759	0.4
112.46494	0.3
117.03393	0.8
120.08096	0.8
127.03927	0.7
128.10709	0.3
129.06598	4.3
129.10228	2.0
130.05014	0.4
132.10202	1.4
135.04402	1.7
141.06616	0.6
144.06624	0.5
145.02831	1.0
145.05008	0.5
148.06055	0.7
151.08603	0.4
152.10799	0.6
162.07625	0.8
163.03908	8.8
163.11220	0.5
164.04240	0.4
170.11755	2.7
185.16536	0.8
197.12878	5.0
199.18015	2.7
213.16019	0.7
215.13918	20.4
216.14203	0.6
225.12267	2.4
227.17531	2.7
243.13402	15.9
244.13910	0.5
245.18593	15.1
246.18961	1.1
261.14478	2.1
275.16019	1.2
310.21265	1.1
338.20874	1.6
339.21103	0.5
356.21841	1.8
381.21909	0.3
487.21002	3.9
487.31824	1.5
488.31644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.05519	3.0
56.05040	4.4
58.06616	3.7
60.04513	3.7
67.05518	2.4
67.74205	2.7
69.03428	11.7
69.07069	4.9
70.06596	71.0
70.58646	1.8
71.05003	7.5
71.29857	3.6
72.08154	37.4
73.02921	4.4
75.70248	1.9
79.05539	3.5
81.03427	16.8
81.07046	2.7
81.57891	1.9
84.04501	24.5
84.08149	40.6
85.02906	55.2
85.40881	2.1
86.03244	2.8
86.09711	100.0
87.10022	4.7
88.03996	2.8
91.05486	6.6
97.02896	36.8
97.76283	2.3
98.97587	2.3
99.04469	38.6
101.07132	5.9
102.05531	13.0
103.03944	70.7
107.04993	2.6
108.04510	2.4
109.02865	22.6
110.07164	7.5
115.08711	2.7
116.07047	2.5
119.04938	10.0
120.08115	34.9
127.03918	84.3
128.04309	3.3
129.10243	35.3
130.06607	2.9
132.08153	3.4
132.10242	4.9
136.07549	3.3
141.10243	3.6
144.10207	2.5
145.04967	55.2
147.04424	42.5
155.08047	3.5
155.11932	2.1
159.07791	4.5
159.09196	7.1
163.03976	10.4
163.06029	30.0
164.04237	4.7
169.13423	5.1
173.09355	2.2
173.12842	3.3
183.11346	2.6
186.09164	2.6
187.06000	4.0
201.12367	9.8
205.07098	3.2
225.08070	5.0
226.11887	3.2
229.11797	6.6
231.11263	6.4
242.15025	3.6
243.09024	2.9
243.13382	4.1
244.09293	4.2
244.12999	4.8
245.18726	2.3
249.12408	5.0
255.06470	2.1
260.19861	3.3
261.14331	3.1
271.08209	7.8
286.17627	3.6
289.09204	4.7
327.11905	3.2
357.17343	2.8
375.22333	3.3
407.78815	2.2
488.31479	13.4
489.17526	5.7
489.30484	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	488.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44893	0.4
55.05511	2.6
56.05044	2.6
57.02339	0.4
59.39018	0.5
60.04519	0.7
66.33961	0.4
67.05487	0.5
69.03420	0.7
69.07061	1.3
70.02959	0.7
70.06594	14.1
71.29107	0.6
72.08157	21.6
73.08488	0.5
74.02439	1.4
81.03387	0.4
82.06586	0.4
82.18752	0.4
83.06110	1.2
84.04507	22.7
84.08146	38.9
85.02915	0.8
85.06535	0.5
85.08479	0.7
86.09707	100.0
87.05585	3.6
87.10040	1.5
88.04003	2.3
96.04498	0.4
96.08150	0.6
98.06062	0.6
99.00809	0.5
101.07136	0.8
101.10797	1.3
102.05543	7.0
102.06181	0.7
107.05004	0.7
110.07182	3.6
111.09194	0.4
112.08750	1.6
115.08719	1.1
116.03447	0.9
120.08131	0.9
123.04471	0.4
125.73762	0.5
127.03877	0.7
127.08702	0.7
129.06625	1.1
129.10242	21.6
130.05016	1.6
130.08652	0.8
130.10617	0.9
133.06085	9.3
135.04337	0.5
136.07597	0.5
136.08708	0.8
138.06613	0.5
139.05034	1.2
141.10274	0.8
143.11809	0.6
144.06577	0.8
144.10243	1.2
145.04933	0.6
147.04439	1.0
147.07672	1.0
147.11322	0.9
148.06046	2.3
152.14417	0.9
153.06567	0.4
155.08192	1.1
159.15784	0.5
161.09256	0.7
161.12915	0.5
163.03896	2.0
170.11743	0.4
173.12883	0.7
181.06065	4.7
182.04562	1.2
183.11293	0.6
183.15010	1.5
185.05716	0.4
185.16560	1.3
192.07738	1.0
196.14539	1.1
197.12946	1.6
197.16438	2.0
199.07100	2.0
199.18065	18.4
201.12332	2.6
204.89305	0.4
209.05589	2.4
209.10428	2.2
213.12425	0.5
213.16060	1.0
214.15681	0.6
215.13954	3.1
224.17670	1.0
226.08221	2.8
227.06628	10.4
227.17546	13.6
228.13467	0.5
229.11975	1.7
242.14998	0.9
242.18559	2.2
243.13383	4.7
244.09296	21.0
245.07680	0.7
247.12956	3.0
255.59888	0.4
260.16196	0.9
260.19656	2.3
261.14536	1.1
262.10342	8.5
262.12939	0.7
281.08261	0.6
313.25943	0.5
318.09378	0.4
322.18945	0.8
323.24402	0.6
328.22565	0.8
341.21988	0.6
341.25378	1.9
355.27527	0.5
356.21826	3.5
357.17993	0.4
357.22369	0.5
360.21341	0.5
373.13092	0.4
375.18652	2.0
407.06436	0.4
427.18729	0.4
470.26151	0.8
471.25308	0.4
488.31290	13.6
489.32004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.05033	2.2
58.06606	0.7
60.04518	2.0
67.05505	0.9
69.07064	2.2
69.56123	2.3
70.02952	1.0
70.06591	14.6
71.06918	0.9
72.08159	15.2
73.02930	0.7
74.06083	1.6
81.07067	0.7
83.06104	1.8
84.04504	7.7
84.08147	9.7
85.02907	1.3
86.09707	100.0
87.05587	6.3
87.10055	1.7
88.03996	7.8
91.05479	0.9
93.04591	0.5
95.06109	0.6
95.08592	0.9
96.04469	1.1
96.08148	1.9
98.02442	2.6
98.06060	0.9
100.03992	1.0
101.07130	0.7
102.05540	15.8
105.07040	0.8
109.02898	0.6
110.07178	1.7
110.09679	0.8
112.08758	0.9
113.02413	0.6
113.10755	1.3
116.07116	0.6
117.03388	0.6
120.08081	2.4
124.04016	0.6
126.09214	0.7
127.03922	1.0
128.10707	1.0
129.06682	0.6
129.10228	8.4
130.05017	3.0
130.06526	0.9
130.10580	0.5
132.10216	1.2
134.08115	0.8
135.04460	1.0
136.07573	1.2
138.09161	2.3
141.06627	1.2
141.10216	5.8
143.11807	2.0
144.06558	1.4
145.02855	0.7
147.07648	26.2
148.06062	0.7
155.08212	0.6
155.11757	2.7
156.10216	3.8
157.09700	0.8
157.13358	0.8
159.11284	1.1
161.09274	1.0
163.03922	3.8
164.04306	2.6
166.08693	0.8
169.13322	0.6
171.11363	1.4
173.12892	0.7
181.06134	1.3
183.11296	7.1
184.09761	1.3
187.07214	1.0
187.10797	0.8
187.14507	1.0
196.14536	1.2
197.12857	2.8
198.08858	0.8
199.07069	0.7
200.13968	3.4
201.12346	32.2
202.12718	0.8
213.12506	0.6
214.15533	0.7
215.13893	2.6
217.08263	0.9
225.12378	1.0
228.13451	1.8
229.11841	27.4
230.12245	1.1
233.14909	0.7
242.14938	0.6
243.13400	5.4
244.09286	1.7
245.07759	2.2
245.18622	1.3
260.16092	9.9
261.12027	0.5
261.14435	0.8
279.06717	0.8
280.06708	0.7
297.18179	1.2
342.20227	3.5
357.17624	1.2
357.21503	0.9
358.15729	0.8
470.27234	1.7
488.21442	1.0
488.27347	3.3
489.17438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05514	5.7
56.05031	3.9
57.05835	1.0
60.04535	6.9
63.32649	0.8
69.03437	0.8
69.07069	6.8
69.86189	3.0
70.06593	38.4
71.05007	1.1
71.06924	1.6
72.08157	75.1
73.08485	1.3
74.06075	1.1
76.19518	0.8
83.06110	1.6
84.04504	26.4
84.08147	29.9
85.02910	1.1
85.04067	0.9
85.64077	0.8
86.09706	100.0
87.05573	1.2
87.10021	2.5
88.04004	1.7
95.06079	2.9
96.08139	0.9
98.06059	0.9
101.07117	1.6
101.10811	1.1
102.05548	12.6
105.06633	1.8
107.04962	1.0
110.07154	4.8
112.08714	3.4
113.07160	1.5
114.09223	0.9
115.08681	4.0
116.07083	2.4
117.10247	0.9
120.08115	1.4
127.03914	1.4
127.08717	0.8
129.06618	10.8
129.10239	49.5
130.05019	4.8
130.06673	0.9
130.08586	1.8
130.10616	1.4
132.10217	2.0
133.06102	2.5
135.04440	1.1
140.08107	1.0
141.10201	3.0
142.08612	1.3
143.11774	4.6
144.10185	2.7
147.04349	2.0
147.07642	8.1
147.11278	2.9
148.06035	1.7
152.10681	1.5
155.08180	1.1
156.10242	2.1
157.09723	10.9
157.13397	1.6
159.09166	1.6
161.12779	1.3
162.07751	1.1
163.03914	5.5
164.04227	3.5
169.09718	2.0
170.11790	3.4
171.11276	4.0
175.10791	1.7
181.09677	1.3
183.11331	1.6
185.09180	2.4
186.12418	1.2
187.07138	1.0
189.12448	1.6
192.07678	1.4
196.14458	1.1
197.10307	1.2
197.12852	22.6
200.13972	1.1
201.12372	9.1
209.10313	4.8
213.12433	2.8
214.15517	1.0
215.13905	19.9
225.12334	10.2
225.17345	1.1
227.11450	7.8
228.13441	2.0
229.11810	8.8
231.17007	1.2
240.09955	1.2
242.15059	2.5
243.13368	8.3
244.13777	2.0
246.14532	5.4
247.11157	3.2
254.15002	2.2
260.16177	4.6
260.19617	3.9
261.14471	2.3
262.15210	1.6
270.17999	1.3
282.14462	3.4
286.14047	1.1
300.15500	6.9
308.22171	1.1
309.97882	1.0
322.18750	1.2
326.23236	2.9
339.21011	0.9
353.21790	12.4
354.22217	1.4
357.17450	0.8
371.22964	4.6
375.23392	2.0
381.21387	2.0
399.22452	2.9
427.67908	0.8
470.26349	0.9
471.28622	0.9
488.32129	33.6
489.23306	1.2
489.31699	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	488.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68288	3.0
55.05509	6.9
57.03429	12.1
57.07076	24.6
62.75210	2.6
67.05502	26.9
69.07067	9.4
70.58765	6.2
71.08644	15.1
81.07061	13.4
83.08614	4.3
85.10186	7.3
93.07065	8.6
95.08610	100.0
105.07059	3.2
109.10149	4.5
159.10202	11.8
167.77663	3.3
215.12823	51.9
308.67252	3.2
313.27408	50.1
314.27582	2.9
436.93713	3.9
453.35834	28.5
454.36093	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	489.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07066	0.9
61.02928	1.1
69.03428	2.2
70.06594	10.2
71.29613	1.0
72.08149	2.6
79.05482	1.5
79.65183	0.9
81.78809	0.9
84.08128	1.5
85.02910	7.4
86.09724	6.4
91.05478	5.4
94.04208	2.5
97.02888	3.7
99.04461	1.0
103.05460	4.5
105.07021	5.4
115.05414	1.4
116.09092	1.1
117.07049	1.7
119.04947	4.1
122.03656	5.3
131.04938	9.5
131.59796	0.9
133.06509	3.9
134.07182	0.9
137.05981	100.0
138.06329	3.0
145.06471	3.2
147.04414	16.5
157.06500	1.5
159.09152	1.6
161.05989	26.7
162.06738	2.8
163.07556	5.6
173.06018	10.7
173.91173	1.0
174.51366	1.0
185.05962	3.7
190.34596	0.9
191.08565	3.6
202.07762	2.5
203.08556	4.5
219.08078	6.0
221.09561	1.5
229.15515	2.4
231.08096	5.5
237.09050	2.7
247.07607	2.5
248.08302	1.6
249.09085	2.7
251.10756	3.8
259.07541	2.7
265.08670	2.2
277.08652	9.9
279.10089	3.7
291.10159	1.1
297.11243	14.8
300.17044	1.4
309.11240	6.9
489.19162	1.1
489.30157	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	489.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11392	1.1
70.06593	0.6
72.08158	0.3
84.08141	0.3
86.09715	0.3
142.92238	0.2
173.23785	0.2
195.13901	0.2
214.16325	0.1
251.09903	0.2
317.08496	0.3
335.09369	0.3
344.78900	0.2
357.18823	2.7
361.18063	0.2
489.23065	100.0
490.23401	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	489.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01867	0.6
55.05505	1.3
57.03419	1.6
57.07064	0.4
59.04998	0.7
61.02927	0.6
67.05509	3.1
68.14626	0.4
69.03425	4.4
69.07064	3.5
69.62164	1.3
69.62572	0.8
70.06597	2.5
71.04979	1.5
72.08143	1.8
73.02897	1.1
77.56998	0.4
79.05486	1.5
81.03411	4.2
81.07058	7.4
83.04963	1.9
83.08617	0.5
84.08115	0.9
85.02907	13.5
85.06535	2.1
86.09720	2.5
91.05466	0.8
93.07028	3.0
95.04961	0.6
95.08607	7.0
97.02894	6.3
97.06528	3.7
99.04459	10.1
99.08089	1.8
103.03941	14.2
105.07045	2.1
107.08614	3.9
109.02876	4.8
109.06540	3.2
109.10154	6.5
111.08082	4.7
119.08582	1.7
120.08141	0.6
121.10143	12.6
122.10378	0.4
123.08062	2.7
123.11719	4.8
127.03913	19.5
128.04265	0.7
129.46559	0.4
135.11705	0.6
137.09598	6.4
137.10536	0.5
137.13246	3.7
138.10350	0.7
139.11179	9.8
145.03871	0.7
145.04961	8.9
147.11707	3.9
153.12712	0.4
159.09184	0.8
163.06065	2.7
165.12746	5.7
183.13806	100.0
184.14088	3.4
184.86479	0.5
187.06000	1.2
222.34373	0.4
253.07030	0.6
271.08078	1.3
391.02686	0.4
437.13434	0.4
489.23145	5.6
490.33435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01865	2.3
55.05513	17.5
57.03431	17.4
57.07076	4.6
67.05503	68.3
69.07062	15.1
71.08635	2.4
79.05494	43.7
81.07057	72.1
83.04976	2.0
83.08617	7.3
85.06532	4.2
91.05475	28.5
91.13439	1.8
93.07039	53.6
95.04967	4.8
95.08603	50.7
97.06493	3.0
97.10157	2.3
98.22539	3.4
98.98463	100.0
105.07037	28.9
107.08598	40.2
109.06481	4.6
109.10159	24.7
116.99434	2.6
117.07007	12.9
119.08578	21.3
121.10146	33.4
123.08087	2.5
123.11710	11.6
131.08551	24.0
133.10107	22.0
135.11697	19.9
136.99992	4.6
137.13271	4.0
138.13583	2.2
145.10124	14.7
147.11679	13.2
149.13277	16.4
155.01030	73.6
159.11697	12.0
161.13264	12.4
163.14774	9.5
173.13280	12.8
175.14825	5.8
177.12772	2.7
177.16376	3.8
187.14832	5.2
201.16379	3.8
205.15945	3.1
211.03717	4.9
229.04732	8.2
229.20868	2.1
233.22679	2.5
243.21098	19.8
261.22125	45.5
261.24673	4.0
262.22449	3.3
291.00174	2.0
317.24698	17.9
335.25787	98.7
336.26138	7.3
383.37393	2.8
415.22211	3.0
471.25104	13.3
488.43237	3.1
489.43246	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	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
53.63803	0.8
55.01870	1.2
55.05511	19.7
57.03434	4.3
57.07077	3.2
59.05003	3.5
60.58345	0.7
65.03930	3.6
67.05503	100.0
67.65916	0.7
68.05830	1.5
69.03423	1.7
69.07068	12.5
70.45310	2.3
70.45657	0.7
71.04984	4.0
79.05492	35.2
80.05826	0.8
81.03436	0.9
81.07055	42.7
83.04974	2.1
83.08617	9.6
83.89503	0.8
85.06542	3.4
91.04891	1.2
91.05476	29.4
93.07040	38.1
94.07383	1.0
95.04980	3.3
95.08604	29.5
96.08963	1.6
97.06533	2.5
97.10183	2.9
103.05500	1.1
105.04533	1.6
105.07022	23.0
107.04952	0.8
107.08594	22.3
109.06530	1.4
109.10152	61.2
110.10483	1.4
111.08099	3.2
113.09752	0.8
117.07012	8.5
119.08578	28.9
121.10143	17.5
123.11742	3.3
125.09587	1.7
129.07019	3.4
131.08569	13.4
133.10123	16.2
135.11687	10.0
137.09654	3.3
139.11163	1.6
141.06973	1.4
141.58415	0.9
143.08565	5.3
144.09373	0.8
145.10130	14.1
147.11684	12.0
149.09673	1.0
149.13278	7.0
155.08572	2.1
155.10680	2.2
157.10124	5.0
159.11697	10.6
161.13266	6.4
163.14827	2.4
169.10112	1.9
171.11705	4.8
173.11768	17.8
173.13293	8.0
175.14847	3.1
183.11716	4.1
185.13222	4.0
187.14809	4.3
189.16425	1.0
197.13295	2.0
199.14839	2.1
201.16412	1.7
211.14868	1.8
213.16466	2.9
215.17921	0.9
217.15887	1.0
218.26158	0.9
225.16246	1.1
225.24478	0.7
229.14125	1.1
239.18039	1.5
241.19661	1.1
243.21156	1.8
245.19019	0.7
253.19624	0.9
259.20459	0.9
261.22076	6.9
273.22183	0.9
285.22314	1.2
297.22174	1.2
299.23679	1.3
317.24866	3.1
329.24622	1.0
363.25293	1.6
377.26941	1.8
379.29840	7.2
391.28409	1.0
397.30991	10.7
398.31290	1.6
415.32013	3.2
419.00052	0.9
433.33066	1.1
435.32425	1.1
471.34683	7.4
472.35413	1.0
482.03110	0.9
489.35721	86.7
490.35913	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	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01867	1.8
55.05515	24.0
55.66531	1.7
57.03434	4.0
57.07057	3.4
59.05000	4.1
65.03934	2.9
67.05505	99.8
69.03428	1.9
69.07076	15.3
69.68312	1.5
71.04980	3.6
71.31496	2.1
77.03903	1.4
79.05063	2.8
79.05495	36.0
81.07053	50.4
81.20127	1.7
83.04986	5.5
83.08619	11.0
85.06538	2.4
88.50266	1.4
91.05478	32.5
91.06009	2.5
93.07038	44.7
95.04980	4.2
95.08607	34.2
97.06518	3.8
97.10159	3.6
99.08143	2.0
99.82639	1.6
100.62450	1.5
105.07029	27.9
107.08592	26.2
109.10156	66.3
110.10468	1.9
111.08105	5.9
111.11694	1.7
117.07011	8.7
118.50620	1.4
119.08573	36.9
119.09341	2.9
121.10133	19.8
123.08060	3.6
123.11726	2.7
125.09629	2.8
128.06268	2.0
129.07022	4.3
131.08575	23.8
133.10124	20.5
134.79721	1.4
135.11699	10.7
135.63678	1.8
137.09627	3.0
139.11168	3.9
141.06990	3.2
143.08568	5.8
144.09325	1.9
145.10117	16.4
147.11673	17.6
149.13274	5.7
155.08543	3.7
155.10698	3.2
157.10149	7.4
159.11665	13.9
161.13242	7.5
163.14810	2.9
169.10057	2.2
171.11687	6.2
173.11758	16.2
173.13298	12.7
175.14891	2.9
178.44901	1.6
178.74019	1.7
183.11707	5.5
185.13316	5.7
187.14873	5.8
195.11668	1.8
197.13293	4.2
199.14854	2.8
201.16426	2.1
211.14839	3.0
213.16437	2.2
241.19614	2.1
255.21243	2.1
259.20639	2.4
261.22058	9.7
269.69659	1.7
273.16541	1.9
297.22281	1.8
299.23901	1.9
302.73276	1.6
317.25031	2.5
370.73294	1.5
379.29953	11.2
383.25977	1.7
397.30984	18.0
415.32123	6.8
433.33047	2.6
471.34366	11.5
489.35748	100.0
490.36121	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01866	2.0
55.05515	17.5
57.03431	4.1
57.07079	3.0
59.04998	3.4
61.46136	0.7
65.03941	4.1
67.05505	100.0
68.05856	1.3
69.03436	1.8
69.07072	14.5
69.56103	5.4
71.04983	3.6
79.05493	32.1
81.07057	41.9
83.04985	2.5
83.08618	10.3
85.06536	5.1
91.05478	26.2
93.07046	36.1
93.07635	1.8
94.07369	1.0
95.04973	4.6
95.08611	27.2
97.06528	3.7
97.10161	3.9
99.08098	1.5
105.04533	1.1
105.07038	20.8
107.08589	19.9
107.09284	1.3
109.06525	1.2
109.10157	61.2
110.10491	1.6
111.08073	2.6
117.07022	8.2
119.08582	23.8
120.08944	1.4
121.06548	1.0
121.10147	16.0
123.08094	1.8
123.11732	3.0
125.09675	1.8
129.07036	3.1
131.08571	14.1
133.10141	15.3
133.11089	1.6
135.08087	1.2
135.11685	9.7
137.09648	3.6
139.11169	1.3
141.06992	1.4
142.07785	1.3
143.08597	4.8
145.10114	14.5
147.11676	8.2
149.09637	1.5
149.13217	4.5
155.08557	1.9
155.10687	3.6
157.10129	3.6
159.08109	0.9
159.11693	9.5
159.16670	0.9
161.13252	5.4
163.14844	1.8
169.10167	1.9
171.11676	4.5
173.11771	15.5
173.13309	7.7
175.11000	0.9
175.14836	2.2
176.90129	0.9
181.10173	1.0
183.11739	2.6
185.13280	3.4
187.14827	2.6
191.14197	1.1
193.10242	1.2
197.13327	2.7
199.14893	2.3
201.16417	1.4
211.14833	1.8
213.16470	1.2
219.11710	1.2
225.16580	1.1
229.14359	1.2
241.19516	1.0
243.21111	2.3
255.21082	1.0
259.20471	1.3
261.22165	9.4
273.22162	1.2
285.22577	1.1
317.24817	3.2
352.86038	0.9
355.38150	0.9
377.26913	2.1
379.29904	4.7
383.25909	1.6
397.31119	8.3
415.32178	2.7
471.34494	5.3
472.35681	0.9
489.35770	67.9
490.36182	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69643	0.3
55.05509	0.5
56.05036	4.0
56.96560	0.9
60.04526	0.6
60.05624	0.4
64.78961	0.4
67.05508	0.9
69.07074	1.6
69.20937	0.3
70.02974	1.4
70.06595	5.7
71.27953	0.6
72.08151	1.5
74.06091	0.9
82.06589	2.1
84.04497	2.5
84.08144	100.0
85.02882	0.4
85.06543	0.7
85.08510	1.8
86.09708	21.4
88.03991	3.8
94.06587	0.4
98.97593	1.6
101.10778	2.1
102.05570	0.5
102.09171	0.6
110.06013	0.8
110.07173	0.4
111.09216	3.9
112.07616	1.9
112.08728	1.2
120.08124	0.5
127.08665	1.0
129.10242	87.8
130.04921	0.4
130.08636	0.9
130.10593	1.6
136.06122	0.4
138.05487	0.4
139.08653	5.2
141.10208	1.1
147.11301	0.8
152.05684	0.5
152.14297	0.8
156.11333	0.5
157.09764	1.0
164.07019	0.4
166.09750	0.7
167.08139	1.2
175.11887	0.6
180.11354	1.0
181.09647	0.5
183.11235	0.6
184.10797	5.5
191.08110	0.9
191.62686	0.3
195.12521	0.4
195.14899	1.2
197.16518	2.4
198.12363	1.8
199.10782	0.8
203.10306	0.6
208.10722	0.7
209.09219	12.6
210.09471	0.4
216.36765	0.4
219.01944	0.5
222.12341	1.1
224.17618	2.9
226.11868	19.9
227.10207	1.5
227.12195	0.4
231.09634	0.5
233.14842	0.6
238.21487	0.4
240.13445	3.6
241.11859	0.5
241.15479	1.2
243.12694	0.5
244.12935	19.8
247.12910	3.2
252.17078	0.6
258.14413	1.2
260.19571	0.9
270.18103	4.3
274.97333	0.5
295.16400	0.5
304.16409	0.7
311.20834	0.5
313.52072	0.4
321.19046	1.5
322.17447	1.3
329.21716	2.9
339.16330	0.6
339.20255	8.8
340.18539	1.4
353.21619	0.8
357.21317	14.5
358.21533	0.7
371.22934	3.2
375.22391	2.4
385.20804	0.7
398.20432	0.4
455.20410	0.5
472.23602	1.8
473.22464	0.8
490.24725	25.1
491.25024	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	490.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05513	11.9
56.05034	24.9
57.03454	2.5
58.06604	4.3
60.04519	4.0
61.01142	19.6
63.11662	1.5
67.62341	1.2
69.03426	2.2
69.07073	5.2
70.06592	34.5
71.06924	2.8
71.08628	8.4
71.29145	2.6
72.08155	96.6
74.02425	2.6
74.06078	10.7
75.02727	2.6
79.05513	1.4
81.03414	2.3
83.04993	1.6
84.04501	39.0
84.08144	24.6
85.02909	4.2
85.04846	2.5
85.08476	3.8
86.09706	100.0
87.05608	3.7
87.10047	6.1
88.03983	2.2
90.98451	1.4
91.05474	2.5
96.08104	1.7
97.02905	4.0
98.06054	1.9
98.09692	8.5
98.69713	1.4
99.04469	2.4
101.07130	9.1
102.05561	5.7
103.93008	1.3
104.05325	47.5
109.02924	2.0
110.07162	8.6
111.08206	1.4
113.07117	2.1
115.08717	1.6
116.07116	4.6
117.10268	1.3
119.04932	1.4
120.08125	5.2
120.71961	1.3
124.11254	6.0
127.03918	3.6
127.08692	2.3
128.10735	2.9
129.06592	2.1
129.10236	22.4
130.05000	60.0
130.08627	2.7
130.37465	1.4
132.04781	2.8
132.10194	1.6
136.07599	4.6
137.05974	2.2
138.05501	2.0
141.06598	2.8
141.10271	3.1
143.11821	5.1
144.06535	4.0
144.10205	2.8
147.04404	4.8
147.07643	88.4
147.11519	1.9
148.07938	2.0
149.09540	1.9
159.07626	1.9
159.11324	3.4
162.07634	3.8
165.05486	2.8
166.05290	3.1
169.13377	5.2
171.07736	1.5
171.11337	3.5
172.11549	50.5
173.05540	1.5
173.12967	2.6
177.09198	1.9
183.11229	2.1
185.16518	5.3
187.10895	2.0
200.11043	2.0
201.12375	5.3
202.12602	1.9
203.10652	8.8
207.13794	2.3
213.12358	2.8
213.15985	3.1
214.12750	1.9
215.13950	3.9
217.13702	76.1
224.10425	3.4
228.13400	2.1
229.11848	7.0
242.11386	4.2
243.13435	1.7
244.13045	3.5
245.13185	77.8
246.14508	73.4
246.18393	1.6
247.12726	1.9
247.14915	1.9
272.16092	1.9
279.13763	2.4
284.15952	1.7
314.06989	1.4
315.29129	1.6
328.24835	2.4
344.20020	14.7
423.80447	1.4
490.19443	2.8
490.26843	10.0
490.31564	2.0
491.21188	13.0
491.27530	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	490.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01876	4.7
55.05518	10.0
57.03438	1.8
61.02912	2.8
66.29038	1.8
67.05174	2.4
67.05502	24.3
69.03426	4.4
69.07073	11.8
69.78493	8.0
71.04982	3.7
75.60773	1.6
79.05495	21.7
81.03415	5.2
81.06583	3.4
81.07058	59.3
83.04973	4.9
83.08615	7.3
83.93866	1.9
85.02901	13.0
85.06551	3.9
91.05485	18.4
92.18533	1.7
93.07040	16.6
95.04973	5.9
95.08601	20.0
97.02876	4.0
97.06530	6.2
97.10178	2.2
105.07020	22.3
107.04929	6.2
107.08595	10.0
109.02859	2.3
109.06507	20.1
109.10147	6.7
117.07022	6.3
119.08590	15.8
121.06535	3.3
121.10155	7.2
123.08090	4.2
123.11710	3.5
127.03923	2.6
129.07019	2.6
131.08563	10.1
133.10149	14.5
135.08080	4.8
135.11720	2.9
137.09633	4.0
141.06967	2.2
143.27049	1.9
145.05013	5.5
145.10147	9.5
147.11685	12.8
149.09569	8.8
149.13266	4.9
151.11176	3.1
155.08530	2.5
157.10138	2.7
159.11661	4.9
161.13264	4.0
163.11183	7.7
163.14746	2.1
165.12750	3.9
169.10136	1.9
171.11725	2.3
173.13225	4.4
175.11198	4.3
177.12764	2.4
180.08713	2.8
192.66232	2.2
193.12215	3.1
229.19435	2.6
239.17885	2.2
247.20540	4.4
257.18936	8.9
275.20059	100.0
276.20413	6.9
293.21097	65.4
293.24438	2.0
294.21527	3.9
380.38058	1.9
394.46497	2.0
408.32758	2.1
418.91470	2.2
453.36887	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	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26518	10.6
55.05509	64.6
67.05494	86.6
69.03448	14.8
69.07080	40.5
69.40706	21.3
69.41034	85.1
70.06590	30.6
72.08160	22.9
75.25229	14.3
79.05493	54.3
81.07058	62.4
83.08625	23.3
84.08150	17.5
85.02905	39.5
85.03380	14.5
86.09695	25.3
88.92963	14.2
91.05494	50.0
93.07067	48.8
95.08622	45.7
96.08097	15.4
97.02913	19.8
97.10162	38.9
105.07044	58.2
107.08589	100.0
109.10177	40.0
119.08602	45.4
121.10173	22.6
125.09674	27.0
131.08575	16.3
133.10191	33.5
135.08066	16.5
135.11758	17.8
138.12733	22.2
145.86354	13.7
147.11676	20.5
149.09660	21.5
157.10152	16.6
173.11763	30.6
189.11246	45.4
212.16534	18.9
257.19016	17.1
275.20172	95.8
310.30869	18.1
460.44849	15.2
490.19620	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
56.05032	1.4
70.06595	3.6
72.08159	100.0
73.02923	1.4
81.07057	1.4
84.08146	1.8
86.09731	1.1
94.74795	0.9
97.06586	1.1
98.22413	1.7
111.04793	1.1
124.11222	1.9
140.46394	0.9
157.54208	1.0
228.63022	1.2
269.40097	1.1
304.56302	0.9
340.28510	1.5
358.29483	6.1
490.33774	59.1
491.34143	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	491.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01170	0.5
50.94210	0.6
56.05022	1.3
56.96563	13.8
58.06602	0.5
60.04513	0.6
70.06599	3.3
71.28836	0.8
71.95266	1.1
72.08145	2.1
72.96038	0.7
74.06079	1.2
84.04488	1.7
84.08141	13.3
84.96018	1.0
85.02885	1.3
85.08461	2.2
86.09702	4.7
87.10024	0.9
90.15496	0.5
98.97581	100.0
99.97884	0.8
102.05547	0.9
110.97592	1.6
116.07119	0.6
116.98621	39.2
118.99285	0.7
119.01874	0.6
120.08096	0.8
128.98610	1.7
129.06667	0.7
129.10239	11.2
129.11110	1.1
130.10571	2.6
134.99652	8.5
139.00687	1.0
140.00169	0.9
143.01944	0.7
155.00165	0.9
157.01706	2.1
158.99648	50.1
159.03180	2.7
160.00050	1.2
161.02960	1.1
164.98668	1.3
170.01274	0.6
170.99834	0.7
173.01198	1.6
175.02785	5.8
176.81784	0.6
177.00706	43.1
177.04269	1.5
182.99672	4.9
183.03285	3.3
191.02267	0.7
193.03854	1.6
195.01775	2.9
200.02357	1.8
201.00708	11.1
201.04333	6.3
201.12260	0.5
209.09122	0.7
211.74628	0.6
219.01772	42.4
219.05200	1.3
226.11858	1.8
227.12259	0.6
237.02872	5.0
240.13344	0.9
243.01772	6.5
243.05431	8.6
244.12921	1.0
245.13211	0.9
257.56406	0.5
261.02792	2.9
285.03073	0.8
285.06229	0.8
287.00772	0.8
303.03912	1.9
303.07401	15.0
303.10602	1.0
321.08551	17.4
326.18530	0.6
330.93073	0.6
340.20377	0.9
357.21405	0.9
407.04822	0.8
428.92023	0.7
429.10617	8.8
446.92612	0.8
447.11646	5.9
448.12125	0.7
473.09729	3.2
490.91956	0.8
491.10620	4.2
491.17905	0.6
491.24872	2.7
508.92236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1187
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
55.01854	0.2
55.05516	0.2
67.05494	0.4
68.99824	0.2
69.03427	0.2
69.07067	0.4
70.06578	0.7
70.89071	0.2
71.01353	0.4
72.04506	0.2
72.08160	0.9
73.02913	1.2
79.05486	0.2
81.07056	0.6
81.91595	0.1
83.01353	0.3
83.04961	0.2
84.08139	0.4
85.02902	1.9
86.09714	0.6
88.68761	0.1
91.05492	0.6
92.05779	0.1
93.07040	0.4
95.08578	0.4
101.02388	0.3
105.07016	0.4
107.08607	0.2
108.02079	0.3
109.10193	0.4
109.37894	0.1
110.07172	0.3
113.02335	0.7
118.04157	2.0
119.04957	0.4
119.08568	0.3
120.08096	0.6
121.02876	0.5
121.06535	0.2
121.10171	0.3
123.04504	0.2
131.03389	0.6
131.04930	0.2
133.10159	0.2
135.11707	0.1
136.01575	0.6
136.07599	0.2
137.05957	0.3
139.00256	0.2
141.01842	0.3
145.10114	0.2
147.11649	0.2
149.09538	0.2
151.00267	0.4
152.01033	0.5
153.01814	0.9
154.02612	0.8
155.08427	0.2
157.10194	0.2
161.92722	0.1
165.01839	0.2
165.09113	0.7
166.99762	0.4
169.01341	0.4
170.02101	0.3
181.01303	0.8
182.02109	0.9
197.04451	2.3
198.01582	0.8
198.06703	0.2
200.03177	0.3
207.02872	0.2
225.05342	0.2
226.06198	0.3
236.04669	0.2
241.81204	0.2
242.05827	0.3
253.04976	1.6
254.05724	2.5
257.04419	0.4
265.04617	0.1
269.04465	1.8
270.05319	0.4
271.06000	11.2
272.06387	0.7
281.04401	1.4
282.05200	5.4
283.05942	2.9
284.06445	0.4
285.04056	1.0
286.04672	1.8
286.74747	0.2
293.04401	0.3
299.05493	11.2
300.06262	14.9
301.06564	0.6
309.03973	0.3
315.08609	100.0
316.08929	5.1
323.92432	0.2
325.07101	0.9
438.97693	0.1
491.11868	3.9
491.19107	0.3
491.28125	0.2
492.11942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16033	0.3
55.05512	0.6
56.05030	0.8
56.44551	0.3
58.06599	0.4
68.05026	0.6
69.03421	0.5
69.06612	2.0
69.07044	1.7
70.06594	100.0
71.06915	1.7
72.08155	5.7
73.69461	0.3
74.91290	0.4
81.03419	0.6
84.04510	4.6
84.08149	1.2
85.02909	0.6
86.09712	4.5
87.10043	0.7
93.07034	0.8
95.91847	0.3
96.08148	1.4
102.05544	3.8
103.05483	2.1
105.07048	0.4
110.07182	1.2
114.09177	2.7
116.07101	1.5
118.08652	1.0
120.08108	43.7
121.08464	0.9
127.03973	0.5
129.10283	0.7
136.07593	0.7
136.96321	0.4
145.04968	0.5
169.13356	2.7
181.09799	0.8
186.09123	1.6
204.10083	0.4
209.09200	0.6
215.13916	70.9
216.14253	2.5
219.14903	0.8
227.10257	1.0
247.14500	0.7
249.12349	5.8
277.11807	3.7
326.17117	0.5
328.24869	0.5
329.25095	1.0
330.26294	0.9
344.18188	0.5
380.14224	0.5
491.20691	0.7
491.31964	3.7
492.30966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	57.0
55.93587	5.9
56.19463	6.9
56.27208	5.4
57.03434	7.0
57.07079	21.7
67.05171	8.6
67.05510	78.1
69.07070	78.7
71.08633	13.5
79.05493	37.1
81.07057	97.7
83.08628	42.3
91.05462	9.5
93.07037	47.4
95.08617	62.2
97.06544	23.8
97.10174	27.7
98.22556	13.5
98.84130	5.7
98.98469	18.9
105.07069	11.8
106.84972	5.9
107.08581	31.0
109.10172	39.0
111.08080	15.6
121.10122	59.8
123.11719	15.6
133.10164	12.7
135.11696	42.5
137.13248	18.9
147.11678	9.0
149.13242	14.5
154.37926	7.5
155.01044	26.1
163.14865	14.1
167.03053	6.4
219.21112	51.8
220.21445	8.5
237.22112	100.0
245.22617	7.7
255.23242	13.4
265.25763	6.6
311.25778	80.5
329.26852	9.3
337.27386	22.5
425.78723	8.0
491.34595	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	492.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59364	4.5
70.06598	10.2
71.06935	1.1
79.99678	0.8
84.08160	7.4
85.02869	0.9
86.09717	2.4
88.03922	0.8
97.70873	0.8
98.22685	1.7
103.05472	43.8
103.31693	0.9
104.05810	1.5
115.03963	1.4
120.08115	1.5
124.90580	0.8
129.10255	2.0
131.04932	100.0
132.05243	2.7
136.52039	0.8
163.07545	37.9
164.07924	1.3
172.13980	0.8
228.21155	0.8
247.28983	0.8
263.13885	2.5
276.61176	1.0
300.82474	1.0
313.93533	0.9
491.78659	1.0
492.29446	1.8
493.28873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01870	3.3
55.05507	3.2
59.06680	1.9
60.02677	2.1
67.05516	9.2
69.07072	4.8
70.06590	8.7
71.04966	2.2
72.08144	3.5
79.05503	4.9
81.07071	20.1
83.04997	3.9
84.08141	3.0
85.02902	4.7
86.09724	4.0
87.41203	1.8
93.07040	5.8
95.04927	2.4
95.08620	8.0
99.04472	2.3
104.96140	1.9
105.07053	2.2
105.15761	1.9
107.08564	3.3
109.06519	6.7
109.10167	6.1
111.04444	14.1
119.08617	5.2
120.08113	5.4
121.10143	3.7
123.08112	2.9
123.11694	2.6
125.05965	2.5
129.10242	2.2
135.08044	2.4
135.11665	4.4
137.05981	74.9
137.09641	5.5
138.06322	2.4
138.10069	2.1
143.92055	2.0
147.11700	3.8
149.02293	2.1
149.09676	3.2
151.07559	3.1
157.10139	3.2
161.09637	4.8
165.09113	27.7
166.09496	12.8
175.11201	2.4
203.17923	4.3
231.17453	8.7
249.18460	5.8
251.11775	2.6
277.17981	100.0
278.18408	5.2
295.19055	24.9
296.11841	2.1
296.19229	2.5
309.12549	2.3
311.13422	2.1
327.13199	2.3
331.18854	3.0
369.14557	3.6
371.15826	2.9
483.13214	2.2
492.21198	4.8
492.29401	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	492.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05509	3.3
56.50632	1.0
57.03444	1.5
57.07075	14.9
58.99582	1.1
65.03941	2.6
67.05497	5.8
69.07069	12.4
71.08637	8.1
79.05491	10.8
81.07063	6.7
83.08632	2.6
85.10188	4.0
87.02702	3.2
91.05479	93.3
92.05819	1.5
93.07051	2.0
95.04972	1.6
95.08613	7.4
97.10174	1.2
98.22586	1.4
98.98492	1.2
101.04323	1.2
103.05443	6.7
105.07033	51.4
106.06572	3.1
106.07835	5.5
107.08606	4.3
109.09436	1.1
109.10166	3.8
121.10166	1.1
127.15438	1.0
133.06490	38.4
134.07294	21.4
135.08054	79.2
136.08374	2.6
137.04216	3.2
137.13275	1.1
143.08904	2.8
151.07535	18.6
155.03645	1.1
155.16249	0.9
165.03693	35.3
165.05011	2.0
166.04083	1.2
167.05264	7.2
179.05244	11.3
181.10153	7.1
182.10419	1.1
183.04695	1.7
187.11061	0.9
198.12779	63.5
199.13150	3.1
239.23679	6.2
257.24725	1.5
277.16226	28.9
278.16708	1.9
295.17258	100.0
296.17532	5.2
313.27325	16.6
330.18427	1.7
335.25696	1.0
338.27560	1.4
340.92770	0.9
343.32358	1.2
350.97711	1.1
389.91074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.3
56.05037	1.7
57.03447	8.7
57.07083	3.6
58.06598	6.7
61.02924	3.0
62.99983	1.7
67.05511	11.0
69.03438	8.7
69.07072	9.6
69.33193	8.1
70.06604	8.8
71.08637	2.2
72.08158	30.3
81.03398	3.3
81.07053	17.4
83.08611	8.4
84.08147	6.7
85.02916	18.0
85.08930	3.3
86.09710	5.5
93.07064	2.6
95.08604	11.7
97.02895	7.6
97.10172	5.8
98.09681	10.7
109.02885	3.0
109.10159	7.8
110.09743	1.8
120.08127	3.4
121.10126	2.5
127.03950	2.4
127.26543	1.8
134.44023	1.7
154.16168	2.3
222.68788	1.9
294.31512	22.5
312.32593	83.4
313.32980	4.3
330.33664	85.0
331.33850	4.5
360.09332	2.0
367.05737	2.1
369.14413	4.1
474.37970	8.6
492.21170	5.8
492.28497	4.2
492.38925	100.0
493.39322	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	493.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45173	1.0
53.03950	12.5
55.01872	6.1
55.05503	6.1
56.05029	2.3
57.03445	2.0
59.04990	1.3
65.03938	1.8
67.05492	6.6
68.79150	0.8
68.99796	4.6
69.03426	16.2
69.07074	4.1
70.06590	6.6
71.01357	1.0
71.04996	6.8
72.08160	5.5
74.06079	2.4
77.03927	1.2
79.05489	10.6
81.03416	28.4
81.07069	5.6
83.04980	17.8
84.04513	2.4
84.08151	3.6
85.02901	25.6
85.06536	1.0
86.09711	5.9
91.05476	24.0
91.06007	1.6
93.07040	15.0
94.07362	1.4
95.04967	10.8
95.08619	3.7
96.08131	3.3
97.02889	48.7
97.06532	1.9
97.08462	1.0
99.04448	52.0
103.03937	31.8
103.05444	8.8
104.05312	1.0
105.04517	2.1
105.07031	14.0
105.07685	1.5
107.04954	6.7
107.08586	11.3
108.02114	2.0
109.02873	60.4
109.06514	7.1
109.10165	4.0
110.07166	2.0
111.04437	4.1
111.08073	1.4
114.09143	10.6
115.05442	1.6
115.09494	2.5
116.07118	1.2
117.07008	7.9
119.04967	1.8
119.08581	12.5
120.08112	3.6
121.02908	1.2
121.06504	34.9
121.10172	3.1
122.07188	0.8
123.04440	1.3
123.08072	2.9
127.03910	100.0
128.04282	2.5
128.06204	1.4
129.07024	4.4
129.10275	0.9
130.07825	2.7
131.04863	1.8
131.08594	6.1
133.06496	2.2
133.10117	8.6
135.08038	10.8
135.11719	2.2
137.05991	3.7
137.09605	33.3
139.07501	1.3
142.07800	2.6
143.08580	1.7
144.09320	2.3
145.04976	11.1
145.06499	2.9
145.10110	10.0
146.07292	1.1
147.08031	5.3
147.11697	2.6
149.05971	87.2
149.13269	1.8
150.06355	3.8
151.07562	1.4
151.11205	1.4
157.10123	4.3
159.08080	3.6
159.11705	16.3
160.08821	1.1
161.05908	1.1
161.09604	9.1
163.07532	2.1
163.11180	4.6
165.09161	1.2
169.10112	1.5
172.08820	2.4
173.09567	1.4
175.11168	18.4
177.09178	2.7
177.12752	7.4
179.06938	1.0
179.10660	2.3
183.08069	1.3
185.09444	1.2
187.11171	13.4
189.12692	1.2
193.12238	6.8
201.09251	1.0
203.10719	3.2
205.12224	67.7
206.12656	2.4
209.08070	1.9
217.12154	2.3
223.13261	14.1
229.12300	2.2
230.10432	1.2
233.14890	1.3
253.07051	2.9
259.13571	1.1
271.08224	5.3
285.15012	2.7
313.14294	4.1
331.08975	1.3
331.15494	1.6
332.27945	0.9
349.16443	3.2
367.17041	1.2
384.02036	1.1
437.63693	1.0
449.22095	1.5
459.25046	1.0
475.19351	5.9
493.20404	1.5
493.31848	5.2
494.33749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19685	0.4
62.98263	5.0
67.05521	0.9
69.00733	5.0
81.07063	1.0
83.08659	0.6
113.00002	1.0
120.08090	0.8
124.93778	31.4
142.94806	0.9
156.96385	45.5
191.00934	0.6
212.98956	4.6
314.36411	0.5
325.21060	1.5
337.27490	2.7
339.29065	0.8
384.18393	0.6
461.20389	11.0
462.20325	0.7
493.23022	100.0
494.23315	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	493.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
55.37751	1.8
56.05038	2.2
57.03449	3.2
61.02909	3.8
65.03934	2.6
67.05505	28.2
69.07076	11.0
69.08257	6.4
69.08674	12.5
70.06590	6.8
71.04970	2.4
71.08623	1.9
72.04507	6.4
72.08144	7.7
79.05492	24.4
81.07053	47.1
83.04960	5.3
83.08620	9.2
84.04489	2.9
84.08131	4.8
85.02901	5.8
85.06507	2.1
85.44580	1.7
86.09710	5.0
91.05467	8.7
93.07047	35.7
95.04984	3.4
95.08607	15.9
97.02827	2.4
97.06530	5.2
97.10168	2.1
99.04464	2.7
99.08099	3.2
102.05564	3.0
105.07040	6.0
107.08578	29.0
107.11977	2.1
109.10127	6.6
110.07130	2.4
111.08070	5.4
117.07010	8.8
120.08112	5.7
121.09294	2.4
121.10139	10.4
123.11691	13.5
127.03841	2.0
129.10265	3.2
131.08574	8.9
133.10103	10.7
135.07993	2.2
135.11703	7.6
136.07582	2.5
145.10114	4.6
147.11653	2.9
149.13251	23.0
151.07550	4.6
151.11122	1.9
158.09573	3.0
159.09242	2.1
159.11699	13.7
165.09123	5.6
177.09258	2.2
177.12717	9.6
181.99481	1.9
195.13812	25.9
204.13879	6.7
213.14810	4.3
222.14874	10.9
240.15947	44.2
269.17413	7.4
296.18552	100.0
297.18851	5.7
314.19540	8.4
332.25784	2.4
372.20642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.05512	7.3
57.03434	4.7
57.06793	2.9
57.07076	53.6
60.08154	1.7
61.02925	1.9
67.05502	12.8
67.90636	1.2
69.07069	9.5
69.16958	9.7
71.04976	1.5
71.08631	36.4
72.08165	1.9
75.04486	2.4
77.62582	1.4
81.03429	1.4
81.07055	20.2
83.08623	12.9
83.82747	1.2
85.02906	2.7
85.10189	20.9
86.09709	5.6
89.06011	1.5
93.07057	1.5
95.08610	28.3
97.02922	2.1
97.06497	1.4
97.10169	6.9
98.22590	2.4
98.62419	1.9
104.10728	6.3
109.10160	13.3
111.11747	2.4
123.11705	5.0
125.00006	2.7
125.13338	3.0
135.11725	1.4
137.13274	2.3
141.31219	1.2
151.14822	1.3
165.16290	1.3
168.46286	1.1
178.13257	1.2
184.07315	12.7
221.22665	2.0
239.23695	41.4
240.24055	2.3
257.24719	4.9
313.27359	100.0
314.27710	5.3
331.28458	2.2
418.75919	1.7
493.16888	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.7
57.03457	6.0
57.07075	64.4
67.05503	24.2
67.76744	5.1
69.07072	21.2
69.82094	20.1
71.08636	48.1
79.05522	10.7
81.07049	37.6
83.08628	19.6
85.10170	31.1
86.09667	7.4
89.06064	7.8
90.55888	5.0
91.05490	13.1
93.07072	12.5
95.08624	54.0
97.06583	11.7
97.10181	16.6
105.03400	5.1
105.07050	13.0
107.08604	16.9
109.10144	31.6
117.07043	5.3
119.08587	9.1
121.06524	6.1
121.10169	24.2
123.11694	15.5
124.93798	18.9
126.17625	5.7
138.52657	5.0
139.11182	9.9
156.96417	29.9
157.10097	9.2
181.12247	12.9
225.35114	5.3
233.15355	6.4
239.23692	56.3
257.24792	9.3
281.19284	5.6
313.27426	100.0
383.25543	5.9
461.20322	7.0
493.23001	39.9
493.32608	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	71.6
67.36935	0.9
69.03428	2.2
69.15092	7.0
70.06599	7.2
71.95267	4.1
72.08168	3.0
72.96043	2.1
79.06329	0.9
80.55046	1.0
83.06106	2.0
84.04514	10.8
84.08141	6.7
84.96033	10.3
85.02871	2.1
86.09733	3.0
96.04488	3.7
97.02916	1.9
97.99189	1.1
98.06047	1.5
98.23314	1.6
98.97581	44.4
102.05553	2.9
102.89095	1.0
110.07153	7.0
110.97567	82.9
112.99142	6.4
116.07108	3.4
116.98619	18.1
120.08107	1.4
125.40760	1.0
126.05525	5.0
126.29464	0.9
128.98607	100.0
129.10240	2.6
130.05013	3.1
131.00194	6.8
134.99710	5.2
136.06186	49.1
138.05508	14.5
139.00703	4.1
140.98592	1.4
143.00183	1.5
144.06557	4.5
144.98091	2.0
146.99651	49.9
147.07726	1.0
147.99968	1.1
148.06047	8.8
149.01196	2.7
152.07088	1.7
155.00185	4.3
155.09256	1.2
157.01730	7.9
158.99673	2.2
162.99144	2.5
163.03918	1.4
164.98607	2.8
165.00710	3.2
166.06168	1.2
168.06563	1.5
170.01274	1.5
170.99626	6.9
173.01227	9.9
174.00984	4.0
175.02782	21.7
177.05499	1.3
182.99635	18.0
186.07632	1.6
189.00711	15.1
189.02264	1.2
191.02287	2.4
192.01923	75.1
193.03864	10.5
196.06526	1.0
201.00714	29.1
204.05405	1.4
207.01799	4.1
210.02991	57.3
219.01767	18.3
220.01477	5.9
226.11975	1.1
227.10220	1.7
228.04015	6.2
232.05103	1.0
234.02997	14.6
234.12294	1.1
237.02843	2.6
238.02563	3.2
246.02972	35.6
248.04533	5.3
251.15067	2.9
252.04010	5.0
262.02698	1.1
264.04041	16.1
266.05643	2.0
268.10416	6.8
274.06085	2.7
280.03601	1.3
282.05258	1.6
291.11829	1.7
292.07071	2.5
301.13852	2.6
302.32376	0.9
306.05011	5.4
318.05115	7.4
324.06143	82.0
325.06354	3.7
332.24280	1.3
342.07211	87.4
343.07510	3.4
346.07217	1.0
347.07797	2.3
365.08871	2.8
379.20761	2.6
406.10400	3.2
427.45172	1.1
432.08261	33.5
433.08447	2.0
450.09271	35.1
451.09784	2.0
494.07861	1.1
494.30035	2.2
495.16211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36132	2.9
56.05026	3.5
63.93900	3.1
69.03438	5.3
70.06596	9.4
71.14202	3.2
74.90978	3.0
81.03412	6.0
83.49649	2.9
84.04507	55.8
96.04492	26.4
97.02917	4.1
98.06059	10.9
102.05519	17.1
109.02872	4.7
110.97581	5.4
116.07089	13.4
117.08736	3.2
126.05509	41.2
128.98624	4.8
130.05000	13.3
134.55072	3.4
138.05496	100.0
138.06511	7.0
144.06558	25.1
148.04974	5.7
148.06055	68.3
160.58777	3.8
167.07083	6.6
168.06601	18.2
186.07634	14.7
192.01991	3.9
211.09698	10.1
224.50653	3.3
264.22549	3.9
279.13358	3.7
291.11856	13.1
301.13992	13.2
324.06073	3.4
329.13507	12.7
342.07230	4.3
411.58578	4.1
445.80695	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.7
53.40600	2.3
54.24506	2.4
55.05509	6.2
56.05030	2.9
57.03448	3.0
60.57871	2.5
65.03963	2.5
67.05511	5.1
69.03432	16.0
69.07063	5.3
69.58019	2.7
70.06602	14.6
70.06937	3.7
70.66552	2.7
71.05013	6.6
71.30112	3.1
72.08155	22.8
72.57660	2.4
73.02901	5.1
79.05487	11.3
81.03419	18.1
81.07059	10.6
83.04971	3.7
84.08143	8.2
85.02903	61.5
86.09703	13.6
91.05479	21.0
93.07048	67.5
95.04980	7.0
95.08619	6.2
97.02883	37.2
97.06540	3.3
98.03221	6.0
99.04459	39.9
102.07205	3.0
103.03941	65.7
105.07037	8.7
107.08601	72.4
109.02879	17.8
109.06503	4.1
109.10152	5.5
110.03262	3.2
116.07103	3.1
119.08604	2.6
120.08104	12.9
121.06553	4.1
121.08493	5.9
121.10151	2.6
127.03918	100.0
127.88211	2.5
128.04230	5.6
129.10274	3.9
134.48993	2.7
135.08066	2.7
135.11696	57.0
137.09622	10.8
145.04958	43.7
146.05302	3.2
153.12785	2.8
163.06001	33.2
180.10136	3.8
187.05986	3.1
201.12415	3.5
207.13884	3.6
223.13272	9.5
224.13672	7.3
265.15414	4.3
271.08105	4.0
289.08994	3.5
307.10175	7.0
332.27808	5.1
494.29840	16.0
494.36362	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	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90453	3.5
53.03947	10.8
53.55734	3.9
55.05511	12.0
61.59727	3.3
63.61530	3.5
67.05506	10.0
69.03426	19.2
69.07059	4.5
69.51756	4.1
70.06599	9.9
70.56556	7.3
70.56884	3.9
71.05000	4.0
72.08156	13.4
73.02931	6.8
74.49115	3.4
79.05499	16.5
81.03425	17.8
81.07066	10.9
83.04979	4.5
83.27701	3.9
84.08150	8.9
85.02906	60.0
86.09709	14.0
87.04488	5.5
91.05461	23.3
93.07045	67.4
95.04948	5.0
95.08635	6.6
97.02888	54.7
97.06564	4.2
99.04461	43.8
100.04759	4.3
103.03950	70.0
103.04629	4.3
104.04291	4.4
105.07043	10.2
105.51673	3.7
107.08592	81.0
109.02894	21.9
109.06505	7.8
109.10143	4.2
110.43034	3.4
119.06116	4.8
119.08598	6.1
120.08118	14.9
121.06520	6.5
121.08388	3.8
121.10137	4.1
122.06905	4.3
127.03918	100.0
128.04289	11.0
129.10304	6.6
135.11673	58.5
137.09641	17.5
138.09982	9.6
145.04971	42.0
163.06004	27.7
165.78252	3.9
223.13269	21.0
224.13736	19.6
271.08234	4.1
286.11340	4.1
289.09299	5.6
307.10226	10.4
330.24304	5.2
348.25418	14.6
494.29779	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.7
55.05489	0.5
56.05032	2.4
58.06599	17.4
59.04970	0.5
60.04505	0.8
67.05471	1.7
69.03439	2.1
69.03712	0.5
69.07041	0.6
69.45158	1.3
69.45570	1.2
70.06590	7.5
71.04972	0.5
71.06066	0.5
72.08154	10.2
73.02903	0.5
74.06052	0.7
79.05460	0.6
81.03396	0.7
81.07011	1.4
82.06545	0.6
84.04463	1.5
84.08148	7.8
85.02852	1.6
86.06055	1.0
86.09709	6.2
87.04460	0.7
88.03956	0.7
91.05437	1.2
93.06993	1.1
95.04945	0.6
95.08582	0.8
96.08092	1.5
97.02842	1.5
98.06020	0.8
98.09654	1.4
98.22663	0.6
100.07597	1.0
100.31605	0.6
100.32160	0.5
102.05514	0.8
103.05449	0.5
104.05310	0.5
105.07011	0.6
107.04959	0.6
108.08115	7.3
109.02866	0.6
109.06467	0.6
109.10098	0.7
110.07148	1.2
110.09695	2.8
112.08691	0.6
115.08678	0.6
116.07068	0.6
119.04954	0.5
119.08569	0.6
120.08097	9.7
123.08060	0.5
124.85386	0.5
126.08296	0.8
126.09148	10.4
127.03893	1.1
127.09499	0.6
128.10667	1.4
129.10246	2.9
130.04988	0.5
130.06487	0.6
130.08615	0.8
136.07561	2.2
140.05762	0.5
144.10193	41.5
147.11282	0.6
157.13318	0.5
163.03891	0.7
183.11278	0.5
187.10762	0.6
201.12265	1.1
205.09694	0.4
210.18539	0.9
213.12338	1.5
234.12534	0.5
235.10699	0.4
248.19984	0.5
254.21080	0.8
256.09232	0.5
262.14853	0.5
267.13458	0.4
268.22736	0.5
278.21060	1.8
296.22192	5.5
314.23245	16.9
314.26889	1.0
315.23544	1.0
332.24292	100.0
333.24588	4.9
371.34592	0.5
458.27118	0.5
476.28635	0.6
494.29584	89.6
495.29980	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	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
56.05039	0.7
57.03426	0.3
57.07081	0.2
58.06631	0.4
59.07388	0.2
60.08163	5.8
67.05499	0.3
69.07069	0.7
70.06591	0.3
71.07372	3.3
79.05489	0.1
79.94988	0.1
81.07040	0.3
83.08598	0.3
86.09705	31.4
87.10025	0.5
88.07626	0.1
93.07052	0.2
95.08608	0.3
97.10188	0.2
98.98464	3.6
98.99120	0.2
104.10742	3.0
107.60058	0.1
121.10125	0.2
125.00002	22.8
126.00320	0.1
133.12488	0.1
143.01041	0.2
147.86441	0.1
149.02315	0.6
172.89822	0.1
184.07338	100.0
185.07664	1.8
193.04927	0.4
193.53038	0.1
237.07562	0.5
258.11014	0.3
282.18243	0.1
284.29477	0.4
311.25790	0.2
476.31335	0.9
494.32571	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	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11734	0.2
55.05515	1.0
56.05039	0.9
57.03430	0.4
57.07071	0.3
58.06583	0.9
59.07386	0.2
60.08167	11.4
61.32556	0.2
67.05495	0.8
69.07069	1.4
70.06588	0.2
70.34474	0.2
70.34806	0.4
71.07378	5.1
76.49052	0.2
79.05482	0.4
81.07095	0.9
81.07473	0.2
83.08618	0.5
86.09710	41.7
87.10011	0.2
91.91959	0.2
93.07058	0.5
95.08598	0.8
97.10178	0.5
98.98466	4.6
99.56470	0.2
104.10747	41.4
105.11089	0.8
107.08595	0.3
109.10154	0.4
119.14351	0.2
121.10111	0.4
125.00007	24.9
135.11662	0.3
143.01065	0.3
149.02339	0.4
181.02585	0.3
184.07347	100.0
185.07716	1.5
193.05063	0.3
237.07596	0.4
258.11090	0.8
273.14594	0.2
284.29489	0.2
311.25778	0.6
417.24246	0.4
476.31409	3.7
477.31784	0.4
494.32446	8.2
495.33368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31631	0.4
55.05516	2.2
56.05040	1.0
58.06609	1.4
58.83770	0.4
60.08170	17.3
65.08731	0.4
67.05515	1.8
69.07071	2.1
70.06592	0.9
71.07381	7.1
71.29744	0.5
73.93992	0.4
79.05498	0.6
81.07070	1.7
83.08623	1.0
86.09711	54.8
87.10034	0.6
93.07005	0.6
95.08601	1.2
98.98473	4.2
104.10751	99.2
105.11079	1.6
121.10152	0.8
125.00015	31.0
130.98665	0.6
135.11678	1.1
163.01503	0.6
181.02544	0.6
184.07359	100.0
185.07733	1.3
193.05017	0.7
258.11053	0.9
311.25824	0.8
333.68939	0.5
476.31415	5.8
477.31439	1.0
494.32401	18.8
495.32733	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	495.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01875	2.1
57.03446	5.0
61.02929	9.3
63.96760	0.8
67.81672	1.0
69.03428	15.9
70.06597	9.4
70.62471	2.7
71.04987	2.6
72.08169	1.0
73.02916	4.7
81.03423	7.8
84.04514	1.2
84.08146	3.4
85.02908	100.0
86.03275	1.6
86.09707	1.2
87.04453	2.1
91.03940	5.0
97.02898	28.6
99.04471	3.7
109.02885	13.3
110.07169	6.1
115.03950	1.2
120.08105	1.8
127.03921	33.8
129.10243	1.2
136.03963	5.0
136.07603	1.1
141.44272	1.0
145.04964	54.8
146.05304	1.1
154.05003	3.2
163.06010	20.2
180.08676	1.8
190.33151	0.9
229.15565	1.4
231.09709	2.5
235.08922	1.0
267.10800	1.4
298.09094	1.0
316.10236	2.8
325.96609	0.8
495.14404	1.7
495.25436	1.7
502.45026	0.8
510.04071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10503	0.9
53.03935	2.1
55.01879	3.1
56.05034	3.2
57.03455	6.2
58.06606	0.8
60.04527	1.6
61.02932	8.4
69.03432	16.9
69.07098	1.0
70.02950	0.9
70.06594	23.8
70.23744	1.0
71.05000	2.0
71.06939	1.7
71.29070	1.0
72.08158	8.5
73.02918	4.2
74.06084	2.0
74.84026	1.0
81.03414	8.7
83.06116	2.8
84.04516	6.6
84.08148	11.5
85.02907	100.0
85.08499	1.4
86.03255	1.4
86.09704	9.2
87.04458	1.6
87.05604	1.5
88.03988	1.1
91.03957	6.5
91.05499	1.3
95.06059	1.1
97.02894	29.0
98.03251	0.9
99.04458	4.1
102.05578	2.3
109.02885	12.9
109.92561	0.8
110.07175	11.2
112.07601	1.6
113.07155	1.3
115.03965	1.1
115.08646	1.0
116.07143	1.8
118.63423	0.9
118.85802	1.0
120.08102	9.8
127.03923	34.0
127.08705	1.3
127.87493	0.8
128.10756	1.1
129.10243	6.6
130.04987	1.7
136.03964	3.9
136.07562	5.0
137.05978	2.6
145.04968	52.4
145.05949	1.9
146.05287	1.5
154.05005	3.2
155.08167	1.9
156.07748	2.1
163.03947	1.6
163.06024	18.2
166.06059	1.5
221.10434	1.4
229.15544	3.0
249.09834	2.2
267.10876	2.6
280.08347	1.0
316.10184	1.9
333.24258	1.1
349.36084	0.9
380.19180	1.2
395.01514	1.0
434.54819	0.9
458.17139	0.9
458.59003	0.9
495.30545	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	495.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
55.01878	1.8
55.05509	4.2
57.03436	1.6
58.90496	1.0
65.03944	3.1
67.05497	5.9
69.03424	14.8
69.07069	2.3
70.06582	7.0
71.04987	3.1
71.15506	1.7
72.08149	4.7
74.06083	1.1
79.05490	14.1
81.03417	9.2
81.07049	6.7
83.01302	1.2
83.04980	15.2
84.04539	1.7
84.08138	2.6
85.02905	42.0
85.35061	1.1
86.09708	10.3
88.75983	1.0
91.04902	1.4
91.05476	28.7
91.06013	1.9
93.07043	23.5
93.60986	0.9
94.11625	1.0
94.42000	0.9
95.04971	6.8
95.08622	9.8
95.09184	1.3
97.02898	9.2
97.06527	10.8
99.04446	14.0
102.05595	1.5
103.03947	9.0
103.05479	1.8
105.07029	19.9
105.07681	1.8
107.04954	2.1
107.08593	100.0
108.08933	3.1
108.29892	1.2
109.02879	25.5
109.06517	9.0
109.10125	1.3
110.07166	2.9
111.04487	1.6
111.08070	2.3
115.05466	1.5
116.06252	2.3
117.06990	2.5
119.06089	1.4
119.08596	9.2
120.08122	11.0
121.06493	8.9
121.08453	2.5
121.10134	14.5
123.04445	1.5
123.08097	2.6
123.11763	5.0
125.05958	1.6
127.03914	27.8
127.07577	3.4
129.07010	2.6
129.10179	1.1
131.08568	85.5
132.08937	2.3
133.10143	3.0
135.04451	1.4
135.08049	2.5
136.07600	1.2
137.06036	1.3
137.09648	6.4
143.08533	2.8
145.04968	11.0
145.06076	1.6
145.06445	1.5
145.10101	6.0
146.14764	1.1
147.08047	4.9
147.11678	20.3
149.09613	22.4
150.09966	1.0
151.07576	1.5
153.05531	1.7
156.09344	1.5
157.10138	1.5
159.11681	2.4
161.09602	3.3
161.13219	3.2
163.07549	1.5
163.11211	1.8
165.09172	2.0
165.12785	3.2
165.17897	1.1
169.04935	1.6
169.10236	1.2
171.11711	3.4
175.07458	1.0
177.12805	1.5
183.11649	1.5
187.06082	2.1
187.11243	1.6
189.08984	1.5
189.12746	41.8
190.13065	1.4
191.10699	2.0
201.12621	1.4
207.13814	25.2
209.08118	1.5
213.12669	1.1
215.10805	1.7
217.08237	1.4
229.12151	1.5
229.18010	1.3
231.13873	1.6
233.11682	1.9
235.06017	1.5
253.07082	2.6
257.11731	1.7
264.04251	1.4
267.15991	1.7
271.08145	3.6
275.12802	1.6
293.13745	2.6
315.16083	1.8
325.07144	1.6
351.17999	8.0
433.22287	3.0
459.20096	2.9
477.21292	1.5
495.20926	1.3
495.27972	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	495.2356
Annotation	Scortechinone D
Peak:m/z	Relative Intensity
55.75683	7.0
67.05524	7.8
73.06216	7.3
81.07039	9.5
95.08585	12.2
114.74503	8.8
175.21388	8.4
207.21045	9.7
268.40561	8.0
333.17612	26.7
347.58557	8.3
348.08093	8.2
495.23495	100.0
495.40967	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	495.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17266	0.4
70.06545	0.4
70.45130	1.0
100.56326	0.4
106.99747	0.4
166.98369	0.4
185.04228	1.3
315.96661	0.4
333.20352	100.0
334.20685	6.1
351.19885	0.5
495.25650	60.0
496.25995	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	495.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50600	0.6
52.04822	0.6
55.05499	0.7
67.05473	0.8
69.07034	0.8
69.48894	3.4
81.07033	1.0
100.56291	0.6
103.88735	0.6
109.10130	1.0
111.08091	0.5
145.86246	0.6
156.78311	0.6
183.65915	0.6
185.04167	2.8
247.13000	1.4
248.78995	0.7
315.19318	2.5
333.20337	100.0
334.20593	5.7
441.30099	0.6
495.25610	73.7
496.25870	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	496.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	3.6
58.06603	0.8
60.04520	1.3
64.85897	0.6
68.05048	0.6
70.06593	77.6
71.06946	0.9
72.08159	3.9
74.02433	1.3
74.06091	1.4
81.04546	2.2
82.05311	4.6
83.06104	12.8
84.04520	1.8
84.08158	3.9
85.04032	0.7
86.09212	0.9
86.09706	9.2
87.05615	0.9
91.05463	0.7
93.04530	9.1
95.06086	1.6
97.07652	3.5
98.06023	0.9
110.07163	100.0
111.07495	1.1
112.08716	1.0
116.07101	0.7
119.04945	0.8
120.08089	3.6
121.03974	2.6
122.07155	0.8
125.07118	19.3
129.10225	2.2
130.06509	6.8
132.08102	4.3
136.07565	5.3
137.07065	2.2
138.06641	2.0
141.10240	0.6
144.08081	13.4
149.07079	1.8
151.80232	0.6
152.08142	1.1
154.09740	1.4
155.08188	0.6
156.07674	3.6
159.09177	16.7
162.10242	4.3
163.03995	0.8
164.08200	0.8
166.06161	2.7
170.06001	5.0
173.12869	1.8
182.08174	0.6
183.06564	0.6
183.11136	0.6
187.08685	0.6
188.06956	0.8
200.13884	1.2
201.12393	0.9
203.08110	2.0
207.12373	2.2
211.12256	1.8
217.10834	6.2
228.13358	0.8
234.13605	4.2
235.11897	59.0
236.12119	2.4
245.09222	17.3
246.13506	3.6
251.14882	0.7
256.11942	1.1
256.14426	8.4
262.11890	5.5
269.16113	1.4
274.12961	31.2
278.11398	0.9
284.13947	6.9
286.12909	3.9
296.12701	0.7
333.24374	0.9
346.50519	0.6
359.12903	1.2
359.17102	17.1
360.17349	1.4
367.14740	0.7
403.18753	17.6
421.19586	0.8
478.21973	53.3
479.22073	4.3
496.22562	7.8
496.28809	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	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28151	1.6
55.05518	2.7
56.51109	1.7
57.03451	2.4
61.02916	2.9
69.03438	6.2
69.07059	2.8
70.06591	8.8
73.02885	2.0
79.05498	5.8
81.07059	100.0
82.07394	2.7
84.08160	4.9
85.02908	55.5
85.24208	1.9
86.09739	2.6
91.03984	2.7
95.08621	5.5
97.02893	11.3
100.11267	11.0
109.02887	4.9
118.06883	1.9
123.04465	2.6
127.03899	11.9
128.07120	1.9
128.10661	2.3
129.10252	2.9
137.13277	32.0
145.04964	32.7
163.06032	15.9
182.15427	5.3
209.16507	2.7
210.14908	4.0
211.82896	1.7
222.22337	2.1
325.11298	4.4
346.27344	4.5
354.85422	2.1
364.28406	3.6
411.36948	2.6
423.84088	5.0
496.32730	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24736	14.6
53.31546	17.4
68.31580	15.7
69.03417	27.4
69.68892	31.8
69.69266	32.9
70.06611	100.0
72.08154	13.9
75.87884	13.8
84.08134	17.9
85.88698	15.3
86.09696	39.3
87.04487	20.5
95.08609	40.8
107.08636	29.3
110.07197	20.9
115.03945	35.7
120.08105	22.2
121.10139	30.5
130.95157	16.7
133.04953	30.9
149.13255	43.0
151.14896	27.2
168.46928	16.9
177.73396	15.4
191.52182	16.5
194.57933	16.2
199.73952	15.9
214.26187	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75571	7.3
53.00893	7.0
66.37584	7.3
69.12130	66.4
70.06583	28.7
72.08155	10.3
72.60912	7.2
79.05527	11.4
81.07052	100.0
85.02915	62.3
89.85616	7.3
95.08602	22.6
97.02924	8.9
101.82925	8.0
110.07117	13.0
127.03972	16.6
129.10281	9.0
137.13260	15.5
137.73682	7.5
144.24843	7.7
145.04948	28.1
163.06044	17.7
218.49318	7.4
245.84341	8.1
489.79144	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	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12232	1.1
53.03944	4.6
55.05501	1.4
57.03432	1.5
61.02925	2.2
67.49328	1.1
69.03436	10.6
69.07063	2.4
69.50488	6.5
70.06592	4.5
71.05012	3.8
71.08624	24.7
73.02920	3.4
80.15305	1.1
81.03415	14.4
81.07069	2.0
84.08167	2.1
85.02901	80.7
86.03284	1.1
86.09737	2.1
93.07013	1.8
97.02883	23.5
99.04453	42.1
99.08089	43.4
103.03934	100.0
109.02875	15.4
110.07162	1.3
127.03913	91.6
129.12804	3.3
145.04950	64.1
163.06007	60.8
169.04869	1.2
173.15369	20.6
173.47050	1.3
175.22153	1.4
187.06050	5.0
198.09532	1.2
205.07057	5.0
231.05774	1.3
271.08209	5.3
289.09192	4.4
307.10251	12.6
456.98441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67231	0.3
55.05506	0.6
56.05033	1.3
57.03436	4.5
58.06601	3.8
61.02912	0.6
67.05496	1.6
69.03421	0.7
69.07066	0.5
69.58267	1.3
70.06595	2.1
71.07372	1.2
72.08153	0.9
73.02921	8.2
73.34372	0.3
81.07063	1.5
81.53443	0.3
82.06562	0.4
83.72348	0.4
84.08150	7.2
85.02911	1.6
88.07642	0.8
93.07045	0.4
94.62313	0.3
95.04985	0.4
95.08614	1.0
96.08128	2.8
97.08936	0.5
98.09698	0.7
108.08106	0.5
109.10162	0.8
110.09676	5.2
111.10485	4.0
112.11255	1.2
114.09178	0.9
115.03917	0.4
123.04429	10.8
128.10721	13.7
136.89449	0.4
137.06041	0.4
138.12798	0.8
138.48430	0.4
147.04369	0.4
152.14375	0.8
163.07417	0.4
166.15961	0.6
180.70029	0.3
181.34709	0.3
194.19025	0.5
208.20657	1.0
222.22165	8.5
223.22466	0.5
240.23245	1.9
257.15753	0.4
292.22839	0.5
323.00626	0.4
345.26718	0.8
346.27411	19.1
347.27850	1.2
364.28445	23.6
365.28833	1.6
478.16373	0.4
478.31613	9.3
479.31952	0.9
496.32690	100.0
497.33011	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	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86627	0.6
56.05023	1.7
57.07075	3.7
58.06596	1.7
58.31051	0.5
60.08162	16.5
63.98851	0.5
67.05485	0.9
69.07069	0.5
69.40558	1.2
69.40961	2.0
71.07371	7.3
71.08617	2.0
79.02998	0.6
81.07062	1.0
83.15110	0.5
85.10162	0.6
86.09705	51.4
95.08614	1.4
95.11919	0.5
98.98470	4.3
104.10742	100.0
105.11048	1.3
125.00002	29.0
125.43391	0.5
128.49452	0.4
163.01543	0.6
164.28165	0.6
177.98146	0.6
184.07341	93.1
185.07617	1.1
258.11005	0.8
313.27280	1.6
478.32910	8.6
496.33960	20.0
497.34473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55366	0.1
56.05045	0.6
57.03445	0.3
57.07078	0.7
58.06629	0.5
60.08167	6.5
67.05495	0.1
69.04499	0.9
70.06599	0.2
71.07375	3.4
71.08633	0.4
80.98734	0.1
81.07032	0.2
85.10190	0.3
86.09709	33.0
87.10042	0.4
89.06001	0.1
95.08598	0.3
98.98466	3.5
104.10746	2.9
125.00008	23.3
143.01106	0.2
182.51997	0.1
184.07349	100.0
185.07695	1.3
243.32924	0.1
258.11154	0.1
290.95959	0.1
313.27313	0.3
414.24216	0.1
478.32901	0.7
496.33954	1.3
497.33829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44973	3.4
54.63325	2.9
57.07082	16.9
63.54620	2.9
71.08630	13.8
71.22571	6.2
81.71407	2.9
85.10188	5.8
87.04498	3.6
89.06031	100.0
104.10706	3.3
124.93764	5.1
133.08597	52.0
177.11183	18.1
184.07292	5.7
232.08363	3.3
236.65399	3.3
257.05792	3.4
283.17447	37.9
479.39709	4.3
496.25491	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	497.1424
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
50.13308	3.3
51.46747	3.3
57.80893	3.9
70.06603	9.3
71.14896	7.0
74.13428	3.7
84.08144	7.1
87.75794	3.4
88.69599	3.9
98.97598	16.9
104.03117	4.2
104.26820	5.6
105.42683	3.9
107.04960	65.4
116.98647	14.4
128.03096	4.6
134.99619	3.8
158.99571	5.1
161.01297	4.3
219.01738	11.2
223.02827	4.3
229.04742	16.1
237.02783	12.5
257.50198	4.4
261.02921	6.6
279.03827	6.9
337.10318	4.2
339.75189	3.9
349.08127	14.4
391.09747	6.4
497.14120	100.0
498.15131	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	497.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.5
59.28708	0.4
60.22358	0.3
61.32448	0.4
65.58105	0.3
67.01584	0.3
69.29204	0.3
70.06596	3.5
70.89336	0.6
81.07009	0.9
83.04971	0.4
84.08097	1.4
86.09644	0.7
93.07022	0.6
101.07214	0.6
101.07821	0.5
105.07017	0.5
107.08592	0.7
109.10115	0.8
110.07131	0.6
118.06859	0.9
120.08118	0.5
129.10188	1.0
138.75693	0.4
182.15514	0.5
205.72823	0.4
221.74435	0.4
250.05266	0.4
335.18280	100.0
336.18597	5.6
497.23615	60.5
498.24014	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	497.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
54.03858	0.6
55.05510	3.3
57.03408	0.8
57.67413	0.6
58.19496	0.5
65.03933	0.6
67.05504	4.5
69.03429	10.4
69.07066	2.2
69.28883	3.1
70.06593	9.7
71.04985	1.3
72.08132	1.8
77.03918	0.8
79.05489	11.5
81.03404	2.9
81.07050	12.5
83.04613	0.7
83.04993	6.0
83.08633	0.9
84.08144	4.4
85.02903	11.5
85.06540	1.3
86.09688	1.6
91.05479	9.1
93.07041	6.5
95.04968	2.2
95.08602	3.3
97.02898	3.0
97.06512	1.3
98.23351	1.3
99.04456	7.7
100.11282	1.2
103.03941	13.0
105.07037	10.9
107.04954	8.5
107.08593	31.3
109.02869	5.0
109.06524	4.0
109.10155	8.3
110.07155	1.7
111.04465	0.6
111.08103	0.8
115.05453	2.4
117.07006	2.8
118.06917	2.9
118.07736	0.8
119.06097	1.0
119.08575	4.3
120.08095	1.8
121.06527	3.5
121.10143	13.2
122.07280	6.5
123.08058	2.2
124.99963	0.6
127.03913	18.0
129.10233	2.3
131.08556	4.6
133.10126	89.0
134.10457	2.7
135.08049	7.7
135.11674	1.4
137.09613	51.4
138.09970	1.4
143.08592	0.9
145.04953	9.7
145.10129	2.2
147.11720	3.6
149.09657	3.1
149.13249	10.5
158.10881	1.9
159.09195	1.1
163.06073	4.6
163.07285	1.1
163.14828	1.8
173.13251	7.0
187.06030	2.2
191.14305	100.0
192.14639	3.8
205.07028	1.2
205.28693	0.5
215.87627	0.6
271.08215	1.4
289.09192	1.1
335.18533	0.8
353.19571	1.6
423.37631	0.6
456.43689	0.6
497.26987	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	497.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	0.3
69.41053	1.7
70.06596	3.0
72.08112	0.5
81.07005	0.8
84.08092	1.2
85.02836	0.3
95.08546	0.5
98.23376	0.6
101.08164	0.5
110.07120	0.7
118.06821	0.8
129.10196	0.8
133.10139	0.5
159.09172	0.4
185.04233	1.4
214.18059	0.3
249.10397	0.3
250.70862	0.4
274.12268	0.3
317.03119	0.3
335.21912	100.0
336.22247	5.6
409.93246	0.3
497.27228	70.0
498.27612	5.2
498.34308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27231	0.4
66.51309	0.4
67.13297	0.3
69.47829	1.8
70.06586	1.8
73.89919	0.3
84.08095	0.9
92.16341	0.3
101.08158	0.6
155.90985	0.3
185.04140	1.0
207.82860	0.3
335.21890	100.0
336.22195	4.9
357.52713	0.4
377.51358	0.4
397.97253	0.4
443.85275	0.4
497.27173	63.4
498.27618	4.1
498.34268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.4
58.01686	1.2
58.09381	1.2
70.06594	7.7
71.30660	1.2
72.08152	1.2
72.93694	1.0
72.94106	0.9
81.07049	2.6
84.08149	2.8
93.07055	1.1
107.08607	1.4
110.07143	1.2
118.06886	1.7
119.08600	1.4
129.10283	2.5
143.29829	1.1
185.04204	2.2
210.94315	1.0
317.20901	1.4
320.88162	1.1
334.20572	1.4
335.21902	100.0
336.22296	4.6
497.27197	77.0
498.27292	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	497.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
57.03428	0.6
58.38578	0.6
67.05489	1.0
70.06578	1.2
71.30704	0.9
72.08176	0.8
74.52872	0.7
81.07063	1.4
81.37608	0.6
83.04957	0.8
86.09705	0.8
93.07059	0.7
95.08615	1.2
96.01875	2.1
105.07071	0.6
109.10193	0.6
115.88741	0.6
119.08516	0.7
128.90706	0.6
145.10109	0.7
166.63043	0.7
169.04770	2.2
255.17386	0.7
317.17398	0.7
325.19873	0.9
409.22015	6.6
435.39703	0.6
436.19101	1.1
443.20294	0.7
463.30280	100.0
464.30646	9.0
479.29736	25.2
480.30008	2.2
497.35886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.9
54.18453	8.6
55.05512	16.7
57.03429	25.7
61.02928	56.5
67.05508	86.2
69.03433	44.4
69.07079	19.1
69.48814	28.2
69.49213	16.5
73.02922	33.6
79.05486	63.0
81.03410	20.9
81.07056	100.0
83.04978	14.0
83.08633	8.0
83.12063	7.7
85.02914	65.8
90.59811	6.7
91.03955	39.8
91.05477	37.9
93.07072	66.9
95.04975	13.1
95.08601	67.9
97.02901	62.0
97.06541	10.7
98.22584	8.5
99.04491	16.4
101.02377	12.8
103.03963	12.5
105.07027	25.6
107.08599	34.5
109.02819	9.7
109.10134	35.5
115.03981	8.0
117.07012	15.2
119.08591	28.5
119.66515	6.4
121.10152	27.2
123.08046	8.1
127.03896	23.4
131.08563	22.2
133.10139	20.9
135.11700	17.9
145.10088	13.1
147.11662	12.5
149.13223	13.6
159.11691	9.4
161.13261	8.0
173.13258	11.7
261.22250	22.1
266.22269	7.0
335.25867	64.1
497.30698	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01871	3.7
55.05509	51.3
57.03437	5.6
57.06791	3.6
57.07075	63.0
59.05000	1.8
60.96512	1.7
65.03944	2.1
67.05499	38.8
67.05836	2.5
69.07066	58.1
69.99734	6.2
71.04990	6.4
71.08237	3.1
71.08632	49.9
73.06557	2.1
79.05483	12.1
81.07053	55.0
83.04974	3.0
83.08620	73.6
84.08931	1.6
85.06540	5.8
85.10181	28.4
89.06033	5.9
91.05476	2.8
93.07037	26.0
95.08604	47.1
97.06530	16.5
97.10165	25.1
97.10767	2.3
98.23201	3.3
99.11744	2.8
101.06078	3.0
107.08600	20.3
107.15800	1.7
109.10160	35.4
109.10906	2.2
111.08054	10.9
111.11727	3.7
115.07603	3.2
115.79840	2.0
121.10165	10.4
123.11713	13.3
125.09665	4.6
125.13279	6.5
137.13284	6.4
149.13254	49.0
167.14313	40.1
168.14597	1.9
185.15353	13.6
195.95992	1.9
221.22543	2.0
228.05391	1.7
239.23700	33.9
241.17966	32.6
243.17970	1.8
257.24719	2.9
313.27374	7.6
497.42017	100.0
498.42337	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	498.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06123	0.3
61.94818	0.4
63.04916	0.4
69.23919	1.4
69.24347	1.6
70.06594	13.9
70.20614	0.4
71.67729	0.4
72.08142	0.4
75.22429	0.3
83.01099	0.6
84.04514	0.6
84.08150	0.5
85.02933	0.4
86.09703	1.0
95.73365	0.4
96.04497	0.4
98.06129	0.7
98.23383	0.8
109.02840	0.4
110.07172	1.4
112.07607	13.9
113.02126	0.6
120.08079	0.5
122.74944	0.4
126.05527	0.5
129.10301	0.7
138.05536	1.7
140.07069	10.7
144.06644	0.5
153.44128	0.5
157.09731	2.4
163.00711	0.4
177.56093	0.4
184.05815	0.6
208.05804	2.8
226.06888	6.2
240.13466	0.7
241.05331	0.4
268.12973	1.8
279.09503	2.2
298.08957	38.2
299.09323	1.6
323.12125	18.5
324.12537	1.1
325.15176	0.5
351.11655	6.0
351.16611	4.0
368.14374	0.5
369.12683	30.8
370.12985	1.4
452.16312	2.4
480.15427	0.5
498.16913	100.0
499.17191	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	498.2311
Annotation	His Asn Ile Asp
Peak:m/z	Relative Intensity
50.76432	0.3
58.93964	0.3
67.05472	0.5
70.06593	4.0
70.98308	0.4
71.30461	0.3
71.85782	0.3
72.08157	3.4
81.07061	0.6
84.04533	0.3
84.08118	1.7
84.54813	0.3
85.02883	0.4
86.09720	0.7
93.07040	0.5
95.08578	0.6
103.89516	0.3
112.08733	0.5
118.06850	0.4
119.08558	0.5
120.08138	0.4
128.94722	0.3
129.10258	0.6
135.08104	0.4
138.49142	0.3
169.10205	0.5
203.05295	0.9
210.14929	0.3
259.07910	0.7
269.17239	0.7
285.70554	0.4
309.16583	0.4
336.17883	0.9
339.09113	0.3
347.44965	0.4
437.28271	0.3
446.94397	0.4
471.21994	5.0
472.22076	0.5
498.23074	100.0
499.23328	8.1
499.30057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	4.9
56.27423	2.8
63.70107	3.0
67.05502	4.4
69.03431	17.0
71.28992	3.9
74.16673	3.1
80.05019	3.3
81.03428	4.2
81.07045	7.7
81.62016	3.8
83.04984	9.4
91.05477	5.1
93.07047	5.4
95.08622	5.9
103.53024	2.9
105.07040	5.0
106.02946	4.9
108.01852	2.9
111.04459	15.8
119.08607	6.8
124.03963	100.0
131.08580	9.0
133.10115	4.4
143.08505	3.8
145.10109	7.5
157.10158	6.2
159.11729	8.6
164.92041	3.4
169.10178	3.9
171.11742	5.0
177.16400	3.7
181.10257	3.7
187.11057	3.3
187.14847	10.9
205.15909	8.1
211.14893	6.2
256.26242	3.1
297.18597	4.1
328.19034	4.4
348.56271	3.3
410.13943	2.9
475.92459	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	498.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48125	0.8
53.03944	0.9
55.05496	2.7
57.07082	1.4
58.06588	0.8
63.30104	0.7
65.40807	0.7
65.78336	0.7
67.05502	6.2
69.03433	1.2
69.07068	2.5
70.06590	1.4
71.04978	1.5
71.30479	0.9
72.08161	0.9
78.03452	11.0
79.05493	3.0
81.07061	5.8
81.18819	0.9
83.04984	3.0
83.08643	1.0
85.63239	0.8
86.82775	0.7
91.05490	5.0
93.07049	4.6
95.04961	2.0
95.08614	4.7
96.04496	2.9
97.02892	3.5
97.06519	1.3
105.07036	9.2
106.02917	28.7
107.04968	0.9
107.08600	6.4
109.06516	1.9
109.10168	1.0
111.04449	2.2
117.06996	1.6
119.08575	16.1
121.06528	1.1
121.10129	4.5
123.04387	1.1
124.03953	31.8
129.07002	1.6
131.08557	2.8
133.10150	5.7
135.07985	1.6
135.11688	1.7
137.09596	1.3
139.07529	1.0
141.18172	0.8
142.07747	1.9
143.08553	4.7
144.09351	0.9
145.10112	5.6
147.11679	12.0
149.09610	1.2
155.07042	1.2
155.08505	1.6
156.09328	2.6
157.10126	6.1
158.10899	0.8
159.11699	6.5
161.09625	1.3
161.13268	3.6
163.11234	1.1
169.10130	3.0
170.10931	2.4
171.11671	8.1
173.09666	0.9
173.13255	4.7
175.11240	1.2
175.14781	2.4
177.12665	0.8
179.08676	0.9
181.10074	2.0
183.11676	1.9
184.07277	0.8
184.12483	2.6
185.09654	1.0
185.13293	5.3
185.92296	0.8
186.14091	1.3
187.14896	2.6
189.12743	1.8
193.10297	1.1
194.10936	0.9
195.10208	1.0
195.11723	5.2
197.13287	2.9
199.14810	7.6
201.16423	1.1
203.14354	3.5
204.15173	1.3
205.15878	1.6
207.11781	0.9
208.12512	1.3
209.13260	3.9
211.14830	1.6
217.03680	0.8
220.12315	0.9
222.14091	1.1
223.14813	1.9
227.18040	1.6
235.14809	1.5
237.16426	6.4
241.12154	1.0
251.18141	1.3
255.17458	2.3
297.18484	3.0
315.19543	24.3
316.19928	2.2
438.22678	2.4
455.21442	0.9
463.30576	1.4
464.30615	9.3
480.30051	1.7
483.05936	0.8
498.24866	100.0
499.25055	10.4
499.32312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.9
62.34499	0.6
62.98265	9.3
69.07066	0.7
69.96257	1.2
71.08614	1.1
75.04481	0.7
81.07024	1.0
88.03956	2.7
91.72646	0.6
98.98444	1.4
100.68649	0.6
106.04984	1.5
107.96471	0.7
108.21967	0.8
124.93778	35.0
125.95123	0.7
130.18033	0.6
142.94820	4.4
155.00977	1.0
167.97989	37.3
176.24153	0.6
180.96434	1.3
184.07434	1.0
185.99080	3.6
198.29140	0.6
198.97452	1.2
205.52699	0.6
236.14926	2.3
257.82434	0.7
313.27438	5.6
437.20435	100.0
438.20746	7.1
455.21597	2.2
498.25696	63.8
498.37622	2.3
499.26031	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05516	0.7
56.05038	1.1
57.03444	1.4
58.06602	4.7
58.94229	0.3
61.02927	1.4
67.05516	1.6
69.00694	2.3
69.03430	3.7
69.07066	0.6
70.06592	2.4
71.04979	0.3
71.07370	1.2
72.08151	1.9
72.15948	0.3
73.02911	1.5
79.05481	0.5
81.03426	1.1
81.07054	1.4
82.06574	0.4
84.08146	8.2
85.02906	5.4
86.09713	0.7
87.04476	1.6
88.07659	0.4
93.07021	0.4
95.04948	0.7
95.08622	1.2
96.08125	3.0
97.02885	2.4
97.08932	1.1
98.09689	0.5
99.04477	1.0
109.02899	0.6
109.10136	0.6
110.09681	5.6
111.10462	4.3
112.11286	1.3
114.09182	1.1
123.04432	12.9
124.11232	2.9
125.12003	0.3
127.03948	1.0
128.10719	14.7
129.11075	0.3
137.05963	0.5
138.12791	1.2
145.04935	0.5
147.04498	0.4
149.06007	0.4
152.14354	1.1
163.07617	0.6
180.17494	0.7
182.88622	0.3
194.19046	8.8
195.19447	0.5
212.20055	1.7
313.52631	0.2
317.23544	1.0
318.24274	21.9
319.24625	1.0
334.23541	0.3
336.25327	20.5
337.25644	1.3
360.25455	0.4
378.26346	0.4
459.30649	0.3
480.29556	9.3
481.29880	1.0
498.30606	100.0
499.22998	0.4
499.30936	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	498.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
57.03442	6.6
57.07089	2.8
58.06601	28.8
59.07382	9.6
60.08164	9.4
60.12149	0.4
62.98217	1.7
67.05502	6.8
69.07076	2.4
70.06566	0.7
70.45450	0.4
71.08600	1.5
72.08105	0.4
73.02903	0.7
75.04481	4.6
75.78683	0.4
79.05442	1.4
81.07068	5.5
83.04980	0.5
83.08584	1.2
84.08106	0.7
85.02905	2.3
85.10160	0.8
86.09682	0.8
87.04471	4.7
88.03960	1.3
88.39251	0.5
89.06026	2.1
91.05439	0.8
91.22855	0.4
93.07043	1.0
95.08155	0.3
95.08609	4.1
97.06476	0.7
97.10172	0.7
98.98447	0.9
100.11312	0.5
101.05983	0.7
102.05499	0.5
103.03922	1.0
105.05460	0.9
105.07020	0.8
107.08580	1.2
109.10141	0.9
113.05964	0.6
124.93773	5.4
128.54395	0.4
131.07004	1.8
133.08546	1.2
144.09259	0.6
144.10205	6.3
155.01048	0.6
162.11253	4.3
166.54044	0.4
167.97974	5.9
177.11273	0.6
184.07320	1.9
184.51410	0.5
185.98940	0.9
200.12776	0.7
236.14920	100.0
237.15305	2.6
239.21532	0.5
313.27335	2.0
437.20416	16.1
438.20856	1.3
480.36841	22.5
481.37213	3.0
498.26703	10.5
498.37891	69.1
499.26004	1.0
499.38312	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
57.07077	36.7
64.36409	2.5
69.07085	3.2
69.54710	10.3
70.06572	2.3
71.08624	25.2
72.68008	2.4
73.06544	4.9
74.41435	2.3
83.08591	3.6
85.10177	20.8
86.56810	2.6
87.04440	4.0
89.06036	100.0
97.10143	3.5
98.22677	3.6
99.11688	4.0
101.84112	2.2
106.76893	2.4
107.07101	3.3
117.09096	3.6
133.07631	3.7
133.08611	51.8
155.17944	3.7
165.99762	2.2
177.11218	17.4
199.20552	3.0
221.13885	3.6
243.23154	4.4
283.17526	3.1
287.25671	3.0
327.20276	11.6
470.56439	2.9
481.36905	4.2
498.40958	3.0
513.71100	2.9
514.03015	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2154
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
69.42046	2.0
70.06599	1.8
71.04990	0.3
84.08168	1.0
85.02912	0.6
86.09725	0.7
110.09702	0.7
111.09979	0.3
112.11187	0.3
123.04449	0.8
194.19035	0.7
195.19456	0.5
228.65689	0.4
284.32809	0.3
290.21170	0.5
291.21393	0.8
318.24319	0.8
319.24701	1.8
336.25510	1.0
337.25699	1.8
367.17343	0.5
409.18954	0.4
470.14789	0.4
481.11359	0.4
481.29861	1.0
498.30557	1.4
499.21536	100.0
499.30524	6.1
500.21960	6.0
500.28778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.6
67.18672	0.3
69.03405	0.4
69.07066	0.5
70.06590	4.4
71.06924	0.3
71.30072	0.4
72.08154	2.0
79.05508	0.5
81.07028	0.4
84.04485	0.3
84.08138	0.9
86.09711	2.4
87.10085	0.3
91.05480	0.8
93.07057	1.4
96.08146	0.3
105.07040	0.5
107.08590	0.9
109.10152	0.7
110.07153	0.3
112.08730	0.4
114.09198	0.4
120.08102	2.2
127.03876	0.4
129.10233	0.6
136.07590	1.2
175.14832	0.4
185.04257	0.5
214.57990	0.3
221.42566	0.3
246.54671	0.3
249.98578	0.3
261.02698	0.3
283.07962	0.9
285.06061	0.6
285.09497	0.9
287.07465	1.3
313.32104	0.3
329.08435	1.1
337.16394	0.5
338.26828	0.3
345.07907	2.9
347.09509	3.9
355.17273	2.2
397.18100	0.5
419.20453	0.4
437.21457	6.4
438.21909	0.5
439.19485	2.1
481.20435	5.6
482.20575	0.4
498.33313	0.3
499.21478	100.0
500.21860	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	499.215
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
55.05517	0.4
67.05495	0.6
69.03409	0.4
69.07069	0.4
69.13731	3.0
70.06588	3.2
72.08146	2.4
79.05488	0.8
81.07066	0.5
84.08132	0.7
85.02908	0.8
86.09718	2.6
91.05468	1.0
91.62469	0.4
93.07018	1.5
95.08613	0.5
96.08133	0.5
105.07016	0.8
107.08591	0.8
109.10147	0.4
114.09190	0.4
116.73843	0.3
120.08100	2.1
120.08801	0.3
121.10181	0.5
122.35895	0.3
127.03893	0.5
129.10310	0.4
133.10222	0.4
133.74078	0.3
136.07561	1.0
185.04317	0.5
203.05368	0.4
229.15494	0.6
283.07809	1.0
285.06238	0.5
285.09430	1.3
287.07416	1.0
292.92960	0.4
329.08386	1.0
337.16296	0.6
345.07971	3.3
347.09454	4.1
355.17200	2.7
397.18106	0.7
400.12772	0.4
414.44333	0.4
419.20145	0.7
437.21408	5.8
438.21814	0.4
439.19455	2.0
481.20392	6.3
482.20844	0.4
498.70349	0.4
499.21463	100.0
500.21799	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	499.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.2
55.01873	10.4
55.05509	11.1
56.13568	5.1
57.03441	8.9
62.10305	5.4
67.05495	15.9
69.03439	27.8
69.07077	31.5
70.06176	4.8
70.06587	20.7
70.76221	7.7
71.04983	14.9
72.08141	13.5
73.02907	9.0
79.05495	23.1
81.03426	44.3
81.07052	25.6
83.04985	24.7
84.08147	9.2
85.02906	83.2
85.06588	6.4
86.09708	14.8
90.67790	5.5
91.05505	16.0
92.79619	5.4
93.07043	18.8
95.04971	58.8
95.08612	35.1
96.08149	5.8
97.02879	27.9
98.52133	4.9
99.04452	74.6
99.08085	7.4
100.73512	5.4
103.03947	84.5
105.07032	45.5
107.08601	29.0
109.02879	50.2
109.06516	51.4
109.10151	19.6
110.07086	7.1
111.04433	11.5
111.08068	9.1
113.09599	7.8
114.09183	4.9
115.03903	6.0
117.07021	9.8
119.08577	47.1
120.08107	5.3
121.06477	10.7
121.10139	29.7
123.04441	8.3
123.08091	15.0
123.11697	12.6
127.03919	100.0
129.07016	6.1
131.08577	30.5
133.06485	8.2
133.10146	49.7
135.08083	20.6
135.11699	19.6
137.05986	17.1
137.09583	8.7
142.07753	7.9
143.08578	20.9
145.04955	40.5
145.10101	33.8
147.08066	22.5
147.11691	20.5
149.09659	15.2
149.13319	7.0
151.11206	7.4
155.08585	8.8
156.09305	7.2
157.10156	25.3
158.10954	8.5
159.11670	25.6
161.09601	30.4
161.13261	14.2
163.06013	8.5
168.09453	5.0
169.05025	5.9
171.11678	19.0
173.09587	10.8
173.13255	59.0
174.43930	5.1
175.11234	15.2
175.14854	27.9
177.12878	6.0
179.10768	12.0
183.11568	6.8
185.13280	20.7
187.11127	5.4
187.14845	13.3
189.12755	8.5
189.16388	8.0
191.14357	18.1
193.15944	9.5
197.13251	11.3
199.11096	7.3
199.14844	11.2
203.10609	10.8
203.14297	31.9
205.07121	6.3
205.15921	8.0
207.13904	6.0
213.12804	7.8
213.16510	6.8
215.14319	21.4
217.15860	27.9
221.11670	5.1
221.15268	7.9
223.14919	7.6
225.12837	13.9
225.20192	6.0
227.10715	8.5
229.15900	9.8
233.15326	9.0
235.16959	19.0
241.15892	11.4
243.13911	7.7
247.08125	10.2
247.14612	6.1
247.17003	8.5
259.16937	21.6
265.15933	14.9
277.18008	47.2
283.16907	35.1
301.17996	46.3
319.19034	26.5
337.20309	11.9
355.21231	15.5
356.12329	6.9
441.21201	5.7
445.22183	8.7
463.23349	14.3
481.24536	11.6
499.21176	64.1
499.27081	3.8
500.21912	9.0
500.32108	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32673	0.7
57.33025	0.8
58.26623	0.7
65.98524	0.7
69.56505	4.2
70.06610	1.1
75.49796	0.7
85.60569	0.9
93.07024	1.1
98.23357	1.0
123.42461	0.8
185.04276	1.9
337.23474	100.0
338.23792	7.1
463.31186	0.8
499.28754	92.4
500.29214	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	500.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17247	2.9
56.05000	3.2
57.03438	15.2
57.07059	3.3
58.06591	4.5
65.85751	2.8
67.05508	9.8
69.03091	3.4
69.03429	39.4
69.03841	24.3
69.07056	4.5
70.06597	30.4
71.04996	23.6
71.08635	20.0
72.08151	23.2
79.05510	4.8
81.07092	4.0
83.08624	5.1
84.08132	8.7
85.02907	25.6
86.09696	30.8
87.04456	18.7
91.05496	3.2
93.07062	2.6
94.07379	3.4
95.08572	3.0
96.08106	14.9
97.02893	24.2
99.04431	4.8
99.08097	26.5
105.07012	3.8
107.08594	3.6
109.10146	39.3
114.09172	36.7
115.03922	26.9
115.44411	2.6
115.45454	2.6
117.03400	2.9
120.08128	6.5
124.16005	2.7
127.03928	5.4
127.11201	11.7
129.10263	11.3
129.15591	2.6
133.04962	26.9
136.07523	2.9
137.06020	2.8
145.04988	5.1
145.12230	100.0
150.28351	2.9
155.29019	3.6
159.09186	3.7
171.13748	13.7
177.05383	6.0
189.14862	50.1
207.06494	3.5
270.18134	3.6
299.29889	2.9
302.52924	3.5
338.26770	7.4
347.09430	3.8
397.38107	3.7
405.93747	3.2
482.20618	11.8
500.21753	74.2
500.31967	9.5
501.23276	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3043
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
55.05507	6.6
59.04999	12.2
61.61563	5.6
65.94975	5.1
67.05492	9.8
69.44944	35.5
70.06577	12.3
72.08147	8.5
79.05492	8.4
81.07055	16.6
84.60337	5.4
91.05457	11.7
93.07008	10.3
95.08581	10.9
102.68477	5.9
105.07044	9.2
107.08603	8.8
109.23683	6.2
116.15706	5.7
119.08591	14.3
121.10139	10.9
121.66555	6.1
124.74311	5.9
126.02222	40.6
133.10133	7.5
138.42462	5.6
139.69667	6.3
145.10136	8.7
147.11694	11.4
149.13248	7.6
155.57101	6.8
159.11633	8.4
175.14783	6.6
180.18321	5.9
190.92471	5.8
201.16420	10.8
208.06413	7.2
215.18002	6.5
257.65271	6.1
287.41922	6.2
305.51913	6.8
321.25775	7.8
339.26730	9.4
464.28339	74.9
465.28558	6.7
500.22748	9.2
500.29147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.7
56.05023	3.5
58.06609	24.6
61.55751	2.4
67.05505	23.9
69.03429	4.8
69.07076	5.2
70.06580	12.0
70.44980	4.8
70.45328	3.6
72.08160	8.9
79.05496	20.9
81.03439	2.8
81.07069	15.4
84.08130	20.1
85.02905	17.2
86.09690	3.3
91.05495	10.1
93.07060	15.3
95.04982	3.6
95.08624	12.5
96.08165	2.6
97.02903	3.5
98.09691	4.7
98.22705	3.2
105.07048	7.5
107.08607	6.9
109.10162	5.1
119.08621	4.5
121.10164	4.6
121.89545	2.3
123.11771	2.4
131.08572	4.9
133.10130	4.5
141.00002	2.3
158.97206	2.4
159.11769	4.2
302.28406	27.7
320.29514	57.3
321.29767	4.0
331.87231	2.4
338.19107	3.6
338.30508	100.0
339.30881	5.1
482.34421	2.6
500.24908	2.8
500.35815	36.5
501.36447	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	500.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10007	0.3
53.06648	0.3
55.05510	0.5
55.29747	0.3
56.05034	1.8
57.07069	1.4
59.59681	0.3
63.88868	0.3
64.74705	0.3
67.05497	0.6
69.07069	0.9
69.80897	0.3
70.57311	0.8
71.08646	1.0
74.06087	5.1
81.07052	1.1
82.07382	0.3
83.08641	0.5
84.04495	1.1
85.10199	0.5
86.09708	100.0
87.10052	1.1
95.08626	1.4
97.69554	0.4
102.05521	2.0
109.10168	0.9
120.06576	6.7
130.05017	3.2
143.11800	1.9
147.39009	0.4
152.54128	0.4
187.07135	0.4
211.20659	0.5
215.13925	10.6
215.15921	0.7
227.16217	0.4
230.17035	0.4
233.14940	5.7
268.22729	0.7
272.16031	2.4
360.89444	0.4
464.34592	0.6
482.35938	5.6
483.36581	0.5
500.20169	0.8
501.19675	0.6
501.30347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84684	7.2
55.05513	30.7
57.03441	16.7
57.07077	6.8
59.05009	6.4
67.05509	84.5
69.07076	31.0
69.28883	15.3
69.29295	34.1
71.08645	11.6
74.58153	7.0
81.07072	18.5
83.08623	30.5
86.79856	6.3
95.08624	18.3
97.10170	20.3
103.32097	7.9
109.10153	89.3
119.94241	6.1
133.78650	6.9
137.09660	10.1
155.10742	9.7
173.11717	39.4
219.26967	7.3
226.25896	8.4
229.14355	100.0
229.77641	8.3
283.26361	17.3
311.25845	74.6
358.07150	8.0
465.35788	71.7
500.46606	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	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14921	2.6
55.05514	26.4
57.03431	18.3
57.07070	12.9
57.07325	2.6
59.05011	6.0
63.12759	2.6
65.16706	2.5
66.80879	3.0
67.05508	98.9
69.07069	28.1
69.41811	6.9
69.42222	9.3
71.08637	6.5
79.05494	11.0
81.07059	29.2
83.08617	21.6
85.06544	5.8
85.10197	4.5
86.52847	2.6
91.05502	5.5
93.07050	10.7
95.08595	21.7
97.10179	10.7
107.08580	7.4
109.10156	88.0
111.08160	4.0
111.11693	3.8
119.08549	4.2
121.10159	11.1
127.59623	3.3
135.11716	6.2
155.10640	3.8
171.44386	2.5
173.11729	24.9
173.13028	4.2
213.82784	2.8
229.14360	100.0
237.21983	3.1
283.26288	8.9
311.25806	91.0
311.29303	4.4
312.26151	5.4
465.35782	51.7
500.46979	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	501.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12280	0.1
56.42023	0.1
66.68884	0.1
67.05499	0.2
69.07064	0.3
69.79901	0.2
69.80318	0.5
70.06590	1.0
72.08144	0.6
74.42333	0.1
79.05482	0.2
81.07035	0.2
84.04556	0.2
84.08138	0.4
84.50702	0.1
85.02908	0.2
86.09698	1.5
91.05469	0.1
93.07030	0.2
95.08630	0.2
105.07016	0.2
117.03419	0.2
119.08619	0.1
120.08134	0.2
127.03947	0.1
129.10280	0.2
137.08476	0.1
145.02887	0.3
145.10164	0.1
163.03973	0.2
173.13284	0.3
177.05502	0.7
177.12668	0.1
185.04242	0.3
195.13576	0.3
223.13144	0.1
227.05156	0.2
237.14700	0.1
243.13486	0.2
269.06119	0.1
276.24283	0.1
285.09576	0.3
287.07468	0.2
295.04025	0.1
321.96744	0.1
329.08380	0.5
339.17844	0.3
347.09210	0.1
357.18796	5.6
358.19281	0.3
399.19873	1.7
439.23007	10.9
440.23416	0.8
441.20950	8.8
442.21484	0.6
483.21982	1.0
501.23026	100.0
502.23428	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	501.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33562	0.1
54.00042	0.1
63.51979	0.1
67.05500	0.2
69.03421	0.2
69.12817	0.2
69.13222	0.7
70.06598	0.8
72.08145	0.5
81.07063	0.2
84.08134	0.4
86.09702	0.8
87.86566	0.1
91.05525	0.1
93.07070	0.1
109.10157	0.1
119.53228	0.1
129.10251	0.3
141.47476	0.1
142.22282	0.1
145.02798	0.2
167.03249	0.1
177.05516	0.3
185.04247	0.2
195.13599	0.3
262.70297	0.1
267.08096	0.1
287.07309	0.2
329.08472	0.4
339.17847	0.1
347.09619	0.2
357.14334	0.2
357.18811	4.5
399.19949	1.1
439.23010	10.4
440.23224	0.7
441.20929	7.0
442.21344	0.5
452.23029	0.1
483.22009	0.8
501.23041	100.0
502.23413	6.2
502.30933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64322	0.2
62.89461	0.2
69.52969	1.0
70.06580	0.5
72.08154	0.3
79.57294	0.2
86.09702	0.3
93.83729	0.2
98.22743	0.3
117.34473	0.2
129.10258	0.2
223.22363	0.2
264.77576	0.2
335.09476	0.5
369.18793	1.7
483.21985	2.1
501.23047	100.0
502.23428	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	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05490	1.2
57.03440	0.4
58.06563	0.5
58.75635	0.4
60.05655	3.0
61.07426	0.4
63.83259	0.3
67.05500	0.4
69.03407	0.6
69.07047	1.0
70.06261	0.5
70.06596	7.8
70.77017	0.4
71.29786	0.6
72.08157	13.8
73.27444	0.5
79.05468	0.6
79.46957	0.4
81.03394	0.7
81.07050	1.0
83.04987	0.5
84.04499	0.5
84.08147	3.4
85.02879	1.8
85.06519	0.4
86.09222	0.5
86.09711	7.8
89.03915	1.1
90.04675	0.9
91.05468	1.5
93.07035	1.2
95.04944	0.5
95.08613	0.4
97.02910	0.8
97.07636	1.5
98.06028	1.1
103.05466	4.8
104.06252	2.0
105.03360	0.6
105.07019	1.2
107.04924	1.7
110.06035	0.7
110.07126	0.8
114.09089	0.5
114.10292	9.0
115.08710	2.2
117.03352	2.3
118.04144	1.6
119.04939	0.7
120.08118	3.2
121.06473	1.4
121.10042	0.4
123.04453	0.4
126.77680	0.4
127.03896	0.6
129.10207	2.5
130.04143	0.6
131.04930	16.0
131.12941	4.7
132.05719	19.9
133.02863	2.1
133.06503	0.6
134.03568	0.4
134.05951	0.4
135.04414	1.2
135.08008	0.6
136.07561	0.6
137.05942	0.8
145.02853	2.1
146.03564	0.5
147.04391	0.9
148.05183	1.8
149.05969	2.1
151.07549	0.8
157.10863	3.7
159.04381	1.1
160.05202	12.7
161.02332	0.6
161.05943	1.6
162.06761	1.1
163.03879	3.4
163.07535	3.8
164.04726	0.6
165.05504	2.1
166.08629	0.5
167.07037	6.2
173.06003	0.5
176.04706	1.6
177.05461	16.0
178.06065	0.8
179.03473	0.6
179.07050	5.5
180.07826	8.2
180.09334	0.8
181.05006	0.5
181.08354	0.5
182.09415	0.5
187.03896	2.8
191.07027	20.4
192.07809	88.0
193.08160	2.3
199.03964	1.3
203.11775	0.8
204.10207	1.3
207.04691	0.7
207.06509	5.5
208.07349	1.7
215.08073	0.4
217.05077	0.6
232.09734	0.6
233.05931	0.6
235.07684	0.7
243.11191	0.5
246.12459	0.8
248.43729	0.4
250.06210	0.5
263.07025	0.9
263.15088	1.3
275.07126	0.5
278.05545	0.5
279.06674	0.5
280.07147	0.5
287.10394	0.6
291.14493	1.1
293.08112	0.6
301.12100	0.6
307.09866	0.5
311.09192	0.6
321.07623	1.6
322.27249	0.6
329.11331	1.7
340.28488	1.0
341.10242	1.1
353.10242	4.7
361.13922	1.5
371.11243	8.5
372.11417	0.7
399.91495	0.5
441.20322	0.6
442.18619	1.1
466.30115	0.4
470.19238	1.0
484.20819	3.0
501.23456	100.0
502.23849	7.9
502.33221	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	501.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05490	1.2
57.03440	0.4
58.06563	0.5
58.75635	0.4
60.05655	3.0
61.07426	0.4
63.83259	0.3
67.05500	0.4
69.03407	0.6
69.07047	1.0
70.06261	0.5
70.06596	7.8
70.77017	0.4
71.29786	0.6
72.08157	13.8
73.27444	0.5
79.05468	0.6
79.46957	0.4
81.03394	0.7
81.07050	1.0
83.04987	0.5
84.04499	0.5
84.08147	3.4
85.02879	1.8
85.06519	0.4
86.09222	0.5
86.09711	7.8
89.03915	1.1
90.04675	0.9
91.05468	1.5
93.07035	1.2
95.04944	0.5
95.08613	0.4
97.02910	0.8
97.07636	1.5
98.06028	1.1
103.05466	4.8
104.06252	2.0
105.03360	0.6
105.07019	1.2
107.04924	1.7
110.06035	0.7
110.07126	0.8
114.09089	0.5
114.10292	9.0
115.08710	2.2
117.03352	2.3
118.04144	1.6
119.04939	0.7
120.08118	3.2
121.06473	1.4
121.10042	0.4
123.04453	0.4
126.77680	0.4
127.03896	0.6
129.10207	2.5
130.04143	0.6
131.04930	16.0
131.12941	4.7
132.05719	19.9
133.02863	2.1
133.06503	0.6
134.03568	0.4
134.05951	0.4
135.04414	1.2
135.08008	0.6
136.07561	0.6
137.05942	0.8
145.02853	2.1
146.03564	0.5
147.04391	0.9
148.05183	1.8
149.05969	2.1
151.07549	0.8
157.10863	3.7
159.04381	1.1
160.05202	12.7
161.02332	0.6
161.05943	1.6
162.06761	1.1
163.03879	3.4
163.07535	3.8
164.04726	0.6
165.05504	2.1
166.08629	0.5
167.07037	6.2
173.06003	0.5
176.04706	1.6
177.05461	16.0
178.06065	0.8
179.03473	0.6
179.07050	5.5
180.07826	8.2
180.09334	0.8
181.05006	0.5
181.08354	0.5
182.09415	0.5
187.03896	2.8
191.07027	20.4
192.07809	88.0
193.08160	2.3
199.03964	1.3
203.11775	0.8
204.10207	1.3
207.04691	0.7
207.06509	5.5
208.07349	1.7
215.08073	0.4
217.05077	0.6
232.09734	0.6
233.05931	0.6
235.07684	0.7
243.11191	0.5
246.12459	0.8
248.43729	0.4
250.06210	0.5
263.07025	0.9
263.15088	1.3
275.07126	0.5
278.05545	0.5
279.06674	0.5
280.07147	0.5
287.10394	0.6
291.14493	1.1
293.08112	0.6
301.12100	0.6
307.09866	0.5
311.09192	0.6
321.07623	1.6
322.27249	0.6
329.11331	1.7
340.28488	1.0
341.10242	1.1
353.10242	4.7
361.13922	1.5
371.11243	8.5
372.11417	0.7
399.91495	0.5
441.20322	0.6
442.18619	1.1
466.30115	0.4
470.19238	1.0
484.20819	3.0
501.23456	100.0
502.23849	7.9
502.33221	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	501.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.05020	0.9
59.57449	0.6
60.05648	7.6
65.50265	0.6
69.03430	0.9
69.07076	0.9
69.37225	2.5
69.37639	1.2
70.02973	0.4
70.06592	91.6
71.04992	5.8
71.06915	1.1
72.08154	17.0
76.77542	0.5
79.70155	0.5
84.04498	0.8
84.08146	5.9
85.02898	1.0
85.07661	1.1
86.09705	15.4
87.05598	1.4
87.64597	0.5
88.07625	2.0
95.06079	1.4
97.07650	2.4
98.06043	5.3
110.06035	0.8
110.07185	1.6
112.08728	40.6
113.07201	1.0
113.09092	0.7
115.08691	6.5
116.07169	0.6
120.08111	0.9
124.08634	0.5
127.08635	1.0
129.10271	3.0
129.11188	0.6
133.06093	5.7
135.07950	0.5
138.12766	3.6
140.08173	7.2
141.10233	0.8
145.02869	0.9
157.09657	0.5
157.10840	9.6
158.09207	0.9
162.46384	0.6
165.13849	0.6
166.12282	0.9
169.09731	0.7
169.13376	0.8
175.11943	0.7
177.05481	3.1
182.16545	3.1
183.14932	12.0
185.16562	2.0
208.14479	1.9
210.16013	3.6
211.14221	2.5
213.16025	1.2
217.11829	0.6
223.10876	0.7
225.17096	41.6
226.17407	1.3
232.13034	1.0
236.14000	1.1
242.19739	5.1
247.32249	0.5
252.18298	0.9
253.16631	7.0
256.78815	0.6
269.20844	0.9
270.19290	3.4
271.17502	0.5
288.20398	1.1
310.92188	0.5
311.05740	0.6
324.23947	1.4
341.26581	4.5
351.24811	1.0
352.23535	1.9
369.26117	4.6
370.24664	0.8
387.27164	4.8
395.27811	0.6
412.30399	2.0
438.17889	0.6
467.25998	4.0
483.30225	0.7
484.28772	28.7
485.29074	1.8
501.31439	100.0
502.31787	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	502.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
56.05037	4.8
57.05804	1.2
58.06603	1.1
65.21943	0.9
69.03432	1.8
69.07066	10.5
69.09449	1.0
69.09773	8.9
70.06593	29.7
71.06934	1.7
71.73558	0.9
72.08155	100.0
73.08497	1.4
74.06082	1.5
77.97000	0.9
82.06604	1.4
82.97598	0.9
83.05005	1.1
83.06107	1.0
84.04504	35.4
84.08144	22.0
84.08623	1.7
85.02928	2.4
86.06077	2.7
86.09704	98.6
87.05573	1.8
87.10042	2.8
91.05451	1.3
93.07044	0.9
96.08133	1.1
97.02861	1.4
98.06039	1.4
98.22621	2.1
101.07145	2.8
102.05532	19.9
104.07108	11.0
108.08134	1.0
110.06023	1.3
110.09645	1.0
112.08734	1.3
113.07157	1.0
114.09149	0.9
115.08677	1.2
116.07107	1.2
118.06880	1.9
120.08124	4.2
127.03989	1.3
129.06604	19.6
129.10236	61.2
130.06549	1.6
130.10608	1.7
132.10190	1.0
136.07574	1.4
137.06017	1.3
138.09117	1.0
141.06604	1.2
141.10231	1.0
143.11794	2.8
144.06618	1.2
144.95610	1.1
147.07675	3.3
152.10722	2.6
154.08600	7.0
157.09724	15.5
157.13359	1.5
159.09229	3.0
162.07648	3.1
169.13428	1.6
170.11824	6.2
171.11343	3.2
172.09650	9.3
175.10785	2.3
185.16513	2.6
187.14470	2.9
196.14581	1.1
197.12849	37.6
198.13272	1.2
199.10786	1.2
201.12340	2.6
203.13959	2.9
212.14813	0.9
212.16438	4.6
213.15988	1.9
214.15884	1.1
215.13913	37.1
225.12326	19.3
228.13409	1.4
229.11740	1.8
240.13214	1.2
242.15002	1.7
243.13387	15.3
252.17122	1.3
254.14998	3.5
260.16104	6.7
261.14368	2.4
275.15997	1.2
282.14511	7.6
290.16965	1.1
296.19705	1.9
300.15509	19.6
300.18921	1.1
340.21310	5.5
353.17630	1.9
353.21811	20.0
371.23026	9.1
381.21292	3.7
383.23077	1.1
399.22391	4.4
465.77658	1.2
502.33017	4.6
503.20303	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	502.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
56.05031	4.2
60.04505	0.4
67.05502	0.9
69.03424	0.9
69.07060	0.8
70.02982	0.3
70.06591	10.1
71.06922	0.5
72.08152	6.9
74.06071	0.8
81.07042	0.3
82.06571	0.5
83.06107	0.6
84.04504	4.7
84.08141	100.0
85.02898	0.6
85.06538	0.8
85.08462	1.4
86.09703	37.9
87.10046	0.4
88.03989	0.4
91.05455	0.3
96.08141	1.3
97.02886	0.5
98.09692	0.3
98.22642	0.8
101.07130	0.5
101.10777	4.4
102.05536	1.9
102.09138	0.3
110.07153	1.5
111.09189	1.1
112.07597	1.0
112.08712	1.0
113.10851	0.4
115.08666	0.5
116.07122	0.8
120.08140	0.4
120.79520	0.3
125.02374	0.4
127.03967	0.4
127.08690	0.6
129.10234	46.4
130.04976	1.7
130.10579	0.7
136.06175	0.4
136.07561	0.6
137.82852	0.3
141.10258	1.1
142.08649	0.3
144.10208	1.2
145.02838	0.5
147.04425	0.5
147.07649	0.7
148.06039	4.4
150.79768	0.3
152.07047	0.3
152.14351	2.8
153.01913	0.3
155.08092	0.4
156.07658	0.4
157.09705	0.4
157.13435	0.4
161.12802	0.5
163.03876	0.5
164.54845	0.3
164.63087	0.4
169.09697	0.3
171.11317	0.4
175.11894	0.3
177.05528	0.8
178.05911	0.4
179.15433	0.8
181.17056	0.3
185.16623	0.4
195.11266	0.3
197.12770	0.5
197.16483	9.1
198.16791	0.3
199.10789	0.6
199.14479	0.4
199.18050	3.7
207.07722	1.4
213.12279	0.4
214.19064	0.9
215.13887	1.8
217.11975	0.5
224.17563	2.5
225.16057	1.4
227.11267	0.3
227.17552	3.0
229.11816	0.7
229.15555	0.5
229.18095	0.3
236.17671	0.5
242.18636	6.6
243.13463	1.2
251.07176	0.4
259.09378	0.5
260.16202	0.5
260.19669	0.6
261.14450	7.8
261.17035	0.4
262.14758	0.4
270.14420	0.5
292.23996	0.5
309.74933	0.3
320.23212	0.5
327.27570	0.9
337.25891	2.4
338.24445	1.1
341.13406	0.9
355.26953	4.6
356.27081	0.4
370.11407	0.6
373.28299	0.6
374.22818	0.9
389.97177	0.4
484.31415	1.2
485.29950	0.7
502.32449	39.6
503.32703	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	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.05513	19.1
57.03442	9.3
57.07074	6.9
61.02903	4.3
63.03257	3.1
65.03940	5.3
65.99108	3.3
67.05508	81.1
69.03427	6.0
69.07073	26.5
69.96478	9.5
71.05001	5.7
73.02924	48.6
77.41283	3.3
79.05495	59.6
81.07058	91.5
83.08623	11.0
85.02927	3.9
85.06564	5.1
86.09685	4.3
88.80901	3.2
91.05477	27.4
91.68736	3.5
93.07047	70.4
95.04968	4.3
95.08611	70.0
95.09167	6.4
95.83418	3.9
97.02940	5.3
97.06449	3.6
97.10190	5.2
99.08115	3.5
104.10763	16.6
105.07032	24.6
107.08594	46.1
109.06532	5.4
109.10177	38.0
109.64983	3.6
111.08038	4.0
117.07035	10.4
119.08593	20.0
120.96658	15.1
121.10139	41.3
123.11706	20.9
131.08580	18.4
133.10135	19.8
135.11681	40.4
137.13266	6.8
141.23877	3.5
142.93756	3.6
145.10095	23.4
147.11688	10.1
149.13232	26.6
159.11702	16.7
161.13280	15.3
163.14865	15.8
164.00856	10.8
173.13274	19.6
175.14906	7.0
177.12735	7.3
177.16386	6.9
187.14839	9.0
195.00685	3.6
205.15964	5.2
228.23409	3.9
233.22711	4.7
243.21097	37.1
261.22119	100.0
262.22620	5.5
263.30200	3.3
305.50998	4.6
335.25735	13.8
339.28955	4.6
353.26913	31.4
443.27600	4.7
459.24667	10.7
502.29080	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	502.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.7
57.03440	18.1
57.07078	34.7
59.05001	6.5
65.03929	2.5
65.49590	1.8
67.05507	100.0
69.07072	8.6
70.05765	1.8
70.56157	5.3
71.05006	3.3
71.08630	23.7
73.04775	3.8
81.07053	24.5
83.08607	14.8
85.10176	15.2
91.05388	2.5
91.05862	4.7
93.07047	5.3
95.08611	17.1
97.10183	3.2
98.23172	2.3
109.01000	1.7
109.10162	82.4
119.08590	4.2
123.11720	4.1
128.89737	1.7
137.09677	2.6
155.10713	5.0
167.05585	8.8
173.11736	25.7
189.08188	1.8
229.14363	95.0
239.23843	2.6
257.24734	2.3
267.00046	3.0
283.03113	1.8
299.06207	8.5
313.27356	99.1
314.27679	3.7
328.10416	1.9
344.97650	2.7
467.37302	53.7
468.37598	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01870	0.6
57.03419	0.6
61.02924	0.5
66.04702	0.7
69.03435	2.4
69.04043	3.1
70.06595	0.9
72.08166	0.7
72.89198	0.3
73.02912	0.6
78.04699	0.4
79.05500	2.0
81.03403	1.1
81.07059	1.2
85.02909	5.8
86.09722	0.8
91.05479	4.0
94.04196	3.8
95.04964	0.5
95.05565	0.3
97.02888	2.2
103.05455	1.7
104.06233	0.6
105.07034	5.8
107.04971	1.2
109.02914	0.5
109.06509	1.6
115.05454	4.1
116.06261	0.4
117.07018	1.6
118.04205	0.4
119.04956	1.0
119.08586	1.7
121.06490	0.4
122.02825	0.7
122.03650	7.9
127.03933	1.0
128.06244	1.7
129.07011	2.5
131.04922	2.0
132.05679	2.2
133.05554	0.5
133.06485	4.2
137.05978	100.0
138.06302	2.5
141.06969	0.8
143.05989	0.5
144.05693	0.8
145.04997	0.8
145.06485	1.4
146.03647	0.9
147.04434	1.1
147.08057	2.6
149.06015	1.9
151.07605	0.3
155.04918	1.0
156.05582	0.4
157.06473	0.6
159.08057	2.9
160.05199	2.1
161.05978	13.7
163.05997	1.0
165.06987	0.7
167.05608	0.6
167.07030	0.7
168.05679	0.4
171.08080	0.9
172.05225	1.1
173.06039	0.5
175.07550	28.5
176.07928	0.7
177.05547	0.6
177.09151	0.4
179.07025	1.3
184.05237	1.0
185.05945	0.5
187.07545	9.6
189.06981	0.9
189.09094	0.9
190.07773	3.0
191.08562	7.7
199.07542	9.5
201.05507	0.5
202.07790	3.2
203.08563	5.4
205.06459	1.0
205.08386	0.5
205.10208	0.7
207.08005	0.7
208.08932	0.9
217.08609	0.8
218.07306	1.7
219.08067	10.7
220.08856	2.9
221.09436	0.4
230.07300	0.7
231.08080	5.0
232.08813	1.6
235.07541	1.0
236.08359	2.0
237.09097	0.8
246.06696	0.7
247.07541	5.1
248.08350	3.6
249.09117	0.6
251.10693	15.1
253.08600	0.6
259.07547	4.2
260.08295	1.3
261.09174	1.1
263.10614	2.9
264.07840	1.2
265.08575	0.8
273.09082	0.4
276.07779	1.5
277.08707	2.0
279.10162	11.4
280.10809	1.6
281.08063	0.5
291.10153	8.7
292.10831	2.6
293.08069	0.7
295.09726	0.4
295.13324	1.2
296.10434	0.6
308.10458	1.1
311.12769	22.2
312.13120	0.9
323.12790	13.7
341.13943	1.0
363.37790	0.4
485.66919	0.3
518.72089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66417	1.8
55.05510	2.5
60.02053	1.8
60.05655	6.8
60.82715	1.9
66.36234	2.0
67.97906	1.8
69.03414	2.0
69.07064	3.0
70.06599	16.4
72.08166	19.9
81.05331	1.8
84.04527	7.2
84.08144	4.1
85.02929	2.6
86.09709	45.7
87.10053	3.6
87.90272	2.1
89.03912	10.5
97.07654	4.8
98.06064	8.3
102.05573	6.6
109.06573	2.3
114.10316	14.2
115.08709	2.6
117.03381	24.6
117.67573	1.9
119.04939	2.1
131.04993	2.5
131.12935	22.7
133.02875	2.3
137.05969	49.2
137.06885	3.2
143.11870	5.7
145.02843	83.1
145.03951	4.5
145.06477	2.7
146.03444	2.4
147.04404	3.3
148.06041	3.2
149.06027	8.9
157.10902	6.2
158.18304	1.9
161.06044	4.6
165.80597	1.8
167.05635	3.7
175.07613	6.9
177.05470	77.7
187.07620	6.8
197.12874	2.9
201.05504	4.1
215.14047	5.9
215.35683	2.0
243.13409	13.3
260.13815	2.2
261.14523	6.1
265.08841	2.4
265.36765	1.9
274.14337	5.0
299.06079	2.4
306.06287	2.1
314.15021	4.9
322.24191	2.3
325.10828	3.1
333.18811	2.0
385.17499	2.1
426.19287	6.3
430.45395	2.2
468.21252	4.8
485.23947	38.7
503.25186	100.0
504.25449	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	503.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71325	0.4
55.05504	0.9
56.05024	1.7
56.13906	0.3
60.05645	1.0
60.88255	0.4
69.07056	1.2
69.17426	3.1
69.51513	0.3
70.06592	5.2
72.08156	7.5
81.03417	0.4
84.04501	20.5
84.08149	3.2
85.02911	1.4
85.04852	0.5
86.09703	100.0
87.10030	2.0
88.29299	0.4
89.03896	0.5
96.04494	0.7
97.07652	0.8
98.06055	1.6
100.70276	0.4
102.05534	12.9
110.07157	1.0
113.07144	0.8
114.10271	2.6
117.03395	1.9
120.08125	0.6
122.03613	0.5
129.06613	3.1
129.10257	2.2
130.04997	2.6
131.04900	0.7
131.12932	5.1
132.10170	2.0
137.05971	11.8
141.06612	2.1
143.04933	0.7
143.11792	0.4
144.06575	1.3
145.02852	4.7
146.03613	0.5
148.06042	12.6
149.05963	0.5
152.10696	1.9
155.08110	0.4
157.10861	1.0
159.09187	0.5
160.05173	0.9
161.05978	0.7
162.07663	0.8
163.07657	0.5
170.11758	2.5
173.12947	0.6
175.07532	2.3
177.05469	5.8
187.07513	0.8
197.12846	7.7
199.18069	1.4
201.05482	0.5
201.12358	0.8
211.10927	0.4
215.13910	26.9
216.14284	0.6
225.12315	2.6
227.17656	0.9
229.11928	0.6
232.09850	0.4
243.13400	27.0
244.13721	1.4
258.14496	0.4
261.14459	27.2
262.14798	1.2
274.14377	1.2
277.08429	0.4
309.10986	0.8
310.21396	1.5
314.15088	1.3
325.10803	0.6
338.20706	3.2
356.21921	2.6
367.20313	0.5
403.47983	0.4
425.20264	0.6
426.19235	1.5
468.21655	0.8
485.23993	7.8
486.24408	0.8
503.25925	8.0
504.25247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.6
53.59031	0.5
55.05502	0.9
55.25396	0.5
56.05037	3.5
57.03426	0.7
60.21804	0.5
64.10751	0.6
67.05490	0.8
69.03429	5.1
69.07063	1.4
70.02951	1.5
70.06592	7.6
70.62379	0.7
70.62711	1.2
72.08157	4.3
74.06091	1.3
81.03418	2.0
82.06583	2.5
84.04489	3.1
84.08141	100.0
85.02901	6.5
85.08466	2.5
86.09705	30.7
88.03988	6.1
89.92366	0.6
97.02866	3.3
99.00801	3.5
99.04463	1.4
101.10784	2.5
102.05534	2.3
105.03374	1.0
107.04961	1.6
109.02880	4.6
110.06063	0.8
110.07185	0.6
111.09213	3.9
112.07606	1.5
112.08750	0.7
113.91465	0.5
115.08710	0.6
117.03402	0.7
122.58356	0.5
123.04418	9.1
127.03908	5.6
127.08640	1.1
129.10236	90.1
130.10559	1.8
133.06012	0.7
135.04410	2.9
136.05148	0.7
137.02391	0.6
137.10701	0.5
138.10196	0.7
139.08672	4.6
141.10228	1.0
145.02895	1.0
145.04984	1.1
148.06020	3.6
152.14308	0.8
153.07027	1.0
156.11386	1.2
157.09720	0.8
161.05952	0.7
163.03914	8.6
163.08701	0.9
164.07150	1.0
167.08180	1.5
176.46606	0.5
180.11365	1.1
181.06453	1.5
183.11359	1.1
184.10822	6.6
189.05466	1.1
191.08163	1.1
195.14937	1.6
197.16518	1.8
198.12447	1.9
199.07565	0.6
201.12354	0.7
203.10397	0.5
205.06522	1.7
209.06140	0.5
209.09193	14.1
213.12320	0.8
214.19221	0.6
223.07545	2.2
224.07674	0.5
224.17610	3.6
226.11858	25.8
227.10251	2.3
227.12222	1.1
233.06032	1.4
240.13609	0.9
241.15424	1.6
242.18810	0.6
243.05139	0.6
244.07271	0.8
244.12914	22.7
245.08008	0.9
245.13338	0.8
251.07011	3.7
252.07396	0.5
252.17116	0.7
255.06381	0.6
260.19662	1.3
261.05692	1.1
261.14441	8.4
269.08096	2.3
270.18109	5.8
276.16956	0.8
279.06540	6.1
293.39188	0.5
296.06433	0.8
297.07553	7.0
302.13483	0.5
304.16223	0.6
307.05927	1.1
311.20660	0.8
312.18954	0.7
314.07571	0.7
316.85315	0.6
321.19165	1.5
322.17572	2.0
324.49857	0.5
325.06787	2.7
329.21725	3.7
334.82047	0.6
339.20245	13.0
340.14819	0.7
340.18243	2.5
343.08182	1.8
357.21329	16.3
358.21722	1.6
371.22934	0.6
376.60382	0.7
384.17160	0.6
389.24115	2.3
393.36719	0.5
469.22617	0.7
486.25568	1.7
495.22198	0.6
504.18964	1.4
504.26614	25.5
505.26880	1.5
514.57263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
56.05029	2.6
57.05818	1.1
58.06612	0.6
60.04529	0.5
68.05040	0.4
69.03451	0.7
69.07085	0.6
69.34405	1.0
69.34817	1.9
70.02955	0.8
70.06591	15.8
71.06921	0.6
72.08154	100.0
73.08496	1.7
74.06079	2.2
81.03410	0.7
83.06102	0.7
84.04498	4.1
84.08145	17.5
85.02901	1.7
86.09704	58.8
87.05592	1.0
87.10049	1.5
88.03986	3.0
96.08147	0.7
97.02875	1.2
101.07142	1.4
102.05530	2.6
105.03370	0.6
106.05051	0.5
109.02829	0.5
110.07145	2.0
111.09090	0.5
112.08739	0.6
112.11284	0.4
113.10786	0.4
115.05024	0.7
116.01424	0.5
116.07087	1.2
120.06573	2.0
120.08112	0.7
127.04005	0.8
127.05035	3.5
127.08673	2.4
129.06598	0.6
129.10243	9.8
130.04988	1.6
132.08054	0.5
132.10204	0.5
136.07574	0.8
138.09132	0.9
140.14311	1.1
141.06482	0.6
141.10213	2.5
145.04985	0.6
145.06096	0.7
155.08119	1.3
155.11775	0.8
156.10181	0.9
157.09726	10.5
158.10022	0.5
159.07729	0.8
159.09143	1.0
163.03856	1.9
166.08603	1.1
167.08162	0.5
169.05986	0.5
169.09706	0.5
173.05528	1.5
173.12839	0.9
183.11229	2.8
187.10748	0.5
195.11346	0.9
197.12952	0.6
197.16502	0.9
200.13863	1.9
201.12337	11.3
212.10266	0.8
213.12297	1.0
215.13892	2.9
217.08299	0.7
223.07426	0.5
225.15778	0.5
226.11819	0.8
229.11813	4.0
229.30328	0.4
233.14978	4.1
240.13440	1.5
244.12866	0.9
245.07695	0.6
251.07365	0.5
254.14859	0.6
256.08942	1.2
258.14493	1.4
263.13870	2.3
272.12396	42.6
273.12698	2.0
282.18192	0.6
283.10098	1.0
286.13818	3.7
295.09958	0.8
312.15640	0.9
313.11169	3.2
325.06882	0.5
330.16360	2.1
339.20157	1.3
348.17270	0.6
357.14410	3.2
357.21295	17.4
358.21332	1.2
369.17502	0.7
385.20782	5.9
386.20978	0.5
387.18970	2.0
460.17694	1.5
486.25650	3.6
500.30194	0.5
504.20099	10.9
504.26938	3.7
505.20190	1.3
505.27563	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	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41501	0.2
53.03944	0.2
55.05515	0.4
55.52161	0.2
57.03431	0.6
57.05817	0.9
58.06593	0.6
61.02919	0.2
64.94802	0.2
67.05491	0.8
69.03426	1.1
69.04955	1.6
69.07078	0.9
70.06590	4.4
71.04980	0.4
72.08153	100.0
73.08485	1.1
79.05495	0.8
81.03410	0.4
81.07048	1.4
83.04964	0.2
84.04504	0.5
84.08146	1.5
85.02899	2.0
86.09705	3.9
87.04436	0.3
87.10036	0.7
91.05475	0.6
93.07039	1.5
93.61980	0.2
95.06156	0.2
95.08611	1.2
96.08137	0.5
96.78828	0.2
97.02888	0.8
97.06518	0.5
99.04430	0.2
100.07603	0.2
102.05566	0.3
103.03944	0.2
105.03403	0.3
105.07043	0.4
107.08561	0.4
109.02858	0.3
109.10133	0.3
110.07150	0.4
114.08311	0.2
114.09095	0.4
115.42906	0.2
119.08584	0.4
120.08127	0.6
121.10157	1.0
122.09718	0.3
123.04450	0.2
124.11240	2.2
127.03913	0.7
129.10248	0.4
139.11191	0.4
145.04921	0.2
146.11783	0.4
147.11676	0.2
163.03899	0.3
166.71581	0.2
181.06079	0.2
187.14777	0.2
203.12732	0.3
205.15887	0.2
245.07587	0.5
246.07970	0.4
259.20416	0.2
261.18515	0.7
263.20041	0.2
306.27713	0.4
310.06387	0.2
324.25253	2.8
324.28946	0.9
325.25647	0.2
342.26367	14.4
342.29984	1.1
343.26810	0.9
367.64746	0.2
486.30536	0.2
492.44760	0.2
504.31494	41.9
505.21735	0.6
505.31894	3.7
511.31262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10390	0.3
53.03940	0.8
55.01867	1.0
55.05518	2.6
56.05027	0.8
57.03442	2.0
57.05806	0.4
57.07072	0.6
58.06612	0.4
61.02906	1.0
63.29182	0.3
66.62165	0.3
67.05508	4.8
69.03426	4.4
69.07050	2.2
69.07600	2.9
70.06586	3.0
71.01369	0.3
71.04993	2.6
72.08154	100.0
73.02927	0.7
73.08504	1.1
73.49454	0.3
79.05487	2.3
81.03420	1.7
81.07062	5.4
83.04982	0.7
83.08620	2.6
84.08147	1.2
85.02901	6.1
85.03368	0.5
85.06532	0.7
86.09710	2.1
87.04478	0.9
91.05444	1.6
93.07047	2.8
95.04955	0.5
95.08606	3.3
96.08139	0.4
97.02887	2.7
97.06529	1.3
97.10184	0.5
99.04456	1.1
102.09192	0.4
103.03987	0.4
105.03392	1.1
105.07050	0.7
107.08585	2.1
109.02878	0.9
109.10147	0.8
111.08073	0.5
119.08583	0.9
120.08115	0.4
121.06510	0.3
121.10146	1.5
124.11251	2.5
127.03918	1.3
129.10193	0.5
133.10123	0.5
135.08073	0.4
135.11687	0.5
145.04848	0.4
147.11678	0.6
149.13284	0.9
186.34187	0.6
246.18246	0.6
306.27869	3.5
308.41479	0.4
324.28946	11.8
325.29324	1.0
342.30023	40.0
343.30380	2.1
369.80054	0.4
375.97339	0.3
486.33994	0.7
492.08301	0.4
504.35287	71.6
505.35571	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.05036	1.1
57.03431	0.7
57.05812	0.4
58.06598	1.0
58.67792	0.2
66.60429	0.2
67.05496	0.6
69.03436	0.8
69.07071	0.5
69.14798	1.5
69.15214	0.5
70.06589	2.5
71.04977	0.2
72.08155	100.0
73.08501	1.1
79.05482	0.5
81.03462	0.3
81.07044	0.8
83.08628	1.1
84.08143	0.6
85.02901	1.6
86.09700	0.4
89.39505	0.2
93.07063	0.9
95.08614	0.9
96.08118	0.4
97.02907	0.3
97.06541	0.4
99.04459	0.3
107.08600	0.5
109.02850	0.2
124.11244	2.3
127.03891	0.3
149.13293	0.3
186.34282	0.3
295.04153	0.3
306.27982	0.5
324.29028	2.8
342.26385	0.4
342.30029	4.5
486.34296	0.4
504.35318	56.7
505.35715	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	504.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05029	0.8
57.03444	0.6
57.05816	0.6
58.06594	0.5
67.05505	0.8
68.69969	0.2
69.03425	1.1
69.07070	0.6
69.38067	0.2
70.06593	3.7
70.55846	0.5
72.08155	100.0
73.02902	0.2
73.08479	1.3
79.05492	0.3
81.03426	0.5
81.07068	0.9
81.94542	0.3
83.08616	0.6
83.30067	0.2
84.08141	0.9
85.02900	1.6
86.09706	0.8
86.92502	0.3
91.05479	0.4
93.07042	1.0
95.08604	0.7
96.08128	0.3
97.02914	0.7
97.06538	0.5
100.07604	0.3
105.03369	0.4
105.06992	0.4
107.08559	0.4
109.02875	0.4
109.08869	0.3
109.10155	0.3
110.09732	0.3
111.08096	0.4
120.08094	0.2
121.10156	0.2
124.11227	2.3
127.03875	0.3
129.10243	0.3
149.13274	0.7
186.34241	0.4
202.94177	0.2
301.17395	0.3
324.28842	1.9
342.26208	0.3
342.30045	5.9
343.30392	0.3
460.76974	0.3
486.34357	0.9
504.35318	54.5
505.24362	0.4
505.35562	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	8.3
53.03946	5.0
55.01869	4.4
56.05029	2.0
57.03436	6.3
60.04531	1.6
61.02920	5.4
64.42699	1.5
66.02860	1.3
69.03430	51.2
69.23074	11.0
70.06607	10.5
71.01350	5.3
71.04988	3.0
71.11800	1.3
72.08159	6.2
73.02901	1.7
74.06091	2.5
77.63348	1.8
80.20542	1.3
81.03422	18.7
83.01349	2.3
83.47417	1.3
84.04523	7.4
84.08143	17.8
85.02907	84.7
85.08486	3.0
86.09704	9.8
88.03979	2.7
89.03926	3.0
91.03915	1.7
91.05485	4.9
91.70030	1.6
95.04988	2.8
97.02893	39.1
97.03512	2.1
98.44829	1.4
99.00823	44.1
99.04453	9.3
99.05620	1.7
102.05582	3.2
105.03381	4.4
107.04958	12.5
109.02883	51.4
110.07212	1.7
115.05456	3.8
116.07090	2.0
117.01872	3.7
117.03385	3.4
119.04925	12.5
123.04432	100.0
127.03918	49.4
129.10251	14.8
130.10596	2.5
131.04913	2.6
133.75174	1.7
135.04428	24.2
136.05199	3.7
136.07559	2.8
137.02318	2.9
143.04979	3.6
144.10262	1.7
145.02867	4.9
145.04958	11.7
147.04410	73.1
148.06061	1.7
152.06328	1.4
153.06958	7.0
157.25475	1.8
161.05992	6.4
163.03915	37.5
165.05498	27.1
167.08354	2.5
177.05499	4.7
177.07042	4.6
181.04935	3.7
181.06474	11.3
183.02916	1.8
185.11000	1.5
189.05492	6.4
195.02866	4.9
195.07986	3.5
199.07527	7.1
203.03468	1.9
205.04800	2.6
205.06511	17.5
209.06061	2.1
210.09471	1.5
217.08202	2.0
223.07520	15.3
225.03966	3.2
226.11911	3.3
227.07037	3.8
231.09822	1.7
233.04001	3.1
233.06218	13.4
237.05531	3.0
243.05005	7.2
244.07291	7.5
244.12950	2.1
245.08067	17.2
247.12721	1.6
251.07056	31.3
252.07414	3.5
255.06673	8.2
261.05844	16.4
265.05017	2.0
269.08096	22.9
270.08530	1.7
271.09833	1.7
279.06519	66.5
280.06931	3.4
283.05997	2.6
297.07571	55.6
298.07748	2.5
307.06064	12.1
325.07022	36.2
326.07230	2.7
343.08102	21.2
505.26965	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	505.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.56352	1.1
55.01888	1.3
55.05508	1.9
55.34979	1.0
56.05034	2.0
57.03432	1.7
60.04528	2.8
61.02916	3.1
69.03431	6.7
69.07057	1.6
69.34507	6.8
70.06590	24.0
72.08158	13.7
73.08481	2.1
74.06073	1.4
79.05505	1.5
81.03432	3.3
81.07026	1.2
84.04494	8.3
84.08147	15.0
85.02901	25.5
86.09709	23.4
87.05614	1.3
87.10053	1.9
88.04018	2.2
89.03920	9.3
91.03934	2.1
91.05466	1.4
92.64363	1.1
93.07034	1.2
97.02897	7.3
98.06045	1.1
99.04483	2.4
102.05552	4.7
104.05382	1.2
105.03389	3.3
107.04951	3.3
109.02885	4.5
109.10152	1.5
110.07185	3.4
111.04459	1.2
115.03978	1.4
115.08684	1.3
116.07090	2.3
117.03397	8.5
119.04978	1.9
120.08109	2.4
123.04439	6.0
127.03922	7.7
129.10265	9.4
130.04997	1.7
130.10689	1.6
135.04417	16.1
137.05887	1.2
145.02853	14.5
145.04924	9.2
147.04416	12.9
147.07666	2.5
159.09239	1.6
163.03903	100.0
163.06075	4.3
164.04239	2.9
165.05458	1.8
168.13931	2.4
181.04945	37.7
181.06186	2.1
186.14948	3.8
204.15945	9.5
205.06621	2.4
213.12373	4.0
227.06708	1.7
245.07646	1.4
251.07201	1.4
265.46063	1.2
272.12457	2.5
272.96689	1.3
279.06552	4.5
297.07712	3.2
325.07013	3.3
325.10648	2.1
349.00974	1.3
381.41959	1.3
504.81512	5.7
505.20984	1.5
505.28885	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	505.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	2.1
53.03951	2.9
55.05516	3.0
56.05034	7.3
56.05302	1.8
56.53698	2.0
57.03443	3.0
58.06604	2.1
60.04517	4.3
61.02922	4.4
63.52986	2.0
69.03426	22.4
70.06591	61.9
70.10062	7.7
71.06934	4.0
72.08154	20.3
74.06084	11.4
81.03416	9.2
84.04502	25.1
84.07639	2.6
84.08145	39.9
85.02910	41.7
85.08483	4.2
86.09708	32.3
87.10053	2.9
88.03985	2.3
89.03930	8.1
91.03977	2.3
91.05484	5.7
97.02887	15.2
98.02425	2.2
99.00811	10.8
99.04476	5.6
101.07175	3.3
102.05559	12.2
104.05352	3.8
105.03412	8.1
107.04962	8.2
109.02889	17.8
110.07209	4.9
111.04468	1.9
112.08741	2.3
115.08712	2.1
116.07101	7.3
117.03387	7.1
119.04949	12.9
120.08128	6.4
123.04420	27.4
127.03904	18.8
129.10234	31.8
130.10629	3.4
135.04424	21.2
136.07562	6.1
137.02399	4.0
139.03937	3.1
141.10245	2.6
143.04886	2.6
145.02832	13.4
145.04970	9.7
147.04414	74.4
148.05989	2.2
161.05904	2.1
163.03908	100.0
163.06017	4.5
164.04245	3.2
165.05519	7.6
165.11278	2.3
179.36258	2.0
181.04944	30.7
181.06401	5.0
189.05489	2.8
195.07855	2.7
199.07393	3.4
201.12456	2.6
205.06520	6.8
213.12325	28.3
223.07564	6.5
226.11931	4.2
227.06938	3.3
227.12228	2.1
233.05937	2.8
243.04982	3.3
244.12833	2.8
245.08000	5.5
247.13026	3.3
251.07065	11.9
254.05258	2.1
255.06558	3.3
261.05881	3.3
269.08026	6.3
279.06525	22.6
283.05862	2.3
297.07584	18.5
307.05908	2.9
309.09570	3.6
325.06937	14.4
343.08148	5.8
358.22101	2.3
407.46671	2.0
433.72552	2.5
505.27353	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	505.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05504	1.4
56.05032	0.9
57.03431	1.1
58.06602	1.2
61.02917	0.7
67.05508	1.3
69.03405	1.6
70.06598	4.9
71.30088	1.0
72.08155	87.9
73.08483	9.2
79.05497	0.8
81.07043	2.1
83.08615	1.2
84.08151	1.5
85.02921	1.5
85.08418	0.7
86.09711	3.7
91.05488	1.5
93.07043	1.3
95.08614	2.0
97.02885	1.9
97.06547	0.8
98.97576	2.0
105.03391	2.3
119.08630	0.9
120.08103	1.0
124.11227	2.0
127.03930	0.9
128.98593	1.3
136.07512	0.8
154.64577	0.7
177.00809	0.9
237.02827	1.7
245.55821	0.8
291.03882	0.8
324.29010	2.1
325.29337	2.3
342.29968	4.6
343.30359	6.5
344.31604	1.0
504.35248	16.3
505.20383	100.0
505.35672	33.9
506.20633	6.1
506.36469	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60498	1.5
53.03947	3.2
55.05509	3.6
56.05032	3.8
57.07090	2.2
58.06586	1.9
60.04520	1.7
67.05504	7.1
67.66394	1.8
69.03427	9.6
69.07072	5.9
70.06602	24.1
70.08653	6.4
70.09012	2.1
71.04982	4.1
72.08159	35.0
73.02940	2.0
74.06090	2.2
79.05519	2.9
81.03419	6.9
81.07066	7.1
84.04510	13.1
84.08153	7.6
85.02908	25.6
86.09709	68.9
87.09499	3.2
87.10043	16.8
91.05502	3.0
93.07043	7.0
94.63795	1.7
95.04939	1.8
95.08617	4.9
97.02882	13.3
97.06565	3.4
99.04454	18.2
102.05537	5.2
103.03936	29.6
105.03385	3.9
105.07018	3.6
107.08597	8.5
109.02849	8.2
109.06491	4.3
109.10175	13.6
110.07113	2.0
111.08097	2.9
113.05992	2.9
114.09190	2.7
119.08569	3.7
120.08125	4.5
121.10159	6.4
123.08081	8.9
123.11708	19.7
127.03056	3.5
127.03918	39.4
128.10765	2.2
129.10275	4.5
131.12967	2.4
135.11693	11.3
137.05968	3.5
137.09615	8.2
139.11195	2.8
141.23674	2.2
145.02853	1.9
145.04965	20.7
145.10159	2.8
148.06090	4.0
151.11169	40.8
153.12750	3.6
157.09760	2.1
159.09148	3.2
160.68285	1.7
163.06058	10.6
163.11201	13.4
169.12248	34.5
177.05417	2.5
181.04979	2.3
181.12216	30.1
181.13637	2.7
186.08765	2.8
195.31279	2.0
198.13181	2.1
199.13293	100.0
200.13734	2.2
215.13902	9.5
216.14262	5.3
217.14427	2.9
243.13480	7.0
244.13576	4.0
245.13995	2.2
261.14484	3.7
262.14883	3.9
263.15021	3.7
271.07938	2.3
307.05933	3.0
326.23523	1.8
343.26770	2.5
344.24200	6.3
391.07877	1.9
392.85098	1.9
421.21936	2.0
423.57663	2.0
505.23007	3.8
505.31979	5.7
506.29254	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	505.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05505	3.5
56.05034	2.9
58.06586	2.3
67.05495	6.1
68.47564	1.7
69.03431	10.5
69.07056	2.6
69.16372	2.4
69.16771	10.8
70.06593	32.3
71.04981	3.9
72.08158	12.2
73.02909	2.9
74.06088	1.9
79.05499	5.2
81.03424	10.1
81.07053	3.8
83.04980	2.5
84.04502	5.9
84.08144	9.4
85.02908	33.2
85.06527	1.8
86.09707	22.5
91.05479	7.2
93.07054	8.1
95.04968	6.5
95.08616	2.3
95.61818	1.4
97.02888	17.5
97.06515	2.4
99.04460	21.5
102.31659	1.4
103.03297	2.3
103.03946	31.3
104.05334	3.2
105.03404	3.6
105.07029	6.7
107.08614	13.9
109.02874	14.2
109.06527	3.0
109.10153	22.4
110.07137	4.5
112.08711	3.6
113.05984	5.4
115.08663	1.5
116.07110	2.1
119.08590	7.8
120.08097	9.3
121.03014	1.7
121.10144	8.7
123.08080	4.4
123.11696	2.7
125.09592	1.6
127.03917	50.0
128.10724	4.5
129.10242	5.4
130.07747	3.6
133.10155	2.3
135.11694	23.4
136.22551	1.4
137.09613	25.2
141.09108	2.0
145.04977	18.1
145.10103	7.3
148.08806	3.2
151.11139	7.5
153.12750	2.8
159.09239	1.7
163.06038	10.5
163.11180	68.0
169.12239	2.7
181.12233	29.8
182.12486	2.1
187.06021	4.0
199.13290	100.0
200.13634	4.2
205.06911	1.6
212.20660	1.4
215.14203	1.5
233.04567	1.5
238.10927	1.6
271.08032	1.9
325.11481	1.7
326.23410	2.9
344.24304	3.3
351.38879	1.5
505.22092	4.4
505.32739	2.8
506.30231	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	505.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05516	10.8
57.03445	3.2
57.07076	4.3
57.92739	0.3
60.75658	0.3
67.05492	2.0
69.07069	12.2
69.40469	0.4
69.40871	1.8
71.08628	2.8
72.12549	0.4
79.05489	0.9
81.07059	2.2
83.04986	0.4
83.08150	0.5
83.08620	9.0
85.10166	1.2
93.07051	1.0
95.08596	1.5
97.06532	0.8
97.10178	5.7
98.22512	0.4
103.50134	0.4
107.08594	0.6
109.10124	0.7
111.08039	0.3
111.11733	1.0
115.03682	1.4
118.84887	0.3
120.96635	0.7
121.10137	1.4
125.09613	0.4
125.13345	0.3
125.69676	0.3
135.11661	0.6
156.97440	0.5
174.98479	0.5
176.99258	3.9
195.00304	100.0
196.00684	0.6
213.00104	1.2
219.20868	0.3
226.41974	0.3
311.25787	15.7
312.26089	1.0
333.23938	0.8
396.98834	0.3
413.21024	0.6
438.81851	0.3
487.24088	0.5
505.25378	8.7
506.25760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
55.49727	0.3
56.05037	1.2
57.03447	0.8
58.06602	1.6
61.02946	0.6
64.37937	0.4
67.05526	0.8
68.05045	0.4
69.03441	1.9
69.07069	1.3
70.06594	100.0
71.05000	0.7
71.06922	1.8
72.08158	7.5
73.02922	0.5
79.05494	1.0
81.03399	0.7
81.07069	2.0
84.04512	3.6
84.08147	1.7
85.02919	3.2
86.09715	7.6
86.10244	0.5
87.04446	0.3
88.07641	0.4
89.24630	0.4
91.05490	1.3
92.37644	0.3
93.07046	1.8
94.70106	0.4
95.04954	1.6
95.08622	1.8
97.02903	1.3
97.06545	0.6
99.04459	0.6
102.05553	3.2
102.09199	0.4
103.03935	0.5
103.05473	1.5
104.05312	0.6
105.03396	2.1
105.07042	0.6
107.08584	1.0
108.08155	0.5
108.08916	0.4
109.02904	0.5
109.10158	0.6
110.09688	1.8
111.10033	0.4
112.08748	0.4
116.07094	1.9
119.08582	0.7
120.08109	34.9
121.08450	0.8
121.10160	0.6
124.11312	0.6
127.03932	1.9
127.08630	0.4
128.10709	2.5
129.10236	0.5
129.11099	0.8
132.08081	0.5
132.10196	4.3
133.10179	0.6
135.04463	0.5
135.11719	0.7
136.07616	0.9
137.09605	0.4
144.10222	0.4
145.04958	0.9
147.11743	0.5
154.76048	0.3
159.09193	0.5
163.03949	1.1
166.08681	0.5
169.13368	2.1
179.10593	0.5
181.09714	0.9
186.09151	1.4
197.11526	0.6
197.13115	0.7
199.13295	0.4
209.09189	0.4
215.13977	0.6
217.13689	0.4
229.15472	65.0
230.15807	1.9
233.16109	0.4
243.13350	2.1
249.12379	4.2
263.13959	2.0
277.11823	3.2
298.27359	0.4
308.25665	0.5
325.25613	1.3
326.26987	2.3
340.18417	0.4
342.26343	2.0
343.26773	4.4
344.28015	3.3
488.32144	2.5
505.22339	13.0
505.32065	5.6
506.22269	0.8
506.32977	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	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46525	2.5
55.05500	3.4
56.05025	11.6
56.62893	2.2
57.03435	6.0
58.06593	2.7
60.04525	6.4
61.01139	5.7
61.02922	9.5
65.85192	2.4
69.03437	17.8
69.65448	5.2
69.65862	7.9
70.02969	2.6
70.06592	86.6
71.04962	3.6
72.08155	24.3
73.02895	4.5
74.06075	5.5
81.03398	4.8
84.04495	13.1
84.08148	16.8
85.02907	100.0
86.09707	41.1
87.04439	4.2
87.05608	3.2
87.10013	2.8
88.04017	2.8
91.03960	4.4
91.05467	11.9
97.02889	21.0
98.06032	3.3
99.04465	6.3
102.05527	6.0
102.36552	2.4
104.05332	7.5
107.04945	3.6
109.02871	7.4
110.07170	11.7
113.07120	6.2
116.07081	5.3
119.04131	2.8
119.04925	21.6
120.08109	30.3
121.06525	4.4
123.04449	6.4
127.03908	26.9
128.10690	3.6
129.10236	11.8
134.06018	3.0
136.07573	16.7
145.04955	47.8
147.04410	99.4
148.04741	3.5
159.11310	2.6
160.07718	3.1
163.03918	6.6
163.06021	21.4
165.05443	30.5
166.05350	3.0
167.08127	3.9
177.05496	3.5
178.08675	7.1
197.12810	4.0
200.13959	4.7
201.12468	2.8
212.10300	5.8
215.13823	7.5
228.13405	2.9
243.14578	2.9
309.09879	6.3
315.13443	4.2
325.11545	3.3
344.24304	4.7
345.14722	3.7
387.15387	4.2
472.70551	3.1
506.31314	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01869	1.8
55.05520	1.2
56.05037	2.3
57.03441	4.7
57.03673	0.7
61.01151	0.7
61.02930	6.5
65.03936	1.1
69.03083	1.3
69.03437	12.1
69.36652	4.1
70.06594	12.2
71.04985	2.2
72.08154	3.3
72.57076	0.7
73.02898	2.3
74.06079	1.3
81.03423	6.4
83.06128	0.8
84.04500	2.3
84.08132	5.4
85.02910	84.7
86.03265	1.4
86.09712	7.9
87.04478	0.9
91.03950	3.5
91.05479	8.2
97.02901	22.8
98.06052	0.8
99.04415	3.7
103.04003	0.8
104.05321	1.8
109.02888	7.1
110.07149	1.5
112.08699	0.7
115.04007	0.9
119.04950	18.8
120.08110	2.0
123.04468	1.5
127.03927	20.6
129.10213	2.6
136.07622	1.5
137.73927	0.9
144.06554	3.1
145.04967	33.8
145.06123	1.7
147.04417	100.0
148.04741	3.3
148.05923	0.7
149.55151	0.8
159.09189	1.1
162.07625	1.4
163.03966	1.4
163.06012	12.8
165.05490	49.2
166.05812	1.0
309.09726	1.5
330.41425	0.9
438.85117	1.0
506.26675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20852	0.3
53.03936	0.4
55.01878	0.4
57.03438	0.6
61.02924	1.2
61.27817	0.4
65.03939	0.9
69.03418	2.3
69.76161	0.9
69.76556	0.6
70.06588	0.6
72.08162	0.5
81.03436	0.7
84.04517	0.4
84.08111	0.5
85.02908	10.9
87.04499	0.4
91.03961	0.6
91.05483	6.6
95.87868	0.4
97.02908	3.2
99.87906	0.4
100.55260	0.3
109.02874	0.9
117.78239	0.3
119.04945	19.6
123.04426	1.0
127.03917	2.4
129.10242	0.6
145.04970	3.4
147.04410	100.0
148.04709	3.1
152.91473	0.3
156.73999	0.3
162.07576	0.4
163.06042	1.3
165.05479	48.6
166.05795	1.3
180.08640	1.5
266.32523	0.3
266.78668	0.4
267.22070	0.4
309.09698	0.8
325.50131	0.4
428.83817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03441	11.8
59.05001	2.1
60.04523	2.6
63.84113	1.2
69.03431	41.2
70.06608	1.3
70.92547	1.4
77.40275	1.2
84.53761	1.0
85.02911	26.7
87.04475	23.4
91.05461	1.3
97.02274	2.2
97.02890	29.6
99.04458	1.1
103.05482	9.8
105.03374	1.3
105.07030	3.1
107.00925	1.1
107.04958	9.7
111.04504	1.4
115.03931	38.6
115.05404	1.5
120.08131	1.6
121.06478	1.4
127.03901	2.6
133.04968	36.2
135.08051	7.1
139.03912	4.6
144.06540	2.4
145.04944	3.1
145.06538	1.4
145.07616	1.2
150.07599	7.1
154.06252	43.6
155.06606	1.2
162.07611	2.0
163.07539	32.7
180.08801	1.7
180.37180	1.1
195.10172	100.0
196.10490	3.3
207.10204	6.3
219.10112	3.3
225.68227	1.1
245.11757	2.6
271.95724	1.0
291.12387	2.6
294.11890	1.3
312.12854	1.6
317.25003	1.1
362.25803	1.2
433.52466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05034	0.4
57.43796	0.3
58.06609	0.5
60.07887	0.5
60.08167	6.4
67.05489	1.0
71.07378	3.0
71.30517	0.4
81.07041	1.1
86.09708	30.3
87.10020	0.3
91.05459	0.4
93.07032	0.5
95.08591	0.7
98.98463	3.5
102.34123	0.3
104.10757	3.1
105.03377	0.5
107.08576	0.3
118.57374	0.3
119.08617	0.4
120.18233	0.3
120.54665	0.3
125.00006	22.1
133.10135	0.4
133.81992	0.3
147.11815	0.3
184.07344	100.0
185.07700	0.9
207.32132	0.3
225.10150	0.4
249.10291	0.4
251.11745	0.7
263.11804	0.7
265.13342	0.4
293.12442	0.3
323.13992	0.5
323.25861	0.3
325.15341	0.8
383.15799	1.5
385.17542	1.1
403.76971	0.3
446.20825	0.7
488.30673	0.5
506.32422	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	506.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.6
55.01911	0.9
55.05508	4.4
57.03447	3.8
58.06589	4.5
61.02954	1.6
65.03979	0.9
67.05512	4.2
69.03436	5.9
69.04583	5.9
69.07067	7.1
70.06596	8.1
71.05032	1.2
71.06954	0.7
72.08154	36.8
73.02978	1.2
79.05483	6.0
81.03429	3.0
81.07057	15.6
83.05029	1.3
83.08649	1.0
84.04552	1.4
84.08133	4.9
85.02908	6.4
85.06570	0.8
85.08958	1.2
86.09706	12.6
86.16094	0.6
87.04519	1.8
91.05519	1.6
93.07044	8.3
95.08604	11.3
96.08187	0.9
97.02886	3.8
97.06602	2.5
97.10231	2.1
98.09737	1.4
103.41131	0.8
105.07114	2.2
107.08657	2.3
109.02900	1.5
109.10213	2.1
119.08636	1.8
120.08099	20.6
121.08503	1.5
121.10148	8.1
123.08141	1.1
123.11746	0.9
124.11312	0.9
125.09687	0.9
127.03904	1.3
129.10312	1.0
131.08575	1.1
132.10263	0.9
132.63768	0.7
133.10146	1.0
135.11740	1.4
139.11191	3.9
140.65919	0.7
143.11888	2.4
145.04991	0.8
145.10152	1.0
147.11729	1.4
149.09720	1.3
161.13382	0.8
167.10800	0.7
171.11360	2.7
177.10297	2.1
197.12917	0.9
203.12837	1.7
205.09811	1.4
215.13956	1.8
228.13509	2.1
229.15477	0.9
233.16560	1.4
243.13432	1.0
245.19090	2.4
261.16098	1.0
263.20074	10.9
265.15573	1.1
279.17047	1.2
308.25885	1.7
326.26886	69.2
327.27078	3.3
344.27945	100.0
345.28275	6.6
347.20807	1.2
415.48447	0.7
488.32236	5.9
506.33047	68.0
507.33017	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	506.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01855	0.4
55.05500	0.7
56.05040	2.0
57.03422	0.9
58.06600	1.5
60.04515	0.3
61.02922	0.5
61.80280	0.2
63.25227	0.2
66.82560	0.2
67.05489	1.0
68.05024	0.6
69.03135	0.2
69.03433	2.4
69.03780	0.4
69.07050	0.9
69.58549	0.5
69.58953	0.8
70.06591	9.3
71.04982	0.8
71.06901	0.2
72.08160	5.5
73.02905	0.6
74.06082	0.6
79.05495	1.7
81.03403	1.1
81.05784	0.4
81.07062	2.6
82.06184	0.3
82.06584	3.0
83.04967	0.4
83.08591	0.2
84.04507	1.2
84.08140	4.2
85.02904	3.3
85.06544	0.4
86.09703	4.9
87.04456	0.8
88.07645	1.1
90.63979	0.2
91.05470	1.0
93.07053	1.8
94.06585	0.7
95.04971	0.8
95.07344	1.4
95.08598	1.3
96.08124	0.6
97.02897	1.7
97.06535	3.9
98.06053	0.3
99.04461	0.6
100.07602	0.4
101.02384	0.2
101.07146	0.3
103.03934	0.9
104.05358	0.3
105.03424	0.2
105.06979	0.3
107.04922	0.2
107.08587	0.4
108.08131	4.0
109.02855	0.6
110.07182	0.4
110.09680	24.1
111.08119	0.3
111.10094	0.2
111.57707	0.2
114.09155	0.5
119.08633	0.5
120.08105	3.2
121.06464	0.2
121.10119	0.3
123.04330	0.3
124.11198	0.3
127.03925	1.8
128.04271	0.4
128.10716	100.0
129.10277	1.6
129.11031	1.8
130.05011	0.8
130.08655	0.5
133.10143	0.3
135.04405	0.4
136.07568	0.4
139.90631	0.3
143.11815	0.2
145.02773	0.3
145.04982	0.8
147.07652	1.2
147.11673	0.3
150.24318	0.2
159.09200	0.3
163.03897	1.8
164.04251	0.7
167.23163	0.2
169.13356	0.6
173.12857	0.4
181.12189	1.1
182.12613	1.0
183.13734	0.4
185.09268	0.8
188.07130	0.5
205.09747	0.2
229.15445	0.3
233.16438	0.6
246.14479	0.9
261.16080	0.7
276.17206	0.3
290.15994	1.6
294.14532	0.3
304.16544	0.3
308.09003	0.3
308.25970	0.8
313.18744	0.5
326.23294	0.5
326.26849	4.4
326.30600	0.3
327.27209	0.3
344.24182	0.6
344.27939	8.5
345.28360	0.4
445.40714	0.3
488.32629	1.3
506.33356	52.6
507.33661	4.2
518.63220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
56.05027	0.9
57.03440	2.3
57.07080	3.6
61.02904	1.1
67.05507	3.2
69.03419	4.8
69.07065	2.6
70.06587	3.1
70.47517	0.6
70.47844	1.1
71.04998	0.7
71.08634	1.3
71.22624	0.5
72.08154	100.0
73.02918	0.7
73.08499	1.1
79.05482	1.4
81.03420	2.0
81.07044	4.4
81.95062	0.6
83.08630	2.1
84.08143	1.0
85.02908	7.4
85.10182	2.0
86.09714	2.2
87.04469	1.1
91.05511	0.9
92.49758	0.7
93.07037	1.5
95.08593	5.5
97.02888	2.7
97.06525	2.1
97.10154	1.0
105.03433	0.6
105.06994	1.0
107.08584	1.4
109.02931	0.8
109.10136	1.5
121.10172	1.3
124.11263	2.7
127.03914	1.0
147.11647	0.8
169.15930	2.0
185.89326	0.6
206.14316	0.5
308.29440	3.5
326.30508	12.5
327.30792	0.7
344.31583	40.5
345.31989	2.7
356.66309	0.7
460.57831	0.6
469.11212	0.8
488.35962	1.3
506.36893	74.2
507.37546	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	506.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19296	0.3
53.03934	1.4
55.01862	1.1
55.05513	3.8
56.05015	0.6
57.03194	0.3
57.03439	3.6
57.07077	0.6
58.06602	3.4
58.96358	0.3
59.04980	0.4
61.02935	2.2
61.57225	0.3
65.03941	0.4
67.05507	6.2
69.01547	0.9
69.01949	2.3
69.03426	5.9
69.07070	6.1
70.06582	3.8
71.01337	0.5
71.04992	1.5
71.07389	0.5
72.08154	23.7
73.02914	1.2
79.05491	4.6
81.03436	2.1
81.07055	16.6
82.07398	0.3
83.04987	0.4
83.08609	5.8
84.04485	0.4
84.08137	3.5
85.02905	10.1
85.06539	0.8
85.08922	2.2
86.09702	10.4
87.04475	1.8
89.51772	0.3
91.03957	0.6
91.05474	1.1
93.07040	4.4
95.04961	0.5
95.08604	12.3
96.08096	0.3
97.02885	3.3
97.06547	1.8
97.10174	1.4
98.09689	2.1
99.04458	1.0
100.11257	0.5
101.02386	0.5
103.03945	0.8
103.05494	0.4
105.03381	0.5
105.07044	1.3
107.08610	3.4
109.02867	1.7
109.10160	2.5
110.07143	0.6
111.08085	1.4
114.09172	1.4
119.08568	1.1
120.08104	5.0
121.10180	1.8
123.08066	0.5
123.11736	1.0
124.11218	0.7
125.09675	0.3
125.69914	0.3
127.03909	2.6
128.10732	1.4
130.10938	0.4
133.10132	1.0
135.11725	0.8
140.14302	0.4
145.04962	0.8
147.11768	0.8
149.13258	3.6
161.13229	0.5
163.14763	0.4
164.06972	0.3
167.14323	1.2
175.14833	0.6
196.16908	0.7
201.12415	1.3
213.15987	0.3
223.20718	0.3
227.17503	1.6
229.11925	0.9
233.16496	1.0
245.22702	0.9
255.17120	1.0
263.23709	2.6
279.17102	0.9
287.29517	0.3
308.29456	18.7
309.29898	1.1
318.18039	0.6
326.30505	28.8
327.30804	2.0
344.31580	37.9
345.31891	2.0
383.97073	0.4
386.32709	0.5
444.23285	0.5
488.35834	18.9
489.36108	1.7
506.22644	2.8
506.36877	100.0
507.37231	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	507.1839
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
55.05529	0.4
56.05024	1.6
56.96564	0.6
57.29189	0.5
61.02910	0.6
69.03432	1.4
69.07050	0.4
70.06597	8.2
71.28297	0.7
72.08164	2.6
74.06086	0.4
81.03417	0.5
83.06110	1.1
84.04499	2.1
84.08147	4.5
85.02901	4.3
86.03562	1.0
86.09717	2.2
93.04511	0.5
95.06119	1.2
97.02892	1.5
98.06050	0.6
103.05466	0.5
109.02866	0.4
110.07175	5.8
111.05598	2.4
112.08717	1.6
115.08672	0.9
119.04916	0.9
120.04479	1.7
120.08083	3.4
124.03954	0.9
126.06637	1.1
127.03941	0.7
129.06651	0.5
129.10231	3.0
132.04454	14.3
132.08052	0.6
134.06015	3.0
135.04198	0.4
136.07576	1.6
137.04646	1.5
140.08154	0.7
145.04959	1.7
147.04436	1.6
148.03940	0.9
150.05539	1.3
151.06155	6.9
159.07545	0.5
163.03934	1.1
163.06050	0.8
164.04254	0.5
165.05482	0.5
169.09676	0.6
172.05124	0.5
194.06715	2.9
195.07614	0.6
202.09807	0.7
211.11859	1.2
218.64049	0.5
230.09326	1.1
231.07684	1.0
232.10721	2.1
242.09206	3.8
257.10385	3.5
259.09232	0.7
259.11880	7.7
277.12939	0.5
284.11475	3.9
295.35757	0.4
300.42291	0.4
302.12488	11.2
303.14230	1.0
327.11807	2.9
345.13049	100.0
346.13232	5.3
387.23392	1.3
478.81033	0.5
507.20642	1.1
507.26868	2.9
508.28229	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	507.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42714	4.6
60.60817	4.2
69.03502	9.1
69.03854	47.7
70.06583	18.9
70.48772	4.4
72.08109	5.0
81.07042	7.0
84.08116	7.1
84.74667	4.4
85.02892	6.6
86.09713	10.4
88.76783	4.7
93.07024	5.1
95.08624	10.8
107.08600	6.4
110.07160	6.9
115.71119	5.2
120.08109	5.8
121.10173	9.7
123.11787	4.6
129.10271	6.9
132.48999	5.2
137.05969	10.2
137.09601	5.6
139.11172	9.8
140.09206	4.3
162.06752	5.5
165.12767	4.6
183.13805	100.0
301.26825	6.5
332.40732	5.1
397.33435	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	507.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.03185	0.5
57.03444	4.8
57.06803	0.8
57.07080	15.7
67.05503	4.2
69.07034	4.7
71.08637	11.4
76.65514	0.3
78.73418	0.3
79.05514	0.4
81.07062	4.6
83.08621	3.3
85.09713	0.6
85.10180	5.6
89.06030	1.1
95.08608	6.2
97.10165	1.3
98.23476	0.6
103.07588	0.6
109.10145	2.4
111.11740	0.5
115.03692	1.4
120.96610	0.5
123.11713	1.0
137.13350	0.4
156.97438	0.4
159.23325	0.4
176.99252	4.8
195.00308	100.0
196.00642	0.8
213.00061	0.9
239.23796	0.7
244.31705	0.4
257.24686	0.5
269.03955	1.1
313.27353	23.9
314.27740	1.3
326.58209	0.4
415.22189	0.9
424.45160	0.4
489.25446	0.5
507.19754	0.5
507.26944	10.0
508.27188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.05507	12.5
57.03427	8.7
60.08153	6.1
60.52322	2.6
67.05505	51.8
69.07072	14.1
69.43358	13.1
70.06576	2.7
72.08113	2.9
79.05495	26.9
81.07056	48.6
83.08631	6.7
86.09710	13.1
91.05479	20.0
93.07040	40.5
95.08608	37.2
97.06525	3.8
97.10180	4.0
98.98466	62.4
104.10739	27.0
104.28786	2.6
105.07046	12.4
107.08594	20.9
109.10146	17.2
111.08067	3.6
117.07043	5.3
119.08568	12.3
121.10136	16.1
123.11697	6.5
125.00005	10.3
131.08559	8.4
133.10132	12.3
135.11690	10.4
145.10117	8.3
147.11659	4.8
149.13246	9.6
155.01062	17.5
156.26665	2.6
159.11690	3.4
161.13240	4.9
163.14775	4.3
168.57918	2.7
173.02164	6.5
173.13261	5.4
175.14746	4.1
184.07350	31.3
207.85284	3.3
243.21077	6.5
247.05717	5.1
261.22113	14.7
290.99133	3.0
317.24799	10.8
335.25797	100.0
336.26074	6.9
471.24646	3.8
508.34781	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	508.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01873	0.3
56.05044	0.5
57.03447	0.4
61.02917	1.0
65.03926	0.7
69.03431	1.6
69.18977	0.8
69.19400	0.9
70.06609	1.3
71.04972	0.3
72.08157	0.5
74.06081	0.8
77.33278	0.3
81.03417	0.7
84.08147	9.2
85.02903	6.0
86.09690	1.8
91.03981	0.3
91.05479	6.4
97.02896	2.4
98.23312	0.5
99.04474	0.3
103.59724	0.2
109.02884	0.5
119.04945	18.4
120.05296	0.6
120.08121	1.0
123.04399	0.7
123.70020	0.3
124.38154	0.2
127.03946	0.9
129.10236	5.4
140.96524	0.3
145.04918	1.5
147.04408	100.0
148.04755	2.3
152.14349	0.3
163.06139	0.3
165.05478	24.3
166.05853	0.5
166.08694	0.5
180.08702	1.4
197.16536	0.3
213.09177	0.4
214.19083	0.3
242.18710	0.8
264.21240	0.3
267.13434	1.1
347.12170	0.5
387.52179	0.3
508.31262	3.1
509.17587	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	508.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02856	0.6
63.95160	0.7
70.06599	2.8
71.23023	1.5
78.47587	0.6
79.05498	1.1
84.08160	1.3
91.05492	1.2
93.07047	1.0
103.05480	9.3
107.04958	1.6
120.08113	100.0
121.08443	2.9
131.04930	2.4
136.07587	3.1
149.05956	2.1
163.03938	3.2
166.08649	43.3
167.08934	1.0
169.16699	0.8
179.52628	0.8
181.05023	1.2
181.09644	0.7
201.16074	0.6
217.11870	2.7
218.53130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06299	0.4
53.03826	0.5
53.04046	0.6
55.01750	0.6
55.01984	0.9
55.05367	0.7
55.05645	1.1
56.04918	0.6
56.05156	1.0
57.03275	0.9
57.03577	1.2
58.06480	0.6
58.06736	0.9
61.02770	1.0
61.03090	1.1
67.05314	1.8
67.05718	1.6
67.24581	0.4
69.03226	3.2
69.03657	2.5
69.06873	0.9
69.07270	0.8
69.16251	3.6
70.06394	4.6
70.06827	3.7
70.83642	0.4
71.04838	0.8
71.05174	0.6
72.07951	2.2
72.08407	1.7
73.02718	1.0
73.03108	0.9
73.87566	0.4
74.05916	0.7
74.06267	0.6
74.09487	0.4
77.63126	0.4
79.05283	1.3
79.05775	0.8
80.04864	0.8
80.05274	0.7
81.03207	1.6
81.03708	1.0
81.06831	2.3
81.07363	1.2
82.06357	1.5
82.06879	1.0
83.07143	2.1
83.07683	0.9
83.08466	0.5
84.04330	0.7
84.04762	0.5
84.07915	2.1
84.08471	0.9
85.02682	6.4
85.03254	3.1
86.09483	3.8
86.10072	1.8
87.04288	1.0
88.03819	0.6
91.05248	2.0
91.05862	0.7
93.06807	1.9
93.07458	0.8
94.06325	3.6
94.06985	1.3
95.04745	1.4
95.07173	0.5
95.08366	1.5
96.07881	1.7
96.08547	0.7
96.54260	0.4
97.02641	3.4
97.03336	1.2
97.06353	0.4
98.05866	0.6
98.06406	0.4
98.09496	0.8
98.23383	1.0
99.04225	1.2
99.04819	0.6
100.69051	0.4
103.03742	1.0
103.04342	0.5
105.06783	1.7
107.04778	0.4
107.08333	1.5
108.07845	3.1
108.08664	0.8
109.02618	1.6
109.06317	0.9
109.06976	0.5
109.08641	2.5
109.09431	0.8
109.09930	1.4
110.06877	0.5
110.09418	5.0
110.10256	1.2
112.07341	3.0
114.08985	0.7
115.08500	0.4
119.08325	0.6
120.07826	5.4
120.08771	1.2
121.06254	0.4
121.09932	0.8
122.09403	3.4
122.10356	0.7
123.04153	11.4
123.05151	2.2
123.07890	0.8
124.10993	1.1
124.11823	0.9
125.09407	0.8
126.08904	0.8
127.03619	2.7
127.09657	9.4
127.10709	1.8
128.10452	1.2
129.09953	1.9
130.04713	0.4
133.09900	0.9
133.10777	0.5
134.09351	1.2
134.10280	0.5
135.11441	0.6
136.07294	1.4
136.10918	2.1
137.32063	0.4
140.10408	2.6
145.04744	1.0
145.09901	0.5
147.07503	0.9
147.11391	0.6
148.10930	1.3
149.05769	0.8
149.09363	0.7
149.10443	0.5
150.12572	1.0
152.10411	3.5
152.49565	0.5
153.11189	1.5
163.07307	0.7
165.08809	2.4
166.11969	3.8
169.13156	1.0
171.11035	0.5
177.05124	0.6
180.13522	2.5
181.11961	0.5
187.14281	1.0
192.27731	0.5
200.13690	0.6
203.10387	0.5
204.17113	1.8
207.13524	0.5
208.16820	0.6
215.13487	0.8
222.18523	8.4
225.14572	1.2
235.36719	0.4
275.19946	0.8
284.25641	0.7
288.19562	0.9
292.22568	1.1
294.14359	0.9
295.16144	0.5
310.23941	2.0
310.26877	0.5
312.19238	1.1
326.20950	0.8
328.15530	1.7
328.22205	13.1
329.22510	1.0
342.11453	0.5
345.22507	0.5
346.23526	64.9
347.23907	5.5
356.59647	0.4
385.71390	0.5
388.24835	0.6
464.65247	0.5
472.28934	0.8
490.29752	1.1
508.29037	100.0
509.29431	10.5
524.68536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01869	4.9
55.05514	23.8
55.90151	4.2
57.03433	4.1
60.29575	3.3
61.39709	3.7
65.03947	4.2
67.05508	49.4
69.03431	8.1
69.07073	25.7
70.06244	3.9
70.06573	21.1
70.67512	6.5
70.67849	4.5
71.05006	5.6
72.08159	9.8
76.99495	3.6
79.05492	34.2
81.03440	4.0
81.07056	72.4
83.04987	7.4
83.08640	18.6
84.08137	19.3
85.02887	20.6
85.06557	5.3
86.09708	9.8
91.05482	39.6
93.07041	52.5
95.04963	7.6
95.08599	27.5
96.08218	3.4
97.02885	7.7
97.06532	13.4
97.10168	11.8
99.04482	4.1
100.11264	6.1
105.07037	30.1
107.04951	8.3
107.08598	41.2
108.08076	3.9
109.06528	5.3
109.10187	12.2
110.07138	4.0
111.08110	8.3
115.08733	3.3
116.07108	4.3
117.07021	12.6
119.08587	25.1
120.08103	11.5
121.06544	5.4
121.10132	16.7
123.04433	5.7
123.08070	5.0
123.11716	6.3
125.09637	9.2
127.03913	6.6
129.07013	3.9
129.10236	13.3
131.08565	12.2
133.10127	24.7
135.08047	8.7
135.11691	16.8
137.05991	3.5
143.08528	3.8
145.10123	11.0
147.11647	10.5
149.09627	12.2
149.13258	26.8
151.11240	3.7
155.06012	4.5
159.11668	21.4
163.11172	7.7
165.09134	7.9
173.13231	4.6
177.12701	10.4
182.15485	4.4
185.16582	4.0
189.11240	8.7
195.13799	65.2
213.14861	62.5
217.15643	4.3
218.41920	3.4
235.16994	11.9
239.17986	5.0
249.14925	5.8
257.19006	7.2
275.20087	100.0
276.20401	7.2
281.60565	3.6
293.21103	16.4
328.22684	5.8
338.41629	3.5
394.26651	4.7
435.25110	3.4
508.26373	13.0
508.32849	7.6
509.29166	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14441	4.2
55.05521	10.6
67.05497	22.3
69.07069	23.1
69.58651	22.0
70.06599	12.6
71.04997	5.3
72.08144	4.1
79.05495	18.5
81.07055	29.6
83.05013	6.0
83.08640	4.8
84.08154	17.3
85.02910	30.4
85.06554	7.1
87.84230	4.1
91.05486	12.8
93.07043	30.0
95.04985	5.6
95.08612	20.2
97.06516	11.8
105.07040	8.1
106.67294	5.0
107.08606	18.2
108.08147	7.0
108.08878	4.4
109.10181	19.2
111.08089	6.6
117.06998	5.3
119.08584	17.7
120.08108	5.5
121.06549	7.7
121.10168	5.6
123.04522	4.8
123.11715	5.7
125.09609	6.8
129.10225	6.7
133.10146	15.5
135.08073	7.3
135.11720	24.3
137.09615	8.5
145.10097	6.7
149.09647	5.0
149.13313	9.6
151.11157	5.0
159.11761	6.3
163.03891	7.7
165.09122	100.0
171.11639	4.5
183.32767	5.0
195.13821	19.4
213.14851	66.1
217.14354	8.8
231.15964	6.3
240.74358	4.5
249.10207	4.8
265.21658	6.6
267.11224	6.1
274.91867	4.3
275.20053	29.1
293.21112	61.4
294.21497	5.4
311.21848	4.5
325.11856	9.3
327.13367	7.2
328.22693	18.1
346.23792	6.6
353.11371	6.3
385.13950	17.1
386.14255	6.9
473.32709	7.6
508.26764	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04188	1.5
55.05509	1.7
58.06614	2.3
60.08169	15.9
67.05509	2.7
68.67863	1.7
68.93046	1.7
69.07059	2.6
71.07379	8.0
76.44405	1.7
80.94833	1.7
81.07035	1.9
83.08619	2.0
86.09710	46.7
94.99281	1.6
97.10190	2.4
98.98466	4.6
104.02695	1.6
104.10754	100.0
125.00000	24.2
134.56000	1.5
184.07353	82.8
226.32362	1.6
227.72307	1.9
256.57492	1.7
325.62073	1.9
490.32867	6.2
508.28052	2.0
508.34079	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	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
55.67836	0.2
56.05034	0.6
57.03424	0.3
57.78712	0.2
58.06619	0.5
60.08167	6.6
67.05496	0.5
69.07079	0.3
70.06593	0.2
71.07374	3.2
71.30400	0.2
81.07074	0.4
83.08638	0.2
84.69040	0.2
86.09707	30.7
87.10042	0.6
93.07032	0.3
95.08589	0.5
96.70989	0.2
97.10168	0.2
98.98469	3.6
102.44704	0.2
104.10748	2.9
125.00005	21.5
126.00237	0.2
184.07344	100.0
185.07646	1.3
260.65079	0.3
361.27066	0.3
385.77322	0.2
490.32654	0.8
508.34167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75539	6.5
55.05513	49.6
55.52283	7.8
55.57922	7.9
56.05851	11.9
57.03447	13.8
57.07072	23.4
67.05500	37.3
69.07074	48.3
71.07730	8.9
71.08072	12.1
71.08639	11.5
79.05486	16.9
81.07040	38.3
83.08624	34.0
84.67607	7.9
91.05521	8.6
93.07060	22.3
95.08616	31.0
95.55232	7.0
97.06522	7.7
97.10178	25.9
98.98471	17.7
105.07049	11.0
107.08614	17.0
109.10175	23.3
119.08596	11.2
121.10130	11.3
135.11684	12.1
149.13159	9.0
163.14720	8.9
170.06027	7.9
175.52612	7.6
183.75584	8.7
184.07301	8.5
186.23273	7.4
195.00305	100.0
196.00659	17.7
197.00688	49.4
219.21213	14.1
223.66599	8.9
237.22133	31.7
255.23225	19.3
295.61813	7.9
311.25851	35.3
312.26080	12.2
314.26852	11.6
337.27487	43.3
340.06369	7.5
508.25845	17.8
513.43036	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	508.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49874	0.8
53.19984	0.9
55.05514	2.8
57.07083	32.9
69.07069	3.4
71.08640	28.8
71.08957	0.5
73.06552	2.8
83.08645	4.0
83.09060	0.8
85.09694	0.8
85.10188	16.6
87.04473	2.4
89.06042	100.0
97.10185	5.4
98.22622	2.8
99.11730	3.7
107.07082	3.5
111.11745	3.7
113.13287	1.6
117.09141	2.1
127.14848	1.9
129.11261	0.8
130.08670	1.9
133.08621	52.9
134.08928	1.1
151.09691	3.7
169.19505	1.3
177.11224	10.1
195.12297	3.4
203.57614	1.0
221.14011	1.0
239.14931	19.1
240.15308	1.2
253.28998	0.9
341.34222	2.7
491.43069	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	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04090	2.9
55.05510	22.3
57.03425	5.7
57.07057	3.9
60.08162	5.4
67.05505	36.1
69.07062	16.1
79.05470	8.9
81.07061	39.0
83.08619	12.8
85.31403	2.9
91.05482	8.6
93.07049	13.6
95.08623	32.7
95.64893	3.1
97.10162	7.6
98.98461	60.1
104.10724	28.5
105.07049	4.5
107.08577	6.5
109.10110	6.3
118.12307	11.0
119.08574	4.4
121.10153	9.4
123.11699	3.3
125.00000	3.4
133.10150	6.5
139.63957	3.5
144.04352	3.2
155.01028	6.7
172.95215	3.4
173.02087	8.0
178.12523	3.1
184.07330	12.1
198.08914	8.8
263.23578	6.0
311.25809	5.9
337.27344	100.0
338.27771	4.3
348.25122	3.8
473.26163	5.0
509.32858	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	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.5
57.03429	10.7
64.49725	3.5
67.05507	28.4
69.07063	11.4
69.18295	27.0
69.22430	3.4
79.05489	10.9
81.07049	30.7
83.08624	8.4
91.05455	3.7
92.57245	4.2
93.07039	9.8
94.67732	3.5
95.08601	26.8
97.10167	5.2
98.98470	58.3
105.07089	4.9
107.08587	9.8
109.10161	7.2
121.10194	4.5
121.43601	3.2
123.11674	4.8
155.01013	9.7
173.02104	10.3
229.91774	5.0
337.27356	100.0
338.27811	7.2
392.01532	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01865	4.4
55.05510	6.8
57.03424	2.1
58.06576	1.0
62.06087	1.0
63.47571	0.7
65.03930	1.1
67.05502	9.2
68.05019	2.8
69.03420	1.5
69.07066	8.9
69.08521	0.7
69.14547	3.5
69.14951	1.9
70.06592	5.5
72.08156	1.3
79.05490	9.5
80.05045	1.2
81.05792	0.8
81.07056	28.1
82.06575	3.5
83.04977	2.7
83.08611	1.7
84.08129	3.2
85.02914	2.5
86.09714	1.2
89.03897	2.3
91.05473	3.6
93.07039	8.6
94.06554	3.2
95.04955	2.9
95.08600	7.0
96.08129	14.9
97.06488	1.3
98.09727	1.6
103.05467	0.8
105.07018	3.0
107.04954	1.9
107.08606	4.3
108.08125	5.9
109.06510	9.5
109.08936	1.8
109.10157	4.5
110.07140	2.2
110.09698	4.4
110.10387	0.7
111.04440	17.9
111.08111	1.6
117.03385	4.3
118.42831	0.7
119.04789	0.7
119.08578	4.0
120.08092	1.3
121.10142	4.9
122.09650	2.9
123.04430	28.1
123.08064	1.5
123.11691	1.7
125.05974	3.9
127.03893	0.9
127.09929	1.2
127.69289	0.7
131.08572	1.5
133.10121	4.7
135.04410	7.6
135.08031	3.7
135.11650	3.8
137.05971	100.0
137.13246	2.6
138.06322	3.2
140.10722	0.9
145.02808	5.3
145.04951	1.0
145.10132	1.8
147.08046	1.8
147.11676	7.8
149.05940	1.3
149.09621	3.7
149.13243	1.9
151.07552	2.4
151.11179	1.2
152.14395	1.0
157.10144	1.4
161.09636	6.4
161.13284	2.6
163.03897	31.6
163.07489	1.4
163.11188	3.3
165.09067	3.5
165.12662	0.9
171.11668	1.0
173.13222	0.9
175.11182	5.3
175.14859	1.0
179.10660	2.4
181.12126	1.1
185.13225	1.2
193.12294	1.5
203.17923	7.1
207.13818	1.0
213.16371	2.4
221.19107	1.9
223.14825	1.1
231.17462	8.1
232.17719	1.2
236.72285	0.9
241.15771	1.4
247.29274	0.8
248.89772	0.7
249.18530	6.9
277.17966	59.2
278.18408	2.7
295.19022	10.4
303.65381	0.7
314.21057	1.3
320.22192	2.7
328.22568	4.0
330.24249	92.2
331.24542	4.8
348.25290	22.1
349.19870	3.2
349.25623	1.5
351.21646	58.0
352.21964	3.4
369.22714	23.5
370.23160	2.4
395.27145	1.3
403.17975	0.7
431.18198	2.0
492.23615	2.6
510.28540	79.5
511.28549	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	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42898	4.2
55.01884	6.0
55.05507	12.7
56.05043	5.1
60.04548	5.9
67.05498	6.6
67.86171	3.4
69.03425	17.1
69.07073	7.0
70.06594	84.1
71.04992	12.1
71.06935	5.0
71.29761	5.2
72.08165	22.8
73.02898	5.2
79.05515	3.8
81.03447	8.7
81.07068	11.1
82.06574	4.1
83.04965	4.3
83.08612	8.9
84.04488	4.4
84.08139	19.0
85.02904	41.6
85.06551	74.8
86.09708	78.7
87.10030	10.0
88.03997	4.4
91.05486	13.3
93.07040	33.3
95.04959	7.7
95.08589	5.4
97.02901	17.1
97.06680	3.4
97.10165	15.4
99.04458	21.0
103.03950	43.5
104.05304	3.8
105.07059	8.6
107.08585	7.4
109.02886	12.9
109.10169	5.3
110.07184	23.8
111.08107	13.0
113.06007	49.0
117.06985	4.1
119.04953	5.5
119.08617	3.8
120.08115	27.4
121.08421	4.3
121.10140	3.7
123.11745	5.9
125.09633	57.3
127.03930	52.9
129.10240	11.2
130.71199	4.0
133.10129	10.0
136.07581	45.2
137.07938	13.8
143.10670	35.0
145.04955	21.2
146.03059	3.5
151.11214	15.6
155.11749	4.3
156.07614	4.6
163.06033	13.9
169.12239	100.0
169.13600	7.3
183.14896	5.0
187.11017	4.5
187.11700	4.3
187.13292	27.2
200.34363	4.5
201.12276	5.1
205.12283	17.1
211.14442	5.7
213.12389	12.0
224.20044	4.4
226.04942	4.3
229.15405	6.0
235.12039	5.5
252.10588	6.9
280.10229	6.0
282.15137	7.4
295.84674	3.8
330.24396	10.7
348.24850	5.3
348.27136	3.3
395.22733	7.6
490.34232	3.9
510.23657	14.9
510.31601	21.5
511.24573	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	510.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13634	0.5
53.03936	1.2
55.01856	2.7
55.05511	6.2
56.05012	1.1
57.03421	1.1
57.07046	0.9
58.06577	0.7
62.06070	1.0
65.03921	0.7
67.05499	10.0
68.05006	2.4
69.03413	1.3
69.07066	8.3
70.06578	5.8
71.07558	1.0
71.08607	0.6
72.08124	1.4
76.12525	0.5
79.05482	7.7
80.05014	1.1
81.03423	0.7
81.05768	1.5
81.06587	1.1
81.07053	19.9
82.06577	3.4
83.04966	1.3
83.08612	1.6
84.08131	3.1
85.02879	2.1
86.09693	1.2
89.03918	3.5
91.05468	2.9
93.07046	6.1
94.06560	4.2
94.07079	0.7
95.04952	2.2
95.07314	0.9
95.08597	5.6
96.08122	14.9
96.08755	0.7
97.02882	0.8
97.06499	1.2
97.10167	0.6
98.09666	1.7
99.04482	0.5
105.07016	2.7
107.04930	1.5
107.07364	0.8
107.08585	4.0
108.08118	5.9
109.06506	6.1
109.08903	1.4
109.10111	3.4
110.07143	1.6
110.09682	4.9
111.04430	10.5
111.08084	1.2
117.03353	4.0
117.07047	0.7
119.08562	2.0
120.08094	0.9
121.06512	0.8
121.10144	1.7
122.09682	3.5
123.04422	30.7
123.08007	0.7
123.10422	1.1
123.11708	0.8
124.08366	0.6
124.11223	0.8
125.05954	3.2
127.03893	1.2
127.09923	0.6
131.08571	1.7
132.61729	0.6
133.10086	2.8
135.04413	7.9
135.08061	1.7
135.11662	2.6
136.11269	0.8
137.05965	63.2
137.13202	1.7
138.06285	2.0
139.07506	0.7
140.10640	1.0
143.08566	0.8
145.02834	6.4
145.04900	0.8
145.10066	0.9
147.08047	1.1
147.11678	4.7
149.05992	1.3
149.09598	2.9
149.13272	1.4
150.12738	0.7
151.07518	1.8
151.11171	0.7
152.14314	1.5
157.10120	1.2
159.08064	0.7
161.09630	3.7
161.13246	1.1
163.03896	30.9
163.07553	1.5
163.11191	2.6
163.14821	0.9
164.04257	1.1
164.14250	0.7
165.09077	1.6
171.11667	0.6
175.11197	3.1
175.14722	0.8
179.10591	1.3
181.10143	0.8
181.12239	0.8
193.12172	1.1
203.17928	3.7
213.16359	1.4
220.20563	0.6
221.18958	1.3
224.19994	0.9
231.17441	4.9
249.18416	3.7
255.20782	0.6
264.76376	0.6
276.34683	0.5
277.17963	34.7
278.18268	2.6
295.19022	7.3
302.21246	1.0
320.22226	1.6
328.22656	3.9
330.24240	100.0
331.24554	6.4
348.25305	21.5
348.29562	0.8
349.19894	4.7
349.25665	1.4
351.21613	36.7
352.21786	2.9
369.22672	13.8
431.18317	0.7
474.23392	0.7
492.23532	0.8
510.28482	80.3
511.25177	3.7
511.28900	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	510.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40317	0.6
53.03935	2.2
54.32626	0.6
55.01871	1.0
55.05507	2.9
57.03436	3.6
57.07080	5.2
61.02932	5.5
63.07084	0.7
67.05504	11.5
69.03432	9.2
69.07068	27.0
69.17912	3.6
69.18327	1.5
71.04997	1.8
73.02910	1.8
79.05502	1.9
81.03419	4.9
81.07060	26.8
83.08621	7.2
85.02908	60.6
86.03235	0.9
87.04485	1.6
91.03956	2.3
93.07050	1.6
95.08609	100.0
96.08947	1.5
97.02894	15.7
98.23455	1.2
99.04446	1.9
100.06682	0.6
100.11243	2.7
103.03952	0.8
106.62784	0.8
109.02879	4.5
109.10159	7.6
112.04757	0.7
115.03939	1.4
120.08027	1.0
123.11713	1.9
125.13273	36.2
126.13601	0.8
127.03916	14.9
145.04955	23.1
145.74568	0.8
151.14838	20.7
160.97528	0.7
163.06024	9.1
169.15883	60.3
170.16219	1.2
181.16020	0.7
182.15367	0.8
210.14973	1.6
295.19064	1.7
325.11392	1.2
334.58737	0.8
510.89536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3064
Annotation	Veracevine
Peak:m/z	Relative Intensity
52.80214	0.3
53.03943	0.4
55.01856	0.5
55.05497	0.7
56.05005	0.6
57.03411	1.5
61.02916	1.7
67.05510	1.5
68.04994	1.1
69.03435	4.0
69.07040	1.4
69.26640	2.1
70.06593	2.1
71.04989	0.4
72.08135	0.5
73.02924	1.7
79.05466	1.4
80.05004	0.5
81.03388	1.2
81.07025	1.3
82.06587	2.3
83.07379	2.3
84.08137	0.7
85.02444	0.5
85.02908	6.2
87.04441	1.4
91.03931	0.4
91.05450	0.6
93.07070	1.9
94.06577	2.5
94.85030	0.3
95.04951	0.6
95.07327	0.4
95.08559	0.5
96.08142	4.6
97.02917	2.5
98.09666	0.5
98.22559	0.4
99.04449	0.7
104.43180	0.4
104.43832	0.4
105.07014	0.7
107.07304	0.5
107.08553	0.6
108.08104	2.2
109.02852	1.0
109.08894	1.7
110.09696	2.8
112.07623	3.6
114.09103	0.3
115.22698	0.3
120.08102	0.7
122.09676	5.7
123.04436	9.1
123.10366	0.4
126.09131	0.4
127.03872	1.5
127.04736	0.4
127.09937	13.0
128.10706	0.6
135.11678	0.3
136.11182	0.8
137.05972	0.3
140.10709	11.4
150.12724	0.5
154.12241	0.7
163.07561	0.5
166.11293	0.3
167.76863	0.4
169.16345	0.3
172.30853	0.3
178.15959	0.3
182.15372	0.7
192.17412	0.4
196.17009	0.4
204.20500	0.3
204.22794	0.3
206.19034	5.9
210.18529	0.5
224.20084	9.4
290.21063	0.6
314.21078	1.9
314.24460	0.3
328.22717	3.7
329.23227	0.3
330.24274	28.0
331.24725	1.8
347.24481	1.0
348.25333	70.8
349.25735	3.7
372.25333	0.5
390.26266	1.4
492.30072	0.5
510.30621	100.0
511.30960	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	510.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.9
56.35145	6.3
66.68767	6.1
67.05508	32.2
69.03440	12.6
69.07069	19.5
70.06590	18.9
72.08157	9.6
76.65176	7.0
79.05495	19.7
81.03416	10.1
81.07056	52.2
83.04993	10.6
83.08598	11.9
84.08148	8.9
85.02923	20.2
86.09721	14.3
91.05464	15.0
93.07069	21.7
95.04973	73.3
95.08605	18.8
97.02880	11.0
97.06501	8.8
99.08077	8.7
102.83667	6.4
103.03941	9.4
105.07013	11.5
107.08591	22.6
109.02919	9.9
109.06480	10.3
110.07181	19.2
111.04432	9.0
111.08092	7.5
112.07613	7.6
119.03928	5.9
119.08554	8.4
120.08125	10.3
121.10175	13.1
123.04446	16.2
127.03925	16.0
127.09900	8.2
131.08565	10.1
133.10162	16.2
135.04475	7.7
135.11707	15.5
137.05952	61.1
139.11018	6.8
140.10704	8.4
149.13271	17.3
150.09155	9.1
151.11208	7.9
153.05638	6.8
157.10155	7.0
159.11728	8.9
163.03951	15.4
177.12781	8.9
195.13800	44.5
213.14838	52.0
249.18552	7.8
277.17999	40.2
277.21573	12.9
295.22650	10.3
330.24265	84.4
348.25302	77.5
349.19839	41.6
351.21664	29.0
431.18253	22.6
453.19760	7.3
510.19189	9.3
510.30051	100.0
511.24942	24.7
511.31812	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	510.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05036	1.4
57.03444	0.7
57.07081	3.5
58.06583	1.6
59.07389	0.3
60.08166	17.8
67.05493	0.6
69.07079	0.5
69.59209	0.5
69.59610	1.1
70.06586	0.5
71.07377	7.6
71.08633	2.3
81.07064	1.0
83.08613	0.6
85.10170	1.5
86.09708	50.3
86.72388	0.3
87.10040	0.8
89.06046	0.3
93.97616	0.3
95.08604	1.5
96.08939	0.3
97.10185	0.5
98.98472	3.9
104.10745	100.0
105.11086	1.9
109.10179	0.7
125.00005	28.8
143.01123	0.6
163.01549	0.4
184.07344	97.5
185.07678	1.4
201.18245	0.3
206.51994	0.3
258.11044	1.2
276.60861	0.3
313.27377	1.3
327.29028	1.5
433.27277	0.9
492.34509	9.0
493.34918	0.4
510.35559	22.0
511.16312	0.4
511.35886	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	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44683	6.6
55.05516	12.7
57.07077	81.6
57.55087	6.8
60.08156	20.9
62.18340	7.2
63.18655	7.0
67.05501	23.6
69.03412	9.1
69.07058	20.4
70.02420	22.0
70.02771	15.0
71.07388	7.7
71.08636	67.8
77.62602	7.6
81.07065	41.8
83.08622	23.0
85.02911	24.2
85.10180	34.2
86.09721	42.0
95.08604	64.4
97.02905	13.9
97.10159	12.8
98.22678	10.7
104.10749	100.0
109.10141	21.8
114.14153	8.4
115.21534	6.9
119.54592	7.6
123.11745	13.0
125.00002	29.8
127.03885	15.8
141.53722	8.7
149.11946	7.4
184.07333	75.3
239.18741	8.4
239.23705	75.6
313.27396	92.9
314.27716	9.4
331.28308	8.6
383.27979	18.1
401.29019	37.5
475.74304	8.4
492.34335	8.5
510.35400	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03946	2.3
55.05523	6.6
55.05749	1.1
57.03441	8.7
57.07075	2.0
62.56146	0.8
65.03934	1.7
67.05508	41.2
69.03449	0.8
69.07071	8.9
71.05003	1.6
71.08630	1.6
79.05499	13.7
81.07059	22.4
83.08619	2.1
88.48681	0.8
89.06038	2.0
91.05478	7.1
93.07045	18.4
95.04998	1.6
95.08610	100.0
96.08952	3.1
97.06514	4.3
98.23399	2.3
99.08136	0.9
105.07031	6.4
107.08598	7.4
109.10174	7.1
113.09648	0.8
117.07001	1.8
119.08577	3.3
121.10140	6.2
123.08086	2.5
123.11742	2.0
128.80165	0.9
131.08627	2.1
133.10156	3.8
135.11688	4.7
137.13278	1.1
141.09100	3.8
145.10143	1.8
147.11671	2.2
149.13286	3.0
159.10170	11.6
159.11577	1.5
161.13283	1.7
163.14850	1.2
173.13342	1.6
175.14909	1.2
183.54445	0.9
213.11177	1.1
215.12793	52.9
216.13110	1.7
232.65494	0.8
243.21095	2.6
261.22086	8.0
278.76648	0.8
317.24759	1.9
335.25793	42.8
336.26178	3.1
348.25317	1.0
366.58365	1.1
391.25433	0.9
401.37390	0.9
475.34204	15.6
476.34595	1.6
510.29587	1.2
510.36157	1.2
510.42813	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	510.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36841	2.0
53.03934	2.4
55.05511	7.2
57.03441	9.4
57.42077	2.1
65.03941	3.1
65.47201	1.9
67.05504	38.1
68.05850	2.2
69.07057	13.0
77.36455	1.8
79.05492	18.5
81.07059	23.4
83.08642	3.5
85.06528	1.9
89.06023	2.0
91.05477	11.4
93.07048	25.0
95.08607	100.0
96.08961	2.1
97.06526	4.7
98.22558	4.3
105.07027	4.9
107.08588	7.9
109.10159	7.4
119.08573	5.4
121.10152	6.4
123.08012	2.3
123.11663	2.9
131.08588	4.3
133.10098	5.3
135.11710	4.9
141.09076	3.9
145.10158	4.1
147.11694	3.6
159.10187	13.2
159.11481	2.5
161.35786	2.1
173.13338	2.7
173.97789	3.0
187.14825	2.3
215.12785	54.0
216.13110	2.2
243.20999	3.9
261.22156	9.0
335.25848	45.8
336.26163	5.4
475.34305	22.0
510.30579	2.6
511.34628	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	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96313	1.1
55.05509	4.8
57.07078	35.3
63.58852	1.3
69.07063	3.6
69.11155	4.1
69.11580	7.5
71.04978	1.5
71.08635	35.4
73.06559	6.7
81.07036	1.7
83.08618	4.8
85.10186	17.4
87.04461	3.6
89.06034	100.0
97.10180	4.5
98.23290	2.8
99.11732	1.4
107.07082	3.8
113.13345	1.7
117.09143	2.8
133.08607	43.3
177.11206	14.9
195.12317	2.4
239.14926	2.3
283.17477	12.9
299.29446	3.9
348.24808	1.4
449.38654	1.8
493.41077	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	511.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22087	0.4
55.42799	0.4
67.21131	0.3
69.16708	2.8
70.06580	0.4
70.45443	0.3
98.22563	0.7
100.11259	0.4
107.88769	0.4
127.03698	1.1
147.98816	0.3
171.02414	0.4
178.42781	0.4
201.05280	1.0
215.05263	0.8
216.07585	6.8
217.08482	1.7
229.06909	0.5
275.07526	0.4
296.78146	0.4
301.08871	0.5
317.08435	6.3
475.15558	0.6
511.17874	100.0
512.10736	0.5
512.18225	7.9
529.52863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01874	5.3
55.05514	5.9
56.05038	1.2
57.03441	3.7
60.04522	0.8
61.02924	1.5
65.03939	1.3
67.05499	7.8
67.41867	0.7
67.77872	0.8
68.99777	2.8
69.03082	1.3
69.03431	21.5
69.07080	5.0
70.06596	15.4
70.33606	1.6
70.33972	1.6
71.01357	1.5
71.04998	5.9
72.08163	4.4
73.02921	3.6
79.05505	6.0
81.03418	29.3
81.07040	5.6
83.01315	0.8
83.04982	14.5
83.08592	0.9
84.04503	1.4
84.08141	3.2
85.02904	36.6
86.09711	11.2
91.05479	15.4
93.07043	15.3
95.04964	7.2
95.08603	3.9
97.02889	22.5
97.06510	2.4
99.04455	40.3
100.04779	0.8
102.05549	1.6
103.03944	24.6
103.04648	1.3
103.05425	5.5
105.03375	0.8
105.04527	1.4
105.07031	10.4
106.29057	0.7
107.04962	5.4
107.08589	9.9
109.02876	35.3
109.06517	8.7
109.10149	5.5
110.07184	4.7
111.04430	2.4
111.08073	1.2
115.03920	1.3
115.05426	1.6
117.07031	8.0
119.04958	4.0
119.08571	8.3
120.08080	3.6
121.02861	7.2
121.06508	22.8
121.10124	3.0
123.04447	1.2
123.08066	3.2
125.09692	1.0
127.03914	100.0
128.04237	2.4
128.06195	1.4
128.33597	0.7
129.07004	2.3
129.10194	1.5
130.07759	1.4
131.04924	2.9
131.08565	3.4
133.06514	2.3
133.10124	5.6
135.04376	1.2
135.08073	6.0
135.11711	2.5
136.07570	1.8
136.28299	0.7
137.06033	2.0
137.09616	48.0
138.09978	1.3
142.07782	2.7
143.08519	1.9
144.09341	1.8
145.02896	0.8
145.04955	13.9
145.06229	1.5
145.06419	1.3
145.10106	6.1
147.04445	1.1
147.08012	4.2
147.11659	2.3
149.05977	46.7
149.09608	2.4
150.06392	1.1
151.07538	1.8
151.11201	1.0
156.09441	0.8
157.10048	1.8
159.04465	0.8
159.07947	1.5
159.11687	10.7
161.09608	6.4
163.06151	1.5
163.07539	2.4
163.11198	4.3
165.09015	1.3
167.06979	1.2
169.04979	0.9
169.10101	1.3
171.11453	0.8
172.08832	1.5
173.09612	0.9
175.11172	9.0
177.09109	2.9
177.12730	6.1
179.10721	1.2
185.05913	0.9
187.06024	6.0
187.11163	8.0
189.01862	1.7
189.08951	0.8
189.12794	1.0
191.03300	0.9
193.12222	3.9
195.02879	2.1
199.03954	0.9
199.11015	0.8
203.03424	4.9
203.10680	2.6
205.12238	48.1
206.12604	2.3
215.03421	1.3
215.13913	2.2
217.12250	1.5
221.04404	1.0
223.13300	14.5
227.03453	0.9
229.12166	1.1
231.02995	0.9
243.02844	1.3
243.13336	1.0
247.13171	1.8
253.07031	1.9
255.02876	0.9
271.08173	5.1
271.13232	1.1
283.06131	1.0
289.14310	0.8
292.07156	0.9
294.05200	1.3
295.06039	13.5
296.06488	1.8
307.06003	6.8
308.06476	1.4
309.04156	0.8
309.07526	2.7
313.14310	2.2
320.06635	1.5
321.07611	9.9
322.08206	0.8
323.08972	1.0
329.08063	1.5
331.15302	1.3
333.07642	5.2
335.09052	3.6
337.07053	2.2
345.07629	3.1
347.09116	1.1
349.07086	14.5
349.16437	3.0
349.27902	0.8
350.07455	1.9
351.08545	1.8
359.09079	1.1
361.07022	6.1
363.08554	2.3
367.17444	3.7
373.06995	3.3
375.08710	2.0
379.08130	7.6
387.08633	2.8
390.21735	1.8
391.08099	9.4
392.08450	2.0
397.09317	0.9
399.08191	0.9
401.10031	1.0
403.08084	2.5
409.09024	3.0
409.18280	1.1
415.08026	3.6
421.09171	2.3
427.10349	11.2
428.10440	1.0
429.09937	0.9
433.09164	7.4
445.09042	2.9
457.09091	2.4
457.18173	1.1
475.10046	3.8
475.19531	2.0
493.11398	7.4
493.18777	1.4
493.20187	1.3
511.12366	21.3
511.23376	3.9
511.33029	0.9
512.12506	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	511.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.4
67.05495	5.9
79.05502	7.7
81.07079	10.2
84.08135	4.6
85.52293	4.3
91.05480	8.1
91.24966	4.8
93.07020	5.5
95.08602	4.9
98.22596	6.8
105.07040	6.5
119.08633	4.5
178.77251	3.9
187.08762	5.2
204.14024	4.5
262.05334	4.3
262.60190	4.2
349.17679	20.5
349.25671	4.7
503.12057	4.9
511.22885	100.0
511.29874	9.2
512.23773	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	511.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	4.2
67.05504	7.3
70.06583	10.6
71.30580	6.2
72.08139	6.3
79.05480	7.2
81.07053	12.6
85.02953	4.6
86.09706	5.6
91.05495	5.8
91.09092	3.8
92.85114	4.0
93.07043	7.5
95.08600	11.9
97.06515	5.1
105.07007	4.6
107.08629	5.7
119.08520	6.8
121.10114	4.9
122.70609	4.1
132.14525	4.2
133.10097	4.4
135.11707	4.3
148.40730	3.8
182.48308	4.7
270.71872	4.2
349.17630	28.2
511.22836	100.0
511.29364	16.9
512.23364	9.5
531.80524	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	511.2513
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.05501	0.8
61.02219	0.7
63.55814	0.6
67.05476	1.0
69.07052	1.2
70.06560	1.9
70.32592	1.8
72.08116	1.9
79.05463	1.6
81.07030	1.7
83.08588	1.6
91.05463	1.8
93.07005	1.2
95.04949	0.8
95.08587	1.1
100.11242	1.0
104.67432	0.8
105.06998	1.0
107.08569	1.2
110.07083	0.9
120.08044	1.0
131.08478	1.2
169.24448	0.8
251.12529	16.3
273.80936	0.9
313.40027	0.8
323.23462	0.8
331.28308	0.9
348.28934	1.0
349.19830	100.0
350.20172	5.1
413.17764	5.7
511.25085	78.6
511.31171	2.8
512.25092	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	511.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01885	0.6
55.05500	1.3
57.03424	1.2
57.07063	0.7
61.02918	1.2
64.77124	0.4
67.05498	2.0
69.03433	3.8
69.07077	0.8
69.58575	2.1
71.04969	0.6
71.08629	0.6
72.08144	0.5
73.02923	1.1
79.05486	1.3
81.03417	1.4
81.07058	2.4
83.04978	0.4
83.08640	0.9
85.02900	5.2
85.45178	0.4
87.04469	1.1
91.03951	0.6
91.05467	0.5
93.07066	1.1
93.89174	0.4
95.08596	2.9
96.28817	0.4
97.02894	2.2
100.77068	0.4
105.07049	0.7
107.08603	1.2
109.02859	0.6
109.06525	2.3
109.10176	1.3
119.08599	0.5
121.10162	0.9
123.08069	7.6
127.03913	1.3
133.10146	0.5
135.08076	0.6
135.11662	0.5
145.04936	1.3
145.10126	0.5
179.14307	10.2
214.96010	0.4
269.28067	0.4
274.85471	0.4
293.21127	2.2
331.26288	1.3
349.27386	23.5
350.27750	1.0
353.22693	0.4
369.22784	0.4
493.32166	0.5
511.28732	100.0
512.29034	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	511.3031
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.34642	3.9
55.05501	18.5
57.03432	6.3
57.07069	19.1
61.94860	4.0
67.05510	18.7
69.07078	22.6
69.70135	3.4
70.06597	6.6
71.08620	9.7
79.05510	6.7
79.59454	3.9
81.07059	22.8
82.62312	3.8
83.08623	22.0
88.07627	8.8
89.06030	8.2
93.07040	4.5
95.08604	21.6
97.10134	8.3
98.98459	34.3
102.09164	4.9
105.06995	4.6
107.08598	7.7
108.52933	3.7
109.10169	14.0
121.10169	5.8
123.11673	4.6
135.11748	7.5
155.01036	6.9
229.28308	4.3
256.26498	13.1
265.25244	5.1
283.26340	12.9
329.94797	3.8
339.28918	100.0
340.29340	5.2
405.30646	4.2
475.27954	5.5
512.50458	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75224	0.5
53.03946	1.4
53.20242	0.5
55.01872	1.4
55.05514	3.4
55.21684	0.5
57.03445	3.0
57.07074	2.1
61.02922	3.7
65.03956	0.5
65.21510	0.5
66.82522	0.5
67.05505	5.3
69.03430	14.6
69.07076	4.3
70.84062	0.5
71.05005	2.4
71.08622	1.8
73.02930	2.9
79.05519	2.7
81.03426	5.5
81.07048	6.3
83.01303	0.5
83.04998	0.8
83.08612	2.4
85.02905	21.9
85.06548	1.2
86.09719	0.6
87.04463	5.0
89.40398	0.5
91.03957	2.3
91.05488	1.7
93.07043	3.0
93.80534	0.6
95.04949	0.7
95.08605	6.3
97.02894	11.3
97.06535	1.4
97.10205	0.7
99.04456	2.3
99.08077	0.9
101.02394	0.6
104.10756	1.4
105.07036	2.3
107.08606	3.7
109.02877	3.8
109.06522	8.7
109.10156	3.1
111.08086	2.2
119.08581	2.2
121.10143	3.0
122.07321	0.6
123.08069	31.6
123.11703	1.2
124.08378	0.8
125.09600	0.6
127.03924	7.5
131.08556	0.9
133.10147	1.2
135.08026	2.9
135.11697	1.8
137.09644	1.7
137.13245	0.6
145.04962	5.2
145.10132	1.3
147.11714	1.2
149.09665	0.9
149.13217	0.8
157.10152	0.6
158.08437	0.5
159.11719	1.4
161.13266	0.8
165.12791	0.8
167.14371	0.6
177.12750	0.9
179.14311	40.0
180.14720	1.0
184.07373	1.5
193.15970	1.0
205.15851	0.9
272.99280	0.5
275.19949	1.2
289.25183	1.3
293.21106	8.2
331.26233	4.3
347.25873	1.1
349.27362	100.0
350.27750	7.1
360.20480	0.6
373.27435	0.6
475.30917	0.9
493.31506	0.8
501.75854	0.5
511.32675	4.4
512.33136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01875	1.4
55.05506	3.8
56.05043	1.2
57.03432	3.4
57.07070	7.9
58.06601	0.6
59.04991	0.8
60.07936	0.6
60.08168	7.6
61.02918	4.4
67.05499	4.6
69.03432	15.2
69.07066	6.1
69.53745	3.9
71.04991	2.9
71.07365	2.5
71.08631	6.5
72.07712	0.8
73.02914	2.5
79.05479	3.0
81.03417	3.9
81.07050	7.8
83.05035	0.8
83.08630	3.2
85.02901	23.3
85.06544	1.2
85.10184	3.8
86.09703	22.8
86.41425	0.6
87.04469	4.6
87.10036	4.5
89.06033	8.4
91.03945	2.0
91.05482	1.7
93.07043	3.3
95.08601	7.8
96.08938	0.7
97.02887	9.0
97.06520	1.4
97.10175	1.8
98.98461	2.9
99.04455	2.3
101.02359	0.9
104.10743	40.7
105.07022	2.1
105.10419	0.6
105.11064	8.7
106.72623	0.6
107.08585	4.1
109.02875	2.6
109.06514	6.7
109.10152	2.6
111.08067	2.3
111.11710	0.8
119.08544	3.1
121.10139	2.6
123.08063	30.4
123.11709	1.3
125.00001	11.6
127.03913	7.9
131.08530	1.0
133.08612	5.0
133.10135	1.7
135.08054	2.8
135.11673	1.0
137.09631	1.4
145.04936	6.8
145.10150	1.1
147.11732	1.2
149.09593	0.9
149.13254	1.6
159.11749	0.9
161.13202	0.8
164.13397	0.6
165.12764	0.8
174.58435	0.6
175.78160	0.6
177.11261	1.7
177.12720	1.4
179.14305	24.8
180.14619	1.0
182.35591	0.7
184.07343	39.8
185.07689	10.3
193.15799	0.7
199.38223	0.7
233.19156	1.0
256.26355	1.0
275.20096	0.9
283.26328	1.0
289.25162	1.0
293.21078	11.9
303.26593	0.7
313.27258	0.9
314.27890	3.3
327.20142	1.7
331.26236	2.8
347.26154	0.9
349.27356	100.0
350.27652	5.9
493.35324	3.6
495.65344	0.6
511.36209	12.6
512.35858	0.8
512.50647	3.0
537.37744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	23.4
55.05510	7.5
57.03436	3.4
57.07081	20.3
63.74961	1.6
67.05507	21.4
69.07062	8.2
69.51070	5.0
69.51475	3.2
70.06586	4.6
71.04998	27.4
71.08629	12.5
79.05492	16.4
81.07057	22.2
83.04962	1.5
83.08620	9.2
85.06537	3.2
85.10199	6.2
87.04467	7.5
88.07635	4.9
89.06012	5.5
91.05477	6.2
93.07055	11.0
95.08614	40.4
97.06536	100.0
97.10172	3.9
102.09184	3.7
103.05409	1.7
105.07035	2.2
107.08590	7.4
109.10156	5.9
111.08066	2.3
119.08570	1.8
121.06502	3.1
121.10143	2.2
123.11695	2.6
133.08658	2.7
133.10110	2.7
135.11687	8.4
145.10080	2.1
151.11229	2.0
153.12772	4.4
163.11198	12.1
169.12239	2.9
177.11278	2.6
181.12230	92.0
182.12572	2.6
199.13319	6.3
255.15903	20.7
256.26294	11.7
283.26273	11.6
313.27362	33.5
391.98083	1.5
433.79868	1.7
477.16272	1.6
493.38959	2.0
511.31583	1.6
511.39883	8.8
512.43933	2.6
512.50494	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48645	1.1
53.03938	2.5
55.01875	2.4
55.05511	13.1
55.09230	1.1
58.42555	1.1
65.03936	2.2
65.73827	1.4
67.05498	11.5
69.03429	53.4
69.07065	3.1
70.06593	2.7
72.08121	2.1
78.03458	3.2
79.05492	12.3
80.05009	5.2
81.03412	26.1
81.07054	12.3
81.87536	1.1
83.04975	37.6
85.02908	1.6
91.04911	1.3
91.05479	26.0
93.07034	11.5
95.04970	10.2
95.08617	9.2
96.04504	5.7
97.06509	2.9
98.23428	2.4
103.05430	1.8
105.07024	25.5
106.02905	7.9
107.04955	3.2
107.08603	10.5
109.02872	1.6
109.06509	7.9
109.10158	2.8
111.04435	71.5
113.05993	2.2
115.05447	3.8
116.06197	1.1
117.07021	21.4
119.04932	3.1
119.08573	17.1
121.06494	4.6
121.10165	5.2
123.08086	2.5
124.03949	100.0
125.04314	1.5
125.07945	1.1
125.75957	1.2
128.06194	5.6
129.07002	12.0
130.07819	3.1
131.04947	1.6
131.08560	40.7
133.06476	3.2
133.10094	7.8
135.08055	4.6
135.11697	2.5
137.09691	1.5
141.06964	7.8
142.07768	8.0
143.08553	17.9
144.09288	2.1
145.06483	4.6
145.10118	30.3
145.11261	1.7
147.08057	6.4
147.11708	3.3
149.02342	2.4
149.09598	2.8
149.13210	1.7
150.02669	1.6
153.07021	3.1
154.07729	1.5
155.08540	12.6
156.09335	6.5
157.10126	19.7
158.07318	1.1
158.10866	4.3
159.08044	5.3
159.11691	13.9
161.09605	6.3
161.13266	3.7
163.07541	1.2
163.11169	3.0
163.14824	2.8
165.06996	4.7
165.09058	2.8
166.07709	2.0
167.08527	7.5
168.09328	5.5
169.06445	1.4
169.10112	9.8
171.08009	3.4
171.11682	14.0
173.09692	7.6
173.13257	81.7
174.13596	4.2
175.07579	1.6
175.11205	4.7
175.14836	2.3
177.12758	1.6
178.07857	2.1
179.08592	3.2
180.09306	2.1
181.06453	1.3
181.10132	9.0
182.10805	3.3
183.08067	2.4
183.11656	13.9
185.09622	4.1
185.13272	6.4
187.11215	2.8
189.12746	12.0
191.08720	1.6
191.10677	6.8
191.14340	5.8
192.09300	1.3
193.05005	3.3
193.10132	6.3
194.05449	1.3
194.10809	1.6
195.08128	3.1
195.11687	8.3
196.08800	1.4
196.12390	2.0
197.09729	2.2
197.13249	5.1
199.11160	6.5
201.09081	1.3
201.12735	20.6
203.08691	1.6
203.14384	2.0
206.10837	2.0
207.11699	4.1
208.12483	1.9
209.09680	1.8
209.13269	4.6
211.11124	3.4
211.14722	2.0
213.12773	2.4
215.14166	1.2
217.10336	2.7
217.12285	2.8
219.11676	2.8
219.13759	22.3
221.13338	5.1
222.13882	1.4
223.11240	4.3
223.14748	2.0
225.12752	2.3
229.12187	3.5
229.24760	1.2
232.12589	1.6
233.13129	1.4
235.14885	1.9
237.07567	1.9
237.12677	2.0
237.16464	2.3
238.07899	2.1
239.08063	1.2
239.14362	3.2
241.12224	3.3
247.13271	4.7
247.15300	1.7
255.13916	2.1
255.17274	1.7
261.14777	1.8
263.14142	1.5
265.16043	7.6
269.15012	1.3
273.14850	2.0
283.16913	5.6
293.15356	3.3
311.16388	11.5
329.17557	8.2
347.18518	5.3
379.90109	1.6
385.81711	1.4
389.19550	58.8
390.19870	4.7
390.51746	1.3
390.62967	1.2
452.20596	5.4
489.35504	1.1
511.34784	2.8
512.22296	3.1
512.34595	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	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20528	1.6
52.61222	1.5
52.67926	1.5
53.03934	6.0
55.05512	2.8
57.03002	2.7
57.03428	5.1
57.07077	4.5
58.06585	3.2
61.02926	3.8
62.10458	2.0
62.58088	1.7
62.82648	1.7
66.60778	1.7
67.05491	3.9
69.03434	15.4
69.07061	6.7
69.53482	9.5
70.06594	21.0
71.04990	5.2
72.08150	8.7
72.68723	2.0
73.02926	2.1
76.60470	2.0
79.05497	4.4
81.03415	16.6
81.07054	5.6
83.04984	3.3
84.04520	2.1
84.08143	6.0
85.02901	69.2
85.06539	8.9
86.09706	12.0
91.05484	2.4
93.07039	6.4
95.04940	2.7
96.08089	2.0
97.02895	18.9
98.22662	3.0
99.04453	43.4
99.05090	2.2
99.58804	2.1
99.71377	1.7
102.05537	2.5
103.03941	91.5
103.04631	4.5
104.04276	2.0
105.06992	4.3
107.04972	2.7
107.08582	3.3
109.02866	19.5
109.10162	3.2
110.07157	7.9
110.09637	1.9
115.03983	1.8
116.61746	1.6
117.07035	2.2
119.08583	2.7
120.08117	11.3
123.04419	1.9
127.03914	100.0
127.11214	5.0
129.10260	3.4
135.11609	2.5
145.04953	60.5
146.05470	2.1
153.12747	6.0
156.07655	2.6
163.06020	55.9
171.13788	12.5
187.06032	7.3
190.08827	2.0
205.06995	4.9
207.13727	2.2
271.08130	3.6
289.09283	2.8
307.10147	9.7
308.23489	1.9
314.24393	2.3
319.12866	4.2
323.12628	2.2
332.25809	9.4
350.26791	15.6
351.21381	48.3
469.75131	2.8
503.31702	1.9
512.20660	11.4
512.31604	13.1
513.26855	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.88991	1.1
55.05507	4.8
56.05031	1.9
57.03432	1.7
58.31310	1.0
58.92297	1.3
59.05005	1.6
60.04519	8.9
67.05515	2.8
69.03423	7.3
69.07066	1.6
69.33463	4.8
69.33857	2.5
70.06595	100.0
71.04990	4.5
71.06934	1.6
72.08151	12.4
79.05497	3.0
81.03420	7.2
81.07062	6.8
83.04968	2.3
84.04506	1.5
84.08143	3.4
85.02902	31.5
85.21909	1.1
86.09708	77.8
87.10058	2.6
91.05474	4.6
93.07055	6.7
95.04978	2.0
95.08614	4.7
97.02920	9.2
97.06525	3.3
99.04449	16.7
101.07119	1.6
103.03947	33.9
105.06998	8.9
107.04977	1.3
107.08590	9.8
109.02875	8.5
109.06547	2.1
109.10151	5.6
110.07162	4.9
114.09167	2.2
116.07111	14.5
119.08591	13.5
120.08118	5.2
121.06531	2.7
122.57047	1.2
123.08078	8.6
125.02503	1.3
127.03922	42.0
129.10335	1.7
131.08589	2.2
133.10123	4.9
135.08043	3.7
135.11739	5.7
136.07593	1.9
137.07103	2.0
137.09612	9.8
145.04961	24.0
145.10097	1.4
147.08060	1.6
147.11684	6.1
149.06039	1.3
153.12772	8.7
157.09737	43.3
159.11659	5.0
161.09518	1.3
161.13266	7.6
163.06030	20.4
171.11583	1.4
177.12805	1.6
183.14882	8.6
185.09221	28.8
185.16487	2.9
187.74606	1.2
189.12752	4.8
205.07085	2.5
207.13802	22.8
211.14288	7.4
213.15919	1.4
215.13901	4.6
238.68214	1.1
250.15508	1.7
252.17111	1.3
271.08154	3.0
280.16629	6.8
298.14178	2.4
298.17603	49.7
299.18103	1.3
307.10165	3.6
310.21255	2.5
334.93140	1.1
343.09155	1.3
345.51501	1.2
352.22015	1.1
369.24924	14.1
379.23495	3.4
397.24457	24.6
512.25092	2.2
512.31592	2.9
513.19653	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	512.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01857	0.6
55.05512	1.2
56.05014	0.6
56.06032	0.6
58.89874	0.6
60.04516	8.2
61.15459	0.6
67.05491	1.0
69.03419	2.2
69.07070	0.7
70.06589	100.0
71.06905	1.0
71.29621	0.9
72.08150	9.3
73.02930	0.7
79.05508	0.8
81.03413	1.8
81.07024	0.8
83.04993	1.0
84.08138	1.1
85.02903	4.6
86.09702	81.4
87.10022	1.3
91.05473	1.3
93.07038	2.0
95.04973	0.8
97.02886	2.6
98.06069	1.4
99.04448	4.6
100.04803	1.2
103.03926	4.3
105.07011	1.2
105.80810	0.7
106.07348	0.7
107.08621	0.9
108.87863	0.6
109.02891	3.5
110.03197	0.6
110.07163	0.8
116.07085	15.6
119.08601	1.5
120.08105	2.6
121.06496	1.7
122.06850	0.8
123.08049	0.7
127.03905	9.6
128.04243	2.4
129.10213	0.7
132.59497	0.6
133.10202	0.6
135.11804	0.9
136.25298	0.6
137.07097	1.7
137.09610	3.9
138.09924	1.5
139.08627	0.8
145.04968	2.7
145.10161	0.7
148.12123	0.6
149.06029	3.9
150.06297	1.7
157.09718	49.8
158.10081	1.1
159.11732	1.1
163.05954	0.9
167.08136	0.9
183.14948	8.2
185.09200	32.6
185.16518	2.7
186.09636	0.7
187.10907	1.9
189.12717	1.2
199.10841	0.8
205.12238	2.4
206.12587	2.3
207.13774	1.2
211.14412	7.7
213.15974	1.4
215.13904	5.0
223.13219	0.9
250.15614	1.0
252.17062	2.0
255.11021	0.7
270.18015	1.0
280.16498	8.5
298.17593	55.7
299.17877	1.8
310.21246	2.1
334.64667	0.7
359.99811	0.7
368.17844	0.8
369.24908	17.7
370.24960	1.1
379.23300	4.0
397.24445	35.3
398.24692	1.9
512.31360	1.5
513.30676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22553	0.7
55.01871	0.9
55.05526	0.9
56.05039	1.1
57.03432	4.0
58.06602	0.9
58.37974	0.8
61.02925	3.0
66.13260	1.0
67.05523	4.3
69.03430	8.8
69.07053	0.9
69.42558	2.0
69.42948	2.1
70.06591	8.3
71.01360	1.4
71.04974	1.5
73.02912	3.3
74.06085	1.6
81.03420	3.3
81.07056	3.7
82.06589	1.8
85.02909	13.2
87.04474	3.2
95.04965	0.9
95.08614	3.7
96.08139	6.4
97.02903	5.0
97.08926	1.8
98.09694	3.1
99.04436	1.7
100.07588	0.9
103.03937	0.9
107.04975	1.3
109.02863	1.5
109.10170	1.4
110.09702	1.4
114.09174	7.4
123.04432	25.0
123.05317	1.6
124.11227	1.0
127.03935	2.6
134.48476	0.8
139.97763	0.8
145.05016	1.2
149.05959	0.9
152.14342	0.8
208.20653	2.3
245.60849	0.8
313.81808	0.9
332.21844	2.3
332.25848	47.4
333.26202	2.3
337.87299	0.9
350.26917	44.7
351.27304	2.8
494.31161	11.0
512.32208	100.0
513.26031	1.1
513.32629	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	512.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05505	0.9
56.05023	0.6
57.03429	2.0
58.06594	1.4
59.38587	0.5
61.02929	2.8
67.05509	3.7
69.03433	6.6
69.07074	1.0
69.48210	2.6
70.06593	13.1
71.05006	0.9
73.02913	1.7
74.06084	0.5
79.05505	0.7
81.03422	1.9
81.07058	2.6
82.06578	2.2
84.08179	0.6
85.02905	9.4
85.03378	0.9
86.09698	0.8
87.04460	1.5
91.03979	0.6
95.04973	0.7
95.08595	3.5
96.08134	5.5
97.02905	3.7
97.08936	4.9
98.09697	1.0
98.22688	1.1
99.04468	1.3
101.02396	1.0
101.94865	0.5
107.08633	0.7
109.02888	1.6
109.06528	0.6
109.10170	1.7
110.09681	7.4
114.09171	3.5
121.06467	0.6
123.04433	22.4
124.11255	1.2
127.03902	3.2
128.10735	0.7
129.92360	0.5
133.61603	0.5
135.08105	0.5
137.06146	0.5
138.12804	0.9
145.04938	0.8
149.06041	0.8
152.14352	1.1
163.07559	0.6
180.17517	0.7
189.12695	0.9
194.19025	0.7
207.13777	1.3
208.20619	10.8
209.20963	0.6
250.18124	1.0
287.00455	0.5
304.23080	0.5
331.25183	1.1
332.25833	56.3
333.26294	3.8
350.26883	29.9
351.27316	2.1
356.35684	0.6
374.26974	1.1
494.31152	5.2
512.32178	100.0
513.32544	7.0
526.26062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.4
57.03438	1.4
57.07077	71.8
61.02924	1.0
67.05505	2.6
69.03432	3.6
69.04662	3.1
69.05067	8.3
69.07072	8.1
70.06599	8.9
71.08633	48.2
72.08950	1.4
73.02934	1.3
73.06557	5.1
79.05513	1.4
81.07048	3.2
82.43010	1.3
83.08621	4.9
85.02901	4.9
85.10184	31.9
87.04466	6.0
88.07632	10.7
89.06032	100.0
93.07041	2.0
95.08604	3.9
97.02892	2.8
97.10176	6.3
98.23377	2.5
99.04384	1.1
99.11743	10.9
102.09187	8.5
103.03972	1.5
105.07060	1.4
107.07070	2.1
109.06496	3.2
109.10164	2.5
111.11744	5.2
113.13265	3.4
117.09135	4.6
123.08074	5.0
124.08411	1.8
127.03952	1.3
130.08643	1.9
133.08603	61.6
133.91960	1.1
147.11772	1.2
169.19536	2.2
175.02878	1.3
177.11220	21.5
179.14304	12.3
180.14644	9.2
195.12254	1.3
213.22166	2.2
221.13878	4.3
228.23213	1.5
239.14946	3.2
248.00999	1.2
256.26346	28.5
257.24820	4.6
274.27365	1.4
283.17560	2.3
283.26324	28.3
301.27341	4.2
311.29193	2.0
327.20074	14.8
349.27344	6.7
350.27737	27.2
351.28268	1.9
371.84634	1.2
425.97345	1.2
451.21811	1.8
495.38840	17.0
496.39291	3.0
512.34064	2.1
512.42688	2.4
512.50372	59.6
513.30341	4.1
513.50653	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	512.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81912	0.4
55.05500	2.9
57.07076	41.6
58.06590	1.2
58.07413	0.6
67.05515	1.3
68.05018	0.6
69.07066	3.5
69.35926	1.2
69.36321	3.6
70.06582	4.5
71.08632	32.3
73.02914	0.7
73.06558	6.7
80.21492	0.5
81.07052	1.6
83.08621	3.1
84.37459	0.5
85.10181	20.2
87.04476	3.4
88.07639	7.6
89.06031	100.0
90.06367	1.5
91.07611	1.1
95.08614	2.2
95.15198	0.7
97.10157	4.5
98.23319	0.8
98.98424	0.7
99.11739	4.0
102.09187	5.9
107.07085	2.8
107.08558	0.5
111.11728	3.7
113.13290	2.8
117.09142	4.3
123.11703	0.8
126.00096	0.6
127.14877	1.1
130.08632	1.4
131.06996	0.7
133.08601	50.2
134.08981	1.4
135.10152	0.8
136.06236	0.7
138.24260	0.5
161.11749	0.6
166.16589	0.5
169.19499	3.3
175.09703	0.6
177.11212	19.2
203.93237	0.5
212.29448	0.5
213.22183	2.9
221.13882	2.9
228.23218	1.2
239.14929	2.2
256.26352	18.8
257.24649	6.5
258.87448	0.6
274.27469	2.1
283.17529	2.2
283.26300	19.6
291.73044	0.6
301.27426	3.2
305.36319	0.6
307.07336	0.7
311.29446	1.8
327.20096	10.6
328.20456	0.5
340.29489	1.0
363.31177	0.6
407.33725	0.9
451.35403	0.6
495.38953	9.4
496.40005	0.6
512.50354	42.4
513.50464	2.8
514.06128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47762	2.3
55.05509	5.9
58.06605	2.8
62.97453	2.5
67.05502	3.0
70.06597	9.5
72.08154	8.8
79.05473	4.4
81.07050	4.4
83.04961	2.7
86.09740	4.4
91.05489	5.5
93.07016	2.9
95.04955	3.1
95.08617	5.0
105.07032	3.9
109.06506	3.4
109.10165	2.9
116.23629	3.0
119.08564	3.6
145.10252	2.9
207.13889	3.2
248.09518	4.5
249.10052	4.7
250.11098	4.3
251.11905	5.1
263.11844	11.5
291.11295	3.4
309.12463	4.8
311.13815	3.4
351.15518	39.1
351.21365	6.7
369.15686	7.7
481.15793	4.8
513.13483	44.1
513.20654	100.0
513.32562	5.9
514.13684	5.9
514.20911	8.4
514.37787	3.1
522.07202	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	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01875	4.5
55.05510	8.8
61.02924	5.5
65.91734	2.8
67.01867	7.0
67.05524	8.5
68.05058	3.3
69.03429	18.5
69.07072	5.5
70.06597	27.1
70.07243	2.7
70.68803	7.6
71.05006	5.5
71.54717	3.1
72.08162	9.3
73.02952	3.7
79.05489	16.2
81.03415	16.3
81.07065	10.4
82.06604	2.6
83.04982	12.7
84.08154	4.2
85.02908	83.1
86.09714	15.7
91.05487	24.6
93.07057	17.5
94.06560	3.4
95.04986	15.3
95.08615	19.9
96.08131	4.5
97.02897	15.3
97.06541	8.2
99.04470	26.3
100.02126	2.5
103.03944	31.1
105.07041	26.3
107.07883	3.7
107.08599	71.4
109.02888	22.3
109.06540	7.0
109.10201	3.9
111.08047	4.0
112.07574	3.6
113.13622	2.5
117.07017	5.2
119.04914	3.5
119.08579	23.5
120.08133	9.4
121.06508	4.6
121.10168	12.1
123.04452	5.0
123.11731	11.8
127.03915	54.3
127.09956	6.5
128.10320	4.2
129.07040	2.9
131.08569	33.8
133.06526	6.4
133.10120	13.6
135.08047	5.8
135.11693	13.5
136.07613	5.3
137.09610	10.8
141.11084	5.9
145.04974	22.8
145.10153	12.1
147.08075	7.7
147.11711	28.9
149.09648	15.9
150.29359	3.1
151.03922	3.6
151.07559	5.2
156.09435	5.2
159.11685	4.4
161.13284	27.4
163.06046	8.0
163.11157	6.5
171.11725	5.6
174.10391	3.9
175.09517	3.2
186.35049	3.0
187.06003	5.4
189.12753	43.9
190.12955	2.7
206.19069	2.8
207.13811	95.9
207.44925	2.9
271.08124	3.2
330.24261	6.3
331.24646	9.2
332.25110	6.6
333.25272	10.1
348.25360	8.1
349.25693	25.8
350.26102	19.5
351.26221	24.7
369.19373	3.9
408.04480	2.7
459.20505	3.6
512.31256	12.1
513.19489	9.4
513.31561	100.0
514.31403	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	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
67.05521	4.8
69.03434	9.3
69.62970	2.0
70.06594	10.7
70.44868	4.0
70.45210	3.8
71.05005	2.4
72.08163	5.0
79.05497	2.8
81.03394	13.2
81.07049	7.1
83.05035	3.0
85.02908	24.3
86.03181	2.5
86.09726	3.9
87.04489	12.3
91.05466	5.1
93.07050	7.5
95.04981	6.7
95.08606	7.7
97.02897	16.8
99.04460	19.2
103.03934	25.8
105.07047	14.2
107.04939	2.5
109.02872	10.7
109.10159	6.5
111.08087	3.7
117.07030	17.0
119.04919	3.1
119.08585	11.8
121.10135	8.6
123.04408	2.1
125.06012	4.8
126.97002	2.4
127.03919	39.1
129.06982	3.2
131.08563	6.3
133.06470	4.5
133.10136	6.9
139.07535	59.3
143.08534	5.0
145.04932	15.3
145.10155	4.0
147.08066	6.5
147.11710	7.5
151.07565	6.7
156.09392	6.9
159.11703	39.5
161.13272	8.0
163.06065	3.6
168.42287	2.3
171.11690	17.1
189.12741	28.3
203.23517	2.3
207.06523	20.4
207.13806	100.0
208.14160	4.1
279.98096	2.0
306.02045	2.1
314.55966	2.0
332.26025	2.8
465.09946	2.3
513.32251	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	513.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94633	1.2
53.03951	4.1
55.01858	1.6
55.05501	4.5
56.05023	1.2
57.03427	1.8
59.05000	7.0
60.05619	1.1
67.05505	3.0
69.03426	12.4
69.07062	2.1
69.07358	6.4
69.07777	4.0
70.06591	28.3
71.04984	4.9
72.08144	5.0
73.02921	1.4
79.05487	4.4
81.03408	10.5
81.07047	4.2
82.02106	1.2
83.04974	8.6
84.08142	3.4
85.02908	19.6
86.09697	8.6
87.04454	4.9
90.69391	1.1
91.05478	9.7
93.07036	6.6
94.41814	1.3
95.04946	3.3
95.08620	8.0
96.88405	1.1
97.02879	10.7
97.06524	1.6
98.22626	2.5
99.04463	12.6
101.06017	1.3
103.03940	17.6
105.07023	17.2
107.04970	2.4
107.08591	16.5
109.02883	15.4
109.06507	9.9
109.10159	2.2
110.07168	2.4
111.08102	1.6
112.08718	1.3
116.06223	1.3
117.07004	7.0
119.04929	6.2
119.08578	16.8
120.08173	6.5
121.06502	3.4
121.10162	9.3
123.08068	29.9
125.02358	2.7
125.05994	2.0
127.03921	30.3
128.06253	1.7
129.06996	2.0
129.10210	1.7
131.08603	7.8
133.06494	4.6
133.10123	12.3
135.08063	2.4
135.11702	2.2
136.07545	1.4
137.09615	4.2
139.07527	17.3
141.06950	1.9
143.08557	3.4
145.04971	10.1
145.06535	1.3
145.10081	7.1
146.10756	1.1
147.04434	2.7
147.08006	6.0
147.11671	12.3
149.09627	23.7
151.07568	3.5
156.09354	7.6
159.08067	8.7
159.11705	12.4
161.09610	4.3
161.13272	9.7
163.06053	3.2
163.11165	4.4
169.04938	2.2
171.11662	11.2
174.10402	20.3
175.03900	2.4
177.10262	1.9
187.06050	2.4
187.11070	1.4
189.12744	68.4
190.13077	2.6
191.14362	7.4
199.10712	2.9
207.06483	6.5
207.13805	100.0
208.14093	3.6
227.10350	2.1
275.27115	1.5
303.15964	1.9
315.16342	1.5
333.16806	1.6
396.42719	1.3
513.23285	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	513.2674
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
52.41021	0.5
52.55080	0.6
58.23466	0.5
61.94701	0.6
69.97112	2.2
70.06572	1.2
81.03394	0.7
84.08122	0.7
86.09660	1.3
96.65385	0.5
112.69125	0.7
147.42073	0.6
159.11636	0.6
185.04149	2.3
199.27036	0.7
219.83455	0.7
351.21411	100.0
352.21667	6.5
380.54895	0.7
513.26721	87.1
514.27142	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	513.3038
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.84130	0.3
56.11508	0.2
57.07070	0.5
59.03646	0.3
67.05505	0.3
69.64832	1.3
70.06589	0.5
71.94534	0.2
81.07047	0.4
82.35863	0.2
88.07653	0.3
90.99189	0.3
119.89656	0.2
120.43453	0.3
166.17261	0.2
185.04134	0.3
201.24236	0.3
203.05290	1.0
256.26309	0.6
283.26337	0.7
284.26703	0.3
329.20874	0.7
512.50195	1.0
513.30316	100.0
514.30658	7.9
529.31879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	2.0
70.66822	1.0
78.95662	0.6
79.85389	0.5
94.93018	6.7
96.92814	1.9
129.10272	0.5
197.06363	0.5
286.93143	0.7
298.90921	1.9
299.91275	1.1
300.90857	1.8
304.62906	0.5
314.88846	0.5
324.89029	2.9
325.89346	2.9
326.88672	4.2
337.58755	0.6
340.86105	0.9
342.85806	0.6
343.88815	1.4
344.88629	1.6
367.09106	1.7
385.10034	2.4
451.91089	7.4
451.96716	1.0
452.90628	7.0
470.91937	0.5
495.90247	0.6
496.90784	0.6
514.14264	100.0
515.14496	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	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.7
55.16873	6.4
57.14920	6.8
58.06603	9.2
62.67981	7.3
65.72429	5.6
67.05519	16.4
69.03426	20.1
69.07072	16.5
70.06596	77.1
71.05000	7.2
71.08639	36.3
71.29997	10.5
72.08157	98.9
76.86356	6.1
79.05498	14.2
81.03417	19.2
81.07059	25.9
83.04983	11.9
84.08143	24.0
85.02918	51.6
86.09707	81.5
91.05485	27.3
93.07042	19.1
95.04990	8.5
95.08620	16.3
97.02900	27.1
99.04456	24.7
99.08105	72.1
103.03969	29.5
105.07046	26.7
107.04962	9.6
107.08588	30.4
109.02883	17.4
109.10130	9.0
110.09704	14.4
111.94128	7.1
115.95889	7.0
119.04945	8.3
119.08543	14.6
120.05314	7.5
120.08117	27.5
121.06516	8.6
121.10179	14.3
127.03934	50.7
128.10701	20.7
129.10246	15.5
129.12779	6.4
131.08577	8.9
133.06503	9.5
133.10136	73.3
134.06825	13.0
135.08089	15.5
137.09605	40.3
145.04965	25.5
147.11670	12.6
149.13298	7.1
163.06145	10.0
173.13245	11.7
173.15388	44.0
175.14865	8.5
177.12805	11.3
185.16502	7.2
189.12756	16.1
190.13106	16.1
191.14320	100.0
207.13812	40.7
208.14134	45.2
209.15405	9.1
270.18182	9.1
323.85504	7.4
352.24719	63.5
352.28452	12.9
514.19952	7.1
514.33264	22.6
515.20367	17.1
515.27563	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60210	3.4
53.03938	4.3
55.99611	2.5
57.03431	3.5
57.07082	12.3
58.06610	3.6
59.04715	4.9
59.05005	100.0
59.43042	2.4
67.05494	4.8
69.03423	10.7
70.06596	16.2
71.04979	6.3
71.29900	2.6
72.08147	17.3
81.03399	8.5
81.07053	6.6
83.04985	2.8
83.52242	2.5
84.08137	4.7
85.02901	32.6
86.09702	17.5
91.05473	6.3
93.07052	4.7
95.04944	2.4
95.08603	4.5
97.02884	13.9
99.04457	26.6
103.03939	38.6
105.07029	4.7
107.08592	4.3
108.08028	2.7
109.02884	11.6
109.06537	2.8
113.66653	2.6
115.11214	29.8
119.08628	3.1
123.04395	2.7
127.03915	41.8
128.10669	5.5
129.10225	3.4
145.04935	25.6
163.06067	17.1
173.15437	6.3
177.05550	3.3
187.06117	3.9
191.16425	51.2
251.11810	3.0
265.13290	5.2
307.10071	3.5
340.94608	2.4
352.21774	7.3
406.48560	3.3
441.13705	2.9
481.83502	3.1
514.19092	7.1
514.26923	9.8
515.19971	12.0
515.27863	5.0
515.35455	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.3
55.01849	1.0
55.05513	6.0
56.05001	2.1
57.03442	5.6
58.06603	7.6
61.02887	2.6
63.42308	0.6
65.03914	1.6
67.05506	23.7
69.03427	9.7
69.06107	3.5
69.06532	1.8
69.07083	3.6
70.06592	3.3
71.04966	0.9
71.07352	0.7
72.08154	39.6
73.02882	1.4
73.85249	0.6
77.21814	0.5
79.05492	15.0
81.03373	2.3
81.07059	15.7
83.08584	1.1
84.08146	5.7
85.02907	15.4
85.06526	0.8
85.08932	5.8
86.09674	2.7
87.04437	2.1
91.04990	0.7
91.05482	9.2
91.70446	0.6
93.07047	13.5
95.04936	1.4
95.08056	0.7
95.08610	10.9
96.08140	1.4
97.02879	5.2
97.10124	0.7
98.09697	14.5
98.23390	1.0
99.04436	1.3
102.09135	2.4
103.03922	0.8
105.07031	5.2
107.08591	9.3
109.02835	2.2
109.06519	3.3
109.10149	4.7
110.09655	0.9
111.10416	0.6
112.11195	2.0
117.06975	1.1
119.08592	3.1
121.10131	3.8
127.03897	3.5
131.08514	1.7
133.10107	3.4
135.08006	1.1
135.11633	1.1
145.04912	1.8
145.10092	2.1
147.11691	1.7
149.13243	1.0
157.22153	0.6
159.11658	0.9
161.13289	1.0
173.13197	1.2
188.81126	0.7
191.14261	1.8
224.09523	0.6
316.29965	20.9
317.30316	0.9
334.31030	77.8
335.31339	3.5
352.32086	98.9
353.32495	7.6
394.33084	0.8
496.36285	6.9
497.36725	0.8
514.37378	100.0
515.20386	1.0
515.37640	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	514.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01856	0.8
55.05509	7.0
56.05033	1.0
57.03441	7.4
58.06602	6.7
60.05133	0.7
61.02920	2.9
65.03932	1.2
67.05505	26.0
69.03425	8.8
69.07077	4.5
70.06592	5.3
70.15685	1.7
70.16037	1.7
71.04985	1.5
71.07366	0.9
72.08157	39.5
73.02901	2.3
73.11369	0.8
79.05495	13.5
81.03433	4.1
81.07056	16.5
83.08628	2.4
84.08153	6.1
85.02910	14.3
85.06559	1.3
85.08915	4.0
86.09702	3.2
87.04462	1.4
91.05482	9.7
93.07045	13.3
95.04980	1.3
95.08595	8.7
96.08121	1.2
97.02879	5.0
97.06539	1.0
98.09695	11.9
99.04463	1.2
102.09180	2.0
105.07031	5.5
107.08594	7.3
109.02860	1.7
109.10163	4.3
110.09682	1.6
112.11243	1.5
117.07026	0.9
118.62959	0.8
119.08576	3.9
121.10155	4.3
124.11214	1.1
124.43916	0.9
126.02223	4.5
127.03924	3.4
130.53914	0.8
131.08585	1.4
133.10121	2.5
135.11705	2.1
143.56392	0.7
145.10149	2.4
147.11703	2.0
149.13287	1.6
159.11740	1.5
161.13170	1.1
173.13249	1.0
211.15213	0.8
239.12013	0.8
251.11775	1.7
265.13345	0.9
316.29996	20.8
316.33478	1.6
317.30411	0.9
334.31046	72.9
335.31537	3.3
352.32101	87.3
353.32382	5.4
394.33127	1.0
480.27747	3.6
496.36234	7.5
514.18512	2.2
514.37390	100.0
515.20319	2.9
515.37970	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1892
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
64.16280	1.4
70.06598	6.9
72.08150	5.3
84.08150	3.9
86.09712	7.5
90.05608	1.5
90.69076	1.3
98.97575	2.2
129.10231	3.5
172.92668	1.3
270.18127	2.5
455.12051	1.7
515.18927	100.0
515.38226	5.7
516.19098	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	515.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.05028	0.7
56.86852	0.5
57.44356	0.6
60.04508	1.0
60.10743	0.5
61.42215	0.4
68.63870	0.4
69.03424	0.9
69.07066	2.4
70.06206	1.1
70.06591	21.9
71.06916	2.4
71.30571	0.6
72.08152	11.8
74.06084	0.5
79.05499	0.6
81.03403	1.2
81.07049	1.1
84.04510	1.3
84.08139	4.7
85.02879	1.6
86.09705	30.1
87.05580	0.8
87.10027	1.3
91.05479	0.6
93.07022	0.9
95.04966	0.6
96.08104	1.4
97.02876	1.2
98.97584	0.5
99.04461	1.1
100.11249	0.5
102.05545	0.7
103.03961	0.8
103.61871	0.5
105.07079	0.4
107.04991	0.6
107.08605	0.6
109.02863	0.6
110.07158	2.3
112.08743	0.8
114.09155	5.4
119.08599	0.5
120.08115	2.6
121.10168	0.7
125.02271	0.7
127.03930	2.1
127.08658	0.7
129.10208	4.2
130.06502	0.5
131.08453	0.7
132.10168	1.3
136.07541	1.2
137.05984	0.5
137.09645	0.5
141.10217	1.2
143.11792	1.6
145.04968	1.4
147.11705	0.6
149.09595	0.9
155.08142	1.1
157.09695	1.4
157.13300	0.7
159.09145	1.0
159.11334	1.0
169.13324	0.8
171.11371	0.7
173.09265	0.7
173.13217	1.1
183.11296	1.3
185.12799	0.5
186.12401	1.3
187.10757	0.6
189.12444	0.8
191.14243	1.2
199.10846	0.6
199.18057	0.6
201.08719	1.5
201.12367	0.8
209.11494	1.7
209.15373	1.6
214.11960	0.8
220.49083	0.5
228.13445	5.8
229.15424	3.2
230.15787	2.2
270.18237	1.1
286.17654	0.9
287.17999	1.1
288.19168	1.4
327.20386	1.4
347.09436	0.9
354.26456	0.6
371.16846	4.9
385.20428	0.6
413.17941	0.9
425.14902	0.6
453.20987	10.7
454.21210	1.1
455.12714	0.8
455.18845	7.2
497.20023	0.8
515.20892	100.0
516.14154	0.7
516.21503	10.1
516.31323	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2464
Annotation	Telmisartan
Peak:m/z	Relative Intensity
55.01847	1.1
55.05484	1.2
70.45908	2.0
96.32895	0.9
100.11259	1.9
100.43502	0.9
128.34956	1.1
150.64850	1.1
173.00160	0.9
182.15500	1.2
182.94159	1.0
202.94351	1.2
202.96201	0.9
210.14891	1.1
316.31479	1.0
515.24585	100.0
516.25439	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	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05500	2.2
57.02731	0.8
57.03426	1.5
58.06608	1.0
60.05624	0.8
61.51408	0.9
67.05494	3.1
68.15698	0.7
68.99750	1.2
69.00146	7.8
69.03432	9.9
69.07059	3.1
70.06596	6.8
71.04991	1.8
72.08158	9.3
73.02891	1.1
73.08459	0.8
78.84372	0.8
79.05481	2.2
81.03412	7.9
81.07063	5.2
83.04979	2.3
84.08142	1.9
85.02440	1.1
85.02910	15.2
85.03381	1.7
86.09702	5.8
91.05486	4.2
93.07044	4.0
95.04964	3.8
95.08599	4.7
97.02913	7.5
97.06552	0.9
99.04450	8.8
99.08084	2.3
103.03949	13.0
105.07024	3.6
107.08603	8.0
109.02885	5.7
109.06529	7.3
109.10144	2.3
110.07118	0.9
119.08592	2.5
121.06554	1.2
121.10144	9.6
122.07262	2.1
123.08086	4.4
123.11691	2.7
127.03918	20.1
128.10730	2.3
131.08569	1.8
133.10136	6.4
135.08066	3.5
135.11642	1.1
137.09615	11.5
141.10071	0.8
145.04979	8.7
145.10109	1.9
147.11653	2.4
149.09612	6.0
149.13274	5.8
151.11198	7.9
158.10951	1.1
163.06012	3.6
163.14853	1.2
165.11357	1.8
165.12750	33.6
166.13110	1.6
173.13251	4.6
187.06033	1.4
191.14314	16.5
193.15842	1.8
198.33623	0.8
209.15369	100.0
210.15733	4.4
211.04016	0.9
241.96710	0.8
297.36514	0.8
354.29825	1.2
400.10776	1.0
515.19830	1.6
515.26544	5.7
515.33612	2.3
516.31720	1.6
524.47968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.17359	1.6
55.57889	1.8
65.22449	1.9
67.05490	6.1
69.03432	10.3
69.07056	3.0
69.99174	4.4
69.99569	6.2
70.06597	3.6
71.04979	3.2
72.08145	3.0
79.05488	9.8
81.03419	4.9
81.07052	12.2
83.04992	3.6
83.08624	2.7
84.19765	1.8
85.02898	21.0
86.09726	3.3
91.05466	9.0
92.77856	2.0
93.07053	5.3
95.04951	3.1
95.08599	5.6
97.02906	8.4
99.04453	12.4
103.03938	25.0
105.07007	10.8
107.04945	7.3
107.08591	27.0
109.02888	7.0
109.06512	32.0
109.10152	13.4
111.08134	2.6
117.07018	3.9
119.08562	5.9
120.08137	2.7
121.06502	2.2
121.10162	14.8
122.07299	6.8
123.08061	3.9
127.03918	28.9
131.08551	4.4
133.10123	100.0
135.08032	15.5
137.09610	58.0
145.04985	17.8
149.09540	4.1
149.13229	10.0
158.10973	2.3
163.05994	10.3
163.14854	3.2
173.13214	10.8
183.91443	1.9
191.14304	97.6
192.14664	4.5
201.55736	2.2
209.15393	13.1
242.66945	2.5
271.08145	2.3
307.10074	2.3
515.20447	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	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38039	4.7
62.22916	4.7
69.05803	11.2
69.06194	43.0
69.07077	11.0
72.08162	9.9
85.02905	6.0
86.09703	8.6
91.05475	9.4
91.14096	4.2
93.07042	18.8
105.07019	6.0
107.08600	11.0
108.21711	4.9
121.06474	12.9
121.10131	11.5
123.08099	7.2
126.93359	5.5
127.03915	7.0
131.08597	8.3
131.84123	4.6
133.10100	7.9
135.08046	7.8
147.11681	21.1
149.13266	11.0
173.13269	9.6
191.14326	100.0
192.14743	6.0
229.24545	5.2
338.25186	5.0
458.42148	4.8
515.20148	9.2
515.27386	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05515	2.7
58.65324	1.0
67.05507	3.7
69.03428	8.2
69.07061	2.0
70.38420	3.0
71.04976	1.2
76.10223	1.1
79.05498	8.8
80.66064	1.1
81.03422	3.1
81.07047	11.6
83.04989	3.3
84.85883	1.0
85.02908	14.6
91.05471	6.3
93.07062	4.5
95.04991	1.3
95.08572	1.4
97.02906	3.8
97.14881	0.9
98.22692	1.3
99.04442	8.3
99.04916	0.8
103.03936	16.3
105.07045	7.7
107.04958	5.9
107.08594	27.7
107.09293	1.9
109.02898	3.7
109.06523	3.5
109.10149	5.8
113.67486	0.9
115.05438	1.1
117.07081	1.7
119.08610	4.8
121.06513	3.9
121.10133	11.4
122.07304	5.6
123.08112	1.6
127.03915	20.4
128.10797	1.0
131.08592	3.5
133.10129	100.0
134.10501	3.8
135.08057	10.4
137.09621	53.2
137.10706	1.8
138.09955	1.2
145.04947	13.5
147.11703	2.4
149.09615	1.1
149.13245	10.9
158.10948	1.3
163.06029	8.1
163.14842	2.2
173.13287	4.7
187.06035	1.2
191.14307	82.6
192.14597	5.7
205.07133	1.6
209.15379	4.3
256.92868	1.1
271.08099	2.2
293.57593	1.0
307.10504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
55.01860	1.8
55.05513	4.9
57.03434	1.9
58.82614	2.5
59.08758	1.6
61.02933	3.7
61.59082	2.0
67.05499	7.0
69.03428	16.6
69.07069	6.9
70.06594	10.6
70.64700	3.6
71.05002	5.0
72.08157	7.4
73.02921	4.5
79.05476	8.8
81.03416	12.6
81.07053	13.2
82.10329	1.6
83.04989	5.9
84.08135	5.7
85.02902	53.2
85.06573	2.1
86.09694	9.5
91.05463	11.7
93.07030	10.2
95.04971	6.0
95.08607	19.1
96.90050	2.0
97.02890	30.5
97.06544	2.9
98.97562	3.2
99.04457	42.2
103.03941	56.0
105.07030	17.2
107.04965	7.3
107.08588	27.8
109.02879	20.4
109.06523	7.3
109.10175	6.3
110.07238	2.1
115.03917	2.2
117.07015	2.8
119.08580	10.3
121.06534	5.4
121.10142	13.5
122.07327	3.6
123.08045	3.4
127.03915	79.2
129.06975	2.0
129.10248	2.8
131.08586	10.7
133.10127	83.5
134.10468	2.4
135.08051	15.2
135.11691	2.9
137.08632	3.9
137.09619	40.7
138.09967	2.1
145.04948	48.3
145.10161	4.3
147.11681	9.2
149.09633	3.4
149.13290	11.0
158.10959	4.2
161.13184	3.2
163.06027	17.7
163.14838	5.0
169.04860	1.8
173.13246	41.1
175.14836	3.6
187.06062	4.9
191.14305	100.0
192.14645	4.9
195.09772	1.8
203.19577	2.4
205.07111	2.9
209.15367	23.5
257.12521	2.1
271.08243	2.9
295.64990	2.3
374.14383	2.7
427.85519	1.8
514.55048	2.1
515.18591	15.8
515.26007	2.3
515.33484	4.0
516.24304	3.1
516.31390	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	515.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.1
56.55659	5.6
67.05492	22.1
69.03416	18.6
69.07057	22.0
70.06584	19.3
70.65153	10.8
71.04967	10.2
72.08146	26.8
75.01829	6.0
77.91655	5.1
79.05484	13.6
81.03392	16.9
81.07043	24.1
83.04053	6.5
84.08131	14.0
85.02905	43.7
86.09702	7.0
86.47579	5.5
91.05492	14.8
93.07037	18.3
95.04951	21.1
95.08588	20.4
97.02882	28.9
98.09701	6.7
99.04462	29.4
103.03928	30.8
105.07021	16.7
107.08585	23.0
109.02873	14.1
109.06480	12.8
109.10139	13.7
111.04392	7.2
119.08559	10.1
121.06489	27.6
121.10135	17.3
123.11700	12.7
125.05979	14.9
127.03904	48.9
131.08575	13.1
133.10106	27.9
135.08064	28.3
135.11676	12.0
145.04980	31.2
145.10085	7.2
147.11584	10.8
149.13196	6.7
163.05997	13.4
163.14815	13.4
173.13229	33.2
191.14311	72.3
209.15370	100.0
236.09538	6.5
251.11751	13.6
253.13626	11.2
265.13446	12.7
279.11328	7.4
302.08517	7.1
311.13974	8.4
335.31393	20.9
352.32108	11.3
353.32370	22.8
441.05270	6.3
455.18192	11.1
505.99295	6.3
514.37372	6.0
515.20087	61.1
515.26483	10.4
515.37402	27.6
516.19873	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	515.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.6
55.01884	1.2
55.05509	2.9
56.93359	1.0
57.03430	1.6
57.07048	0.9
61.02951	2.1
62.65178	0.8
65.03947	1.0
67.05507	5.9
69.03432	10.5
69.07072	4.7
70.06595	10.1
71.04987	2.7
71.29810	1.6
72.08151	9.1
73.02927	2.0
79.05493	10.3
81.03422	8.2
81.07061	12.5
81.49498	0.9
83.04987	4.1
84.04499	1.1
84.08135	3.1
85.02901	27.4
85.08520	0.9
86.09706	11.5
87.10067	0.9
91.05467	11.0
93.07033	8.1
93.49323	0.9
95.04964	3.0
95.08606	6.4
97.02901	13.3
97.06530	1.9
98.97585	3.4
99.04453	17.1
103.03940	29.7
103.57345	1.0
105.07025	13.9
107.04971	7.9
107.08597	28.3
107.09293	2.0
109.02884	9.5
109.06533	4.9
109.10172	5.8
115.05445	1.3
115.08701	1.2
116.98589	1.1
117.07021	3.5
119.06033	1.1
119.08588	6.7
120.08141	2.0
121.06528	4.6
121.10146	13.3
122.07277	5.7
123.08084	2.4
125.05966	1.3
127.03918	37.6
128.04259	0.9
129.07016	1.1
129.10255	2.0
131.08551	8.2
133.10130	94.4
134.10463	2.8
135.04427	1.4
135.08049	13.1
135.11642	2.2
136.04601	0.9
137.09615	45.1
145.04953	19.9
145.10147	3.8
147.11699	9.5
149.09621	3.5
149.13249	13.6
151.11140	1.6
157.13284	1.4
158.11000	1.7
158.99643	1.8
161.13220	1.3
163.06027	10.7
163.14835	3.9
173.13264	16.1
174.51588	0.9
175.14867	1.4
186.08665	1.8
187.06049	2.1
191.14310	100.0
192.14651	2.8
205.07115	1.3
209.13634	3.1
209.15359	33.2
209.17268	2.0
210.15665	1.3
250.44035	1.1
257.12378	1.1
269.10660	1.3
271.08231	1.5
297.61603	1.3
307.10168	1.6
336.25375	1.4
354.26477	1.5
400.72827	1.0
515.18207	14.8
515.31683	1.8
516.23633	3.5
516.31146	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	515.2829
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
52.62196	0.3
55.34595	0.3
57.94625	0.3
67.05479	0.4
69.77248	1.3
70.06553	1.4
72.08131	0.5
78.42839	0.3
81.07016	0.5
83.76867	0.3
84.08087	0.5
86.09673	0.6
88.23592	0.4
91.51736	0.4
93.07018	0.6
95.08588	0.5
98.23253	0.4
105.07000	0.3
105.70904	0.7
105.71523	0.5
107.08573	0.5
109.06508	0.3
110.07107	0.6
127.03921	0.6
129.10204	0.5
185.04231	1.7
191.14236	0.8
228.95428	0.3
265.13330	0.5
290.05930	0.4
311.13812	0.5
317.08475	0.4
335.21954	0.6
351.21506	0.5
352.21619	0.4
353.22949	100.0
354.23328	5.2
420.71143	0.4
515.28229	91.4
516.28589	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	515.2831
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
67.05492	0.6
67.52988	0.5
69.03407	0.7
69.46105	2.0
69.46523	1.0
70.06599	2.2
71.04997	0.6
71.14169	0.6
72.08146	1.3
81.07056	1.1
84.08139	1.6
85.02899	1.2
86.09710	1.0
93.07047	0.8
94.32442	0.5
95.08580	0.5
101.23770	0.5
103.03963	0.8
105.07098	0.6
107.08612	0.7
107.58842	0.5
109.10229	0.7
112.08701	0.7
119.08633	0.6
121.10158	0.7
121.59444	0.5
127.03893	1.1
129.10269	1.2
145.10150	0.6
167.28491	0.5
177.05627	0.7
185.04396	0.6
187.14929	0.5
191.14252	0.6
199.89795	0.5
203.05219	0.9
219.44800	0.5
230.62990	0.5
246.82895	0.5
248.12622	0.5
251.11694	1.3
265.13376	1.8
269.72470	0.6
293.12662	0.5
311.13983	0.6
335.21701	1.1
337.23502	1.1
353.22958	33.0
354.23288	1.8
404.17352	0.6
507.46710	0.6
515.20355	7.3
515.28198	100.0
515.35120	5.1
516.28613	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	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26760	2.7
75.16762	0.4
87.04459	0.6
102.41070	0.5
143.37871	0.4
203.05252	0.8
224.18987	0.5
225.14009	0.4
313.27484	0.6
322.55576	0.4
515.31964	100.0
516.32281	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02076	0.3
69.33029	2.3
78.70706	0.5
117.61759	0.4
120.80279	0.4
120.91151	0.4
145.09340	0.3
189.54970	0.4
211.19885	0.3
232.72478	0.4
515.31921	100.0
516.32269	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01861	2.4
55.05507	18.9
56.05853	1.0
57.03434	8.7
57.07063	4.1
60.75108	0.9
61.02918	5.0
65.03932	4.7
67.05505	94.8
69.03419	4.6
69.07070	17.6
70.56978	2.8
70.57317	1.2
71.04983	4.1
72.42100	1.1
73.02897	3.2
75.04488	1.1
79.05489	57.4
80.05808	1.8
81.03412	3.7
81.07054	100.0
82.07383	2.0
83.04960	3.9
83.08621	8.7
85.02909	6.1
85.06547	3.4
91.03950	3.6
91.04907	1.7
91.05479	32.9
93.07043	70.9
94.07365	2.7
95.04959	5.5
95.08606	77.1
97.02882	4.5
97.06525	3.8
97.10162	5.0
99.04497	1.2
99.08084	2.3
105.07029	24.9
107.07863	1.9
107.08591	39.4
108.08952	2.3
109.02876	1.2
109.06507	4.7
109.10152	40.1
111.08079	2.1
113.09632	1.1
117.07023	12.1
119.08575	19.7
121.06526	2.3
121.10140	40.6
123.08061	2.1
123.11707	19.5
125.09608	1.5
127.03891	2.3
129.06963	2.6
131.08572	23.4
133.06497	1.5
133.10129	17.1
135.08032	1.6
135.11691	30.2
137.09615	1.9
137.13242	8.7
139.11212	1.8
143.08559	2.4
145.04942	1.7
145.10115	19.8
147.11681	16.1
149.09692	1.0
149.12122	2.1
149.13245	20.6
151.11215	2.2
151.14809	2.4
157.10088	1.7
159.08084	1.3
159.11694	20.2
161.13257	14.2
163.11140	1.4
163.14845	11.6
165.12708	2.8
171.11705	2.1
173.13264	16.5
175.11177	1.2
175.14859	3.5
177.12720	1.7
177.16412	5.8
177.63075	1.1
179.14340	2.4
184.07327	1.9
187.14799	8.7
191.14224	1.3
199.14917	1.9
200.54567	1.1
201.16412	3.0
205.15816	2.3
233.22618	3.3
243.21085	26.0
261.22125	76.7
262.22409	3.1
279.23260	4.3
291.23389	2.0
301.21567	1.6
325.08548	1.1
335.25751	22.7
345.24231	1.9
353.26840	14.0
363.25372	1.3
369.24380	1.8
419.28098	2.0
443.27643	1.4
497.30692	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
51.66261	0.6
53.03952	4.2
55.01875	2.3
55.05510	20.3
56.18335	0.7
57.03432	5.3
57.07079	4.9
58.37817	0.7
60.69186	0.6
61.02921	2.3
65.03930	4.3
66.41742	0.6
67.05504	100.0
68.05840	1.3
69.03433	5.0
69.07067	17.8
71.04991	3.8
71.08631	1.9
71.30488	0.8
73.02895	1.1
75.04483	1.3
76.20213	0.6
77.03920	1.4
78.44491	0.6
79.05492	65.6
80.05820	0.9
81.03423	3.9
81.07055	98.9
82.07430	1.3
82.50514	0.7
83.04981	2.8
83.08617	9.3
85.02897	3.5
85.06540	3.2
86.61543	0.6
91.03962	1.2
91.05478	39.9
92.05805	0.8
93.07042	80.1
94.07369	1.4
95.04965	6.9
95.08604	72.5
96.08945	1.1
97.02891	1.5
97.06527	4.3
97.10173	4.1
99.08101	4.6
103.03960	1.3
103.05469	1.2
104.20907	0.8
105.04504	1.8
105.07028	29.7
106.07355	1.0
107.04954	1.9
107.08593	49.6
108.08901	0.7
109.06535	4.6
109.10155	41.3
110.10484	0.7
111.04388	0.8
111.08090	3.6
111.11720	0.9
113.09640	1.9
115.05414	1.3
117.07032	14.2
119.08578	24.0
121.06521	1.4
121.10140	43.8
122.10478	0.7
123.08062	3.1
123.11703	20.2
125.09623	2.0
127.03886	0.8
127.11162	0.8
129.07033	3.5
130.07791	1.3
131.08566	28.8
132.08928	1.1
133.06528	0.9
133.10121	19.1
135.08075	2.1
135.11688	33.2
136.11954	0.8
137.09601	2.3
137.13237	7.1
139.11169	1.6
141.06967	0.9
143.08566	2.3
145.04875	0.9
145.06464	0.7
145.10123	24.6
145.11263	1.4
146.10588	0.8
147.08037	1.1
147.11682	18.2
149.09621	1.2
149.13257	26.1
150.13626	0.8
151.11163	2.2
151.14830	1.9
152.18433	0.6
153.12758	1.6
155.08568	1.2
157.10167	2.8
159.07964	0.9
159.11687	20.7
159.12999	1.4
161.09663	0.8
161.13258	15.2
162.13586	0.6
163.11163	1.8
163.14806	15.0
164.15146	0.7
165.12767	2.7
169.10193	1.0
171.11702	2.2
173.09616	0.8
173.11829	0.7
173.13254	19.4
174.13530	0.8
175.14848	4.4
177.12741	2.6
177.16377	7.6
179.14285	2.8
184.07239	0.8
185.13277	1.6
187.14818	10.9
188.15160	0.7
189.16434	1.2
191.14281	2.0
197.85489	0.7
199.14818	0.9
201.16351	3.9
205.15880	2.1
209.15331	0.8
213.12720	0.8
215.17984	2.2
219.17435	1.4
233.19002	0.9
233.22652	3.5
243.21071	32.9
244.21417	1.2
259.20700	0.7
261.22131	92.8
262.22491	4.4
263.23584	0.8
269.17404	0.8
275.23611	0.8
279.23117	2.8
285.21902	1.0
291.23260	0.7
301.21579	1.4
303.23169	1.8
308.28601	0.6
317.24710	0.9
327.23221	0.7
335.25803	12.4
339.23416	0.7
345.24313	1.4
351.22845	1.0
352.04654	0.8
353.26813	14.3
363.25443	1.0
369.24213	2.0
377.26764	0.9
387.25269	1.1
405.26285	1.5
419.27423	0.9
443.27658	1.0
449.29202	0.8
461.28787	1.7
497.31000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15455	1.3
52.28706	1.7
53.03927	5.4
55.01875	3.0
55.05507	19.9
57.03431	10.7
57.07070	4.5
61.02917	5.7
65.03931	3.2
67.05503	97.3
69.03422	5.3
69.07073	19.5
71.01334	2.1
71.04990	3.7
71.30470	2.5
73.02905	4.1
77.03945	1.6
79.05489	59.4
81.03413	5.2
81.07053	100.0
83.04957	4.3
83.08620	8.1
85.02896	6.5
85.06537	4.5
91.03941	4.4
91.05475	34.2
93.07040	65.1
95.04948	6.0
95.08601	73.9
97.02895	5.2
97.06512	4.3
97.10160	4.4
99.04411	1.8
99.08081	2.5
104.10722	2.7
105.04519	2.0
105.07031	27.0
107.07875	2.5
107.08587	39.2
109.06522	6.6
109.10154	35.2
111.08072	2.2
117.07010	13.1
119.08577	23.1
121.06505	2.3
121.10135	39.3
123.08041	3.2
123.11699	19.7
125.09589	2.4
127.03955	2.0
129.06958	4.0
131.08549	20.5
133.10126	19.3
135.08054	3.5
135.11702	29.2
137.13213	5.7
143.08632	2.0
145.10094	17.3
147.07869	1.8
147.11671	16.0
149.09668	2.2
149.13249	17.1
151.11157	2.5
157.10132	2.1
159.11716	18.1
161.13271	12.1
163.11128	2.0
163.14792	12.5
171.11720	2.0
173.13269	18.3
175.14822	2.6
177.12816	1.9
177.16441	4.1
179.14238	3.9
183.11464	1.9
185.13403	2.3
187.14803	9.1
189.12605	1.7
191.14281	2.6
201.16354	4.7
205.15851	3.4
215.18022	2.5
233.22589	2.4
243.21088	23.2
261.22141	67.7
262.22488	4.3
279.23227	3.6
285.22070	3.2
301.21878	2.4
303.23148	4.4
335.25775	23.3
345.24075	3.1
353.26727	12.3
369.23917	2.1
385.51926	1.7
419.27975	2.7
497.30969	5.1
497.76724	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.05518	22.3
56.01032	2.4
57.03442	7.2
57.07063	3.9
61.02924	3.4
65.03934	3.8
67.05507	94.2
69.03438	7.4
69.07067	18.3
70.56849	2.0
70.57169	5.0
71.05003	3.1
71.08620	3.1
73.02895	2.3
79.05496	61.8
81.03426	5.8
81.07058	100.0
83.04987	5.3
83.08607	13.6
85.02914	3.8
85.06550	5.0
91.03944	2.8
91.05486	42.9
93.07043	76.9
95.04984	6.3
95.08611	81.9
97.02907	4.5
97.06559	4.4
97.10176	7.3
99.04496	2.2
99.08100	3.9
105.04513	2.4
105.07037	28.7
107.05025	2.8
107.08591	44.6
109.06551	4.6
109.10155	39.2
111.08060	3.9
113.09686	4.0
115.05454	2.0
117.07007	11.8
119.08585	24.8
121.06473	2.5
121.10146	44.8
121.11540	2.1
123.08093	3.4
123.11731	19.7
125.09707	2.6
129.07008	5.3
131.08568	29.7
133.10155	16.3
135.11694	37.4
137.13263	5.4
143.08643	4.8
145.10126	23.4
147.11696	13.3
149.13242	22.2
157.10172	2.9
159.08105	2.2
159.11748	16.8
161.13206	12.5
163.11226	4.0
163.14842	16.5
165.12775	2.4
169.10258	3.1
171.08083	1.9
171.11711	4.4
172.95311	2.4
173.13255	21.5
175.14838	5.8
177.12898	2.2
177.16408	7.4
185.13322	2.7
187.14844	14.4
201.16449	2.7
202.02867	2.7
210.97751	4.2
233.22813	3.6
243.21069	28.4
259.20480	2.4
261.22141	77.2
262.22595	5.8
274.51361	2.0
277.21646	2.8
279.23163	2.5
283.20844	2.4
303.23199	4.8
335.25739	14.1
345.24359	4.5
353.26794	10.7
369.24271	5.5
387.25214	3.8
405.26163	2.9
419.27884	3.0
473.20102	3.0
479.29871	3.1
490.49619	2.2
497.31137	3.7
516.24347	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	516.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05034	1.2
56.96566	0.5
60.05655	0.5
67.05509	0.6
68.05013	0.5
69.03432	0.4
69.63349	2.1
70.06593	100.0
71.06918	2.4
72.08158	7.6
74.06074	2.1
74.35363	0.3
81.65153	0.4
83.06077	0.5
84.04501	4.4
84.07688	0.7
84.08150	7.2
85.02948	0.5
85.06545	1.1
86.09703	4.3
95.78722	0.4
98.06020	0.4
98.97578	1.1
101.07133	1.6
102.05573	0.9
110.07161	0.8
112.07607	86.8
113.07957	2.1
115.08701	0.9
117.10251	0.4
128.98582	0.6
129.10255	3.1
130.04974	1.2
130.08606	0.4
139.08665	0.6
140.07065	54.5
141.07431	1.3
141.10297	0.5
143.67946	0.5
144.16899	0.4
148.06050	2.5
153.40698	0.4
157.09734	16.8
157.10939	0.6
163.04068	0.4
175.11880	0.4
183.14919	0.4
184.83058	0.4
191.35843	0.4
204.29585	0.4
213.08801	0.5
219.01814	0.9
225.17049	0.5
231.09810	0.6
237.02768	0.5
240.13451	4.3
249.10738	2.6
268.12927	14.6
307.13873	0.5
323.17072	1.2
324.15320	0.8
325.15033	0.5
341.18344	0.9
351.16486	1.7
352.14920	0.5
359.15674	0.6
369.17673	3.7
403.25690	1.0
435.18405	0.5
453.20050	0.6
457.26480	0.6
480.20599	0.9
481.19385	4.9
498.21939	10.1
499.22229	0.8
516.10596	0.9
516.22095	0.7
516.33612	9.5
517.30524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.05512	6.7
56.60635	3.8
57.03443	4.3
67.05495	5.7
69.00732	34.0
69.03429	26.4
69.07073	12.8
70.06597	31.5
71.04993	8.0
71.06927	3.8
72.08163	23.9
73.02919	6.3
76.27697	4.2
79.05468	5.2
81.03435	18.5
81.07041	11.8
82.06567	5.2
84.08149	13.6
85.02905	66.5
86.09699	23.9
87.04461	4.4
91.05482	8.6
93.07043	11.0
95.04987	7.9
95.08598	10.8
95.70345	3.5
97.02902	34.5
97.06510	8.3
98.22546	7.9
99.04463	48.8
101.47300	3.5
103.03944	71.3
105.07038	14.0
107.08583	16.7
109.02878	19.7
109.06506	8.5
109.10162	12.8
110.07172	5.1
110.09657	6.0
111.08110	3.7
112.07609	7.0
119.08591	32.6
120.08083	5.7
120.08876	4.4
121.06479	4.4
121.10149	11.2
123.11700	4.0
125.09661	7.4
127.03915	100.0
128.04288	6.5
128.10735	22.4
129.10226	9.6
133.10132	32.1
135.11702	11.7
136.08446	4.6
137.09590	6.7
138.05446	3.7
145.04968	55.4
145.10071	6.0
147.11626	6.6
163.06033	39.9
173.13298	11.6
175.14842	67.9
187.06064	7.3
191.14337	20.5
192.14722	18.5
193.15880	17.5
205.07024	7.7
209.15405	10.7
210.15689	12.8
211.16884	19.0
271.08176	6.8
283.81390	4.1
318.27908	5.7
336.28763	8.0
354.29932	9.4
422.09683	4.3
455.22403	7.6
516.20093	7.6
516.34674	20.5
517.22394	47.6
517.29395	5.5
524.35388	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	516.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33356	0.3
55.05523	2.2
56.05036	1.4
60.04497	0.5
67.05492	0.6
68.04998	0.4
69.03435	0.5
69.07069	6.1
69.55430	1.1
69.55830	0.6
70.02942	0.6
70.06200	0.6
70.06590	11.7
71.04985	0.4
72.08154	26.1
73.08495	0.7
74.06061	0.5
75.05592	0.5
79.08237	0.3
81.03386	0.4
81.07034	0.4
82.06580	0.5
82.45506	0.3
83.06107	0.4
84.04510	2.9
84.08136	5.8
85.02914	0.7
85.04022	0.8
85.08508	0.4
86.09704	100.0
87.10039	2.2
88.04012	2.3
90.05531	0.5
91.05436	0.3
93.07057	0.4
95.04979	0.8
96.04504	0.6
96.08141	1.4
97.02889	0.5
98.02437	0.4
99.05581	0.6
101.07149	0.6
102.05534	1.4
103.03951	0.5
109.10180	0.4
110.02423	1.0
110.07169	1.0
112.07598	0.5
112.08727	0.8
114.09148	2.7
116.07095	0.5
117.60291	0.3
118.08654	5.5
119.04932	0.5
120.02243	0.4
120.08099	1.7
127.03986	0.8
127.05062	1.4
129.06618	0.5
129.10234	7.5
132.10207	0.7
136.07602	0.5
137.09769	0.4
138.05539	0.7
140.14406	0.7
143.11819	3.7
144.06572	1.2
145.05045	0.5
145.06068	1.6
155.08195	0.4
155.11862	0.5
156.06615	0.7
156.10236	0.7
157.09689	0.7
157.10890	0.4
157.13402	1.4
159.09137	0.5
161.09239	0.7
162.07619	0.6
166.05032	1.2
169.09842	0.4
169.13361	0.5
171.11305	2.4
173.05574	3.1
173.12976	0.4
175.10713	2.5
175.12106	0.9
183.11345	1.5
185.12865	1.0
185.16487	0.8
199.18040	12.4
200.18457	0.4
201.12337	3.0
209.09273	0.6
213.16046	1.0
215.13988	1.0
226.11823	2.7
227.17567	7.7
229.11848	3.0
237.08774	1.2
243.13470	0.5
244.12793	0.8
247.12929	0.5
254.11345	0.7
255.09851	1.7
270.18204	2.3
271.17673	0.6
272.12433	4.4
274.17633	0.7
284.19775	0.9
286.13971	2.7
288.20322	1.1
290.13446	5.0
307.05673	0.5
314.16968	0.4
337.06967	0.4
339.20383	1.2
342.20322	3.5
347.09332	0.5
349.07294	0.8
354.26480	0.8
357.21359	0.9
367.19458	0.5
379.08386	0.5
385.20767	2.2
391.07990	0.6
399.22351	1.0
401.28687	0.6
403.22180	1.5
420.22919	0.4
470.29993	0.6
481.11426	0.6
498.29330	0.7
499.12720	0.8
512.33374	0.4
516.21820	1.6
516.31293	6.8
517.22638	3.8
517.30280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.05025	2.3
58.06577	0.5
58.90552	0.4
67.05492	0.4
69.03416	0.4
69.04612	3.2
69.07067	4.5
70.06586	2.9
72.08146	2.7
74.06083	3.5
81.07063	0.6
84.04480	0.5
84.08142	1.3
86.09701	100.0
87.10037	1.3
95.08593	0.4
98.06071	0.9
102.05530	0.4
107.08626	0.6
109.83696	0.3
111.30111	0.3
114.09151	0.7
116.07112	1.0
120.08099	0.8
126.04606	0.3
126.05500	5.9
127.03898	0.6
129.10188	0.5
143.11789	0.4
144.06534	0.7
157.13358	4.5
161.99828	0.4
167.03323	0.4
185.12851	5.0
187.14391	0.5
189.12366	2.2
195.11223	0.4
201.12334	0.9
211.14471	1.7
215.14024	0.5
215.22614	0.4
229.15410	0.5
239.13885	19.7
240.14326	0.8
257.14963	16.5
258.15286	0.9
260.16132	0.8
298.21320	0.4
300.19052	1.7
328.18628	26.3
329.18884	1.4
339.65524	0.4
355.79440	0.3
373.18365	0.5
441.27383	0.7
455.22528	0.9
516.23981	2.1
516.31927	3.3
517.22577	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	516.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.9
56.05032	0.7
57.03431	1.0
57.07066	1.2
58.06570	0.8
60.08167	5.9
67.05498	2.6
69.07078	4.2
71.07385	4.0
79.05494	2.0
81.07053	3.9
83.08633	3.4
86.09711	23.9
91.05492	1.4
93.07048	2.5
95.08629	2.9
97.10180	2.5
104.10749	100.0
105.11069	1.6
107.08607	1.7
109.06532	0.6
109.10155	1.6
113.00021	2.5
121.10149	1.9
123.08012	0.9
123.11777	0.7
131.12675	0.6
135.11703	1.7
146.97089	1.2
146.98186	12.6
180.53026	0.5
229.24339	0.6
311.25790	4.6
405.30060	1.3
421.29205	0.7
457.23279	53.2
458.23541	4.0
516.30609	14.8
516.38123	1.1
517.31281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25593	0.5
58.06624	0.5
60.08167	6.9
63.76213	0.4
67.05507	0.7
70.06583	0.7
71.07375	3.0
79.05498	0.7
79.34517	0.4
86.09708	34.6
87.10020	0.6
91.05505	0.7
98.23353	1.4
98.98484	3.4
104.10739	2.7
107.08610	0.5
107.16779	0.4
109.10152	0.5
110.27628	0.4
114.75564	0.4
117.97395	0.4
125.00008	24.6
184.07346	100.0
185.07689	1.8
314.96188	0.5
377.26926	0.4
443.27252	0.4
498.29642	1.1
516.30914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05035	1.1
60.04528	1.0
60.05648	6.9
68.05016	0.8
69.01523	4.2
69.07082	1.1
70.06593	95.5
71.04996	5.2
71.06923	1.5
72.08157	7.9
73.08478	0.7
74.06069	0.9
78.27181	0.4
83.06137	1.1
84.04520	2.9
84.08149	6.1
85.07686	1.2
86.09708	37.6
87.05611	0.8
87.09217	0.5
87.10069	0.9
88.03988	0.5
88.07626	1.8
89.11984	0.5
91.05476	0.7
95.06104	0.9
96.87612	0.5
97.07669	1.5
98.06061	4.0
101.07169	0.8
102.05564	1.4
110.06036	0.6
110.07170	10.0
112.08730	32.4
113.07143	1.5
113.10739	0.6
115.08695	5.2
116.07125	1.7
120.08106	2.9
127.08678	0.7
128.10739	0.6
130.06558	0.7
136.07596	0.9
138.12788	3.7
140.08199	6.1
141.10277	1.2
143.11839	0.6
157.10869	6.7
158.09218	0.6
165.13858	0.9
175.11905	0.9
182.16533	2.0
183.11351	0.6
183.14937	9.7
185.09239	0.7
185.16588	0.6
197.12900	0.5
199.18036	2.6
201.12418	1.3
208.14470	1.5
210.16037	3.5
211.14426	2.2
213.65256	0.5
215.13893	0.9
217.11833	0.9
225.17111	30.0
226.17303	1.0
227.17552	0.6
229.15465	0.9
236.13948	1.2
242.19778	3.7
247.12927	1.4
253.16609	4.2
255.14508	2.5
266.48279	0.5
269.20950	0.5
270.19250	2.3
271.17514	0.9
288.20132	0.9
338.25381	0.9
355.28186	3.1
365.26480	0.5
366.25101	1.8
381.16510	0.6
383.27631	6.1
388.46570	0.5
391.65588	0.5
399.17856	0.6
401.28827	2.3
472.03946	0.5
498.30307	1.5
499.28796	5.4
516.31421	100.0
517.31787	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	516.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01378	0.7
55.05511	1.1
56.05033	1.4
57.03442	1.8
58.06597	4.7
61.02920	1.7
67.05495	4.9
69.03426	4.6
69.07100	0.8
70.06593	4.8
70.60870	1.7
70.61217	1.4
71.05006	2.2
72.08159	2.1
73.02932	1.7
79.05495	2.8
81.03429	1.6
81.07047	5.0
81.50630	0.8
84.08147	11.5
85.02916	6.5
86.09692	1.1
87.04450	1.2
91.05481	1.3
95.08627	2.4
96.08140	2.2
97.02888	2.0
109.10182	1.0
110.09691	1.4
112.11237	1.2
115.16880	1.0
117.14470	0.7
121.10193	1.0
123.08076	2.8
127.03905	1.3
128.10736	2.0
140.81816	0.7
194.19061	0.9
229.15474	0.9
229.91995	0.8
242.99130	0.8
248.23875	2.6
264.23154	2.1
290.28375	3.4
302.28552	1.0
318.27899	11.8
319.28482	1.1
320.29453	4.6
336.28992	20.5
354.30014	24.2
355.30463	1.5
468.93008	0.8
497.05179	1.0
498.34134	4.4
516.35352	100.0
517.35602	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	517.2048
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.05499	1.2
58.70894	0.9
67.05476	0.8
69.07065	1.3
69.70809	2.6
70.06581	2.4
72.08148	2.3
79.05492	1.1
81.07060	1.0
83.08604	1.1
84.08130	2.5
85.02929	0.7
86.09708	2.4
93.07052	0.8
97.42071	0.8
98.97575	4.0
100.11249	4.2
100.25120	0.8
107.08602	1.1
110.07186	1.0
116.98631	1.7
120.08108	0.9
129.10240	2.0
142.12260	1.0
143.29994	0.7
144.89224	0.8
158.99663	1.2
168.13838	1.3
173.01292	1.0
177.00732	1.0
182.15466	1.9
191.02417	1.0
193.79977	0.7
196.13287	1.1
210.14943	1.3
228.15941	0.8
261.14551	0.9
271.12149	2.5
313.13187	2.3
327.14758	1.0
353.22964	2.0
354.23538	2.7
355.23544	3.6
457.18008	0.8
517.20471	100.0
517.28345	6.7
518.20850	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	517.2049
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.05517	0.9
56.27489	0.6
56.96554	1.3
67.05500	1.2
69.07053	1.0
69.70900	2.7
70.06591	21.9
71.06876	0.6
72.08144	1.7
73.12488	0.7
81.03374	0.6
81.07041	1.6
83.08615	0.7
84.08139	2.2
84.95998	0.9
86.09703	7.8
91.05467	0.7
98.97581	4.4
100.11250	0.7
107.29539	0.6
110.07157	1.5
116.98641	2.1
119.44311	0.8
120.08113	1.8
123.19865	0.6
128.10721	0.7
128.87215	0.7
128.98593	0.6
129.10240	1.3
131.08583	0.9
146.99553	0.8
166.90396	0.6
219.01826	1.4
222.59872	0.6
237.02838	2.7
245.10561	0.7
263.13937	10.1
271.12170	1.3
373.15228	2.1
375.23465	0.7
391.16391	3.9
415.16574	2.5
433.17322	2.2
473.32535	1.4
517.20435	100.0
518.20819	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	517.2055
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
53.27153	0.7
58.06612	1.3
58.99585	1.1
59.09361	0.8
65.68445	0.7
70.06590	2.7
71.28871	1.1
72.08138	2.3
76.02222	4.8
81.03409	1.5
84.04501	1.8
84.08141	2.8
86.09704	2.8
115.15008	0.9
116.01674	1.1
144.82330	0.8
162.02185	2.4
179.04860	4.0
211.61230	0.9
214.72743	0.9
219.01732	1.0
233.06033	1.6
273.53256	0.8
308.09222	1.7
385.15186	1.1
427.96515	0.9
429.30331	0.9
455.22488	1.4
517.20581	100.0
518.21429	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	517.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05521	0.6
56.05040	0.8
60.04535	0.5
67.05493	0.5
67.61215	0.3
69.03434	1.2
69.07066	1.6
70.06595	5.2
71.06916	0.5
71.30601	0.5
72.08150	4.4
73.08485	0.4
74.06086	0.5
79.05497	0.9
81.03413	0.9
81.07083	0.4
83.04994	0.7
84.04510	2.0
84.08137	3.3
85.02908	2.1
86.09708	15.1
87.10049	1.0
88.04023	0.5
91.05492	0.8
93.07031	0.7
94.06660	0.4
95.05023	0.6
96.08134	4.0
97.02908	1.2
98.06020	0.3
99.04469	1.1
102.05553	1.2
103.03951	1.7
105.07083	0.5
107.08612	0.4
109.02886	0.8
109.10151	0.6
110.07190	1.1
112.08739	0.5
114.09172	8.5
116.07114	0.4
119.04931	0.3
120.08113	1.6
121.10141	0.5
121.62505	0.3
126.64674	0.4
127.03923	2.6
129.10255	1.7
130.06516	0.4
132.10210	0.6
133.10213	0.6
136.07596	1.2
137.05939	0.4
137.09583	0.6
141.10240	0.3
143.08267	0.4
145.04962	1.6
149.09627	0.5
153.12738	0.4
157.13373	0.4
159.09229	0.8
162.07672	1.3
163.06044	0.7
170.05884	0.4
172.09727	0.4
173.12872	1.6
177.05502	0.7
193.15891	0.5
197.12892	0.6
201.12447	1.4
211.13071	1.1
215.13992	1.8
243.13466	0.9
272.12061	0.4
272.16187	0.4
275.16046	1.6
285.09518	0.5
287.07492	0.6
295.05991	0.5
300.16537	0.3
307.05923	0.4
333.07700	0.4
347.09476	3.6
355.17361	0.4
356.27863	1.9
373.18292	5.3
374.18533	0.5
379.08112	0.9
391.08243	0.4
397.08865	0.4
415.19351	1.8
451.10315	0.5
455.22501	11.6
456.22852	0.7
457.20520	9.3
458.20499	0.6
473.20709	0.4
481.11307	0.7
491.71338	0.4
499.12802	0.4
499.21606	1.4
517.22577	100.0
518.22943	7.5
518.33209	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	517.226
Annotation	YM022
Peak:m/z	Relative Intensity
50.70023	0.2
55.05498	0.4
56.05018	0.2
58.06594	0.3
69.02115	2.4
69.03426	0.5
69.07068	0.6
70.06594	1.8
72.08154	3.4
73.25198	0.2
74.06078	0.5
75.93576	0.2
79.05512	0.3
81.07085	0.3
83.04984	0.2
84.04507	0.8
84.08148	0.8
85.02918	0.7
86.09712	4.2
86.10235	0.3
88.32780	0.3
91.05478	0.3
91.68810	0.2
95.08582	0.2
97.02923	0.2
98.22574	0.5
99.04478	0.2
102.05539	0.3
103.03943	0.3
110.07140	0.4
113.73199	0.2
114.09161	0.5
115.03815	0.2
120.08097	0.6
126.42273	0.2
127.03919	0.5
129.10237	0.6
130.06625	0.3
132.08128	0.2
133.02858	0.4
133.10188	0.2
144.06564	0.5
146.11679	0.3
159.09172	0.6
159.41298	0.2
162.07648	0.5
185.04272	0.5
193.12015	0.2
197.12825	0.2
201.12373	0.3
211.13068	0.6
215.13954	0.6
240.34813	0.2
243.13393	0.5
256.12857	0.3
275.16104	0.5
285.09509	0.6
287.07419	0.6
305.77786	0.3
329.08444	0.7
347.09467	2.6
355.17175	0.5
356.27942	0.5
373.18338	4.8
374.18936	0.3
415.19461	1.4
437.21506	0.8
439.19864	0.3
455.22537	11.7
455.28949	0.6
456.22992	0.9
457.20416	7.5
473.05145	0.2
479.40781	0.3
499.21487	3.0
517.22565	100.0
518.22882	6.6
518.32959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2258
Annotation	YM022
Peak:m/z	Relative Intensity
55.05509	0.4
69.52623	1.7
70.06589	1.1
72.08152	0.8
84.08146	0.9
86.09713	1.1
99.60765	0.4
100.11259	1.3
101.07158	0.5
127.74947	0.4
132.58530	0.3
137.06006	0.6
143.94164	0.3
145.02861	1.4
177.05461	1.9
203.23543	0.3
303.39160	0.4
305.08453	1.0
355.17307	3.9
365.10599	3.7
516.38446	1.2
517.22522	100.0
518.22949	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	517.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05022	0.5
57.02587	0.4
58.06594	0.7
60.04546	0.5
61.91155	0.4
69.03421	0.5
69.07084	0.4
69.26389	3.5
70.06321	0.4
70.06602	4.6
71.01793	0.4
72.08152	4.3
79.68821	0.4
81.07024	0.6
84.04496	1.1
84.08148	1.7
85.02904	0.7
86.09713	6.7
87.10030	0.7
95.04946	0.5
96.08106	1.4
103.03966	0.5
108.82140	0.4
110.07144	0.7
114.09180	2.0
114.10335	0.6
115.08681	0.5
115.09468	0.4
119.04956	0.4
119.08589	0.4
120.08110	0.6
121.02871	2.6
121.06496	0.4
127.03941	0.9
129.10249	0.8
133.10129	0.6
143.11801	0.4
145.02811	0.6
152.89738	0.4
159.09280	0.5
187.99983	0.4
193.12218	0.9
203.03458	1.2
211.13086	1.0
285.09326	1.1
287.07471	0.7
288.76651	0.5
293.08105	0.6
295.06088	2.4
296.06696	0.6
307.05963	2.7
308.06741	0.8
309.07593	0.7
321.07440	2.7
322.08130	0.9
325.07089	1.8
329.08420	0.8
333.07477	1.8
335.09149	1.2
337.06946	1.0
345.07697	1.1
347.09500	2.9
349.07059	2.5
351.08594	1.3
361.07141	1.5
363.08707	1.1
373.07504	0.8
373.18256	3.6
375.08688	1.0
379.08139	3.2
391.08282	1.9
397.08972	2.2
403.07944	0.7
409.09277	2.3
411.19666	0.6
415.08481	0.7
415.19144	1.2
427.10300	0.9
433.09210	1.6
445.09451	1.0
451.10187	1.9
455.22476	10.0
456.22659	0.8
457.20450	6.0
463.10269	1.4
469.11246	2.2
470.11676	0.5
473.19461	1.1
481.11322	3.9
482.11786	0.8
499.12280	3.0
499.21503	1.7
517.22546	100.0
518.22815	6.0
518.29663	0.4
521.37988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38441	0.4
55.05499	1.2
56.00411	0.4
56.05033	1.9
57.03444	0.5
57.80175	0.4
67.05476	0.4
69.03433	1.0
69.07060	1.5
69.26148	1.7
69.26566	0.9
70.06593	5.7
71.05001	0.5
71.06902	0.4
72.08155	4.9
74.06082	0.5
79.05480	0.6
81.03416	0.8
83.05005	0.6
84.04505	27.5
84.08145	2.4
84.63212	0.4
85.02895	3.5
85.04884	0.4
86.09705	100.0
87.05589	0.5
87.10011	2.1
91.05487	0.6
91.20209	0.4
95.08598	0.4
96.04495	1.2
96.08141	2.1
97.02901	1.2
98.22601	0.8
99.04462	1.6
102.05540	17.0
103.03937	2.4
109.02900	0.6
109.10161	0.6
110.07182	0.6
113.07130	1.7
114.09172	5.8
116.07088	1.1
120.08102	0.9
121.02866	1.2
124.07584	0.8
124.11216	0.4
127.03924	2.7
129.06592	3.0
129.10252	1.9
130.04994	0.5
130.06543	0.4
132.08075	0.7
132.10199	0.6
136.07587	0.6
141.06586	2.9
144.06560	14.4
145.02850	0.7
145.04964	2.3
152.10721	1.8
155.08174	0.7
159.07877	0.5
159.09187	1.2
162.07616	35.0
163.08006	0.6
170.11783	4.0
173.12817	0.5
177.05490	1.6
188.32031	0.4
189.05495	0.4
193.15895	0.5
197.12849	8.8
199.18044	0.9
203.03436	0.5
212.12915	1.0
215.13911	30.3
216.14343	0.6
225.12360	4.3
227.17514	0.6
243.13399	30.8
244.13734	0.9
257.14914	2.1
275.16003	33.2
276.16489	0.8
295.06036	1.0
307.06039	1.2
308.06754	0.7
309.07410	0.5
310.21460	0.9
321.07635	1.6
325.07065	1.3
333.07629	0.9
335.09265	0.8
337.07248	0.9
338.20709	3.1
349.07098	1.5
351.08719	1.0
356.21747	4.3
356.27835	1.0
361.06998	0.7
363.08694	0.6
373.18369	0.8
379.08215	1.7
388.24191	0.6
391.08142	1.5
397.09109	0.9
398.22723	0.4
409.09317	1.5
415.19501	0.5
427.10306	0.7
433.09332	1.1
451.10312	1.8
455.22235	2.0
457.20355	1.6
463.10217	1.0
469.11603	2.0
481.11261	2.5
499.12595	1.3
517.14520	1.0
517.22540	18.1
517.30322	1.7
518.23016	1.0
518.33301	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3023
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
51.96039	0.4
68.05025	0.5
69.07072	4.1
70.06593	100.0
71.06933	1.5
72.08156	4.1
80.60930	0.4
82.61053	0.4
85.02911	0.7
85.48519	0.4
86.09707	33.7
87.10081	0.5
95.08577	0.3
95.82665	0.3
114.09148	2.2
120.08116	1.7
127.03863	0.4
131.08566	0.4
133.10144	0.6
137.61842	0.3
144.14362	0.4
157.10117	0.5
166.08658	1.3
178.03682	0.4
192.51593	0.4
211.14442	0.9
217.13400	1.0
231.66353	0.4
249.78076	0.4
255.17038	1.1
263.13907	52.5
264.14191	2.7
299.11667	0.6
300.65320	0.5
300.70056	0.4
345.70569	0.4
376.22382	1.9
473.32416	0.7
517.20532	8.7
517.28552	1.5
518.19940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93818	2.0
52.90557	1.7
53.03952	3.9
54.17968	1.7
55.05511	28.3
57.03439	8.4
57.07083	10.0
60.08163	4.6
61.02924	4.2
65.03943	2.5
67.05508	86.3
69.03446	3.1
69.07071	35.5
69.32729	14.0
71.04987	2.6
71.08633	5.5
73.89416	2.2
79.05497	28.2
81.03434	2.6
81.07060	100.0
83.04988	4.6
83.08622	24.1
85.02901	7.4
85.06567	5.2
85.10183	2.9
86.09708	14.9
91.05475	21.6
93.07050	31.6
94.07320	1.9
95.04970	2.3
95.08611	81.1
96.08970	2.0
97.02888	4.3
97.06528	8.2
97.10169	13.0
99.04461	1.9
99.08095	5.2
104.10745	17.8
105.07018	17.4
105.74827	1.7
107.08579	20.5
107.47330	1.8
109.06504	3.2
109.10155	41.4
111.08077	4.7
111.11751	3.4
113.00011	20.3
117.07052	3.1
119.08584	15.4
121.10165	23.0
123.08043	9.2
123.11716	23.9
125.00030	11.1
131.08577	3.2
133.10153	20.6
133.11081	2.9
135.08122	3.6
135.11691	12.3
137.09627	2.5
137.13248	8.0
141.12715	2.3
145.10162	3.4
147.11731	12.1
147.52457	2.0
149.13231	10.3
151.11205	2.5
151.14828	6.5
155.14249	4.3
161.13287	15.2
163.14851	10.4
165.16451	7.0
167.14314	2.7
175.14827	10.5
177.16383	3.1
179.14355	8.2
179.18004	5.9
184.07358	40.5
187.03668	5.0
189.16394	5.9
193.15756	2.3
194.59225	1.9
212.86720	2.0
242.27452	2.2
245.22665	43.8
246.22992	3.7
263.23682	53.5
303.26868	2.3
316.90158	2.0
331.26334	10.4
337.27390	45.0
355.28580	2.7
405.30096	13.0
458.23776	2.5
518.32788	3.3
541.87427	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	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.6
57.03422	3.7
57.07068	8.9
67.05506	80.1
69.07061	27.9
69.82223	15.8
70.06626	5.2
71.08607	3.9
79.05499	21.9
81.07058	100.0
83.05012	4.3
83.08617	18.6
85.06555	6.2
86.09702	6.8
91.05488	21.4
93.07062	30.6
95.05000	4.5
95.08607	73.0
97.06555	6.3
97.10179	13.9
98.33755	3.7
99.08108	6.1
104.10743	38.4
105.07034	17.8
107.08570	24.6
109.10155	40.6
111.08092	4.2
119.08581	16.4
121.10144	25.1
123.11710	22.2
125.09659	4.6
133.10121	18.7
135.11688	12.7
137.13271	9.6
141.12764	5.2
145.10103	4.6
146.98190	5.1
147.11673	12.2
149.13274	10.0
151.07535	9.6
151.14844	7.5
161.13242	15.6
163.14857	10.0
165.16389	8.9
175.14891	11.5
177.16296	4.2
179.18015	5.7
184.07356	3.8
189.16443	5.4
203.17935	5.6
206.01762	3.8
222.33101	3.7
245.22668	43.2
263.23682	55.1
331.26147	4.9
337.27310	33.8
371.25851	5.5
445.29230	4.6
459.24832	19.4
473.95087	4.0
517.36676	4.4
518.32153	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	517.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01871	1.5
55.05513	21.3
57.03429	5.8
57.07076	11.9
58.93225	1.1
61.02934	2.5
65.03940	3.9
67.05507	94.4
69.03424	4.3
69.07069	25.9
71.05002	1.9
71.08636	5.8
79.05059	2.4
79.05495	27.2
80.54218	1.1
81.03423	2.6
81.07058	100.0
82.07410	1.6
83.04982	2.7
83.08622	20.2
83.27170	1.1
85.02903	3.8
85.06557	4.4
85.10209	3.8
86.36763	1.2
91.03944	1.9
91.05483	20.0
93.07044	29.9
95.04979	3.3
95.08609	85.4
96.08932	3.1
97.02911	2.1
97.06541	7.2
97.10172	15.6
99.08106	4.6
105.07022	14.1
105.07642	1.2
107.08585	18.9
109.06505	1.2
109.10155	35.9
110.17863	1.1
110.85306	1.2
111.08092	4.1
111.11720	5.1
113.00063	1.7
113.09666	2.0
117.07074	1.8
119.08587	14.3
119.85785	1.1
121.10154	22.5
123.08096	2.0
123.11710	21.1
125.09664	1.4
127.11221	1.8
131.08559	2.7
133.10129	14.5
135.11693	15.7
137.09612	2.9
137.13261	9.5
141.12741	3.7
145.10085	1.7
147.11697	12.0
148.77818	1.0
149.13287	11.6
150.19041	1.0
151.11139	1.4
151.14812	9.7
153.12749	1.7
155.14294	3.8
159.11711	1.4
161.13249	16.5
163.14819	12.0
165.12714	1.6
165.16394	8.2
173.13322	1.3
175.14839	9.4
177.16493	3.1
179.14334	2.2
179.17899	6.5
181.15752	1.4
189.16455	4.5
193.15833	1.3
203.17963	1.8
245.22658	50.8
246.23027	2.9
263.23724	51.3
264.24045	3.3
265.25238	1.4
337.27380	28.4
355.28430	1.3
371.25839	2.8
407.28152	1.4
421.30725	1.3
491.95105	1.2
499.32291	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03947	4.0
55.01881	3.4
55.05517	18.0
57.03445	3.8
57.07079	3.8
65.03934	3.5
67.05508	36.5
69.07069	18.4
71.08622	2.1
79.05502	25.0
81.07063	40.9
83.08629	9.1
91.05476	26.7
93.07046	34.1
93.38654	1.9
94.94244	1.8
95.04970	2.9
95.08609	36.4
95.09160	3.0
97.06572	3.0
105.07024	27.9
107.08602	27.0
109.10160	16.0
117.07009	10.7
119.08585	24.1
121.10145	16.4
123.11737	4.4
129.06992	3.2
131.08585	18.6
133.10120	18.6
135.11734	10.0
143.08595	7.0
145.10117	17.6
147.11691	13.4
148.25609	2.0
149.13260	9.5
151.07600	2.0
151.25198	2.3
155.08583	2.7
157.10194	5.4
159.11679	14.4
161.13254	10.1
163.14917	2.4
169.10196	3.5
171.11768	5.1
173.13310	12.0
175.14919	3.6
183.11710	3.7
185.13275	5.5
187.14870	5.8
199.14862	4.9
201.16444	3.8
213.16516	3.9
227.18240	2.5
231.17352	2.2
241.17900	4.2
259.20694	6.2
273.22427	2.9
299.23795	2.7
313.25107	2.9
333.24429	2.9
391.27985	4.0
405.30130	3.4
407.33075	3.7
425.34216	18.6
443.35123	5.3
499.37836	20.2
500.38184	2.6
517.32367	5.2
517.38953	100.0
518.32397	2.2
518.38904	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	1.6
55.05515	18.1
57.03432	6.0
57.07069	3.5
65.03941	2.9
67.05505	42.5
67.75759	1.1
69.07065	19.5
70.50185	1.8
70.50518	2.6
71.04989	3.6
71.08646	1.5
79.05490	28.8
80.05816	2.2
81.07056	44.3
82.07389	1.6
82.78091	1.4
83.04985	2.4
83.08614	10.5
85.06548	1.8
91.05477	26.2
93.07041	41.2
95.04970	3.5
95.08606	39.6
97.06517	4.2
97.10168	3.7
99.08067	1.7
104.42106	1.4
105.07024	33.7
107.08590	28.4
109.06514	1.8
109.10152	16.0
111.08059	2.0
113.61833	1.2
115.05502	1.5
117.07009	11.0
119.08572	34.1
121.10121	17.4
123.08109	2.2
123.11715	5.1
128.06227	1.4
129.06998	6.6
131.08553	21.2
133.10126	21.6
134.10530	1.3
135.11690	13.0
143.08528	6.6
145.10110	23.6
147.11674	15.9
149.13287	7.3
155.08542	3.8
157.10124	9.4
159.11681	14.7
161.09616	1.9
161.13277	9.6
163.11224	1.7
163.14854	4.1
169.10129	2.4
171.11705	8.2
173.13277	14.5
175.14780	6.0
183.11740	4.1
185.13246	6.9
187.14784	6.4
189.12665	1.3
189.16434	2.8
191.14409	2.3
197.13319	3.4
199.13287	1.6
199.14871	5.4
201.16415	3.6
211.14902	2.7
213.14677	2.6
213.16426	3.7
219.17424	1.6
225.16505	2.0
233.18784	1.4
241.17853	2.8
245.19153	2.6
259.20654	4.3
271.20697	1.7
273.22064	1.6
281.20966	1.6
287.23944	1.4
299.23721	2.7
301.25174	2.3
313.25378	2.7
317.24719	1.9
327.26892	3.2
405.30283	2.6
407.33203	4.8
425.34140	17.6
443.35294	10.2
455.35519	1.4
499.37808	19.2
500.38174	2.7
517.38910	100.0
518.39362	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	518.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11486	1.5
53.03947	6.1
55.05501	1.8
56.05042	1.8
57.03436	2.2
59.39814	1.6
60.04519	1.9
61.02927	2.8
69.03442	11.7
69.07059	2.6
70.06581	11.6
70.67979	2.7
70.68305	2.1
71.04993	7.7
72.08151	39.3
73.02919	4.6
77.51238	1.5
79.05494	1.9
81.03401	11.5
84.04505	5.9
84.08183	3.8
85.02902	63.7
86.09703	30.1
87.10039	3.5
89.03917	4.6
96.08129	15.5
97.02894	37.7
99.04456	37.5
102.05535	2.9
103.03938	75.5
105.07077	1.6
109.02883	16.5
114.09164	38.2
116.04967	1.7
117.03384	7.2
120.08105	4.7
127.03913	99.6
128.04259	2.3
129.10254	2.7
136.07559	3.1
143.11639	1.7
144.06607	1.9
145.02873	22.6
145.04951	58.9
149.05974	2.3
158.39093	1.7
159.09186	3.9
162.07599	3.5
163.03816	2.2
163.06024	31.0
172.09697	3.1
177.05458	51.6
178.05832	1.8
187.06041	4.9
201.12572	1.7
215.13913	4.6
243.13472	4.3
252.92703	1.7
253.00258	1.7
258.15311	1.7
271.08191	4.9
275.15936	2.6
276.16382	1.7
289.09183	5.7
307.10422	3.9
338.26987	2.9
356.28000	8.2
373.59979	1.7
374.18661	2.8
456.22775	10.4
457.20322	2.6
458.20728	6.3
491.31964	5.0
500.22305	1.8
518.22772	100.0
518.32983	33.6
519.23218	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	518.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21021	0.5
50.87604	0.5
69.29615	2.3
69.30020	1.5
70.06593	1.2
77.00924	1.5
78.43645	0.6
79.15775	0.6
82.06551	0.5
84.04491	0.7
84.08116	1.3
86.09703	1.4
89.45782	0.5
91.05457	1.2
93.07044	1.1
95.01916	0.8
98.23418	1.1
98.97543	0.6
103.05452	4.2
120.08103	94.0
121.08440	1.8
128.99086	0.7
129.10266	0.9
131.04951	1.5
132.11368	0.6
147.00137	3.2
160.06096	1.5
162.07678	0.8
166.08594	1.2
170.04539	0.8
175.04794	0.8
178.07120	2.8
180.08708	1.5
188.05598	1.9
194.06638	0.8
200.08002	0.7
205.08252	1.2
206.06621	29.1
207.05074	1.3
207.06903	1.2
215.06567	0.8
216.07466	4.0
217.07996	0.9
218.06772	0.7
221.05354	2.4
223.09430	0.7
224.07672	19.8
225.06033	0.6
232.06938	1.2
233.57353	0.6
241.10390	0.9
242.08740	26.5
243.08978	1.4
244.06992	0.8
248.06467	0.7
261.07172	1.0
262.07928	1.9
279.08240	1.3
280.09174	1.2
289.11902	4.7
290.10205	1.3
294.06995	4.1
299.06494	0.7
307.12888	2.9
308.11481	1.6
317.11264	2.8
325.14041	3.0
326.12408	2.4
330.17059	0.6
335.12405	10.3
336.10574	1.0
353.13437	31.2
354.13770	2.8
371.14508	100.0
372.14722	8.2
389.15649	4.3
394.15973	3.0
488.41916	0.6
518.28430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05511	1.7
56.05035	1.1
58.06609	0.9
60.04224	1.2
60.04528	18.1
67.05508	0.8
67.79671	0.6
68.05013	1.1
69.03422	1.2
69.07058	1.8
70.02956	2.7
70.06592	11.4
70.33178	0.6
71.06924	0.9
72.04520	1.2
72.07757	0.8
72.08157	15.0
74.06081	1.2
79.05505	0.8
81.07068	0.9
84.04510	1.1
84.08135	5.2
85.02907	2.0
86.09708	100.0
87.05593	14.5
87.10040	2.6
88.03988	5.2
93.07047	0.6
95.04991	0.8
95.91852	0.6
96.04485	1.2
96.08134	2.2
98.09702	1.3
102.05530	1.3
110.02415	1.0
110.09636	0.8
112.11211	0.9
114.09163	3.2
115.08682	3.3
117.06812	0.5
120.08104	3.1
127.03915	1.4
128.10728	9.3
129.10237	3.3
130.06546	1.1
132.10210	19.8
136.06253	0.6
136.07581	1.5
141.06604	11.4
141.10217	2.7
143.11768	1.6
144.06419	0.8
155.11784	1.0
156.10229	1.0
157.13387	1.2
159.07666	7.7
159.09154	1.8
162.07782	0.7
166.08635	2.2
169.09801	0.9
170.06003	0.8
171.11273	0.7
173.12863	95.8
174.13197	2.1
176.10469	0.6
183.11317	1.5
185.12935	1.0
187.07147	18.2
187.08842	1.1
187.10750	0.9
201.12347	55.0
202.12581	1.2
204.06482	1.7
212.09125	2.2
215.13945	1.3
216.14459	0.6
217.08569	0.6
223.92651	0.7
227.13950	2.1
229.11920	1.8
247.12920	11.9
254.14951	1.4
272.16068	13.9
272.51324	0.6
275.16025	0.8
300.15488	2.7
306.14929	0.7
318.16623	9.2
321.07050	0.7
328.14679	0.6
338.26962	1.7
341.18057	0.7
356.27951	5.0
357.14056	2.9
369.17554	1.1
387.18811	8.2
388.19034	0.7
397.22363	0.8
456.22781	0.8
457.23657	0.8
466.85608	0.6
472.27524	1.1
482.11420	1.2
500.12473	0.9
500.26785	1.2
518.22321	6.6
518.33984	9.0
519.24292	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	518.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.3
56.05027	1.3
57.05811	0.9
58.06596	0.6
60.04544	1.5
64.22077	0.3
69.03441	0.3
69.07069	0.7
70.02976	0.3
70.06593	9.7
71.06934	0.5
71.29166	0.4
72.08154	100.0
73.08482	1.8
74.06076	1.8
83.06115	0.5
83.71642	0.3
84.04501	4.0
84.08146	4.5
85.02911	0.7
85.18772	0.3
86.09706	13.0
87.05573	0.7
87.10034	0.7
88.03986	0.3
88.89153	0.3
91.05476	0.5
93.04519	0.3
94.43414	0.3
95.76714	0.3
97.02906	0.6
98.02504	0.3
101.07155	1.0
102.05551	1.7
110.06020	0.3
110.07179	2.1
111.09307	0.3
112.08691	0.4
113.07167	0.3
114.09166	1.2
116.07136	0.5
116.10342	0.3
119.04919	0.4
120.08094	1.2
123.04451	0.3
127.03923	0.5
128.10681	0.4
129.06631	1.1
129.10246	3.6
130.04977	0.6
130.10654	0.5
131.08195	0.7
136.07597	1.4
138.09135	0.3
141.06566	0.4
141.10240	2.0
143.11806	1.2
144.06567	0.7
145.02859	0.3
145.07649	0.5
147.07681	0.3
148.06042	1.0
155.08185	0.3
157.09692	0.5
157.13396	0.6
159.07719	0.9
159.09259	0.3
159.11273	6.7
161.09253	0.5
165.19342	0.3
169.09723	4.5
171.11336	1.7
171.14905	3.5
173.12900	1.3
175.11977	0.4
177.05476	0.4
185.16492	0.5
186.12463	0.4
187.07175	0.4
187.10777	5.6
197.12852	0.6
199.14415	5.3
199.18074	0.4
201.12338	2.1
203.03439	1.3
213.16029	0.8
215.13995	0.7
223.14496	0.8
229.11905	0.7
233.11299	6.6
240.13477	0.8
241.15497	0.5
243.13383	0.5
249.10890	0.7
258.14453	0.7
261.14499	0.6
268.16556	14.9
286.14102	2.4
286.17691	11.2
287.17935	0.7
314.17078	0.4
332.18225	1.6
339.07178	0.8
357.24957	3.7
367.23471	0.4
371.22836	0.9
375.20328	0.4
385.24350	3.0
399.22543	0.3
403.19492	0.5
419.21207	0.4
500.27554	0.5
518.28943	2.6
519.29846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2962
Annotation	Arg Thr Leu Glu
Peak:m/z	Relative Intensity
56.05043	1.8
58.06601	100.0
59.06933	0.9
69.03423	0.3
70.06590	1.0
72.08164	0.5
73.05302	1.0
74.06065	0.3
76.02238	1.1
79.91292	0.2
84.04506	0.5
84.08162	0.3
85.02906	0.6
86.09716	0.8
88.07623	1.7
88.07988	0.2
98.27344	0.2
105.07066	0.2
112.08703	0.2
118.08653	1.7
121.10187	0.3
136.07576	0.3
138.94612	0.2
162.02252	0.4
179.04921	0.8
183.26414	0.2
276.91028	0.2
308.09100	0.4
356.24374	2.4
518.29614	40.9
519.23096	0.1
519.29993	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05033	0.5
58.06624	0.3
59.07412	0.1
60.08165	6.6
62.34665	0.1
67.05491	0.6
69.85998	0.5
70.06599	0.1
71.07374	3.4
73.01746	0.1
76.26555	0.1
76.73086	0.1
78.60914	0.1
79.05489	0.3
80.94888	0.1
81.07056	0.4
86.09705	32.6
86.73266	0.1
87.10046	0.4
93.07063	0.3
95.08614	0.2
98.98463	4.3
104.10741	3.5
107.67783	0.1
109.10110	0.2
125.00004	23.1
143.01010	0.2
184.07339	100.0
185.07668	1.2
258.10855	0.1
265.94623	0.1
335.25720	0.2
500.31290	0.8
518.32532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87920	0.2
55.05502	0.7
56.05040	1.5
57.03428	0.3
58.06581	1.7
59.07384	0.3
60.08165	17.4
67.05507	2.1
69.07054	0.5
69.75622	0.8
70.06594	0.4
71.07375	8.0
75.91093	0.2
79.05505	1.6
81.07054	1.8
83.04970	0.2
83.08627	0.2
86.09707	51.7
87.10034	0.7
91.05485	1.1
93.07043	1.8
95.04990	0.2
95.08608	1.3
98.98466	4.9
99.21698	0.2
104.10745	80.7
105.07038	0.6
105.11057	1.1
107.08598	0.7
109.10155	0.4
119.08603	0.3
121.10143	0.4
125.00005	32.4
136.78566	0.2
137.09641	0.2
154.16133	0.2
163.01605	0.6
181.02620	0.2
184.07343	100.0
185.07707	1.5
258.11008	0.9
335.25684	0.9
411.59467	0.2
441.24030	0.2
500.31305	5.6
500.38330	0.4
501.31839	0.5
518.32446	13.4
519.33002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05032	1.0
56.92054	0.2
57.03434	0.7
57.05816	0.9
61.02922	0.5
67.05508	0.9
67.80157	0.3
69.03412	1.5
69.03934	2.1
69.04328	0.6
69.07066	0.7
70.06588	4.9
71.05009	0.5
71.07349	0.4
72.08154	100.0
73.08488	1.0
74.06067	0.3
79.05483	0.8
81.03425	0.8
81.07071	1.0
82.06575	0.3
84.04522	0.3
84.08149	1.7
85.02907	2.2
86.09706	3.4
87.04445	0.3
91.05446	0.4
93.07027	0.8
93.63521	0.3
95.04991	1.0
95.08625	1.1
96.08148	0.4
97.02895	1.1
97.06518	0.3
98.09730	0.4
99.04440	0.5
105.07043	0.5
107.08599	0.9
109.02863	0.6
109.10162	0.3
114.09155	0.3
119.08588	0.4
120.08109	0.8
121.10152	0.7
124.11247	1.9
127.03957	0.6
128.04317	0.4
128.10719	0.4
129.10223	0.6
130.06509	0.7
131.08505	0.3
132.08093	0.6
133.02841	0.4
133.10109	0.5
135.11717	0.4
137.05873	0.3
139.11296	0.4
144.08112	0.3
145.04974	0.3
145.10150	0.5
148.82993	0.3
159.09157	1.6
170.06032	0.3
179.03337	0.3
183.30502	0.5
187.14487	0.3
296.37979	0.3
338.26831	2.4
356.27924	7.9
357.28290	0.4
500.32001	1.4
518.33221	54.7
519.33667	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	518.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05516	0.4
55.54665	0.2
56.05036	1.0
57.03436	0.6
57.05817	0.5
61.02918	0.2
64.73080	0.2
67.05505	0.5
69.03436	0.6
69.07067	0.8
70.06596	2.7
70.92323	0.3
71.05001	0.4
71.07368	0.1
72.08156	100.0
73.02909	0.2
73.08489	1.0
79.05489	0.5
81.03445	0.3
81.07066	0.8
84.08158	0.7
85.02921	0.9
86.09713	0.7
87.04471	0.3
91.05485	0.3
93.07024	0.8
95.04967	0.2
95.08616	0.9
96.08156	0.3
97.02898	0.4
97.06542	0.3
100.07603	0.2
101.57545	0.2
105.07047	0.3
107.08601	0.5
109.10175	0.4
111.35693	0.2
117.02233	0.2
119.08604	0.2
121.10127	0.2
124.11223	1.9
127.03918	0.4
133.10167	0.2
135.11702	0.8
140.14238	0.2
145.10155	0.2
153.12767	0.3
217.14342	0.3
225.85585	0.2
275.20233	0.8
293.21136	0.4
338.26920	3.0
339.27466	0.3
356.27942	15.7
357.28394	0.9
429.68408	0.2
500.32483	0.3
518.33221	47.1
519.33630	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	518.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05835	15.0
55.05509	58.0
57.07068	31.2
62.74170	15.5
66.13084	16.6
67.05504	33.0
70.73824	32.1
71.08611	18.3
81.07067	24.8
83.08614	52.1
95.08608	20.1
97.10192	73.8
107.08607	34.0
109.10286	17.2
116.56866	15.1
125.09658	65.4
133.63055	18.6
140.01309	16.6
189.11211	41.4
227.12784	99.1
245.13898	100.0
313.27365	93.1
324.54761	17.5
327.02948	16.7
337.08578	17.6
483.36691	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
67.05496	1.2
69.03424	1.4
69.07059	1.3
69.09583	4.9
69.09990	1.9
70.06589	3.6
72.08161	11.9
73.08488	1.6
74.99524	0.8
79.05505	1.3
81.03401	0.9
81.07066	1.8
81.17225	0.8
83.06105	0.8
84.08144	1.9
85.02927	2.1
86.09711	2.9
91.05856	1.2
93.07047	1.9
95.08620	1.0
97.02901	1.3
99.04455	0.8
99.05695	0.8
103.03944	0.9
107.08603	0.8
120.08095	1.0
121.10162	1.3
127.03946	2.5
133.10167	0.9
135.11717	0.9
135.58374	0.8
137.05978	1.0
138.82509	0.7
145.04982	0.8
159.09164	1.6
177.05371	0.8
201.27373	0.7
207.57948	0.7
213.14731	3.0
225.32848	0.7
244.08742	0.7
244.75101	0.8
299.06424	1.9
357.28458	1.0
357.71011	0.9
375.19910	6.9
417.20959	2.3
457.24069	15.7
458.24542	0.8
459.15823	1.4
459.21915	10.2
519.24213	100.0
519.32739	8.1
520.24451	6.4
520.34949	1.6
546.66504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76709	1.1
52.53302	1.1
53.03947	7.8
55.01872	3.5
55.05503	13.0
56.05045	1.3
57.03425	5.7
57.07076	3.1
58.06584	1.6
59.05008	2.4
61.02921	4.4
67.05506	9.2
69.03427	31.6
69.07066	25.6
70.06599	10.8
71.04990	9.4
71.11781	1.5
72.08156	30.5
73.02917	4.8
73.04790	1.3
74.06051	1.8
79.05519	6.7
81.03417	26.6
81.07044	19.0
83.01366	1.3
83.04988	10.2
83.08611	5.8
84.04504	2.6
84.08141	6.0
85.02901	83.8
85.06544	9.3
86.03239	2.6
86.09696	9.2
91.05463	2.1
93.07037	10.7
95.04968	3.6
95.08607	23.6
97.02885	31.8
97.06556	3.3
97.10178	6.0
99.04455	45.7
99.08105	9.4
101.02353	1.4
103.03936	63.8
105.07030	3.8
107.08591	14.0
109.02886	27.9
109.10135	8.7
110.07169	2.4
110.09698	4.4
111.08081	3.0
111.09995	1.7
111.11728	5.4
113.09635	5.2
115.03980	2.2
119.08603	3.5
120.08114	4.2
121.06454	1.4
121.10133	14.7
123.04449	1.5
123.08056	1.8
123.11693	5.4
125.09628	4.3
125.13319	1.8
127.03910	100.0
128.04266	1.2
129.10213	2.7
131.08546	1.6
133.10118	2.0
135.08084	3.6
135.11671	9.0
137.05962	3.0
137.13257	8.1
139.11183	3.6
145.04950	51.9
145.10147	1.1
149.09671	1.2
149.13274	4.7
151.14842	2.1
153.12650	7.1
158.06087	1.2
159.04446	7.9
159.09177	1.8
159.11678	1.9
160.04778	3.8
161.05869	1.4
161.13385	1.3
163.06009	17.1
166.29495	1.4
169.04922	1.6
170.06015	4.4
171.06403	1.5
177.05473	2.2
177.16368	37.3
178.16794	2.0
179.06955	1.2
186.05682	1.6
187.04187	2.1
187.06029	13.1
188.04283	1.6
188.07092	2.1
189.07440	1.9
195.17439	34.3
198.05550	1.5
199.05872	2.3
205.07079	6.8
213.18484	33.0
216.06593	1.3
227.09059	2.8
244.09720	8.9
245.10043	8.9
258.11243	1.4
259.11545	1.4
259.20404	1.3
266.99823	1.3
271.08282	6.4
276.76004	1.3
277.21631	2.6
289.09314	2.1
299.06259	2.1
307.10141	3.3
339.22293	1.5
339.27264	2.0
340.28442	20.5
348.25388	2.1
356.27856	4.4
357.28229	12.0
358.29483	26.4
502.33432	3.9
519.23132	34.6
519.31195	5.1
520.23346	2.2
520.26428	2.0
520.34821	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47500	0.6
53.03946	1.6
55.01902	0.6
55.05518	8.8
57.03445	9.3
57.07079	0.7
58.32008	0.8
60.04528	1.1
65.03927	2.3
67.05511	35.5
68.05823	0.8
69.07074	9.4
70.99104	1.3
77.41338	0.7
79.05069	1.4
79.05505	20.1
81.07063	30.9
83.08645	3.8
85.06547	1.0
86.09748	0.9
88.04001	9.2
91.05478	9.3
93.07058	20.5
95.04972	1.9
95.08615	25.3
97.06514	0.9
97.10201	1.0
98.10006	0.7
98.98471	6.4
105.04533	0.7
105.07052	6.2
106.05045	0.9
107.08589	8.5
108.08899	0.7
109.10156	9.0
111.08139	0.8
117.07011	2.0
119.08604	2.8
121.10167	6.3
123.11711	2.3
131.08572	2.4
133.10127	2.7
135.11676	3.4
145.10118	2.0
147.11691	1.6
149.13226	1.1
155.01045	0.7
159.11755	1.4
161.13318	1.6
163.14897	1.1
173.02162	2.2
173.13124	0.8
184.07384	1.4
243.21075	0.7
261.22125	1.8
335.25827	100.0
336.26151	6.9
348.25354	2.4
459.19000	1.3
520.24512	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	520.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05021	0.8
58.06610	0.3
59.04995	0.3
62.62915	0.3
69.03444	0.5
69.04262	1.2
69.04690	1.3
69.07074	0.7
70.06596	4.2
72.08155	4.4
72.08540	0.3
73.02925	0.4
73.06543	1.9
74.06096	0.3
83.04956	0.3
84.04524	0.6
84.08145	3.1
85.02908	0.9
86.06076	0.8
86.09712	4.8
87.04468	8.6
87.04967	0.5
89.06033	100.0
90.06372	0.9
91.05437	0.3
91.07600	0.5
95.08648	0.3
96.08141	0.4
97.02913	0.4
98.09713	0.3
99.04446	0.3
107.07064	1.7
110.07188	0.4
110.09692	0.8
114.09185	0.4
116.07085	0.5
116.10751	0.8
117.09124	0.8
119.08543	0.3
120.08115	1.9
127.03957	0.5
127.08728	0.3
128.10712	0.8
129.10219	1.8
130.06590	0.4
130.08618	0.4
131.07039	2.4
132.08104	0.5
133.08604	63.4
134.08940	0.6
135.10152	0.6
136.07594	1.1
137.09612	0.3
142.08632	0.6
159.09175	0.7
175.09671	1.7
177.11226	21.4
178.11545	0.5
212.16447	1.5
214.14413	0.5
221.13872	3.9
228.13445	0.5
230.17471	0.9
235.10716	0.4
239.15077	0.6
244.15462	1.7
265.16397	1.2
283.17328	1.5
327.20111	0.8
340.28629	0.4
353.21732	0.4
358.22128	0.8
358.29419	0.6
371.22757	0.5
412.18860	0.3
415.25446	0.8
459.27872	1.3
503.30704	6.7
520.23315	2.5
520.31403	3.4
521.31171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05030	0.6
57.03457	0.2
58.06635	0.3
60.08165	7.6
67.05507	0.7
69.07076	0.3
70.55425	0.2
70.55762	0.2
71.07371	4.0
79.05486	0.2
80.97431	0.1
81.07050	0.6
86.09706	35.2
87.10024	0.5
93.07039	0.2
95.08614	0.3
98.98463	4.3
104.10746	2.9
125.00004	25.4
132.15506	0.1
143.01064	0.2
184.07341	100.0
185.07692	1.4
258.10962	0.3
337.27130	0.2
502.32938	0.8
520.33948	1.0
520.64612	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05033	1.3
57.03433	0.3
58.06570	1.8
59.07393	0.4
60.08167	15.6
61.08498	0.4
67.05507	3.4
69.04345	1.0
69.04758	1.4
69.07056	0.8
71.07380	6.5
79.05489	1.0
81.07066	3.2
83.08611	0.5
86.09708	51.8
87.10067	0.8
91.05489	0.6
92.97022	0.3
93.07046	0.7
95.08610	1.9
97.10175	0.4
98.98461	4.9
104.10748	100.0
105.07064	0.3
105.11092	1.3
107.08613	0.4
109.10151	0.6
125.00010	29.2
150.68352	0.3
163.01530	0.4
166.35309	0.2
181.02539	0.4
182.39120	0.3
184.07349	100.0
185.07751	1.3
205.46286	0.2
236.39484	0.3
258.11035	1.3
291.76178	0.3
307.00681	0.3
334.56601	0.3
337.27505	1.0
444.98877	0.3
469.66064	0.3
502.32928	7.2
503.33493	0.4
520.34021	21.3
521.34198	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	520.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.3
55.05466	2.6
57.03385	2.4
57.03636	0.7
58.06552	2.7
61.02882	2.0
62.61384	0.8
67.05507	6.6
69.03432	5.5
69.07066	10.0
70.06540	3.2
71.04944	2.1
71.07297	0.8
72.08157	51.3
72.08533	2.4
73.08450	0.8
77.42723	0.7
79.05497	6.9
81.03354	2.5
81.07054	16.7
83.04951	0.8
83.08624	3.9
84.08157	4.3
84.08535	0.9
85.02906	8.0
85.08881	1.8
85.43507	0.8
86.09705	5.1
87.04419	1.2
90.18954	0.7
91.05460	1.0
93.07047	7.6
95.04903	2.0
95.08611	10.8
97.02885	4.5
97.06480	3.0
97.20481	0.7
98.09633	1.6
99.04420	1.4
105.06993	1.6
107.08595	5.8
109.02830	1.3
109.10110	2.7
111.08041	1.1
111.11666	1.2
117.07058	0.8
119.08533	1.7
120.08054	1.4
121.10117	4.8
123.08067	1.2
124.11197	1.3
127.03846	2.6
131.08549	0.8
133.10100	1.8
135.11693	8.1
145.10085	0.9
147.11681	1.0
149.13179	1.9
153.12674	1.8
173.13214	0.8
202.40469	0.9
217.14340	1.3
243.13370	1.4
259.20609	3.4
277.21606	10.6
322.27478	2.1
340.28448	70.3
341.28909	4.8
358.29495	100.0
359.29892	7.9
502.33691	8.7
520.34808	84.5
521.35095	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	520.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.1
62.76505	0.8
67.05501	1.1
69.03423	0.9
70.03106	0.8
70.03455	2.2
70.06587	4.4
72.08158	100.0
73.08468	1.0
81.07066	1.7
84.08166	1.5
85.02904	2.0
86.09700	1.7
95.08603	1.4
97.02882	0.8
120.08200	1.2
124.11273	2.1
127.03941	0.9
137.06012	0.8
263.33133	0.9
300.21213	0.8
311.57941	0.9
340.28439	1.7
358.29401	4.2
373.17957	2.2
397.13065	0.7
433.32120	0.8
502.33743	0.9
520.34863	58.6
521.35315	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	521.2021
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03934	1.1
56.23891	0.6
62.45139	0.6
62.90688	0.6
69.03415	0.6
69.05916	4.6
70.06590	3.8
73.98415	0.6
75.70548	0.6
84.00591	0.7
84.04497	1.5
84.08146	2.9
86.09712	2.3
91.05467	0.9
95.04960	1.8
103.05472	60.5
104.05817	1.3
105.07023	7.0
109.06336	0.6
115.05463	1.3
116.34782	0.7
120.08117	6.0
129.10237	3.3
130.04944	0.8
131.04930	100.0
132.05269	2.9
133.06456	4.3
137.05968	3.9
147.04321	1.1
147.07652	1.2
153.06973	0.6
157.04420	0.7
161.05978	11.2
163.07541	25.2
164.07890	1.6
175.07523	1.1
187.07568	1.2
294.14441	0.8
521.27264	1.4
521.81689	1.2
522.32227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.6
56.04788	0.7
56.05036	5.7
58.06583	1.3
58.50780	0.6
61.01155	0.6
67.30137	0.6
68.04998	0.6
69.07055	0.7
70.06592	59.7
71.06917	0.8
72.08154	6.0
74.06077	0.8
76.58697	0.5
81.07052	0.6
82.06556	0.7
83.06171	0.7
84.04503	55.3
84.08144	9.8
85.02918	2.5
85.04842	0.7
86.09212	1.2
86.09702	14.7
91.05460	3.8
93.07025	0.7
98.06022	0.6
101.07117	0.8
102.05541	49.4
103.05454	2.0
104.05324	1.3
110.07156	2.0
114.09203	1.0
116.07092	60.2
117.07378	0.7
118.12494	0.6
119.04939	1.0
119.07348	0.8
120.08105	100.0
121.08450	3.2
125.49450	0.6
129.10236	6.0
130.04991	2.7
130.08659	1.1
136.07590	5.7
136.51712	0.5
137.05997	0.7
143.08583	0.5
144.08066	0.7
145.04884	0.8
148.06041	3.3
156.07764	0.6
158.09695	0.7
163.03951	1.2
174.47459	0.6
180.10211	0.8
181.04932	0.8
181.09624	3.3
183.14925	2.3
184.07642	0.7
186.09146	18.6
187.09431	0.7
200.84949	0.6
203.11841	1.0
204.10213	6.6
209.09222	2.3
211.14297	1.2
226.25511	0.6
227.10262	37.4
228.10609	1.8
231.11284	34.9
232.11568	1.8
233.12859	1.8
245.11264	4.6
249.12346	30.2
250.12631	0.8
259.10806	19.6
259.13351	1.1
260.11160	0.9
261.12411	2.5
277.11832	16.3
277.14832	1.0
278.12125	1.3
279.09982	0.6
305.65381	0.7
311.79565	0.6
313.67920	0.6
358.19742	2.2
359.25998	0.8
360.15500	2.0
360.27188	1.3
367.28671	0.7
388.15027	4.4
406.16162	5.2
485.29990	0.8
521.26251	2.4
522.32477	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	522.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.02547	1.7
57.03422	3.8
60.96915	1.6
61.02913	7.8
63.08456	1.9
69.03431	16.4
70.06584	17.3
70.79276	4.5
72.08141	8.1
81.03401	5.8
84.08138	13.0
85.02901	100.0
86.09708	6.9
89.03914	3.3
91.03949	8.0
97.02881	21.9
99.04463	4.7
109.02878	7.7
110.07156	8.2
117.03391	5.6
120.08080	7.5
127.03911	20.6
129.10239	10.9
133.29315	1.7
135.04417	12.3
145.02899	8.8
145.04950	54.3
162.07593	3.1
163.03905	99.8
163.05954	25.4
181.04951	48.4
181.06487	3.9
182.05229	2.2
297.07629	5.2
522.30499	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	522.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01870	3.1
55.05504	1.4
57.03439	3.6
60.04522	1.6
60.63023	1.5
61.02927	8.0
64.97687	1.5
69.03434	18.8
69.39000	6.9
70.06591	2.6
71.04996	2.8
72.08157	1.8
73.02917	4.1
74.87625	1.5
81.03416	7.4
81.90747	1.4
84.08131	2.6
85.02904	100.0
87.04463	3.1
89.03911	3.7
90.59877	1.2
91.03954	5.8
97.02886	29.3
98.22625	2.5
99.04447	3.5
103.03941	1.7
104.83725	1.5
107.04959	2.8
109.02847	7.8
110.07153	2.2
117.03368	5.6
120.08099	2.4
127.03912	20.2
135.04414	14.6
140.99690	1.7
145.02921	11.1
145.04951	41.8
157.73473	1.4
163.03909	98.2
163.05937	17.8
163.28481	1.5
181.04959	63.6
241.40199	1.5
396.76300	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	522.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39554	0.5
57.03440	0.6
59.20745	0.5
69.03431	3.3
69.61349	2.7
69.75271	0.5
70.06596	3.0
72.08155	2.7
79.05492	0.7
81.03420	0.8
84.04489	0.7
84.08149	3.9
84.32243	0.5
85.02908	8.4
86.09685	0.7
89.03926	3.7
91.05501	0.7
95.04942	0.7
97.02921	2.7
98.22684	1.1
99.04463	0.6
107.04962	1.6
117.03389	6.4
120.08099	2.1
123.30726	0.6
127.03932	3.4
129.10255	1.9
135.04424	13.1
136.07492	1.1
145.02856	11.7
145.04924	4.2
156.85892	0.6
163.03906	100.0
164.04230	2.6
181.04959	45.9
182.05301	0.7
185.63383	0.6
204.87115	0.6
261.26578	0.6
264.86752	0.8
298.98026	0.7
330.47043	0.6
414.33881	0.6
484.05670	0.6
519.18481	0.6
522.29218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96523	3.8
51.53735	4.7
55.01879	5.2
58.55967	3.9
61.02922	8.6
62.46077	3.7
67.67362	3.8
69.03436	17.9
70.06598	26.6
70.61858	3.9
70.62194	7.0
72.08157	6.0
84.08170	7.0
85.02911	100.0
86.09700	5.1
93.07030	5.6
97.02892	28.6
99.04427	6.8
103.05484	8.3
109.02890	7.6
120.08131	7.3
121.06505	13.6
122.38713	4.2
125.02324	4.9
127.03919	26.7
140.04697	32.3
145.04970	41.3
149.05951	20.5
153.05457	9.7
163.06013	20.3
181.08607	85.1
200.40187	4.2
219.10272	9.2
229.15570	5.7
326.20792	10.9
384.95270	4.5
405.95331	5.3
513.40637	4.3
522.31738	7.8
523.29120	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85960	0.9
69.62211	4.2
70.06588	2.0
84.08118	1.4
85.02921	2.9
89.48889	0.9
97.02898	1.4
98.23247	1.4
102.17324	0.8
103.04786	1.9
103.05472	37.7
131.04930	100.0
132.05241	2.3
145.04944	1.4
163.03929	1.4
163.07545	45.0
200.03506	0.9
238.02919	1.0
263.68408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52341	0.6
55.01850	1.1
55.05278	1.1
55.05516	14.3
55.27343	0.7
57.03441	8.7
57.07065	2.0
60.04515	1.0
60.08151	2.9
60.21559	0.6
65.03925	1.5
67.05507	30.7
68.05828	0.9
69.02810	0.6
69.06732	1.3
69.07071	16.3
70.02927	0.8
70.57087	1.6
70.57439	1.0
71.07379	1.4
76.19316	0.6
78.69035	0.6
79.05496	9.3
81.07059	31.7
82.07369	0.9
83.04991	0.9
83.08617	7.7
85.06527	0.9
86.09705	9.1
87.10059	3.2
88.03986	7.7
91.05480	5.5
93.07044	8.2
95.08608	21.9
97.06516	1.7
97.10168	3.9
98.98462	7.9
99.08117	0.7
104.10744	13.7
105.07053	3.5
105.11102	3.7
106.05026	1.6
107.08587	3.1
109.10162	8.0
119.08571	2.7
121.10120	3.8
123.11695	2.8
124.92836	0.7
124.93747	1.6
125.00014	5.6
126.00377	1.2
127.00416	1.0
133.10120	3.0
135.11682	1.3
137.09671	0.7
137.13257	1.4
147.11658	1.5
149.13245	0.9
151.11188	0.9
161.13263	1.0
166.41406	0.6
173.02095	1.8
175.14862	1.0
184.07344	17.6
185.07706	6.1
186.07808	4.4
245.22699	1.1
249.53738	0.8
263.23666	2.6
337.27350	100.0
338.27728	6.9
350.26938	1.9
461.20203	4.1
504.33368	1.1
516.48303	0.8
522.25452	3.4
522.34576	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	522.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05514	15.3
57.03446	7.0
57.07071	4.2
57.15719	1.2
60.04532	27.7
65.03947	2.8
67.05511	47.9
69.07073	19.2
69.59898	4.6
69.60310	2.3
70.02975	6.5
79.05502	12.0
81.07068	46.3
83.04969	1.1
83.08628	8.9
85.06528	2.0
88.04000	99.4
91.05476	11.7
93.07060	14.0
95.08614	34.5
97.06529	2.7
97.10180	5.0
98.98473	61.4
99.08138	1.9
105.07043	6.9
106.05038	49.3
107.08594	7.3
109.10167	13.1
111.08147	1.4
114.19708	1.2
119.08580	4.0
121.10152	7.8
123.11753	7.4
125.09639	2.4
133.10155	5.7
135.11745	3.8
137.13272	3.4
147.11684	2.4
149.13338	2.0
151.14809	3.3
152.20232	1.2
155.01057	26.1
158.75404	1.3
161.13272	1.4
163.14803	2.4
173.02138	9.5
175.14915	2.3
177.16478	1.7
188.42549	1.2
207.17351	1.6
224.14571	1.3
242.04376	3.4
245.22726	6.7
260.05307	1.7
263.23743	21.9
304.26376	1.6
315.13895	1.3
337.27380	100.0
338.27744	7.4
350.26920	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	25.8
57.07082	6.4
57.38799	4.3
59.05008	5.4
67.05515	6.7
69.03434	92.2
69.07062	10.8
70.06607	12.2
70.47936	4.9
72.08170	13.5
75.04469	5.5
79.05494	6.9
79.63387	5.3
81.07066	22.3
83.08601	5.6
84.08147	6.4
85.02912	64.8
85.03387	8.3
85.06538	5.9
87.04473	66.0
91.05470	9.8
93.07053	11.6
95.08617	26.5
97.02894	55.8
98.23370	12.1
105.07040	15.5
107.08609	20.1
109.10163	10.8
114.83384	4.6
115.03930	92.6
119.08579	36.5
120.08125	11.2
121.10122	6.1
129.10278	5.6
133.04973	100.0
133.10139	24.8
135.11723	11.5
137.09645	6.1
137.13290	8.6
145.04962	6.1
147.11665	8.6
150.07640	7.1
163.14856	32.0
175.14838	74.3
193.15887	76.3
208.99026	5.8
211.16914	38.8
259.62219	4.7
271.27048	5.6
303.76581	5.5
337.11990	8.2
369.14557	6.6
522.30621	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51970	0.2
55.05493	0.3
55.33197	0.2
56.05033	0.7
58.06375	0.2
58.06614	0.4
59.07382	0.2
59.45055	0.2
60.08161	7.3
67.05522	0.3
69.07061	0.4
69.20166	1.1
69.20592	0.6
71.07370	3.7
83.08598	0.2
86.09702	35.4
87.10040	0.8
91.12189	0.2
95.08637	0.3
96.29820	0.2
98.98454	3.8
104.10738	3.6
124.99998	24.5
126.00360	0.2
143.00998	0.4
184.07332	100.0
185.07729	1.2
241.47324	0.2
504.34393	0.8
522.35712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10247	0.6
54.77132	0.5
55.05507	1.9
56.05024	1.5
58.06579	1.0
60.08164	18.7
62.72474	0.5
67.05495	1.2
69.07054	2.0
69.25409	3.4
71.07374	7.8
79.05479	0.7
81.07072	1.2
83.08622	1.5
86.09705	56.2
93.07056	1.0
95.08612	0.8
97.10190	0.8
98.98470	5.1
104.10743	97.7
105.11089	1.2
121.10138	0.8
125.00005	31.6
129.66226	0.5
184.07343	100.0
185.07684	1.6
258.11038	1.7
284.08298	0.5
339.29138	1.2
340.12823	0.6
504.34412	7.8
522.35480	19.7
523.35333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05504	2.0
56.05072	0.5
57.03439	3.5
58.06600	2.6
61.02931	2.6
64.34820	0.5
65.03954	0.5
67.05499	6.0
69.03429	8.4
69.07068	3.0
69.25106	0.9
69.25522	2.0
70.06583	3.0
71.04988	2.4
72.08156	19.2
73.02918	2.7
79.05485	3.8
81.03423	3.0
81.07057	16.9
83.08607	1.2
84.08145	3.0
85.02901	13.8
85.06541	1.7
85.08925	1.2
86.09702	2.8
87.04472	1.4
91.03927	0.6
91.05469	1.7
92.04867	0.5
93.07053	1.9
95.08603	10.2
95.09167	0.9
97.02882	4.6
98.09708	1.0
99.04427	0.8
101.02376	0.7
103.03957	0.6
105.07034	1.4
107.08583	1.5
109.02887	1.7
109.10168	1.4
115.03908	0.5
119.08577	1.5
120.08122	1.7
121.10148	1.5
123.11694	1.2
124.11221	1.4
127.03911	2.6
128.10681	0.6
135.11710	0.9
145.04945	0.5
145.10172	0.6
147.11664	2.3
165.12798	1.2
183.13847	0.8
201.14909	0.6
324.28900	4.9
342.30005	29.7
343.30444	1.7
360.31049	29.7
361.31512	1.6
489.74536	0.5
504.35315	19.4
505.35724	1.0
522.36346	100.0
523.36700	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	522.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01875	0.8
55.05510	2.7
57.03435	2.6
57.05810	0.6
57.07074	0.4
58.06606	2.0
61.02922	1.1
67.05502	3.2
69.03424	4.2
69.07063	3.1
70.06590	5.0
70.06960	0.4
71.01341	0.3
71.04993	3.5
71.07373	0.5
71.08610	0.2
71.30424	0.3
72.08152	100.0
73.02905	1.1
73.08485	0.9
79.05485	2.8
81.03411	1.8
81.07053	5.2
82.06568	0.4
83.04985	0.6
83.08615	2.0
84.04485	0.4
84.08147	2.5
85.02896	7.2
85.06547	0.5
85.08903	0.2
86.09701	5.2
87.04456	0.9
89.99765	0.2
91.05474	1.6
92.05791	0.3
93.07043	3.3
95.04971	0.5
95.08602	3.8
96.08127	0.4
97.02893	2.8
97.06524	1.6
97.10194	0.4
98.09698	0.3
99.04448	1.1
99.08060	0.3
100.07635	0.2
101.02387	0.3
102.09190	0.6
103.03949	0.5
105.07042	0.8
107.08584	1.8
108.08135	0.4
109.02837	1.0
109.06544	0.3
109.08916	0.3
109.10166	1.1
110.09699	0.4
111.08096	0.6
115.03928	0.2
119.04951	0.4
119.08580	1.0
120.08115	1.7
121.10133	1.2
123.08035	0.2
123.11733	0.3
124.11228	3.2
127.03917	1.8
129.10281	0.6
130.06496	0.3
133.10158	0.7
135.04387	0.5
135.11719	0.5
136.07599	0.7
137.09543	0.2
143.11806	0.3
145.02815	0.2
145.04950	0.4
146.06261	0.5
146.32730	0.2
147.04430	0.9
147.11717	0.5
147.55684	0.3
149.09644	0.2
149.13229	1.4
159.11575	0.2
161.13304	0.2
163.03891	3.4
182.46512	0.3
195.17561	0.2
195.56657	0.2
204.86101	0.2
240.13528	0.3
251.10344	0.6
279.09793	0.3
279.23230	0.5
306.27875	1.1
324.28943	4.9
324.32538	0.4
342.26413	0.6
342.30008	11.3
343.30273	0.5
360.31046	21.2
361.31461	1.2
385.07385	0.2
389.93491	0.2
402.32050	0.2
442.34930	0.3
486.34320	0.4
504.35318	13.9
505.35382	1.4
522.36346	70.3
523.36670	5.3
534.33026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1789
Annotation	Bipinnatin M
Peak:m/z	Relative Intensity
50.01876	0.4
67.05504	0.6
69.03421	0.8
69.07075	0.7
69.45508	2.7
70.06592	3.3
72.08140	2.1
79.05495	0.5
81.07046	1.3
84.08146	2.4
85.02899	1.0
86.09724	2.7
91.05492	0.9
93.07043	1.0
95.04962	0.6
95.08599	0.9
98.96720	0.4
102.69832	0.4
105.07049	0.9
107.08589	0.6
110.07136	0.5
116.07079	0.7
120.08118	2.6
121.06479	0.5
121.10131	0.6
129.10242	0.8
131.91621	0.4
133.10121	0.9
135.11662	0.7
141.05119	0.5
143.08606	0.6
162.05347	0.7
169.04729	0.7
175.14815	0.7
185.04204	2.7
196.16130	0.4
201.05237	1.2
216.07593	7.6
217.08301	1.8
227.05257	1.2
245.24214	0.5
267.08374	1.0
269.06335	1.2
318.77084	0.5
329.08377	5.8
379.13724	3.0
461.17685	4.8
463.15637	3.3
479.24347	2.4
523.17798	100.0
523.28729	3.5
524.18146	6.7
524.31488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2327
Annotation	Tiegusanin C
Peak:m/z	Relative Intensity
51.02388	2.0
51.08968	1.6
53.03941	5.3
55.05520	3.3
67.05493	4.1
69.11081	17.5
71.96449	2.0
75.32378	2.2
77.03922	2.3
81.07077	2.5
83.08590	2.1
86.09712	2.0
91.05465	4.4
95.04947	8.0
105.03391	100.0
105.04511	4.7
105.07043	3.2
106.03694	2.2
126.21028	1.8
135.08037	5.6
191.14297	3.2
198.30412	1.8
264.11523	2.1
271.06125	2.1
311.12387	2.3
323.12848	3.1
337.14267	3.2
347.25778	4.7
369.16949	6.7
370.17892	4.5
401.19485	6.6
505.22104	14.9
523.29285	2.5
523.41071	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	2.4
55.05510	8.4
57.07075	4.0
64.40075	2.7
67.05512	6.6
69.03432	6.8
69.07079	4.9
70.06590	24.6
72.08158	20.4
79.05491	4.7
81.03428	3.2
81.07060	6.8
83.04980	6.2
84.08171	6.8
85.02908	27.5
85.06575	4.4
86.09707	37.7
88.02192	2.8
91.05490	4.4
93.07052	7.0
95.08620	7.1
97.02917	7.1
97.06543	4.8
99.04482	2.4
105.07054	8.3
107.08609	10.7
109.02934	3.9
109.10170	4.9
111.04444	45.4
119.06252	2.6
119.08643	2.8
120.08093	33.6
120.08777	3.1
125.05964	15.9
127.03957	9.7
127.07497	2.8
129.10233	3.2
133.10115	2.9
135.08118	7.1
135.11728	8.8
145.04991	10.9
145.10164	11.2
147.04767	3.4
153.12758	3.3
163.05983	4.5
163.11263	11.6
164.07462	10.6
181.12221	86.6
182.12616	3.5
199.13264	50.1
199.14873	3.5
201.10574	3.6
203.05399	7.8
217.13802	3.1
233.16595	5.4
261.16055	12.0
263.14316	9.2
279.17059	3.1
299.36871	2.5
343.22415	6.1
379.83459	3.0
394.26752	18.6
470.70685	2.5
505.30331	2.5
506.28702	3.1
523.30841	100.0
524.31616	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	523.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27829	0.3
52.54379	0.4
54.59764	0.4
58.65611	0.3
59.46908	0.3
67.05524	0.4
70.06570	0.3
70.23727	0.4
70.34466	0.5
70.34810	0.8
87.22510	0.4
91.05479	0.4
95.08601	0.5
137.40210	0.3
141.56044	0.4
169.31213	0.4
170.60571	0.4
182.22171	0.3
240.28789	0.4
347.08856	0.4
400.96213	0.4
523.28784	100.0
524.29053	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	523.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	6.0
66.01436	2.8
69.25748	19.9
76.71999	2.7
81.07068	5.5
95.08604	3.5
129.05276	2.7
194.73141	2.8
204.20033	2.9
211.09366	4.9
232.47392	3.5
523.36023	100.0
524.36273	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78307	1.5
53.03943	2.3
55.01881	1.6
55.05324	1.5
55.05519	15.8
57.03427	1.5
57.07078	45.5
61.92459	1.4
64.52332	1.3
65.42932	1.4
67.05511	40.5
67.31230	1.5
69.01049	5.1
69.01470	8.2
69.07069	21.3
71.04981	4.7
71.08635	30.5
73.31460	1.3
79.05492	14.9
81.07058	100.0
83.04984	5.5
83.08619	21.0
85.06542	6.0
85.10172	16.3
91.05477	18.2
93.07042	10.7
95.04958	2.2
95.08606	44.3
97.06529	4.1
97.10164	5.5
98.22582	3.1
99.08096	2.3
101.06020	2.8
105.04587	1.7
105.07035	29.4
107.08595	10.4
109.06518	3.4
109.10156	12.5
111.11755	1.8
116.73690	1.4
119.08593	25.9
121.10154	20.4
123.08049	3.3
123.11718	35.8
123.12570	3.0
126.34246	1.4
127.07616	3.0
131.21185	1.5
133.10136	1.7
137.13274	4.9
141.09155	2.1
147.11694	76.5
148.12036	2.2
165.12761	37.0
175.11256	2.2
175.89134	2.0
183.13837	6.8
193.12282	2.1
229.14326	8.8
239.23715	4.0
267.15915	61.3
267.18823	3.0
268.16272	2.5
285.17029	5.3
523.32019	3.3
523.39966	68.3
524.40576	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	524.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
57.03439	1.6
61.02915	3.1
69.03431	5.6
69.59665	2.2
69.60077	2.8
70.06600	5.7
72.08157	6.9
81.03403	2.8
84.08141	3.8
85.02428	1.6
85.02905	20.3
86.09715	6.0
89.03937	4.7
91.03976	1.2
91.05477	8.0
95.04941	1.0
97.02896	5.4
101.07119	1.1
107.04962	4.6
109.02878	2.6
110.07127	2.4
117.03357	6.1
119.04944	26.7
120.08086	4.0
121.06463	1.0
123.04440	3.5
127.03922	2.8
129.10210	3.2
133.05986	0.9
133.71132	0.9
135.04407	17.7
136.07584	3.8
137.78893	1.1
145.02846	8.8
145.04942	4.1
147.04408	100.0
148.04706	2.8
161.05922	1.4
163.03906	99.3
164.04240	3.3
165.05486	41.5
165.06918	1.8
180.08638	4.0
181.03337	1.7
181.04953	33.7
182.05264	1.2
183.08112	4.8
188.92247	1.0
201.12309	1.0
207.08086	2.9
211.07552	2.7
219.14948	0.9
229.08600	21.3
230.09065	1.6
235.07538	2.6
253.08469	1.6
263.07019	6.1
281.08090	6.5
291.06265	1.5
309.07510	8.2
327.08694	2.4
373.94437	1.0
500.06674	1.0
524.30640	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	524.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.13641	1.1
56.05031	1.7
57.03427	1.9
61.02930	2.3
63.28535	1.2
69.03424	5.7
69.75884	1.7
69.76227	4.7
70.06599	20.6
72.08163	6.6
79.05493	1.8
79.60757	1.3
81.03428	3.5
84.04501	2.5
84.08150	7.1
85.02901	19.6
86.09704	11.5
88.03991	1.7
89.03922	2.7
90.37884	1.5
91.03969	1.5
91.05480	11.4
91.89141	1.2
97.02914	7.5
98.22684	2.3
99.00819	3.0
101.07129	2.2
107.04967	9.0
109.02899	3.3
110.07162	5.5
114.92841	1.2
115.08668	1.7
117.03385	4.2
119.04939	28.1
120.08102	33.2
121.06532	1.6
121.08452	2.1
123.04436	4.1
126.05463	1.3
127.03938	3.6
129.10254	5.6
135.04410	17.8
136.07614	10.4
140.08180	1.6
145.02876	9.4
145.04987	5.5
147.04408	94.5
148.04758	2.2
163.03905	100.0
164.04250	3.1
165.05515	21.1
165.07014	3.5
177.05495	1.5
180.08704	2.5
181.04973	15.5
183.08018	5.0
195.33929	1.6
201.12225	1.3
207.08055	1.6
211.07538	3.5
229.08601	39.3
235.07518	5.0
247.12709	1.9
253.08643	3.3
263.07034	13.5
276.13388	2.8
281.08032	11.7
291.06482	2.3
309.07471	18.6
322.18915	1.3
327.08685	5.2
362.23370	2.0
467.75681	1.3
519.21838	1.5
524.24689	1.1
524.34375	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	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93597	0.6
53.03954	0.8
55.01873	0.7
60.26637	0.8
62.64714	0.6
69.03420	1.3
70.43311	0.7
70.43656	1.6
79.05492	1.3
81.07080	0.8
85.02904	5.0
91.05483	4.0
94.04183	2.5
97.02886	1.4
99.09553	0.7
103.05477	2.8
105.07024	2.8
115.05435	1.8
117.07041	0.9
119.04961	4.1
121.06484	0.8
122.03641	5.0
129.07024	1.0
131.04912	6.6
133.06476	2.9
137.05978	100.0
138.06296	2.3
142.55313	0.6
145.04919	0.8
145.06458	4.3
146.46281	0.7
147.04404	16.6
149.05991	2.7
157.06415	0.9
161.05984	17.1
162.06766	1.2
163.07539	3.9
173.05983	8.0
177.05482	0.7
179.07036	1.7
185.05978	1.7
190.07864	0.9
191.07007	2.1
191.08606	2.4
193.08638	1.2
202.07722	1.1
203.06953	1.0
203.08611	1.1
214.64905	0.6
219.07993	5.1
231.08095	2.7
237.09152	2.4
247.07578	2.5
248.08438	0.7
249.09077	1.8
251.10661	3.9
252.13937	0.7
259.07581	1.4
265.08600	2.2
266.09171	0.8
277.08560	3.8
279.10190	2.1
282.08813	1.0
291.10080	1.1
295.09732	0.7
297.11203	15.2
298.11646	0.8
309.11151	5.0
315.12335	2.7
319.37189	0.7
327.12213	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	524.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92321	0.4
52.54673	0.4
53.03952	0.5
55.01863	3.7
55.05511	2.4
57.03432	1.9
57.07065	0.7
57.60548	0.4
58.06599	0.8
62.06084	1.0
63.72808	0.4
67.05514	4.3
69.03410	0.7
69.07069	4.1
69.64287	0.9
69.64694	1.6
70.06599	0.5
71.04993	0.6
71.08606	0.9
72.08151	1.0
79.05074	0.4
79.05499	4.9
81.07059	23.1
81.18859	0.4
82.07380	0.6
83.04984	2.9
83.08627	2.0
84.08157	0.5
91.05473	2.7
93.07044	5.2
95.04996	0.6
95.08614	5.6
97.06517	0.9
98.98464	0.5
101.83150	0.4
105.07024	3.5
107.08609	4.7
109.06520	10.4
109.10120	2.5
111.04441	15.8
111.08073	1.0
117.07013	0.8
119.08575	3.8
121.10152	4.9
123.08074	1.6
123.11707	1.8
125.06009	6.3
129.07043	0.5
131.08546	2.6
133.10126	4.0
134.15298	0.4
135.08052	2.9
135.11708	4.7
137.05977	100.0
137.09605	1.2
137.13231	1.7
138.06323	2.9
139.07509	1.0
143.08566	1.6
145.10132	1.9
147.08005	2.3
147.11688	6.0
149.09628	4.1
149.13245	1.6
151.07564	2.9
151.11232	0.7
157.10110	1.5
159.11699	0.6
161.09615	7.0
161.13268	2.5
163.11180	3.4
163.14737	0.9
165.09143	2.5
165.12746	0.6
167.10704	0.7
171.11725	1.6
175.11186	6.2
175.14828	1.4
177.09094	0.6
177.12798	0.8
179.10670	2.1
181.12224	0.5
185.13330	0.7
189.12723	1.0
193.12221	1.4
198.05225	0.8
203.14284	0.6
203.17920	6.2
213.12930	0.5
213.16409	3.0
216.06433	0.7
221.19022	1.8
223.14880	1.0
231.17438	10.0
241.15892	1.1
248.06650	0.4
248.64383	0.5
249.18523	6.9
259.17001	0.4
277.17990	55.2
278.18335	2.4
295.19034	11.8
296.19339	0.6
320.22232	3.4
351.21658	51.7
352.21902	2.8
383.24280	41.6
384.24521	2.3
431.18103	1.8
474.22263	1.2
492.23593	1.5
524.25507	0.7
524.31860	1.5
525.30023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
57.03443	2.1
58.06600	16.8
61.02925	2.9
67.05502	6.2
69.03429	8.6
70.06592	4.7
70.47262	3.1
72.08150	2.9
73.02934	2.3
79.05523	1.3
81.03447	1.8
81.07058	3.4
83.08602	1.8
84.08153	3.1
84.60343	1.3
85.02908	13.3
86.09672	1.9
87.04486	2.9
93.07057	2.3
94.48164	1.5
95.08622	3.4
96.08150	2.5
97.02908	4.5
98.09706	5.3
100.11251	3.6
107.04962	1.8
109.10144	1.6
110.09669	2.5
111.04464	1.8
120.08207	1.9
123.04424	19.6
127.03943	2.3
128.07143	2.2
149.05988	3.0
163.07611	4.4
171.48729	1.6
182.15491	1.7
187.79254	1.3
192.53401	1.5
210.14853	3.3
215.43613	1.6
221.69981	1.8
227.17853	1.8
344.25848	9.1
362.26962	16.8
506.31049	4.6
524.32184	100.0
525.24915	2.5
525.32275	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	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.51647	0.2
55.05509	0.5
56.05033	1.5
57.03430	0.4
57.07069	2.9
58.06578	1.2
59.07354	0.3
60.08164	17.6
67.05506	0.5
69.07041	0.3
69.42162	0.5
69.42568	1.0
70.06591	0.3
71.07373	6.5
71.08636	1.9
72.80364	0.2
81.07062	0.6
83.08620	0.4
85.10182	0.9
86.09706	49.2
87.10045	0.5
95.08604	0.9
97.10151	0.5
98.23316	0.5
98.98468	3.8
98.99052	0.5
104.10743	99.9
105.11100	1.3
108.59605	0.3
125.00005	28.7
143.01064	0.3
161.86253	0.2
163.01524	0.8
184.07341	100.0
185.07626	1.0
258.11111	1.3
341.30429	1.6
436.85858	0.3
447.28659	0.5
506.28778	0.5
506.36090	9.3
507.36212	0.4
524.37097	27.1
525.37488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.05512	10.5
57.03436	13.3
57.07062	1.8
59.04998	3.9
60.76823	0.9
65.03936	1.7
67.05506	100.0
68.05824	1.8
69.06714	8.9
69.07069	9.2
71.04980	4.4
77.55653	0.8
79.05499	21.0
79.05957	1.3
79.62817	0.9
80.06244	0.9
81.07059	36.9
82.07357	1.0
83.04988	1.0
83.08630	6.5
83.87849	0.9
85.06561	1.9
91.05477	15.0
91.61404	0.9
93.07043	23.5
95.04983	1.0
95.08076	0.8
95.08607	24.5
105.07034	6.8
107.08588	12.9
109.10155	75.7
111.08091	3.0
117.07040	3.1
118.99269	1.0
119.08572	8.9
121.10129	11.0
123.11716	2.6
131.08585	6.0
133.10121	4.3
135.11725	4.7
137.09621	4.0
137.13255	1.9
145.10117	3.5
147.11682	2.5
149.13277	4.5
155.10672	7.3
159.11720	2.4
161.13289	2.5
173.11742	17.9
173.13173	1.6
173.26585	0.9
177.16339	1.2
178.63190	0.9
184.97701	1.0
187.14896	1.8
227.12810	1.1
229.14346	79.8
230.14804	2.4
243.21097	3.5
261.22168	11.0
317.24823	3.1
335.25803	62.1
336.26080	3.7
471.96030	1.2
489.35730	29.4
519.97284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94818	0.7
62.61106	0.9
70.06591	1.1
71.28325	1.2
90.03302	0.9
93.07074	0.9
103.05467	7.3
107.04954	1.9
110.07191	1.1
120.08109	100.0
121.08461	2.4
131.04922	2.9
136.06213	1.5
136.07576	1.1
149.05925	1.1
166.08646	44.5
167.08954	1.2
218.60657	0.9
269.83398	0.8
344.01730	0.9
361.01422	0.9
396.05011	1.0
413.61359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05500	1.4
57.07078	3.7
60.82351	0.6
67.05512	2.8
69.07050	1.9
71.04955	0.6
71.08640	3.1
71.30076	0.7
79.05503	2.0
81.07061	4.7
83.08624	1.0
85.06552	2.3
86.09690	1.5
87.10037	1.0
91.05470	1.0
93.07026	2.5
93.08908	0.4
93.43486	0.4
95.08611	4.8
97.06523	0.9
99.08088	1.8
104.10790	0.5
105.07012	1.6
107.08590	2.5
109.05781	0.7
109.06515	12.3
109.10145	1.6
119.08571	1.3
121.06476	0.6
121.10136	1.7
122.07251	1.6
123.08073	16.4
123.11703	0.7
127.00442	0.5
133.10132	1.1
135.08020	2.4
147.11676	1.2
154.94656	0.5
159.11650	0.6
161.10519	0.4
161.13173	0.6
165.12769	0.8
175.14757	0.5
177.16513	0.4
179.14305	89.3
180.14648	3.0
181.79980	0.4
184.07327	2.0
185.07701	1.0
186.07784	1.8
187.08057	1.4
188.08281	0.5
193.15883	2.4
270.97702	0.4
289.25354	0.5
293.21414	0.5
331.26212	2.6
340.28149	1.0
349.27356	100.0
350.27722	6.7
507.29709	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	526.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
53.88179	1.2
55.01865	1.9
55.05507	2.6
56.05029	2.1
57.03443	2.3
67.05499	3.1
67.94502	1.2
69.03421	4.6
69.07085	1.5
69.36932	6.7
70.06594	45.5
71.04990	1.9
72.07807	2.0
72.08160	24.7
73.22600	1.1
79.05489	3.8
81.03409	2.1
81.07057	3.3
82.06570	4.9
84.04515	2.4
84.08134	6.5
85.02914	11.4
86.09704	15.6
87.04466	1.6
91.05481	4.1
93.07030	3.0
94.06580	3.0
95.04967	4.2
95.07397	1.4
95.08602	3.6
97.02893	6.5
98.06054	2.1
99.04424	2.1
103.03899	1.6
103.05439	1.9
107.04960	22.1
107.08620	1.5
108.08084	1.6
109.02853	2.3
110.07146	4.9
110.09685	4.4
114.09162	2.3
115.05445	5.4
117.07042	11.2
120.08073	7.6
121.02920	2.3
123.04426	4.3
127.03915	5.7
128.10704	7.6
129.10239	2.6
131.04915	2.9
131.71402	1.3
133.06488	1.8
136.07584	2.7
137.09729	2.2
139.03909	3.3
140.10739	1.6
143.04892	2.7
144.05740	2.9
145.04947	2.3
145.06496	7.1
151.03857	1.6
152.06184	1.6
161.05971	2.8
165.06992	4.3
166.07713	2.4
167.08580	11.8
169.13463	2.0
171.04410	5.2
171.14909	4.4
178.07738	3.8
180.08636	1.7
181.06491	10.5
181.10091	6.6
182.07263	3.9
183.08058	35.1
185.09608	24.7
189.05400	10.0
189.06912	1.4
190.07681	1.7
191.08536	12.0
194.07286	10.8
195.08040	13.7
197.09622	22.4
199.14464	5.0
203.08574	3.2
207.08119	1.5
209.06026	21.1
209.09598	46.3
210.06381	1.5
210.10011	1.7
211.07518	3.4
211.11084	6.7
211.14417	1.6
213.09114	42.8
214.09450	2.1
219.08034	13.9
221.09676	8.6
223.07527	23.6
225.09097	67.4
226.09488	2.7
229.15468	23.6
237.09096	76.4
238.09468	4.2
239.10669	32.3
241.08578	20.9
241.12228	3.0
243.10269	2.9
247.07501	1.9
255.10149	100.0
256.10471	6.0
265.08603	26.2
266.08990	1.9
269.08075	20.8
283.09650	69.3
284.10025	2.7
285.11316	2.9
293.08072	1.4
301.10696	25.2
302.11160	1.8
311.09131	71.3
312.09503	5.8
328.22333	3.8
329.10190	63.6
330.10562	4.1
346.23770	12.6
347.11252	3.6
361.13824	1.6
363.23587	3.1
364.24811	33.1
365.25220	1.8
480.25589	1.6
503.72217	1.8
508.29056	1.7
525.37756	1.9
526.19202	3.1
526.31390	8.1
527.24951	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	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30003	1.8
55.01858	2.9
55.05516	3.6
55.12910	1.6
56.05035	1.9
58.06581	2.3
65.03937	1.8
67.05495	1.8
69.03438	6.0
70.06594	63.8
70.22176	1.8
70.51841	1.7
71.29862	2.0
72.08154	26.4
79.05506	2.9
81.03417	3.2
81.07063	4.1
82.06568	3.7
83.04996	2.2
84.04507	3.0
84.08150	9.7
85.02895	17.5
86.09711	24.3
91.05487	6.1
93.07026	2.7
95.04970	7.5
95.08642	3.0
96.08125	3.8
97.02866	6.4
99.04454	4.2
103.03918	3.0
105.03394	2.3
105.07008	2.2
107.04951	23.6
107.08561	1.8
109.02905	5.1
110.07179	7.3
110.08925	1.8
110.09707	4.9
114.09163	6.6
115.05444	5.3
117.06248	2.1
117.06993	12.0
120.08133	15.8
121.02901	2.5
123.04443	5.4
127.03904	9.7
128.10716	14.8
129.10245	5.3
130.04301	1.9
131.04921	3.4
132.10146	1.6
133.06505	3.0
136.07597	3.4
143.04930	2.5
145.04974	7.8
145.06468	8.6
150.59079	2.4
152.06154	1.7
161.06046	2.4
163.06102	3.2
165.06985	3.6
166.07637	2.7
167.08582	11.8
169.13377	3.1
170.61024	1.7
171.04445	5.7
171.14938	5.7
177.06981	2.6
178.07729	2.7
179.08533	2.4
181.05087	2.0
181.06490	11.3
181.07848	1.7
181.10056	8.2
182.07130	3.5
183.08066	31.0
185.09618	19.6
189.05493	10.1
190.07722	2.0
191.08585	13.5
193.10167	2.4
194.07254	11.0
195.08049	14.0
197.09616	17.9
197.12686	1.9
199.14447	5.0
203.08589	3.0
209.06000	18.3
209.09605	38.2
211.07568	5.0
211.11111	4.8
213.09113	46.6
214.09735	2.1
219.08076	10.2
221.09717	4.0
223.07553	18.0
224.08073	2.8
225.09099	69.4
226.09525	3.3
229.15434	20.5
237.09102	64.4
238.09442	3.9
239.10672	29.8
241.08585	18.5
241.12328	2.5
247.07541	3.4
255.10150	100.0
256.10452	4.4
265.08597	22.9
269.08118	20.5
273.76108	1.9
283.09650	59.3
285.11188	2.7
293.08456	2.4
301.10712	21.7
311.09109	67.0
312.09366	5.0
328.22742	2.1
329.06424	3.7
329.10199	58.3
330.10449	2.3
346.20129	2.2
346.23666	11.1
347.11334	3.3
362.23483	2.3
363.23813	3.0
364.24765	28.7
516.91827	1.9
526.30548	12.5
527.24719	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	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49058	2.4
67.05503	3.5
69.03444	2.7
69.53088	12.2
70.06589	2.9
72.08136	3.4
79.05505	3.7
81.03422	2.6
81.07076	7.9
84.08145	2.5
85.02903	4.4
85.08319	2.5
86.09723	4.4
91.05506	3.0
93.07056	6.8
95.08625	7.7
97.63277	2.6
105.07070	4.3
110.07183	3.2
119.08643	3.9
129.06985	7.3
129.65407	2.2
131.08575	6.6
141.07018	10.5
143.08551	6.5
145.10155	4.2
155.08453	12.1
157.10199	7.3
159.11678	4.5
171.11751	5.3
173.09535	2.6
177.16714	2.5
181.10132	3.6
183.11711	5.0
185.13268	6.8
195.11720	10.8
195.27289	2.4
197.13211	4.9
199.14862	5.1
209.13289	10.2
211.14859	4.9
213.12706	3.0
215.29063	2.5
223.11197	4.7
227.17975	21.3
237.12798	5.7
237.16380	26.4
239.18021	7.4
241.12183	3.8
252.48817	2.6
255.13719	6.8
255.17419	31.7
258.11371	2.3
265.15866	16.4
273.18469	2.7
283.16922	100.0
284.17249	5.8
285.18558	4.4
301.17978	38.7
311.16336	15.3
329.17499	39.7
330.17661	3.3
347.18558	32.5
526.31775	3.2
527.24646	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	8.8
67.05493	8.0
69.03431	24.0
69.30780	41.4
70.06595	43.1
73.02921	7.0
77.43493	7.9
81.07060	33.9
85.02906	81.8
86.09698	11.7
91.05489	10.8
93.07032	39.3
95.08606	51.6
97.02877	18.1
105.07064	9.9
107.08596	54.9
107.36573	7.1
109.02875	16.9
109.10195	16.9
110.07172	16.8
115.03980	9.2
120.08131	9.9
121.10139	65.3
123.04382	8.7
123.11707	30.2
127.03902	27.2
133.04987	8.2
145.04958	44.9
149.13261	100.0
151.14835	15.6
159.09268	21.9
163.06044	23.0
167.14305	29.3
171.13899	7.7
179.05479	14.7
325.11035	9.8
364.24097	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	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01857	1.4
55.05507	2.6
56.05025	1.6
57.03428	2.0
57.07078	1.0
58.06601	1.4
61.02929	2.0
65.03898	0.9
67.05499	6.9
68.05022	8.7
69.03413	5.2
69.07051	4.1
70.06602	6.8
71.04980	3.0
71.34214	0.8
72.08163	4.4
74.06072	3.9
74.63928	1.2
79.05484	1.4
80.05006	1.3
81.03407	3.2
81.07063	5.1
82.06559	1.6
83.04983	1.7
83.07393	1.0
83.08614	1.0
84.08140	5.4
85.02898	9.3
86.06065	4.2
86.09710	4.7
93.07043	2.5
94.06575	2.3
94.51321	0.9
95.04953	2.8
95.08595	3.0
96.08151	1.1
97.02871	3.2
97.06549	1.1
99.04484	1.9
101.11500	0.9
105.07047	2.3
107.04945	2.3
107.08599	2.4
108.08109	2.5
109.02858	1.1
109.06498	1.0
109.10128	2.4
110.07149	2.1
110.09659	1.7
112.07609	1.2
115.75563	1.0
117.07059	1.1
119.08584	1.1
120.08096	3.6
120.95016	0.8
121.06481	1.4
121.97697	0.9
122.09644	1.8
123.04430	44.7
123.90412	0.9
126.09179	1.0
127.03887	2.1
127.09948	5.7
131.04877	1.0
137.06012	2.2
138.09186	1.1
140.10716	2.7
145.04948	1.2
147.08028	0.9
149.05991	4.7
156.10147	1.4
161.05968	1.9
163.07555	4.7
175.07529	1.3
203.05269	5.5
204.05661	2.0
222.22369	1.0
273.89273	0.9
275.19653	0.9
295.73712	1.0
302.20953	4.5
303.19531	3.0
305.21039	3.6
318.20621	4.1
318.23938	1.2
320.22119	1.8
328.22772	3.5
346.23856	21.8
346.27798	2.0
347.24786	1.1
364.24814	100.0
365.25296	6.9
433.20734	1.4
508.28983	1.4
526.22711	1.7
526.30487	32.0
527.23138	2.5
527.31293	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	526.3375
Annotation	5-O-Desosaminylplatenolide I
Peak:m/z	Relative Intensity
55.01883	0.4
55.05512	0.6
56.05035	0.8
57.03439	1.2
58.06598	3.7
61.02932	1.0
67.05499	1.9
69.03432	3.2
69.07070	0.7
69.80657	1.2
70.06599	1.3
71.05003	0.5
71.07369	1.2
72.08160	1.3
73.02917	1.3
79.05503	0.4
80.84399	0.3
81.03422	1.3
81.07063	1.7
82.06616	0.3
83.08649	0.4
84.08144	6.9
85.02909	3.8
87.04463	1.1
95.04984	0.5
95.08627	1.3
96.08125	2.5
97.02898	1.4
97.08916	0.8
98.23318	0.6
99.04453	0.5
109.02880	0.6
109.10198	0.3
110.09683	5.5
111.10472	4.0
112.11259	0.9
114.09182	0.9
123.04436	9.4
123.05312	0.5
124.11256	2.1
127.03938	0.8
128.10716	11.7
138.12819	0.9
147.08083	0.3
152.14378	0.6
163.07581	0.3
166.15948	0.4
208.20589	0.5
222.22154	9.3
240.23196	1.7
274.96381	0.3
345.26422	0.4
346.27411	16.7
347.27670	1.0
364.28467	15.8
365.28918	0.9
388.29132	0.4
508.32678	9.8
509.32962	0.5
526.33746	100.0
527.34100	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	526.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.86185	0.1
55.05518	1.0
55.63087	0.1
55.94692	0.2
56.05033	1.1
57.03437	0.7
57.05819	0.5
58.06601	1.2
61.02927	0.2
67.05505	0.8
69.03427	0.8
69.07064	0.5
70.04641	0.7
70.06592	3.7
71.04997	0.5
72.08154	100.0
73.02931	0.3
73.07887	0.2
73.08487	1.2
79.05489	1.0
79.71262	0.2
81.03404	0.4
81.07051	1.2
83.04984	0.3
83.08630	0.5
84.08142	1.0
85.02904	1.5
86.06071	0.2
86.09711	0.7
87.04482	0.3
91.05475	1.6
93.07047	1.4
95.04962	0.4
95.08595	0.8
96.08157	0.4
97.02908	0.6
97.06525	0.4
98.09706	0.4
98.22700	0.2
100.07634	0.5
100.11253	1.8
105.07039	1.3
107.04936	0.4
107.08638	0.5
108.08138	0.3
109.06545	0.2
109.10204	0.2
110.07186	0.4
110.09687	0.4
111.04462	0.5
112.11264	0.2
117.07047	0.4
119.08586	0.8
120.08134	0.3
121.10149	0.2
122.09695	0.2
123.08189	0.2
124.11237	1.8
127.03973	0.3
128.07066	0.2
129.07027	0.3
131.08583	0.4
133.10117	0.4
135.32835	0.2
140.07118	0.2
143.08583	0.3
145.10141	0.5
147.11696	0.5
157.10216	0.2
167.10777	0.2
182.15320	1.1
209.16556	0.3
210.14877	1.1
228.15953	0.3
229.15540	0.3
328.26505	0.3
331.74570	0.2
337.21124	0.2
338.53143	0.2
346.23672	0.1
346.27411	3.7
347.28146	0.2
364.24619	0.4
364.28458	5.5
365.29019	0.4
385.14050	0.3
445.32666	0.2
484.25403	0.2
508.32697	0.6
526.33752	44.3
527.28198	0.2
527.34222	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	526.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79296	0.6
53.03923	1.1
55.01833	1.0
55.05513	4.1
56.04999	1.6
57.03389	6.8
58.06553	5.7
59.04967	0.5
61.02874	1.6
61.15960	0.6
64.01212	0.6
65.03883	0.8
66.22229	0.5
67.05507	7.0
69.03426	7.4
69.07068	3.4
69.09612	2.2
69.10030	3.0
70.06593	3.4
71.04961	0.8
71.07343	1.0
72.08156	31.3
73.02873	1.6
79.05470	1.5
81.03362	2.2
81.07059	10.0
83.08561	2.3
84.08152	4.4
85.02905	11.9
85.06483	1.3
85.08930	4.2
86.09637	2.6
87.04414	0.9
91.05479	43.0
92.05766	1.0
93.07018	0.6
95.08071	0.6
95.08606	8.4
96.08089	0.8
97.02888	5.1
97.10122	2.5
98.09693	9.6
99.04417	1.6
102.09185	3.0
105.07033	5.7
109.02824	1.5
109.10175	4.1
112.11164	2.3
117.07027	7.3
119.08592	0.6
123.11643	1.5
125.02198	0.6
127.03847	2.6
129.06915	1.0
131.07692	0.8
131.08565	8.1
132.08684	0.5
141.19116	0.5
143.08528	1.2
145.04926	1.1
145.10062	1.2
146.70186	0.6
220.52502	0.5
328.29971	27.1
328.33902	1.3
329.30359	1.7
346.31042	74.3
347.31390	5.9
364.32092	85.6
365.32355	7.4
418.25595	0.7
508.36328	7.0
509.36804	0.9
526.37408	100.0
527.37628	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	526.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
53.26557	1.6
55.05516	15.0
57.03438	11.0
57.07068	4.6
59.04997	3.1
59.26371	1.6
63.70323	1.6
65.03935	1.9
67.05504	100.0
69.07063	13.3
69.68901	7.2
71.04991	3.1
79.05483	9.7
81.07052	35.5
83.08627	10.7
85.06551	3.1
89.06023	24.1
91.05479	10.5
93.07034	9.6
95.08597	23.5
96.05412	1.9
97.10151	3.4
98.23367	1.8
105.07063	5.1
107.08589	5.4
109.10155	61.6
111.08070	2.0
119.08594	6.7
121.10104	5.5
123.11742	3.6
133.08611	9.9
133.10120	4.5
135.11743	2.4
137.09608	3.7
155.10681	4.2
173.11731	19.1
174.57312	1.8
177.11212	3.3
229.14349	64.9
245.22787	2.0
263.23712	3.7
300.74356	1.9
327.19995	6.2
337.27359	55.1
338.27719	3.0
439.38095	1.8
491.37323	36.4
492.37701	4.0
499.44162	1.8
511.88672	2.0
526.51160	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	526.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
57.07075	66.6
60.86804	0.9
65.24400	1.0
69.07069	7.2
69.23802	9.1
71.08632	53.4
73.06556	4.2
83.08616	3.5
85.10180	35.6
85.90753	0.9
87.04456	2.9
88.60280	1.0
89.06030	100.0
97.10178	3.5
99.11728	8.5
102.36965	1.0
107.07064	2.2
111.11703	3.9
113.13298	7.6
117.09123	3.5
125.13235	1.9
127.14832	4.3
130.08626	1.2
131.07034	1.8
133.08597	70.4
134.08952	1.6
135.10170	1.2
177.11220	26.7
195.12276	1.7
221.13739	5.0
227.23703	2.8
239.14864	3.4
271.26395	3.3
283.17545	3.6
315.28918	3.5
327.20117	18.7
378.73422	1.2
465.38141	1.2
509.40454	13.5
510.40759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19466	0.8
67.05507	0.9
69.07058	1.3
69.61824	4.0
70.06573	2.8
72.08135	2.4
79.05490	1.3
79.70168	0.7
81.07062	2.0
84.08150	0.9
85.02953	0.8
86.09712	1.6
93.07029	1.2
95.04968	1.0
107.08572	0.9
109.10146	1.0
111.34892	0.7
133.10049	0.8
185.04195	1.9
185.55225	0.8
221.11543	5.1
256.55823	0.8
267.08524	1.3
329.08444	15.4
330.51263	0.9
347.09454	5.0
365.23007	1.3
366.29977	0.9
383.16937	1.3
465.20847	3.0
467.18710	1.2
527.20789	100.0
527.31860	3.3
527.59943	0.9
528.21289	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	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01869	5.8
55.05517	4.9
57.03442	3.1
58.06600	3.9
61.02927	3.7
62.30480	1.8
67.05528	3.5
69.03431	29.5
70.06598	50.2
70.88926	3.1
71.04995	4.9
72.08161	13.3
73.02930	5.0
79.05514	3.2
81.03417	32.3
81.07110	2.4
83.04976	6.1
84.04505	3.1
84.08148	9.9
85.02905	70.7
86.09708	22.5
91.03976	1.9
91.05481	8.3
93.04524	1.8
93.07031	2.2
95.04967	6.1
95.79307	1.5
97.02892	40.0
99.04455	42.7
103.03944	54.3
103.04648	2.8
105.03402	5.1
105.07018	9.9
105.32150	1.6
107.04945	3.5
109.02891	35.0
109.06586	2.3
110.07184	3.1
115.03967	1.8
116.07097	2.4
117.07045	3.6
119.04978	3.8
119.08582	8.7
120.08128	10.0
121.10145	3.0
123.04429	7.0
123.08037	3.2
123.20283	1.8
125.09628	3.0
127.03916	100.0
127.08701	3.8
128.06219	3.3
129.07066	3.5
129.10255	5.4
131.08588	2.9
132.10222	2.5
133.06500	5.0
133.10159	11.1
135.08076	7.0
137.06001	4.3
137.09641	3.1
142.07788	14.0
143.08554	2.5
145.04959	46.6
145.06447	3.8
145.10114	7.4
147.11670	9.5
149.09642	6.0
151.07556	11.4
152.08308	20.1
153.09120	6.8
154.82188	2.3
155.08363	3.7
157.10118	21.8
159.08118	4.7
159.11653	2.7
160.08849	23.6
161.09645	18.9
162.06952	1.7
163.06023	6.3
163.07423	1.6
163.45361	1.6
165.09105	20.8
169.04933	2.1
173.09612	8.5
175.11189	56.5
176.11610	2.0
177.09155	6.3
179.10670	8.7
185.09651	16.8
186.10005	2.0
187.06055	7.9
187.11145	3.7
188.08304	8.9
191.10684	10.1
193.12350	1.8
199.06068	2.6
203.10669	58.0
205.07089	2.1
213.12358	1.8
221.11748	43.1
229.15623	4.4
242.32109	1.8
245.11662	2.5
265.12549	1.8
271.08179	3.3
280.12830	1.8
286.17581	3.7
289.08740	1.8
312.09119	2.1
330.24390	3.1
348.25244	19.8
510.30713	10.6
527.20178	2.9
527.30408	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	527.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01873	2.7
55.05511	2.5
55.05726	0.4
56.05011	0.7
57.03429	1.4
61.02925	1.3
65.03933	0.5
67.05495	1.7
69.03080	0.7
69.03427	9.6
69.07067	1.2
69.08975	3.9
70.06591	24.2
71.01354	0.6
71.04990	2.8
71.06905	1.2
72.08157	4.1
73.02901	1.9
74.06062	0.5
77.03925	0.5
79.05495	3.0
81.03414	14.4
81.07054	2.3
83.04975	3.5
84.04485	1.0
84.08138	4.2
85.02901	18.6
86.09209	0.8
86.09703	9.6
86.10223	0.5
91.05474	8.6
93.07058	2.5
95.04977	2.9
95.06036	0.4
95.08595	1.5
97.02889	8.7
98.06026	0.5
99.04451	17.1
99.05099	0.8
101.02414	0.5
102.05516	0.5
103.03941	13.2
103.05417	1.0
105.07028	7.8
107.04935	2.2
107.08589	2.0
109.02868	10.0
109.06521	1.8
109.10143	0.6
110.07166	2.8
111.04439	1.3
111.08084	0.9
115.03934	0.5
115.05441	1.0
115.08698	0.5
116.07085	1.5
117.06969	2.4
119.04934	5.0
119.08570	7.0
120.08100	1.3
121.02840	0.9
121.06474	2.7
121.10119	1.2
123.08065	2.3
125.05941	0.5
126.05459	0.5
127.03910	31.5
128.04234	0.8
128.06221	1.4
129.05469	1.3
129.06999	2.5
129.10258	2.7
130.07784	0.4
131.04984	0.4
131.08577	3.3
133.06503	4.1
133.10135	6.1
135.04454	0.5
135.08057	6.2
136.07553	0.7
137.05948	1.3
137.09607	1.2
139.07542	0.5
141.06969	0.9
141.10248	2.1
142.07785	7.7
143.08568	3.0
143.11845	0.7
145.04950	7.3
145.06479	2.8
145.10112	3.3
146.07277	0.8
147.04399	7.3
147.08066	3.0
147.11711	3.6
148.04747	0.4
149.05966	0.9
149.09598	5.8
151.07596	0.6
151.11162	1.1
155.08318	0.5
157.10115	9.0
158.07280	0.7
159.08038	1.8
159.11665	1.2
160.08838	2.8
161.05951	1.2
161.09613	7.9
162.06767	0.7
162.10315	0.8
163.06018	1.4
163.07463	0.6
163.11188	2.4
165.05478	2.3
165.09093	2.7
169.09732	1.3
169.13316	1.0
170.07373	0.8
171.11417	0.5
173.05946	3.8
173.09639	1.4
175.11177	14.4
177.09103	7.4
179.10667	0.9
185.09613	7.1
187.06013	2.5
187.07526	0.7
187.11102	0.8
188.08340	4.7
191.10651	2.9
193.12193	1.1
197.12852	1.1
203.10661	100.0
204.11023	3.7
205.12256	2.8
211.14418	0.8
213.12312	4.9
214.12610	1.3
219.01662	0.7
219.10173	1.3
221.11719	21.4
222.12157	1.0
223.13342	0.6
237.02890	1.1
239.12769	7.3
244.16548	1.8
245.09265	0.7
253.07115	0.9
263.12891	0.6
271.08176	1.9
282.18137	0.8
305.11218	1.0
323.12265	0.5
347.14923	0.7
353.21655	1.0
363.06329	0.6
365.13287	2.7
366.13571	0.6
381.07074	0.7
383.17004	1.8
407.17368	1.2
447.20157	0.7
473.17926	1.4
491.18866	1.2
509.19238	0.6
527.12018	1.0
527.21735	1.8
527.30798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01876	0.7
55.05530	0.7
56.05031	0.6
57.03438	0.7
58.06601	7.1
61.02922	0.9
63.78170	0.3
67.05502	1.9
68.23000	0.4
69.03427	3.3
69.07075	0.9
69.71220	1.2
69.71586	0.6
70.06593	100.0
71.05007	0.6
71.06927	1.0
72.08159	3.4
73.02916	0.6
77.57915	0.3
79.05510	1.0
81.03419	1.9
81.07066	1.2
83.04977	0.4
84.04505	3.3
84.08150	1.1
85.02908	5.6
85.06503	0.3
86.09704	13.6
87.04448	0.3
88.07671	0.4
91.05476	0.9
93.07049	1.2
94.06577	0.5
95.04987	0.9
95.08620	1.4
96.08130	0.6
97.02896	2.7
97.06526	0.6
99.04476	1.0
102.05554	1.7
103.03941	1.0
105.07019	0.7
107.04955	0.8
107.08611	0.9
108.08137	0.4
109.02885	1.3
109.10173	1.0
110.07160	1.4
114.09209	0.3
115.08711	0.5
116.07117	1.3
119.08675	0.5
120.08135	2.2
121.06577	0.5
121.10139	0.5
122.09663	0.5
123.04427	12.2
127.03924	2.7
127.08675	10.2
128.07056	0.6
128.10687	0.6
129.06622	0.5
129.10268	0.5
133.10202	0.3
135.08087	0.4
135.11732	0.6
136.07607	1.6
137.05936	2.5
137.09602	0.5
141.06580	0.6
145.04968	0.7
147.04396	0.6
147.08011	0.5
149.06001	1.4
153.10120	0.3
155.08148	8.8
156.76782	0.3
159.09258	0.3
159.11699	0.4
162.09172	0.9
163.06151	0.4
163.07512	2.4
169.13327	0.3
170.11758	0.6
172.10921	0.3
173.09312	0.9
177.09123	0.4
181.09708	0.8
181.78038	0.4
183.14957	2.2
185.09299	0.7
187.11241	0.5
188.60199	0.3
189.09018	0.3
197.12946	2.3
201.12408	0.4
205.12224	0.6
207.11322	0.4
208.11800	2.2
211.14380	2.2
215.13889	2.7
223.13345	1.3
225.12317	1.9
229.15469	16.8
230.15797	0.7
230.40392	0.4
235.10789	0.7
240.17052	0.8
243.13309	0.5
247.14375	0.5
261.15945	0.7
263.16354	0.5
268.16635	1.0
269.14975	0.5
284.16452	0.4
286.17615	12.5
287.17911	0.6
288.23099	0.3
289.15561	0.5
291.19537	0.4
310.64371	0.4
313.21481	0.6
328.22351	2.2
330.24237	7.6
331.22336	2.0
348.25317	36.2
349.25861	1.8
351.20483	0.9
360.50439	0.4
366.26358	2.8
379.19766	1.1
390.26636	0.4
464.28790	1.3
492.29260	4.0
510.30630	20.9
511.14117	0.4
511.30869	1.5
528.31750	3.2
548.69397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.9
57.03443	2.5
57.07077	3.1
67.05520	1.8
68.18584	0.2
69.07070	8.1
71.08632	1.8
71.30466	0.5
77.69072	0.3
79.05489	1.6
81.07058	2.9
83.08620	6.8
85.10217	0.6
87.02285	0.2
87.67905	0.3
90.11494	0.3
91.05487	0.8
93.07039	1.7
94.04038	0.5
95.04929	0.3
95.08611	2.0
97.02874	0.7
97.06530	0.7
97.10177	3.9
98.98477	2.4
105.07040	0.7
107.08611	1.3
109.10168	0.6
111.08080	0.4
111.11709	1.2
119.03543	1.2
119.08604	0.4
121.10155	1.1
124.93760	0.7
125.09595	0.4
131.08556	0.3
135.11682	1.0
136.06187	100.0
137.04582	1.0
137.06503	1.0
149.13271	0.5
155.01054	0.7
173.02130	0.7
198.97438	7.2
199.97806	1.1
216.98427	0.4
240.57776	0.3
268.10403	0.8
311.25800	40.2
312.26193	2.0
396.27301	0.4
436.19186	0.6
447.25064	0.5
469.21487	0.3
528.23755	4.4
528.31653	8.7
529.32153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67800	0.8
53.03935	1.3
55.01870	1.0
55.05508	2.4
57.03442	2.6
58.06594	0.9
61.02928	1.1
67.05509	7.6
67.67440	0.7
69.03428	5.0
69.07059	1.4
70.03788	0.7
70.06589	5.6
70.49825	0.6
71.04987	2.4
71.30159	1.0
72.08156	100.0
73.02917	1.3
73.08491	1.6
79.05496	5.1
81.03416	2.4
81.07056	6.9
83.05013	0.8
84.08154	1.8
85.02905	8.5
86.09708	2.2
87.04472	0.9
91.05484	7.1
92.05828	2.0
93.07046	5.7
95.04969	1.0
95.08604	5.2
97.02906	3.3
97.06526	0.9
98.09738	0.7
99.04449	1.0
102.09174	1.5
105.07033	3.0
107.08584	3.5
109.10136	2.0
117.07005	0.8
119.08531	1.2
120.08149	0.8
121.10155	1.7
122.34747	0.7
124.11208	2.2
127.03879	1.6
131.08582	2.0
133.10161	1.2
156.75525	0.7
159.11662	0.8
305.65494	0.7
330.27698	1.9
346.30975	2.6
347.31293	2.7
348.28650	13.6
348.32623	1.1
349.28976	1.1
364.32034	2.8
365.32217	3.4
366.29749	38.4
367.30344	2.5
412.09198	0.8
510.34866	1.6
528.35291	57.2
529.27173	0.6
529.35663	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	528.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.5
55.01842	1.1
55.05451	4.8
56.04977	2.5
57.03374	3.9
58.06546	6.2
61.02878	1.3
65.03898	1.7
67.05441	11.2
69.03366	7.3
69.07065	4.4
70.06528	21.2
71.04953	1.2
71.30137	1.2
72.04445	0.7
72.08089	43.3
72.08530	2.8
73.02871	1.5
73.08443	1.5
79.05499	19.0
81.03427	4.4
81.07058	24.7
82.06519	0.9
83.04939	1.4
83.08578	1.2
84.08147	10.4
85.02908	10.9
85.08925	8.1
86.09708	18.5
91.05488	19.3
91.06012	1.0
92.05783	1.2
93.07040	14.3
95.04964	4.5
95.08606	18.6
96.08086	1.6
97.02885	6.0
97.06473	1.7
98.09690	14.3
99.04449	4.5
103.03959	5.0
103.05412	1.2
105.04471	0.8
105.07032	17.0
107.08602	8.4
108.08074	1.2
109.02863	4.1
109.06449	2.5
109.10110	1.8
110.07092	2.4
110.09635	1.8
112.11176	1.7
113.84834	0.7
117.07018	4.3
119.08581	10.2
120.08032	3.1
121.06450	1.1
121.10082	3.3
122.09653	1.1
123.04380	1.2
123.07993	1.9
124.11211	5.8
126.09112	1.3
126.12759	0.9
127.03920	7.5
127.04832	1.6
128.10631	1.4
129.06941	1.5
129.10168	2.5
131.08565	3.6
133.10094	3.4
135.07968	1.1
136.07523	0.8
139.03857	1.6
139.11070	0.7
140.14284	1.4
143.08553	1.6
145.04965	4.2
145.10147	4.0
146.11719	1.2
147.08034	1.0
147.11693	6.8
156.12984	0.7
157.10071	2.0
159.11493	1.7
163.03819	0.8
163.05939	1.4
169.10072	0.7
169.13330	1.7
171.11674	1.0
172.07112	2.1
173.13158	1.1
177.12672	1.1
185.13028	0.9
187.10898	1.2
187.14787	1.1
188.94214	0.8
196.16891	2.8
197.12865	1.2
205.12178	1.7
221.15341	0.9
222.15762	1.4
223.13217	3.2
227.17554	0.8
228.13303	0.8
243.16968	3.2
245.18655	1.1
285.15585	1.5
318.24423	0.8
328.26230	1.3
330.27917	31.0
331.28250	2.2
332.29468	3.8
342.23914	1.3
348.28970	100.0
349.29285	6.2
366.26303	1.8
366.30090	33.4
367.20831	1.3
367.30542	1.7
391.91406	0.9
408.24673	1.8
510.34296	14.8
511.34805	2.2
528.35400	95.8
529.22900	2.5
529.28253	1.3
529.35522	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	528.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16425	0.5
55.05516	4.6
57.03445	0.9
57.07078	30.1
59.04997	0.7
60.09824	0.4
67.05503	2.2
69.07058	4.2
69.29126	3.7
71.08634	27.7
73.02923	0.7
73.06556	8.3
77.15596	0.5
79.05484	0.7
81.07056	2.2
83.08621	5.3
85.10184	27.1
87.04474	4.9
89.06034	100.0
90.06370	1.3
91.05467	0.9
91.07605	1.1
93.07049	1.1
95.08614	1.2
96.67661	0.5
97.10189	2.4
98.23361	0.8
98.98456	0.7
99.11726	3.0
101.83239	0.4
103.04872	0.4
107.07072	3.5
107.08576	1.1
109.10155	0.6
111.11763	0.7
117.06990	0.5
117.09132	5.3
121.10152	0.8
124.93755	2.8
130.08664	1.3
131.07036	1.0
133.08609	48.3
134.08946	0.9
135.10191	0.6
135.11630	0.7
140.64273	0.5
141.16373	4.7
151.09605	0.6
152.05701	1.7
161.11763	1.4
175.09647	0.6
177.11232	19.3
185.19037	6.7
195.00282	4.0
195.12245	0.6
198.97446	17.2
199.97870	2.8
216.98546	1.5
221.13824	3.0
226.21779	0.6
229.21626	7.1
230.22014	0.8
234.29654	0.6
239.14923	1.2
265.16537	0.6
273.24289	4.7
283.17447	2.0
311.25772	13.6
312.26001	0.9
327.20181	1.7
334.68228	0.5
371.22842	4.1
436.19296	1.2
467.35828	1.3
511.38443	6.6
513.08057	0.5
528.23969	11.3
528.41345	1.0
529.27924	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	528.8952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70996	0.5
68.30817	0.4
70.06584	1.3
71.28575	0.5
72.66638	0.4
84.08170	0.6
94.06522	0.4
94.93011	80.7
109.91713	6.7
112.89626	0.5
116.94297	0.4
148.88049	3.7
162.22795	0.4
174.95583	8.8
175.96339	1.3
176.87509	1.5
204.86972	0.8
215.58801	0.5
220.96143	3.1
230.92439	0.8
232.93788	6.4
256.90152	5.5
257.90878	5.3
258.91718	12.0
264.95126	7.2
270.47305	0.4
284.89636	1.2
296.87079	0.9
302.90683	20.2
303.91125	0.7
312.86752	1.0
314.88330	62.8
315.88666	1.6
332.89282	0.5
340.86276	100.0
341.86533	2.4
358.08353	0.4
358.86417	1.5
366.06522	0.5
367.06366	0.5
420.37790	0.4
425.62061	0.6
440.90811	0.5
466.88565	6.0
484.89792	0.7
528.12585	0.8
528.20471	2.7
528.88788	0.5
529.12189	1.6
529.20868	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	529.1683
Annotation	Erlangerin A
Peak:m/z	Relative Intensity
55.65927	0.6
63.80453	0.6
64.15868	0.6
69.78938	2.6
70.06593	6.0
72.08158	2.3
84.08146	1.7
86.09718	2.1
93.77203	0.6
98.22618	1.0
110.07182	1.0
121.02866	1.2
127.03918	0.7
129.10216	1.4
149.06052	0.7
185.04224	2.3
203.03398	1.2
295.06097	2.4
307.06058	1.0
309.07724	0.9
321.07471	1.1
325.07022	0.8
345.07217	0.8
349.07022	1.9
361.07138	1.5
367.11496	1.5
367.17212	0.8
375.08832	1.0
379.08090	1.1
391.08115	2.4
409.09500	0.8
433.08957	1.1
481.11035	1.2
499.15796	12.0
511.16064	14.1
512.16077	1.4
528.31787	0.8
529.16583	100.0
529.22760	54.0
530.16388	6.9
530.23096	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01869	1.4
55.05525	0.8
57.03432	1.4
59.04988	2.6
60.91763	0.5
67.05502	1.1
68.36935	0.6
69.03429	8.4
69.04286	4.2
69.04697	1.9
69.07074	1.2
70.02569	0.6
70.06579	1.4
71.04987	1.9
72.08151	1.7
73.02908	1.5
79.05486	2.3
81.03410	6.2
81.07034	1.7
82.88057	0.5
83.04980	2.4
84.08144	0.7
85.02905	19.8
85.51331	0.6
85.95402	0.6
86.09726	1.5
87.04418	0.7
91.05482	6.0
93.07040	8.6
95.04942	2.0
95.08622	1.3
97.02284	0.8
97.02891	11.0
97.06527	0.6
97.13809	0.6
99.04456	13.1
103.03941	16.1
103.05442	0.8
104.69191	0.6
105.03384	1.2
105.07034	10.2
107.04961	1.1
107.08600	4.0
109.02882	9.7
109.06525	3.4
109.10193	1.1
111.08073	0.7
113.06017	1.6
117.07014	2.2
119.04946	1.5
119.08574	3.8
121.02883	0.7
121.06507	14.1
121.10128	6.5
121.12457	0.6
123.08080	1.6
127.03916	27.0
129.07053	3.0
131.04944	1.0
131.08575	3.0
133.06491	0.9
133.10124	2.0
135.08047	2.4
135.11722	1.4
137.09633	5.1
139.07568	1.4
142.07773	2.4
144.09320	1.0
145.04965	14.1
145.06453	1.2
145.10143	4.8
147.08011	1.9
147.11713	1.5
149.09616	49.6
150.09938	1.3
157.10138	8.1
159.07985	1.5
159.11676	5.1
161.09615	0.9
163.06007	4.6
163.11189	3.2
164.11952	0.8
169.04999	1.0
169.10104	0.6
172.08855	2.8
175.11186	19.3
177.12737	2.6
187.06065	2.0
187.11179	15.4
188.11510	0.8
189.12735	1.3
193.12267	3.4
195.02852	0.8
205.07074	0.9
205.12259	9.7
207.13808	1.2
223.13292	100.0
224.13608	4.0
229.63965	0.6
236.75235	0.6
253.07198	0.7
271.08224	1.5
295.05957	2.8
296.06522	0.8
307.06281	1.3
307.09470	0.6
321.07568	2.3
325.07034	2.1
333.07480	1.2
335.09100	1.3
345.07257	1.0
349.07028	2.5
361.07037	1.9
363.08597	1.2
378.61682	0.7
379.08032	1.7
391.08105	2.8
409.09088	2.5
415.07852	1.1
427.10138	2.5
433.09015	1.2
481.11227	0.9
493.11267	0.7
511.12274	4.0
529.13483	1.0
529.31903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.6
54.05871	2.6
55.05518	4.9
57.03447	5.2
58.06592	5.7
60.50458	2.6
61.02932	3.9
67.05507	5.4
69.03427	17.5
69.04030	6.2
69.04446	17.1
69.07075	5.6
70.06601	14.2
71.04993	8.7
72.08163	25.2
73.02916	6.0
73.08478	3.2
79.05500	11.7
80.05807	3.3
81.03413	16.2
81.07069	18.0
82.07386	2.9
84.08143	7.9
85.02909	66.0
86.03297	2.7
86.09711	15.3
87.25896	2.7
91.05488	11.7
93.07072	7.5
95.04955	2.4
95.08627	9.6
96.08997	3.9
97.02892	41.4
97.06525	3.8
98.09694	5.2
98.22612	3.9
99.04459	52.7
103.03954	75.2
105.07046	9.7
105.50919	2.7
107.08624	6.5
109.02875	22.7
111.08088	6.3
119.08577	10.0
120.08141	3.3
121.10185	3.5
127.03915	100.0
129.10300	3.2
131.08495	3.9
133.10165	4.0
135.04395	3.4
137.09633	2.7
145.04964	65.0
145.10124	3.6
149.09560	2.6
157.10037	4.0
159.11742	4.6
163.06036	25.7
163.11215	3.3
167.07031	3.1
175.83347	2.7
187.06061	4.7
187.11238	3.5
205.12253	8.7
223.13295	39.5
271.08130	5.0
330.28015	5.5
331.28378	5.8
348.29059	18.8
349.20096	5.8
349.29294	40.2
366.30130	4.8
367.20911	13.9
367.30508	8.9
511.34415	9.1
528.35455	7.6
529.25842	21.9
529.35541	47.9
531.04614	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01863	2.7
55.05503	2.9
57.03439	2.4
59.04994	4.3
61.02909	3.7
63.56882	1.5
69.03422	15.7
69.06987	1.5
69.14145	11.3
70.06576	6.4
71.04986	3.9
72.08155	3.2
73.02905	2.9
81.03410	17.9
83.04969	4.3
85.02901	66.4
86.09695	12.6
87.04472	10.9
91.05479	6.3
92.10429	1.6
93.07035	4.3
95.04971	1.6
95.08562	2.1
97.02287	2.1
97.02895	33.2
98.22623	3.5
99.04456	43.7
103.03939	77.8
105.07027	14.7
107.08583	2.4
109.02886	23.7
109.06515	9.9
109.10127	3.1
115.03997	2.7
119.08563	4.9
120.08093	3.6
121.06498	17.7
121.10115	2.9
122.07234	2.1
125.05995	2.0
127.03912	100.0
128.04185	2.1
131.08554	2.1
135.11662	1.9
137.09610	27.7
145.04955	66.6
145.10106	2.6
149.05965	2.0
149.09610	6.6
159.11667	2.7
161.15555	1.5
163.03926	3.5
163.06021	30.7
163.07379	1.8
163.11104	2.4
175.11208	3.4
177.12782	2.4
187.05981	7.3
187.11166	2.6
205.07059	3.2
205.12212	6.3
223.13286	71.9
224.13776	3.1
271.08032	4.7
279.81192	1.5
289.09186	2.7
302.14917	3.2
307.10043	1.5
528.34686	1.7
529.20038	8.7
529.34009	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	529.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.05497	7.8
56.05013	3.4
58.06600	3.7
67.05502	5.8
69.03429	19.1
69.07063	3.8
70.06597	87.8
71.04967	3.6
71.06920	9.0
72.08155	27.1
73.02917	2.9
73.08495	2.8
79.05486	5.3
81.03432	12.7
81.07072	4.5
82.43183	2.5
84.08138	10.3
85.02913	48.9
86.09222	3.4
86.09709	62.7
91.05502	14.4
93.07053	5.6
95.04965	4.5
97.02894	19.5
99.04472	27.1
103.03944	46.2
105.07041	17.9
107.08595	15.7
109.02897	21.3
109.06535	3.3
110.07133	3.1
111.04433	2.8
117.07020	6.2
119.08572	10.3
120.08092	5.1
121.06514	20.3
121.10145	6.4
123.04410	4.9
123.08074	8.5
127.03920	64.0
128.10683	4.4
129.07011	3.3
129.10229	6.8
130.07758	4.7
131.08574	8.3
132.10185	3.1
133.10103	8.9
135.08060	33.2
135.11732	4.9
137.09595	3.9
142.13048	3.6
143.08577	4.4
143.11790	3.5
144.09280	4.7
145.04965	42.6
145.10129	24.6
147.08037	3.1
147.11603	2.3
149.05975	3.0
149.09586	5.0
151.07539	10.5
157.09775	5.7
157.13364	2.4
159.11708	32.2
161.09650	11.7
163.06035	21.6
163.07431	5.2
163.11220	6.2
169.12207	4.5
170.12576	3.6
171.11310	4.9
172.08784	4.8
177.12788	18.4
179.10643	4.5
185.09169	4.5
187.05943	4.1
187.11163	16.0
191.08066	7.5
195.38341	2.7
201.10321	2.6
201.12279	6.4
205.12247	100.0
223.13260	20.7
228.13457	3.1
229.11867	3.4
271.08121	3.8
316.18695	10.9
317.19086	12.1
348.25348	4.4
349.25623	10.3
350.13269	5.9
511.31061	10.1
529.22791	24.5
529.32550	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	529.2414
Annotation	13'-Deoxy-7',8'-dihydro-13'-oxo-satratoxin H
Peak:m/z	Relative Intensity
52.58096	1.9
55.05505	3.8
57.03437	3.6
58.06599	4.4
61.02918	2.7
67.05501	7.3
69.03432	6.7
69.07057	5.2
70.06599	15.8
71.29972	2.5
72.08160	54.5
73.08486	6.7
74.21259	1.7
79.05492	6.1
81.03412	4.5
81.07052	12.3
84.08144	5.8
85.02912	10.9
85.08915	2.1
86.09714	14.3
91.05518	4.4
93.07048	9.9
95.04979	2.1
95.08616	8.4
97.02875	3.0
98.09702	2.9
99.04461	3.4
103.03919	2.6
105.07042	7.7
107.08586	5.9
108.13050	1.6
109.02902	3.6
109.10169	3.3
110.07182	2.0
119.08544	4.3
121.10128	4.3
127.03938	4.6
133.10104	2.7
137.70345	1.9
145.04990	2.8
145.10162	3.4
147.11671	2.9
149.13287	2.5
159.11697	4.6
171.11879	2.0
205.12267	3.3
206.74281	2.0
223.13290	2.4
253.12923	2.0
332.29367	5.7
337.49173	1.7
350.30569	12.3
367.18030	13.7
368.31650	8.2
512.35406	2.7
528.34692	2.9
529.23981	100.0
529.35364	24.8
530.24561	7.3
530.37592	14.9
541.72235	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38463	0.5
57.07082	2.6
58.52958	0.5
62.98215	0.8
70.06606	3.5
70.37407	1.7
71.08635	1.3
76.46076	0.5
77.51759	0.5
81.07047	0.7
83.93962	0.5
88.07637	4.8
89.06007	0.6
102.09177	2.8
124.93779	16.2
135.74463	0.6
136.06178	3.4
142.94812	2.9
147.74739	0.6
152.77142	0.5
162.91077	0.7
198.97443	100.0
199.97749	0.8
214.70882	0.5
216.98494	6.6
228.23163	0.7
240.00046	0.8
256.26355	36.1
283.26511	0.6
313.27295	1.0
437.20438	11.8
511.24677	0.7
529.25153	58.0
530.25488	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	529.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39732	1.3
53.03941	2.2
55.05511	7.2
57.03430	3.1
65.50907	1.5
67.05180	2.2
67.05508	20.2
69.07055	5.9
69.92916	6.0
79.05490	13.4
81.07059	19.5
83.08611	2.8
86.09676	1.6
91.05473	5.6
93.07036	13.7
95.08602	11.7
98.23308	2.0
102.91079	1.5
104.10741	2.7
104.71443	1.5
105.07011	5.5
106.32995	1.4
107.08585	6.5
109.10161	5.9
115.03724	2.1
119.08587	3.2
120.96616	2.3
121.10140	3.5
131.08524	2.0
133.10127	2.4
135.11649	1.5
146.98106	1.9
156.97501	2.3
159.11711	1.4
174.98489	2.7
176.99245	27.6
194.93408	2.2
195.00304	84.2
213.00160	2.4
269.04041	4.4
335.25839	13.2
375.24988	6.9
437.20697	12.4
455.20630	2.7
469.39099	1.5
493.16034	2.1
511.12558	1.9
511.24292	8.5
529.25323	100.0
530.25659	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	529.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94624	2.1
55.05509	8.3
59.03363	2.0
61.74021	2.4
69.81802	9.3
70.06589	9.6
72.07754	4.9
72.08157	100.0
86.09711	63.2
114.05534	8.3
139.33260	2.1
143.11829	12.6
170.75179	2.5
171.11324	6.1
185.09239	24.1
213.15909	3.1
246.14528	6.6
256.16608	20.7
263.94958	2.8
284.16040	51.1
284.19598	11.2
349.25793	2.8
397.24567	3.3
436.20621	2.5
498.71295	2.4
512.78497	2.9
530.32880	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	529.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.2
57.03419	1.1
57.07059	0.9
58.31021	0.6
64.06532	0.5
67.05508	8.6
69.07066	2.9
70.56281	1.3
72.08784	0.5
73.02905	0.5
78.46985	0.5
79.05067	0.6
79.05492	6.4
81.07049	8.3
83.08589	2.0
87.04424	0.6
89.06001	1.3
91.05478	5.1
93.07049	6.7
95.04936	0.8
95.08607	6.4
97.06507	1.0
97.10152	0.8
105.07029	3.6
107.08614	4.2
109.10159	3.4
117.06986	2.4
119.08595	3.1
120.20348	0.6
121.10123	2.7
123.11701	0.7
129.06972	0.8
131.08577	3.5
133.10153	3.4
135.11682	1.8
143.08574	1.1
145.10098	3.5
147.11671	1.4
149.13182	1.5
157.10129	1.4
159.11647	1.7
161.13216	0.7
163.14745	0.6
171.11615	0.9
173.13193	1.4
183.11641	1.1
185.13275	0.7
195.08264	0.9
195.09937	13.1
195.11725	0.9
195.13707	0.7
199.14902	0.9
251.12486	2.4
261.21851	0.6
335.25787	2.1
357.23761	2.0
387.87064	0.5
437.34192	1.3
455.35019	0.8
466.01846	0.6
473.57990	0.6
511.37723	0.8
529.34674	100.0
529.50708	2.2
530.35144	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
53.03953	6.3
55.05510	22.5
57.03443	6.5
57.07071	5.7
65.03938	2.9
67.05505	74.7
68.05842	2.0
69.07071	25.5
70.49620	3.4
71.04998	3.2
79.05492	62.0
81.03416	1.4
81.07058	73.8
83.04997	3.5
83.08624	12.3
85.06538	3.9
87.04450	4.1
91.05483	40.6
93.07046	66.6
95.04977	9.9
95.08607	38.2
97.06520	8.9
97.10173	3.1
99.08096	3.6
105.04532	2.9
105.07026	23.4
107.08592	31.4
109.06493	1.7
109.10143	12.0
111.08090	5.2
113.47160	1.2
115.05414	1.5
117.07019	13.1
119.08587	15.6
121.06480	2.2
121.10138	28.3
123.11716	3.8
129.07005	2.9
131.08580	19.7
133.10146	13.5
135.08083	1.8
135.11694	17.3
143.08549	5.7
144.09358	1.5
145.10138	10.5
147.11664	8.3
149.13257	26.4
151.11108	1.4
155.08557	1.4
157.10144	5.3
159.11682	16.3
161.13275	5.0
168.54153	1.3
169.10150	2.3
171.11734	4.2
173.13274	5.0
174.80588	1.5
177.12773	5.8
178.20471	1.2
183.11690	1.9
185.13330	2.4
187.14876	4.1
195.12038	1.9
195.13852	6.7
197.13307	1.7
211.14883	1.8
227.67297	1.2
231.78259	1.4
243.21078	2.1
256.26367	1.6
259.20535	1.3
261.22040	7.0
279.20657	1.5
284.32172	1.5
314.76715	1.5
317.24704	1.6
387.89969	1.3
419.32971	2.5
437.34149	5.6
455.35397	2.6
511.37726	2.1
529.38885	100.0
530.39056	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	530.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20265	1.3
53.03945	7.4
55.01867	2.2
55.05517	2.5
57.03425	1.9
58.06583	1.7
59.04997	1.2
61.02928	4.1
67.05497	3.7
69.03427	12.4
69.07070	1.9
70.06596	8.8
70.24567	4.5
71.04983	7.3
72.08155	41.2
73.02931	3.6
79.05510	3.5
81.03416	12.5
81.07054	4.7
83.04997	2.0
84.08133	3.1
85.02907	62.6
86.09702	10.9
87.04467	1.8
91.05476	3.0
93.07057	3.0
95.04984	1.7
95.08617	4.8
97.02895	39.2
97.06545	2.1
98.09697	2.2
99.04456	40.4
103.03946	61.9
105.03402	20.3
105.07039	3.0
107.08597	2.1
109.02888	21.8
112.08736	2.0
115.08710	1.3
117.07027	1.7
119.08550	2.3
121.10148	1.5
123.04462	1.5
125.05986	1.7
127.03918	100.0
144.10228	1.2
145.04959	58.1
160.07590	3.2
163.06020	39.4
163.07358	2.9
169.04950	2.9
175.04070	1.6
185.16560	1.5
187.06020	4.5
189.09081	2.0
202.08665	3.9
205.07188	2.0
207.13672	1.7
213.16011	2.3
217.56189	1.4
219.11252	2.2
237.58371	1.5
271.08176	8.5
289.09253	8.5
292.40076	1.3
307.10217	4.2
312.22913	1.3
318.18243	1.7
332.29456	1.9
337.10507	1.4
350.30695	6.8
368.31641	4.7
512.35547	1.5
530.23828	3.4
530.36353	19.3
531.31445	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	530.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.60226	0.4
55.01877	0.4
55.05513	3.9
55.17413	0.4
56.05024	0.9
57.05808	0.5
58.06607	0.5
60.77252	0.4
61.02925	0.4
61.78428	0.3
62.63523	0.3
67.05512	2.1
69.03431	5.6
69.07057	2.6
69.30772	2.6
70.02946	0.6
70.06596	12.9
71.04989	1.3
71.57529	0.3
72.08154	30.8
73.08463	0.4
77.03918	0.4
79.05498	1.6
81.03412	2.3
81.07056	1.9
82.06634	0.5
83.05005	0.8
84.04510	1.4
84.08147	2.9
85.02900	4.5
86.06099	0.5
86.09705	100.0
87.05585	0.6
87.10047	1.3
88.03983	1.0
91.05482	1.5
93.07037	1.6
95.04961	1.5
95.06079	0.6
95.08609	1.9
96.04528	0.7
96.08138	0.6
97.02886	2.9
97.06514	0.8
98.09711	0.5
99.04455	3.4
102.05534	1.1
103.03929	4.5
103.05474	0.5
105.07036	3.1
107.04950	0.5
107.08590	1.4
109.02889	2.4
109.06518	1.0
109.10165	1.2
110.07237	1.0
110.09687	0.8
111.08081	0.5
112.08710	1.0
114.05534	0.6
114.09157	1.2
115.08704	1.7
116.03503	0.5
116.07085	1.6
119.08594	2.1
120.08090	2.9
121.06501	0.8
121.08474	0.5
121.10152	1.9
121.41073	0.4
122.07280	0.4
123.04468	2.0
123.08051	0.8
126.09135	0.7
127.03918	6.8
127.08681	0.6
128.04262	0.7
128.10718	1.3
129.10204	1.8
130.06604	0.5
131.08611	0.9
132.10184	0.8
133.10129	2.5
135.08083	0.5
135.11667	0.9
136.07582	0.5
137.05949	0.7
137.09601	1.6
139.11179	1.8
139.19351	0.4
141.05492	0.7
141.06578	7.2
141.10219	0.5
143.11848	1.9
144.10193	0.6
145.04948	3.5
145.10094	0.6
146.05219	0.4
147.08022	0.6
147.11713	1.3
149.05864	0.5
149.09634	1.0
151.07596	0.6
151.11160	0.5
155.08299	0.5
156.09236	0.4
157.13388	0.8
158.57257	0.4
159.07657	4.3
159.09006	0.7
159.11655	0.8
160.01096	0.4
161.13203	1.1
163.05984	1.9
163.11191	1.4
166.08595	0.5
171.11443	1.7
173.12837	0.9
174.10400	0.5
183.11290	0.7
183.14987	0.9
185.12823	0.5
185.16464	4.5
187.07170	7.3
187.10838	0.9
189.12724	3.2
192.10089	0.5
201.12354	3.1
205.12215	0.8
206.12558	0.6
207.13806	11.3
211.10820	0.4
213.12411	0.8
213.15973	3.1
215.10324	0.5
215.13971	1.1
223.13271	1.1
224.13640	1.2
225.14841	4.2
229.11853	1.3
230.06923	0.8
231.17052	5.8
245.18677	0.4
254.15059	1.7
257.09186	0.7
263.14026	0.4
272.16064	3.6
282.14603	0.6
284.19913	0.4
285.08667	1.0
286.13989	1.2
287.10217	2.3
300.15533	31.5
301.15961	0.9
303.09799	4.0
307.09579	0.4
310.17740	0.5
328.18689	1.3
345.10754	0.6
350.26782	1.4
353.21902	2.8
363.11853	0.7
368.27939	1.6
369.09344	3.8
369.28217	0.4
371.22934	4.4
399.22198	4.6
410.22638	2.3
454.19608	1.1
469.24026	0.6
512.20422	2.0
512.31708	1.0
530.27063	0.8
530.33356	6.6
531.17249	0.6
531.24298	1.5
531.33362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41921	0.5
55.05502	0.7
56.05020	1.6
58.06592	1.1
60.08163	16.7
67.05490	1.9
69.07040	0.9
71.07369	8.4
71.30584	0.8
79.09333	0.6
81.07029	1.7
86.09703	51.6
87.10009	0.9
91.05479	11.0
93.07046	0.8
95.08584	1.9
97.10184	0.7
97.66354	0.6
98.98463	5.6
104.10741	98.4
105.06991	2.1
105.11066	1.1
107.08633	0.7
109.10165	1.0
117.07004	1.0
125.00002	30.8
131.08548	1.9
184.07336	100.0
185.07690	0.9
237.25238	0.6
282.62482	0.6
324.41003	0.7
344.96884	0.6
347.25934	1.2
453.23859	1.0
512.31329	7.9
530.32385	21.7
530.40265	1.4
531.32867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.6
57.05823	0.5
57.25280	0.4
60.05650	6.8
69.07066	10.5
69.95251	1.5
70.06591	27.0
71.04980	0.4
72.08150	2.0
74.30414	0.4
74.35459	0.4
84.04502	15.0
84.08141	1.5
85.02885	0.9
85.72878	0.3
86.09702	95.4
87.10037	1.5
95.06060	0.5
96.46853	0.4
96.56222	0.4
102.05539	9.7
110.07158	0.5
112.07600	0.9
112.08727	4.0
113.07155	1.4
114.10300	0.8
115.08694	4.2
116.07088	8.9
128.11839	0.6
129.06602	9.2
129.10246	0.8
130.09734	3.8
133.09735	1.4
136.07489	0.3
140.07079	0.6
141.06577	0.8
141.10204	0.3
152.10680	0.8
156.11330	7.7
157.10873	0.8
158.09248	7.3
170.11778	6.1
175.11905	18.8
176.12213	0.4
185.10323	0.5
197.12837	7.4
199.18042	2.1
215.13905	28.5
216.14268	0.7
225.12419	1.3
226.15477	0.5
241.50743	0.6
243.13382	4.3
246.70535	0.4
248.06317	0.4
254.14888	0.4
271.17667	7.0
288.20392	1.0
338.20792	0.4
401.28717	2.2
512.31787	5.2
513.30206	1.5
530.32953	100.0
531.33405	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	530.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05034	0.8
58.06594	0.5
60.05651	5.5
68.05022	1.0
69.03424	0.7
69.04490	0.6
69.04822	3.3
69.07066	2.6
70.02961	0.4
70.06593	100.0
71.04995	5.1
71.06924	1.9
72.08154	10.5
74.06084	1.4
81.03426	0.6
83.06116	1.4
84.04501	4.6
84.08144	6.7
85.02913	0.9
85.07663	0.6
85.08467	0.5
86.09705	37.8
87.10049	0.6
88.07635	2.1
91.05477	0.7
95.06089	0.8
97.02908	0.5
97.07651	2.0
98.06061	2.7
99.04455	0.4
101.07137	0.7
102.05543	1.7
104.32070	0.4
109.02874	0.4
110.06026	0.4
110.07165	3.7
112.07614	20.1
112.08738	25.9
113.07166	0.5
115.08700	4.5
116.07117	1.2
119.04964	0.4
120.08110	0.9
125.07096	0.6
127.03909	1.0
127.08703	1.0
129.06612	0.7
129.10243	5.9
129.11217	0.6
130.05025	1.0
130.08656	0.5
133.06120	0.4
136.07608	1.4
137.06003	0.3
138.06563	0.3
138.12810	1.9
140.07086	13.3
140.08192	4.3
141.07462	0.4
141.10243	1.1
142.08583	0.4
142.09741	0.3
143.11804	0.7
144.06601	0.9
147.11330	0.7
148.06029	1.8
152.08214	1.6
154.86739	0.4
155.08234	0.3
156.11331	0.8
157.09734	5.2
157.10890	5.9
157.13338	0.3
158.09206	0.5
162.07657	0.9
166.12259	0.6
171.05896	0.4
171.11368	0.4
172.10837	0.4
172.93733	0.5
175.11926	1.4
182.16519	2.1
183.14931	9.1
187.10780	1.0
193.09743	0.3
197.12888	0.6
199.14450	0.5
199.18045	2.5
201.12393	0.7
207.06480	0.7
208.14505	1.4
210.16034	3.7
211.14359	1.7
215.13763	1.7
225.17094	26.3
226.17439	1.1
227.17619	0.6
231.09749	0.4
236.13988	0.6
238.44844	0.4
239.83371	0.4
240.13472	1.4
242.19774	2.9
244.16576	0.8
245.11313	0.5
253.16620	4.0
261.14581	0.8
263.12457	1.7
268.12933	4.5
269.20923	0.5
270.19162	1.9
271.17642	1.1
272.12473	1.4
286.14087	0.4
288.20300	0.9
323.17255	0.5
338.25574	0.7
343.16211	0.5
343.20126	0.5
351.16705	0.5
355.28363	1.7
366.25183	0.6
369.17758	1.1
383.27579	2.0
384.26260	1.0
401.28723	2.2
410.24188	0.4
469.88367	0.4
495.20789	1.5
512.23523	2.3
512.30963	0.7
513.30475	4.9
514.30408	0.4
530.32990	91.2
531.33521	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.7
57.07066	10.2
58.06594	9.7
58.79060	8.0
61.02928	9.3
63.65971	8.2
64.48895	7.6
67.05509	93.4
69.07065	20.0
69.85889	9.1
70.06586	12.4
71.30685	13.0
72.08152	10.5
74.47594	8.8
78.75313	11.3
79.05499	68.2
81.07057	75.3
82.78653	9.6
83.04979	11.8
85.06554	13.2
86.09745	15.2
89.41830	9.0
91.05485	100.0
93.07055	63.9
95.08617	65.8
99.08109	14.8
104.10698	15.8
105.07018	78.4
107.08601	37.1
109.10172	32.0
117.07015	27.9
119.08599	73.4
121.10130	42.0
123.11649	10.4
129.07018	23.3
129.37291	8.7
131.08562	37.5
133.10107	56.6
135.11687	40.0
143.08569	14.7
145.10135	41.0
147.11705	41.4
148.62488	8.8
149.09662	10.8
149.13208	19.9
157.10124	11.5
159.11700	30.3
161.13289	58.9
163.14798	15.1
171.11673	41.6
173.13260	19.3
175.14825	43.1
185.13275	22.5
199.14844	12.4
213.16489	11.0
241.19609	57.4
255.92450	9.2
259.20535	72.5
351.25247	29.7
358.58066	9.8
363.77039	12.5
530.30792	91.3
531.31378	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	530.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00450	0.6
53.03947	1.5
55.01871	1.5
55.05510	4.3
56.05033	1.2
57.03430	2.1
58.06608	1.6
58.32504	0.6
61.02928	1.8
62.78558	0.7
65.03931	0.8
67.05507	11.9
69.03421	5.2
69.07066	2.9
70.06596	7.4
71.05009	0.9
71.07374	1.2
71.30330	0.8
71.77432	0.6
72.08157	100.0
73.02907	0.8
73.08496	1.5
75.29823	0.6
77.24130	0.6
79.05492	8.0
81.03417	2.1
81.07059	9.1
83.04971	1.5
83.08629	2.2
84.08143	2.2
85.02908	8.5
86.09706	9.9
87.04508	0.6
91.05489	6.9
93.07047	5.9
95.05001	1.1
95.08592	5.0
97.02898	3.6
97.06538	1.3
99.04421	1.0
100.07623	0.8
100.11261	3.1
102.09179	1.2
103.03932	0.8
105.04553	0.6
105.07037	3.9
107.08595	3.5
109.02902	1.0
109.06488	0.9
109.10180	2.0
110.07191	0.7
111.04502	1.0
117.07029	1.4
119.08601	3.0
121.10160	1.9
123.11727	0.7
127.03961	2.0
131.08603	1.5
132.10138	0.9
133.10158	2.3
135.11739	1.5
145.10130	1.4
159.11711	0.8
168.13901	1.3
182.15376	1.5
185.16585	0.7
196.13440	0.8
209.63176	0.8
210.14917	2.1
222.08690	0.7
291.43579	0.6
332.29449	4.9
350.26602	0.6
350.30521	30.8
351.30847	2.0
368.31592	55.4
369.27435	0.6
369.31897	4.2
423.82462	0.8
512.35577	1.0
530.36926	76.3
531.25818	0.9
531.35510	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84446	0.9
53.03963	2.6
55.01900	2.1
55.05513	4.4
56.05056	3.3
57.03442	4.2
57.05798	1.1
58.06599	8.3
61.02925	2.7
63.90030	1.0
67.05497	12.6
67.05777	1.3
69.03422	10.0
69.07079	4.8
70.06585	14.5
70.06951	1.2
71.04986	2.4
71.30376	1.6
72.08153	38.1
73.02918	2.3
79.05492	12.0
81.03434	4.9
81.07056	22.0
83.05027	1.8
83.08650	2.4
84.04527	1.5
84.08141	12.1
85.02902	13.9
85.08945	3.6
86.09703	39.3
87.04491	2.4
88.04027	1.6
91.05479	8.0
91.29451	1.1
93.07044	11.6
93.38043	1.0
95.04993	3.4
95.08607	16.3
97.02882	6.8
97.06515	1.3
98.09691	5.8
99.04494	3.3
101.07190	1.3
102.05583	2.7
103.03921	5.4
103.05449	1.1
105.07024	7.1
107.08601	7.3
109.02898	3.2
109.06538	2.4
109.10186	2.8
110.07227	1.3
110.09697	2.5
111.08147	1.3
113.77703	1.1
117.07011	2.0
119.08625	4.9
120.08121	4.2
121.06429	1.4
121.10174	3.9
123.08136	2.5
124.11266	1.4
127.03925	10.8
128.10724	6.4
129.10294	4.9
131.08568	1.7
133.10170	2.7
135.08072	1.2
135.11711	1.7
140.08110	1.1
143.11853	2.0
145.05023	3.1
145.10196	2.1
146.11717	1.5
147.04482	1.4
147.11723	2.8
149.09686	1.6
159.11745	1.5
161.13275	2.2
163.11191	1.4
168.06593	1.3
171.11459	2.4
173.13086	1.1
175.03979	2.0
177.12836	1.3
190.08643	1.4
192.10301	2.2
201.12355	5.4
207.06648	4.7
207.13954	2.9
215.14008	2.0
217.09784	1.5
218.16895	1.2
222.08488	1.6
223.08766	1.5
225.14931	2.1
229.11938	2.2
245.18607	1.3
279.09821	2.8
286.14227	3.2
307.09518	1.1
332.29404	13.8
333.29919	1.4
339.11749	8.2
350.26294	1.9
350.30490	32.5
351.30841	2.1
368.31619	51.2
369.32138	3.9
512.35815	20.9
513.36243	1.8
530.37085	100.0
531.24573	1.5
531.37518	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	530.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65918	0.5
53.03947	1.2
55.01874	1.3
55.05515	3.9
56.05035	1.1
57.03432	1.3
58.06590	2.5
60.05633	0.6
61.02934	1.6
67.05502	15.0
69.03427	6.4
69.07069	1.6
70.06594	5.3
70.56743	1.2
71.04995	0.8
71.07368	1.2
72.08154	100.0
73.02901	0.9
73.08479	1.5
79.05487	8.4
81.03423	2.0
81.07056	8.0
83.08620	0.8
84.08146	2.0
85.02902	7.7
85.06538	0.8
86.09707	7.0
87.04485	0.7
91.05481	6.4
93.07044	7.1
95.04987	0.8
95.08604	5.3
97.02874	3.0
97.06555	1.2
98.09700	0.7
99.04449	0.9
100.07619	1.6
100.11272	1.1
102.09194	1.2
105.07008	4.2
107.08597	4.4
109.10176	2.6
110.05828	0.7
111.08087	0.6
112.08733	1.0
117.07056	1.6
119.08603	2.6
121.06556	0.6
121.10150	3.4
127.03962	2.4
129.10258	0.8
131.08585	1.8
133.10165	2.1
135.11716	0.9
145.10158	2.2
147.11710	1.1
149.13281	1.1
159.11780	1.0
161.13321	0.6
238.73538	0.6
240.38702	0.6
277.18158	0.7
311.03262	0.7
314.28558	0.9
332.29321	4.0
350.30530	34.0
351.31140	1.8
368.31573	58.0
369.31876	4.0
380.40292	0.6
512.36035	1.0
530.37012	88.1
531.37079	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	530.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87847	1.3
53.03937	1.6
55.05507	15.1
57.03432	16.7
57.07074	37.6
67.05502	54.8
69.07064	25.6
71.04984	6.4
71.08630	26.8
73.06561	1.9
79.05490	9.4
81.07052	89.8
83.04974	1.9
83.08611	14.0
85.06535	17.3
85.10173	17.4
87.04450	6.3
89.06010	1.7
91.05485	5.6
93.07021	5.5
95.08601	89.3
97.06509	3.4
97.10159	5.8
98.23246	6.2
99.08089	4.4
103.07578	2.2
105.07024	6.0
109.10142	10.0
119.08552	4.5
121.10130	4.5
123.11726	7.8
137.13263	5.1
147.11681	13.8
165.12772	9.7
183.13762	5.3
201.14885	5.3
239.23813	2.6
257.17453	100.0
258.17819	4.7
313.27338	97.2
314.27634	5.9
384.79507	1.5
495.40427	58.8
496.40616	5.8
513.34564	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	531.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82640	0.2
69.06471	1.2
69.36134	0.2
70.06578	0.7
72.08149	0.2
82.13065	0.2
84.04527	0.2
84.08145	0.3
85.02906	0.2
86.09716	0.5
127.03923	0.2
207.06549	1.0
305.08478	0.6
347.09409	0.3
358.79831	0.2
365.10519	1.0
369.18851	2.4
513.23120	3.3
531.24127	100.0
532.24445	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	531.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.5
64.81234	10.2
69.03424	21.1
69.07063	14.9
70.06593	40.6
70.75863	24.6
72.08143	38.0
81.03432	17.4
84.04523	13.1
84.08128	26.9
85.02898	82.3
86.09706	100.0
87.10063	10.5
88.03998	11.4
97.02866	21.7
98.23314	12.3
99.04462	25.3
103.03943	75.7
105.07027	16.3
107.08607	13.0
109.02884	14.3
119.08583	28.4
127.03903	91.5
134.01996	10.5
135.11703	22.7
145.05011	66.1
147.11684	35.2
159.09206	37.7
163.06058	35.3
189.12756	31.2
199.51158	11.5
207.13760	23.3
224.12903	12.6
225.13005	15.5
225.14909	35.8
230.07727	19.9
287.09830	22.4
302.11285	13.1
350.79489	11.0
380.73474	13.1
531.18036	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
67.05510	17.0
69.03394	15.4
70.06587	17.6
71.04985	11.0
72.08146	14.0
79.05465	7.6
84.04506	11.8
85.02897	49.5
86.09696	23.4
93.07040	9.2
95.08591	26.4
97.02886	26.4
99.04453	33.8
103.03936	61.6
105.07011	17.0
107.08587	13.9
109.02895	11.0
119.08580	15.7
121.10146	10.7
123.08075	26.4
127.03932	59.3
135.11635	12.2
137.09665	13.6
145.04944	35.4
149.09613	65.0
161.13266	9.2
161.87323	9.3
163.06010	17.9
171.94099	6.8
189.12767	28.1
207.13773	100.0
225.14903	19.6
459.30704	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	531.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	5.6
55.05520	7.4
57.03425	5.3
58.24553	3.9
61.02935	6.4
65.03955	5.8
67.05493	5.2
69.03432	28.1
69.08041	16.3
69.08450	26.9
70.06602	7.4
72.08159	8.9
79.05501	6.3
81.03394	11.8
81.07068	8.0
81.43672	4.9
85.02907	100.0
86.09730	28.4
87.10032	9.7
91.05469	41.3
92.80376	4.3
93.07050	12.0
95.04996	9.9
95.08621	8.7
97.02905	19.0
97.06553	10.1
99.04448	29.3
99.13988	5.3
103.03952	54.0
105.07050	13.7
107.08600	77.0
109.02906	16.4
109.06544	9.6
111.08080	7.4
118.93987	4.7
119.04961	30.8
119.08624	8.6
121.10177	10.2
123.04440	4.9
123.11722	6.1
127.03916	61.8
128.04277	5.8
128.10710	17.8
131.08553	53.8
133.10127	7.7
135.11681	5.1
137.09608	7.3
145.04950	46.3
147.04399	29.7
147.11723	21.7
149.09666	18.0
152.19891	5.2
161.13298	6.5
163.06046	31.2
165.12756	7.1
175.03896	42.9
189.12770	29.5
189.14363	4.8
201.12398	7.7
207.06537	94.1
207.13838	71.7
225.14886	52.5
229.11804	6.2
271.08163	6.0
293.04202	5.1
327.08490	10.5
343.20200	5.1
380.94296	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	531.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05494	2.3
65.85323	1.4
67.05507	8.1
69.03082	2.6
69.03431	32.7
69.07066	4.7
70.06573	1.3
70.64661	1.6
70.65002	1.8
71.04977	3.7
79.05477	9.6
81.03429	7.4
81.07050	8.2
83.04982	3.2
83.26488	1.3
85.02910	14.5
91.05494	3.4
93.07054	5.9
95.04980	6.8
95.08611	5.0
97.02914	9.7
97.06554	3.5
99.04440	11.9
103.03952	14.5
103.05492	1.4
103.71843	1.4
105.07016	13.8
107.04942	1.9
107.08571	4.2
109.02895	8.1
109.03546	1.9
109.06528	5.4
109.10136	2.0
110.07310	1.5
111.08123	3.4
119.08543	10.4
121.06528	2.5
121.10146	8.6
123.04405	11.3
123.08074	4.7
127.03933	22.1
133.06494	6.2
133.10120	16.4
133.31348	1.4
137.05981	4.1
137.09613	13.7
139.11172	15.6
143.08707	1.4
145.04962	13.4
145.10117	2.4
147.08075	1.8
147.11681	11.4
151.07484	3.0
153.09114	2.6
156.09335	2.9
159.11603	1.6
161.13298	8.1
163.06021	4.3
163.11206	5.8
165.12839	2.0
171.11728	6.4
174.10355	3.3
189.12744	20.5
192.31824	1.4
207.13806	100.0
208.14195	4.3
225.14839	24.0
271.08154	2.3
357.67368	1.5
368.26849	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	531.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.0
53.51421	2.5
55.05504	7.4
59.01267	2.7
67.05504	8.3
69.03421	12.8
70.44398	3.6
70.44722	7.9
71.04974	6.2
71.28741	3.2
74.65229	2.7
76.63271	3.1
78.10388	3.2
79.05498	7.2
79.85912	2.8
81.03423	15.5
81.07063	3.4
83.04975	4.4
85.02903	61.6
86.09691	3.8
91.05487	10.2
93.07067	9.5
95.04950	4.7
95.08620	10.4
97.02911	23.1
97.06543	4.1
99.04453	37.5
103.03946	85.4
105.07051	19.8
107.08596	24.5
109.02873	21.8
109.06512	5.2
109.10143	12.5
119.08601	38.1
121.06503	7.8
121.10131	5.1
123.08066	42.1
127.03918	96.8
131.08549	9.6
133.10115	10.0
135.08090	7.6
137.09608	36.3
145.04955	70.7
147.08060	3.2
147.11658	26.3
159.11676	15.2
161.13240	18.0
163.06007	54.1
171.11717	3.3
177.12735	10.8
187.06024	6.3
189.12764	13.0
193.50772	3.0
205.07097	4.4
207.13805	100.0
208.14178	4.4
225.14850	10.5
236.73982	3.5
271.08078	8.8
307.10327	11.7
315.24533	3.2
316.60815	2.9
356.07336	3.7
428.58755	3.2
460.79666	3.3
486.09366	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	531.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26831	1.9
57.07078	6.7
59.82462	2.3
63.41832	2.0
69.60201	9.5
70.06586	3.3
71.08652	3.2
88.07653	4.0
88.26118	2.3
91.68621	2.2
102.09231	3.3
105.00129	5.7
111.99648	2.3
124.41203	1.9
136.06213	14.5
190.51491	2.0
191.70856	2.1
198.97447	10.7
199.97914	3.4
200.98019	3.9
207.95728	2.0
256.26407	14.2
257.26617	18.2
258.27390	2.3
314.27899	6.4
531.29498	100.0
532.29938	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	531.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27159	1.9
55.05520	3.1
57.07081	4.3
60.08162	1.9
62.46262	1.5
66.44769	1.4
67.05499	2.8
69.11214	7.9
69.11636	7.2
71.08617	3.1
73.32458	1.6
81.07092	4.3
83.08633	2.5
86.09688	9.4
91.05518	2.6
93.07071	3.3
95.08631	5.4
98.18025	1.7
104.10746	41.3
105.00139	2.1
109.10158	2.1
131.89279	1.6
146.98178	4.4
195.00357	6.0
314.27585	1.8
327.29080	2.5
461.38474	1.9
473.26370	21.4
531.29333	100.0
532.28754	1.9
532.34308	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	531.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39321	0.4
67.05516	0.6
69.03426	0.7
70.06586	1.4
72.08164	1.9
74.05092	0.4
79.05506	0.4
81.07063	0.8
84.08155	0.8
85.02891	1.0
86.09710	1.1
91.05470	0.5
92.91459	0.4
93.07018	0.8
94.70270	0.4
95.08608	0.7
95.91313	0.4
98.23387	1.4
99.04461	0.5
105.06996	0.5
107.08617	0.8
109.06485	0.5
109.10155	0.5
110.07187	0.6
119.08605	0.6
121.06521	0.4
127.03899	0.6
133.10127	0.6
145.05022	0.5
165.09021	0.5
192.03914	0.4
203.05386	2.3
207.06583	1.1
269.91299	0.4
351.28842	1.3
352.32526	0.6
369.29898	0.5
370.33292	0.7
411.30710	0.4
531.35059	100.0
532.35358	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	532.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.7
56.21920	1.7
56.87006	1.7
57.07069	2.0
63.30793	1.7
67.05514	9.5
69.03419	6.0
69.06676	12.0
69.07091	3.8
70.06576	4.7
71.04987	6.7
72.08150	7.9
72.56900	1.5
79.05498	5.8
81.03403	3.8
81.07043	8.8
83.04987	2.2
84.08132	2.6
85.02914	23.1
85.06523	3.0
86.09684	2.9
91.05453	4.7
93.07034	6.2
95.04964	5.8
95.08591	9.2
97.02915	8.5
97.06491	2.7
98.23349	3.8
99.04450	9.7
103.03945	21.3
105.07021	8.9
107.08600	12.5
109.02871	4.3
109.06521	100.0
109.10166	22.5
110.06966	1.9
111.08110	1.5
115.05500	1.6
117.06988	2.8
119.08588	4.1
121.10127	3.9
123.08086	10.3
127.03908	25.0
131.08557	15.5
133.10149	12.4
135.08055	39.6
136.08380	2.5
145.04987	10.8
145.10095	3.6
146.46661	1.4
147.11676	3.4
149.09602	4.5
153.09076	4.4
153.89098	1.6
158.10844	2.1
163.06009	12.5
173.13234	16.6
191.14310	77.7
192.14667	2.8
209.15373	75.5
210.15678	2.8
226.83086	1.6
236.72327	1.7
271.08063	2.7
273.14807	1.7
307.10123	3.3
352.15833	2.8
369.16833	2.6
370.16943	6.4
481.03625	1.8
532.22272	24.3
532.36554	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	532.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59781	3.4
51.71579	3.2
55.01881	6.2
55.05516	10.1
57.03449	4.3
57.07053	5.1
58.06595	7.8
59.05003	3.2
67.05498	13.6
69.03420	7.3
69.07059	12.0
70.06586	18.8
72.08155	30.5
73.02887	4.7
73.06545	10.3
76.61465	3.4
79.05497	13.0
81.03394	5.1
81.07047	22.3
83.08599	6.9
84.08147	9.3
85.02894	27.9
85.08897	4.4
86.09695	16.0
87.04467	4.9
89.06048	7.1
91.05482	12.8
93.07058	19.8
95.04926	5.8
95.08611	24.4
97.02882	11.6
98.09693	9.0
99.04481	7.2
103.03922	16.9
105.07034	17.4
107.08601	35.3
109.02914	4.9
109.06511	21.5
109.10165	12.5
110.07123	4.6
119.04946	3.7
119.08595	12.0
121.10115	18.8
123.08086	3.7
127.03924	23.7
131.08566	14.9
133.10136	32.3
135.08055	14.5
135.11737	7.4
145.04953	14.3
145.10176	8.8
147.04399	5.0
147.11681	62.7
149.09621	5.6
149.13237	32.3
158.10878	3.6
161.11736	9.8
163.06032	18.8
163.14850	5.6
173.13274	19.3
179.12776	6.1
191.12753	8.4
191.14301	100.0
192.14767	4.1
207.06573	8.3
208.06920	7.6
209.15320	17.0
307.10202	5.9
334.10229	3.2
334.30960	14.3
352.31940	30.8
370.29150	4.3
370.33224	27.7
514.37006	14.1
532.38629	77.7
533.38940	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	532.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.05527	1.2
57.07073	1.8
58.06595	1.4
67.05502	6.1
69.03443	5.8
69.06057	10.0
69.07063	2.7
70.06589	3.3
71.05000	4.6
72.08151	5.1
74.00820	0.9
75.23232	0.9
79.05483	4.8
81.03430	4.0
81.07066	5.1
84.08154	2.8
85.02908	20.1
85.03374	1.9
85.06567	2.2
86.09712	2.8
91.05473	7.7
93.07022	5.0
95.04981	3.5
95.08604	5.4
97.01745	1.0
97.02899	6.1
97.06544	4.1
99.04443	11.5
103.03942	20.3
105.07040	12.3
107.08601	5.7
109.02887	4.4
109.06520	58.1
109.10155	12.5
111.08080	1.7
114.91998	1.0
117.06998	1.1
119.08589	3.6
120.08131	2.2
121.06487	1.5
121.10143	3.9
122.34123	1.1
123.08070	5.6
127.03915	21.8
131.08566	20.5
133.10129	68.2
134.10498	2.2
135.08061	25.3
135.11732	1.3
143.08583	2.0
145.04955	13.0
145.10089	6.0
147.11714	3.1
149.09624	2.8
149.13290	3.9
153.09193	2.3
158.10933	4.2
163.06017	6.4
163.14824	1.5
173.13274	38.4
174.13588	1.5
191.14310	100.0
192.14665	3.4
207.06592	1.3
209.15366	39.7
209.17274	2.1
210.15659	1.9
291.53064	1.0
307.10242	2.1
370.29062	1.9
493.03320	1.2
532.34692	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	532.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	2.0
61.48644	0.4
65.74048	0.4
68.05029	0.6
69.89667	1.3
70.06596	91.2
71.06945	1.0
72.08158	2.1
84.04551	0.7
84.08151	0.9
86.06068	2.1
86.09711	1.7
91.05481	0.8
92.94836	0.5
93.07045	1.5
99.09187	0.6
101.68719	0.4
103.05458	5.2
109.42312	0.6
112.08730	5.1
113.07140	1.5
114.05559	0.8
114.10361	0.5
115.08697	6.8
115.09426	0.6
116.07108	3.2
120.08109	100.0
121.08454	2.0
126.25340	0.4
130.09787	1.5
131.04852	0.4
134.99745	0.4
140.08189	9.9
158.09261	6.5
175.11929	7.7
185.10373	1.0
190.09824	0.6
195.11345	0.8
210.12474	0.8
212.13933	2.9
217.13387	0.8
230.15100	0.5
242.12920	0.7
255.14528	17.8
256.14722	0.9
272.17233	3.1
305.16238	0.5
352.28381	0.9
357.19223	0.4
370.29626	2.1
402.21365	2.0
419.24683	0.6
514.27417	0.8
514.34241	0.9
532.28766	86.9
533.20288	1.5
533.28912	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	532.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45573	0.8
53.91970	0.9
55.05513	6.2
56.05031	11.8
57.03431	1.4
58.06591	3.3
59.03751	0.9
60.04532	1.7
63.81084	0.9
68.05057	1.0
69.07066	7.7
69.46664	5.2
70.06213	1.0
70.06595	17.4
72.08157	69.1
72.49692	0.9
73.08490	1.0
74.05666	1.9
74.06082	33.8
83.06099	1.1
84.04507	40.8
84.08150	11.4
85.02916	2.3
85.04823	1.3
86.09709	100.0
87.10053	4.5
96.04522	1.3
98.09751	1.3
99.04443	1.0
101.07152	12.6
102.05541	24.1
102.06168	1.7
103.03940	1.5
110.07183	4.0
110.09698	2.3
112.07612	1.7
113.07114	1.5
115.08678	1.2
116.07114	1.4
120.06566	1.0
120.08121	2.3
122.99648	0.9
124.29477	1.1
127.03938	1.2
128.10721	7.0
129.06599	24.0
129.10252	7.7
129.31619	1.1
130.04979	1.4
138.09180	1.8
141.06618	2.0
141.10310	1.0
143.11790	2.4
152.10732	3.4
153.22729	1.0
155.11801	3.7
157.13374	2.2
159.75449	0.9
162.07625	2.2
169.13312	1.8
170.11807	7.0
171.11281	1.3
173.12863	52.1
174.13211	1.9
183.11346	3.3
185.12856	1.6
185.16499	1.2
189.12401	6.6
197.12866	29.0
201.12349	35.7
202.12700	1.5
207.11307	1.4
213.15874	1.1
215.10640	2.2
215.13921	45.0
216.14214	1.6
225.12350	13.4
229.11945	1.2
240.09868	1.4
243.13391	16.5
258.10916	2.4
272.16034	1.6
275.16104	2.2
290.17166	9.5
298.17618	1.3
300.15549	2.0
308.16046	10.2
314.17200	2.7
326.17087	32.9
327.17358	1.4
344.18143	14.6
365.42276	1.1
365.60822	1.0
379.23401	6.9
397.24469	3.8
407.22708	5.4
415.25528	2.8
425.23868	10.5
429.57245	1.3
532.28503	1.7
532.35547	1.4
533.22009	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91349	6.7
55.05508	9.6
57.25894	6.9
63.21516	6.8
67.05230	7.5
67.05511	82.0
69.05949	50.4
69.06358	25.3
69.07082	10.0
79.05517	42.2
81.07051	83.5
83.08629	8.7
91.05471	29.9
93.07063	56.9
95.08611	55.5
98.22582	14.6
105.07042	17.9
107.08588	34.7
108.76063	7.6
109.10160	34.2
117.07034	12.5
119.08604	13.9
121.10112	41.9
123.11713	16.9
131.08591	10.6
133.10161	13.8
135.11703	24.6
145.10062	12.0
147.11676	16.4
149.13277	13.7
159.11737	15.6
161.13213	9.3
163.14867	13.0
173.13278	14.3
177.16409	9.4
187.14871	9.9
203.38983	7.6
234.43919	7.2
243.18785	9.1
243.20982	37.0
261.22147	100.0
284.59030	7.4
335.25903	22.8
353.26862	26.5
502.94266	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40784	6.7
55.05518	9.9
55.59286	7.1
61.02937	11.9
67.05502	54.6
69.06361	59.0
69.06671	9.2
69.07079	13.5
73.05675	7.1
74.13396	6.9
74.20403	7.1
79.05495	39.6
81.07056	67.7
85.42542	7.1
91.05484	25.3
93.07043	50.7
95.08618	46.6
95.75562	7.1
98.23412	11.1
105.04435	8.2
105.07037	17.0
107.08591	24.1
109.10145	40.7
112.27969	7.3
113.75879	8.3
119.08593	13.6
121.10150	23.4
123.11679	14.9
131.08580	16.3
133.10153	11.8
135.11662	25.9
145.10069	13.9
147.11717	12.9
149.13242	19.8
159.11678	15.5
161.13223	11.8
163.14879	14.4
173.13171	13.2
175.14854	8.6
180.61731	7.4
187.14795	8.4
243.21059	22.9
261.22119	100.0
275.35675	7.0
335.25861	14.0
353.26877	24.1
374.01166	8.5
394.07214	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	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.2
57.06330	12.4
59.89417	11.5
67.05521	60.8
79.05497	44.9
81.07072	71.1
83.08636	12.5
91.05527	18.5
93.07050	59.9
95.08622	48.2
105.07011	12.6
107.08604	42.7
109.10175	13.8
121.10170	39.7
128.40378	13.3
131.08585	36.5
135.11678	11.8
145.10130	21.2
149.13277	18.7
150.91238	11.2
159.11723	19.4
163.14699	12.5
183.08414	15.4
193.04982	22.7
243.21205	33.6
261.22214	100.0
353.26804	46.0
431.27435	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46505	10.1
55.05504	31.7
56.47807	9.9
57.07080	50.2
60.04534	17.6
67.05514	87.8
69.07054	32.7
69.13672	80.5
70.85095	10.0
71.08643	15.0
71.15112	9.6
71.95107	9.0
73.02917	10.4
79.05489	43.8
81.07053	100.0
82.06586	28.3
83.08616	31.9
83.31284	10.2
87.83116	12.0
88.37726	10.2
91.05480	36.0
93.07053	25.4
93.62400	9.8
94.06551	16.5
95.08608	64.7
97.10126	13.5
104.94551	10.6
105.00111	33.6
105.07063	10.5
107.08585	24.2
109.10162	33.4
117.06973	19.1
119.08559	25.2
119.27766	10.2
121.10172	11.5
123.11710	19.1
131.08557	18.8
145.10190	13.3
149.13206	12.6
156.21637	10.5
165.69226	10.6
188.90031	10.1
215.17975	13.1
233.18105	12.1
243.21068	22.9
248.92740	11.0
249.94565	10.8
259.19049	34.1
260.23819	73.7
278.24640	13.9
296.61871	10.5
313.27414	31.2
316.55377	10.6
381.51013	12.9
424.79523	11.6
497.41644	12.5
498.44104	13.2
502.30267	10.2
534.56635	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
53.50198	0.4
55.01867	3.8
55.05500	1.7
55.55295	0.5
57.03191	0.7
57.03437	7.1
59.04979	0.6
61.02925	10.8
67.05495	3.1
69.03432	31.2
69.07068	8.7
70.06586	1.8
71.01357	0.6
71.04993	4.3
72.08148	2.1
73.02912	5.1
79.05501	3.5
81.03418	13.2
81.07045	4.8
83.01345	1.8
83.04956	1.3
83.08607	2.2
84.08147	0.9
85.02901	100.0
85.06552	0.8
86.03238	1.1
86.09686	1.8
87.04473	4.5
91.03947	6.7
91.05457	3.6
93.07047	5.2
95.04961	7.6
95.08600	4.7
97.02887	35.3
97.06538	3.4
99.04446	7.1
101.02369	0.5
103.03947	1.0
105.07025	3.2
107.04967	0.7
107.08593	5.9
109.02878	11.7
109.06511	5.0
109.10138	2.1
111.08081	0.9
113.05988	0.8
115.03963	1.2
117.07050	1.1
119.04942	0.5
119.08568	4.3
120.08098	1.1
121.06503	3.5
121.10151	4.1
122.07294	5.0
123.08068	18.9
123.08942	1.2
123.11691	1.2
124.08469	0.9
127.03912	31.4
127.07559	1.1
128.04199	1.1
131.08574	1.5
133.10114	5.4
135.08049	31.7
135.11659	3.9
136.08337	0.7
137.09637	1.0
145.04953	45.6
145.10143	1.3
147.04404	3.7
147.10640	0.6
147.11635	2.6
148.08798	1.1
149.09624	2.1
149.13254	1.1
159.08090	0.5
161.67696	0.5
163.05991	7.0
163.14816	1.0
165.12744	21.3
166.13080	0.9
171.06506	2.6
173.13300	1.5
175.14810	5.5
176.11909	3.1
177.12694	1.1
189.07599	3.0
191.14299	83.3
192.14659	4.3
193.15871	13.4
194.16190	0.6
207.13771	3.3
209.15375	13.8
210.15665	1.0
225.05737	0.6
285.07513	1.2
309.16937	1.3
329.08258	0.7
334.31436	0.6
353.19455	2.9
371.20612	8.5
371.33322	0.9
380.89389	0.6
497.37125	0.7
533.25928	21.1
533.38556	1.5
534.26282	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01873	1.3
55.05507	7.6
56.05038	1.0
57.03436	4.1
57.07064	1.4
58.06611	0.9
59.04995	1.3
61.02931	2.9
67.05497	4.1
69.03429	16.4
69.07075	4.6
70.06594	10.9
71.04993	14.4
71.30249	0.9
72.08164	6.8
73.02924	3.3
73.08517	0.9
79.05489	4.7
79.28625	0.8
81.03416	19.7
81.07056	5.8
83.04990	3.8
83.08630	6.9
84.04516	0.9
84.08148	2.8
84.65430	0.8
85.02905	79.5
85.06548	4.5
86.03270	1.0
86.09718	5.8
87.04499	1.0
90.36872	0.8
91.05469	4.5
93.07053	8.3
95.04971	13.4
95.08609	5.2
97.02895	22.0
97.06530	13.2
98.31588	0.9
99.04454	72.3
99.08092	1.8
100.04792	1.4
103.03941	91.7
104.04319	1.2
105.07034	12.1
107.08582	15.1
109.02880	17.9
109.06519	20.2
109.10146	5.9
110.07079	1.0
111.08106	2.4
113.09653	1.6
117.07063	0.9
119.04930	1.0
119.08598	8.1
120.08110	2.9
121.10126	13.0
123.08073	12.1
123.10902	0.8
123.11722	3.7
125.09579	1.7
127.03916	100.0
128.04282	2.7
131.08580	4.7
133.10126	17.3
135.08064	3.7
135.11717	1.9
139.11209	1.9
143.08600	1.2
145.04958	63.7
145.10139	2.7
146.05342	2.4
147.11682	18.3
148.12114	0.8
149.09615	2.4
149.13277	4.2
151.11201	2.0
153.09100	9.9
158.11011	1.1
159.09247	1.2
163.03990	1.6
163.06024	36.7
163.11156	1.3
163.14836	4.8
164.06396	1.4
165.12769	10.5
167.10677	1.7
169.05020	1.2
169.12291	2.7
171.10197	1.2
173.13255	8.9
183.13776	9.8
187.05994	7.9
191.14314	17.6
198.77573	1.0
205.07069	4.6
209.15370	39.8
210.15727	1.7
227.16411	41.7
253.07138	0.9
271.08191	2.6
289.09152	3.6
307.10269	3.7
311.32321	1.0
372.31335	1.1
497.24133	1.9
533.25415	1.3
534.35999	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	533.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05513	10.8
57.03425	2.8
57.07070	3.1
64.69826	1.0
67.05505	10.1
68.50348	0.8
69.06721	1.5
69.07069	15.5
71.04993	1.9
71.08627	2.7
71.30556	1.1
74.48141	0.8
79.05480	7.4
81.07056	11.9
83.08626	8.6
91.05505	2.2
93.07039	6.3
95.08601	11.3
97.06540	5.6
97.10170	5.4
105.07015	2.1
107.08603	3.9
109.10134	5.7
111.11732	1.1
115.03685	2.0
117.78327	0.9
119.08579	1.1
121.10138	5.0
133.10101	1.1
135.11705	3.7
149.13358	1.1
168.06537	1.0
176.99232	25.6
177.05492	1.6
181.12244	4.1
195.00308	63.6
213.00053	1.0
218.01799	1.1
259.74908	0.9
269.04031	3.7
318.68991	0.9
335.25662	1.1
339.28946	16.8
379.28140	4.1
388.51358	1.0
432.40005	0.9
441.23828	11.4
442.23935	1.3
459.24597	1.7
511.39111	1.0
515.27344	7.8
533.28467	100.0
534.28809	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	534.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	76.0
63.40614	0.6
63.93322	0.5
69.30524	3.4
70.06593	0.7
70.42638	0.6
71.95252	1.2
72.96048	4.2
74.97589	0.9
83.97632	2.3
84.96016	0.7
91.01240	0.6
98.23380	1.1
120.08064	1.1
144.96758	0.7
162.97937	0.6
163.00668	1.5
165.02219	1.8
167.03833	1.1
176.03824	11.7
178.05376	10.2
179.00258	0.7
181.01720	2.2
183.03302	7.5
190.01837	0.8
192.03351	2.4
194.04889	7.2
196.06453	7.1
197.01224	1.8
199.02753	0.7
201.04391	6.5
204.03311	5.5
208.02814	5.2
210.04352	2.6
219.05482	0.8
222.04376	52.2
223.01390	1.0
226.03831	4.7
240.05424	49.4
241.05753	1.1
245.05983	1.1
322.92065	0.7
351.10117	2.9
369.11206	100.0
370.11389	5.5
387.12271	16.5
388.12558	0.8
410.13980	1.4
476.83994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.6
57.07069	1.2
63.60197	1.0
67.05511	2.7
69.07067	4.3
69.25700	7.2
70.06589	3.9
71.04999	1.6
72.08148	4.0
79.05517	5.2
81.03421	1.7
81.07062	12.9
83.08612	1.9
84.08153	3.7
85.02898	3.1
85.06550	1.4
86.09689	2.0
91.05496	4.8
92.48593	1.0
93.07043	12.8
93.26731	1.1
95.04995	1.8
95.08611	12.6
97.02892	1.2
97.06516	1.3
99.04469	2.2
99.08095	1.4
100.11211	1.2
103.03937	1.9
105.07033	15.6
107.08598	14.6
109.10186	2.8
111.08173	1.2
117.07007	2.0
119.08588	34.1
120.08093	2.5
123.11721	2.5
127.03914	3.3
131.08572	1.9
133.10139	36.3
135.11696	27.1
147.11720	4.4
149.13284	2.0
160.09706	1.4
164.55579	1.3
175.14827	100.0
176.15144	3.2
177.16403	2.1
193.15862	29.4
197.02319	1.3
228.04787	5.1
287.27222	1.2
534.32025	1.5
535.21368	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62959	15.0
55.05516	20.6
69.03438	27.0
69.07061	18.1
70.06600	85.1
71.30363	30.1
72.08154	71.8
79.05521	19.9
81.03417	22.5
81.07045	39.5
84.08150	45.9
85.02916	100.0
86.09692	89.3
93.07113	21.6
95.08617	27.0
96.51534	16.9
97.02869	23.5
99.04468	27.8
103.03946	40.9
105.07036	39.6
109.02888	31.2
110.07198	19.2
119.08620	19.1
120.08118	64.7
121.10143	19.8
127.03914	57.5
129.83177	18.8
133.10194	40.0
145.05029	26.6
149.02464	24.5
163.05991	26.5
175.14827	28.5
534.19922	18.1
534.34644	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.8
56.05036	8.7
57.03427	8.4
58.06593	8.0
58.81359	3.5
60.04517	4.0
62.59034	4.7
67.05498	13.0
69.03434	12.4
69.07063	13.8
70.06598	50.2
71.05007	6.8
72.08156	77.5
74.06102	4.3
79.05500	8.2
81.03423	9.5
81.07049	11.5
83.08618	4.3
84.04514	6.9
84.08137	16.4
85.02911	35.7
86.09711	55.5
86.10193	7.4
87.10052	4.9
91.05481	15.2
93.07040	20.6
95.04982	8.6
95.08633	9.2
97.02885	13.7
97.06618	3.8
98.23376	9.7
99.04478	9.3
103.03927	19.7
103.05474	3.7
105.07008	19.0
106.92184	3.8
107.08596	8.8
109.02885	11.4
109.06502	7.1
109.10143	7.4
110.07172	12.4
111.04459	3.6
117.07002	5.0
119.08567	20.3
120.08109	100.0
121.10141	11.2
123.08056	4.4
123.11695	4.5
127.03933	28.4
129.10265	12.0
131.08562	5.1
133.10135	40.6
135.08002	6.5
135.11765	5.1
137.09581	4.6
145.04936	10.7
147.04344	5.3
151.11159	9.5
162.09169	4.8
163.06046	6.2
163.11157	4.2
175.11206	7.4
175.14838	38.0
177.05519	7.6
184.07530	5.6
184.40718	4.0
191.14287	5.5
193.12254	13.1
201.10287	4.7
209.15240	5.3
211.13254	7.9
230.08167	4.1
231.17804	3.6
247.10748	6.1
269.15247	4.7
309.32077	3.6
354.30118	11.7
372.27362	14.4
372.31158	12.9
394.03970	4.2
394.17554	14.1
422.16949	8.8
517.22784	14.2
534.35956	33.1
535.20667	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	534.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73987	0.5
53.03947	1.2
55.01871	0.7
55.05507	1.0
56.05026	2.1
57.03457	3.1
58.06593	2.0
61.02925	1.6
65.03934	0.6
65.88080	0.6
66.45544	0.5
67.05505	4.5
69.03439	4.5
69.07095	7.0
69.07525	1.2
70.06594	11.3
71.04994	1.3
72.08157	100.0
73.02918	0.5
73.08496	1.2
74.27702	0.5
75.20280	0.5
79.05498	2.4
81.03419	2.6
81.07057	4.6
83.04985	1.2
83.08646	0.8
84.04538	0.6
84.08151	3.8
85.02908	7.8
85.06557	1.4
85.08965	0.8
86.09702	11.3
87.04455	1.3
91.05492	1.9
93.07047	2.4
95.04970	86.1
95.08611	2.0
96.05309	1.5
96.08137	1.3
97.02898	5.1
97.06550	1.3
98.09706	1.8
99.04436	3.4
102.09182	11.2
103.03931	1.9
103.05457	0.6
105.07052	0.8
107.08591	1.9
109.02876	2.2
109.06539	1.6
109.10171	1.3
110.07188	0.7
110.09704	0.9
111.04450	1.2
111.08071	0.6
115.04039	0.5
116.07126	0.8
119.08588	1.0
120.08119	3.8
121.06533	0.7
121.10164	1.1
122.09669	4.5
123.10488	0.9
123.11738	0.9
124.11258	2.1
127.03920	3.7
127.08720	0.6
128.10741	1.9
129.10278	1.2
130.75993	0.6
131.08524	0.6
133.10132	1.0
134.10428	0.6
135.08043	0.7
135.11702	2.3
140.10657	1.2
145.04935	1.4
145.10159	0.7
149.09665	1.2
151.11198	0.8
153.12772	1.6
166.08633	1.1
173.13115	0.7
183.13747	1.0
199.18045	2.6
217.14308	1.2
217.55846	0.6
227.17564	1.5
228.16808	0.9
273.18399	0.7
287.05399	2.6
291.19547	10.0
324.25391	0.6
326.26816	0.9
336.25269	5.3
341.25479	0.8
354.26376	29.3
355.26627	2.1
372.27411	47.0
373.27722	2.5
492.00302	0.7
498.30688	0.7
516.31750	3.5
534.32678	82.2
535.33130	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	534.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03946	1.3
55.05236	0.4
55.05511	8.5
56.05037	5.1
56.05809	0.2
57.06797	0.2
57.07073	4.2
58.02943	0.6
58.06606	1.0
60.04522	3.9
65.03922	0.8
67.04258	0.3
67.05503	16.0
68.05024	1.8
69.02929	0.6
69.03355	1.0
69.07066	9.7
69.24538	0.2
70.06592	2.3
71.08633	2.3
71.43089	0.2
72.04502	0.3
74.06026	0.2
76.04030	0.3
79.05489	14.1
80.04567	0.4
80.05013	4.8
80.05764	0.2
81.03429	0.2
81.05791	2.1
81.07054	14.1
81.30875	0.2
82.06577	8.9
83.04953	0.5
83.08615	6.0
84.08119	0.5
85.10172	1.0
86.06047	0.4
91.05477	12.0
93.05782	0.6
93.07040	12.3
94.06563	21.9
95.04969	1.6
95.07349	11.5
95.08601	9.8
95.09117	0.2
95.09222	0.4
96.08129	5.9
97.06516	0.5
97.10166	3.2
98.06045	0.6
98.09634	0.2
98.23296	0.5
100.07593	0.4
103.05495	0.3
105.04517	0.8
105.07027	7.9
106.06576	0.2
107.07339	0.7
107.08589	6.2
108.08112	4.1
109.09447	0.3
109.10146	4.4
110.09682	0.7
111.08067	0.4
111.11702	0.7
117.07000	0.4
119.08576	7.0
119.09435	0.4
121.08852	0.7
121.10143	6.2
122.09658	2.9
123.08090	0.3
123.11700	1.5
124.11190	0.6
133.10121	4.4
134.09627	0.5
135.10449	0.7
135.11684	3.6
136.11217	0.8
137.13240	0.9
147.11668	1.7
149.13243	1.4
150.12766	0.4
151.14789	0.6
161.13261	0.8
163.14816	0.6
165.16431	0.3
175.14825	0.4
177.16315	0.2
182.18985	0.4
183.00717	0.2
189.16397	0.4
191.17889	0.4
193.19655	0.5
196.20560	0.5
203.18028	0.2
205.19452	0.3
209.18927	0.3
219.21097	1.0
226.44670	0.2
233.22646	3.7
234.22150	0.6
236.04099	0.2
236.23666	0.2
237.22054	0.3
245.22639	4.2
248.23854	0.4
250.25290	10.3
251.25577	0.4
254.24741	1.1
260.23727	0.3
262.25284	100.0
263.25714	4.0
272.25836	4.3
280.26331	11.0
296.25665	0.3
312.97992	0.2
314.26688	0.3
457.58499	0.2
486.46735	0.3
504.47824	1.5
516.47662	6.1
517.47754	0.6
534.41406	0.4
534.48792	4.2
535.48743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05517	9.5
56.04800	0.6
56.05045	5.6
57.07091	3.8
60.04519	3.3
60.04791	0.6
65.03936	1.9
67.05509	16.9
68.05025	1.6
69.07066	10.7
69.36144	1.7
69.36539	4.1
70.06579	2.8
71.08636	2.5
79.05501	12.5
80.05029	5.0
81.05805	1.9
81.07063	14.4
82.06585	8.4
83.08618	5.6
85.10162	1.1
91.05490	12.0
93.05735	0.8
93.07047	12.0
94.06573	23.3
95.04946	1.9
95.07347	9.9
95.08611	10.1
96.08134	4.7
97.06508	1.2
97.10183	3.8
98.22655	1.4
98.23297	1.2
105.07043	6.6
107.08596	7.0
108.08125	3.6
109.10160	3.8
117.06994	0.8
119.08581	7.2
121.08912	0.9
121.10130	7.0
122.09670	2.4
123.11714	1.7
124.11218	1.0
133.10159	4.0
135.10646	0.8
135.11694	4.1
137.11525	0.7
137.13255	1.3
145.48662	0.7
147.11667	2.1
149.13234	1.0
161.13286	1.0
176.99217	0.8
195.00287	1.4
233.22606	4.8
245.22563	4.0
250.25319	11.5
254.24867	0.9
262.25314	100.0
263.25797	3.8
272.25827	4.9
280.26334	9.8
392.11850	0.7
405.14444	0.7
420.11646	0.9
504.47650	2.1
516.47723	5.4
534.49011	3.2
535.29773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05514	7.7
56.05038	4.5
57.07078	3.9
57.29474	0.5
58.06603	1.1
60.04530	3.1
65.03939	0.9
67.04252	0.6
67.05507	13.2
68.05035	1.1
69.07069	9.5
70.06586	1.4
70.80737	1.0
71.08636	2.3
78.17429	0.5
79.05497	11.4
80.05002	3.2
80.45028	0.5
81.05789	1.7
81.07060	13.1
82.06580	8.0
83.08611	4.0
85.10177	0.8
91.05483	10.7
93.05779	0.7
93.07047	9.4
93.13615	0.4
94.06570	20.2
95.04963	1.3
95.07353	11.1
95.08614	8.8
96.01008	0.4
96.08141	5.5
97.06570	0.9
97.10182	2.9
105.04459	0.6
105.07038	6.5
107.07375	0.6
107.08602	6.4
108.08133	3.2
108.08739	0.6
109.10158	2.9
111.08010	0.4
111.11695	0.7
116.23004	0.4
119.08587	6.2
121.08827	0.8
121.10137	6.1
122.09669	2.7
123.11711	1.5
124.11232	0.6
133.10118	4.3
135.10577	0.9
135.11694	3.3
136.02695	0.5
136.11200	0.7
137.13312	1.1
147.11684	1.2
149.13269	1.2
151.14839	0.6
161.13277	1.5
163.14862	0.8
177.16328	0.5
184.93811	0.5
191.17981	0.6
193.19476	0.6
197.74461	0.6
219.21072	0.6
233.22621	4.0
234.22258	0.9
245.22670	3.9
250.25313	10.8
254.24750	0.9
260.23911	0.7
262.25305	100.0
263.25766	4.4
272.25833	5.0
280.23468	0.8
280.26349	10.0
281.26816	0.5
364.33231	0.4
504.47717	2.8
510.63110	0.6
516.47821	5.9
534.48785	3.6
535.30621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05505	8.8
56.05032	7.6
57.07078	4.9
60.04517	3.9
67.05505	15.8
69.07072	13.2
70.11553	4.8
71.08631	3.3
79.05480	13.5
80.05015	2.3
81.05817	2.5
81.07051	15.1
82.06593	9.0
83.08620	6.2
85.10198	1.8
91.05482	13.3
93.07054	10.9
94.06573	20.1
95.07359	10.9
95.07883	1.2
95.08078	1.3
95.08601	10.8
96.08144	4.6
97.10166	4.6
105.07021	7.7
107.08610	6.8
108.08122	4.3
109.10183	3.6
113.58821	1.5
119.08566	7.6
119.21944	1.4
121.08871	2.2
121.10167	7.1
122.09682	3.1
133.10138	6.9
135.11752	2.5
177.16269	1.6
233.22548	3.7
245.22751	5.1
250.25287	11.1
256.26245	1.5
262.25296	100.0
263.25653	4.1
272.25864	5.0
280.26300	14.0
351.56110	1.8
516.47675	4.8
534.48773	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	535.1447
Annotation	6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
55.01879	9.6
61.02924	4.9
65.03940	3.2
69.86343	4.7
70.06615	2.4
73.82524	2.3
81.07050	2.0
82.77417	1.8
86.09710	3.6
91.05486	4.3
93.03414	2.8
107.04945	3.6
111.04434	2.9
117.46452	2.0
119.04950	14.6
121.02865	49.7
121.03705	3.6
122.03215	2.3
129.86295	1.8
135.04393	2.6
145.02849	10.9
147.04451	2.2
157.88530	1.8
159.04402	2.6
164.75194	2.0
171.04480	2.3
175.03922	2.6
177.01892	4.3
179.03455	2.5
187.04022	5.1
189.01826	14.1
189.05447	2.3
191.03387	7.5
195.02846	8.9
199.03934	5.4
203.03416	20.0
205.05040	3.9
207.02911	7.5
213.05421	2.6
215.03326	15.0
217.05017	7.8
219.02946	5.9
221.04448	4.1
227.03456	4.0
233.04469	5.3
243.02945	7.9
245.04460	2.9
257.04327	2.2
267.06439	4.6
268.07233	3.8
271.06134	1.8
273.03909	2.1
277.08560	2.0
279.06613	5.2
280.07248	4.0
281.04453	2.0
281.07971	3.3
283.06046	7.6
291.06732	2.1
292.07251	4.2
293.08060	7.1
294.05304	18.1
294.08572	3.4
295.06000	73.4
296.06668	9.6
297.07657	8.3
305.08136	4.9
307.05991	58.1
307.09241	2.5
308.06659	22.2
309.07468	23.2
313.07098	3.9
317.07990	6.1
319.06027	8.8
320.06784	11.3
321.07538	48.8
322.04749	2.8
322.08191	9.1
323.05649	3.4
323.09152	6.6
325.07050	54.2
326.07413	2.8
329.08084	5.7
331.06122	2.9
333.07532	31.0
334.08292	8.6
335.05414	3.5
335.09006	16.6
336.06232	2.3
337.07040	57.2
339.08557	7.3
345.07565	20.4
347.09134	8.2
349.07022	43.2
350.07526	5.3
351.08563	26.1
355.08185	5.8
356.27811	2.0
359.09274	3.8
361.06961	28.5
362.07474	5.2
363.08591	27.8
364.08878	2.2
367.08084	13.1
371.09174	2.2
373.06943	15.1
375.08640	18.5
379.08115	78.0
380.08429	5.7
385.09329	2.9
387.08652	8.2
389.10080	5.8
391.08075	64.5
392.08340	3.2
393.09433	5.6
397.09146	47.8
398.09967	2.2
399.08716	3.5
403.08157	10.6
405.09735	6.5
409.09152	68.3
410.09387	6.6
415.08572	8.3
417.09570	7.9
421.09067	6.7
427.10254	40.0
433.09225	27.1
439.10098	2.7
445.09473	19.3
446.10095	2.2
451.10257	28.1
463.10138	27.3
469.11237	36.3
481.11328	100.0
482.11502	6.8
499.12308	65.5
500.12634	4.4
517.13269	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01875	9.7
56.05014	1.9
56.37880	1.0
57.03450	1.2
61.02941	5.7
65.03953	1.7
68.99792	1.4
69.03427	1.8
69.32880	7.2
70.06595	8.7
72.08154	4.6
73.02934	1.9
75.45700	1.1
79.05490	1.4
81.03406	1.3
84.04493	3.2
84.08142	4.3
85.02869	1.7
86.09698	10.5
86.74245	1.2
89.14552	1.1
91.05462	2.7
93.03376	2.0
95.04980	4.0
97.02872	3.7
102.05552	3.8
107.04983	2.9
109.02857	1.7
110.07217	1.1
119.04942	14.9
120.08081	2.9
121.02865	60.9
127.03991	1.1
129.10233	2.5
133.02855	1.6
135.04404	2.0
137.05833	1.3
145.02843	10.2
146.06345	1.8
146.61130	1.2
147.04405	2.8
149.06032	1.8
155.04997	1.4
159.04387	3.5
159.09103	1.8
163.03912	4.0
171.04402	2.1
173.02237	1.4
173.06018	1.5
175.03917	3.3
177.01807	5.9
177.05466	1.5
179.03436	3.8
187.03928	4.4
189.01823	11.5
189.05490	1.9
190.02544	2.3
191.03352	5.7
195.02838	8.2
199.03911	4.5
201.05479	2.5
203.03400	22.3
204.03683	1.7
205.04973	3.9
207.02911	8.6
209.04494	1.7
211.03978	2.2
213.05452	3.0
215.03383	13.9
216.03932	1.4
217.04988	6.7
219.02927	4.6
221.04410	5.4
227.03375	5.1
227.06839	1.6
229.04973	4.0
231.02769	2.7
233.04408	5.5
241.05005	2.7
242.50372	1.3
243.02908	5.3
245.04514	4.2
253.04993	3.2
255.02849	1.3
255.06462	1.6
257.04468	2.4
261.03857	1.9
267.06570	4.1
268.07382	4.5
269.04416	1.9
271.05984	2.3
273.03928	2.6
279.06418	6.5
280.07190	3.3
281.04822	2.4
281.08078	6.8
283.05887	5.8
284.06647	2.5
289.08594	2.1
291.06458	3.0
292.07263	3.6
293.08069	8.3
294.05182	17.6
295.06003	74.5
296.06619	10.6
297.07510	8.6
303.10110	1.7
305.08267	5.9
306.08743	3.8
307.05991	64.0
307.09589	3.5
308.06689	23.0
309.03998	2.2
309.07495	23.5
309.10867	1.9
310.08234	2.1
313.07065	4.6
317.08008	7.1
318.08878	1.6
318.50836	1.3
319.06049	8.6
320.06763	14.4
321.07529	65.0
322.04666	2.5
322.08109	11.3
323.05695	2.8
323.09085	9.9
325.07037	62.8
326.07397	3.5
329.07965	6.8
331.05948	3.7
333.07556	42.9
334.08228	7.7
335.05487	3.2
335.09094	28.2
336.06219	4.7
337.07034	59.0
337.10132	1.6
338.07553	4.3
339.08517	6.2
343.09525	1.6
345.07562	24.2
347.09070	8.1
348.06104	1.9
349.07028	57.8
349.10449	2.2
350.07605	4.7
351.04544	2.5
351.08585	29.9
352.08932	2.0
355.08188	5.2
357.07733	1.9
359.08957	6.0
361.07013	36.8
361.10794	2.2
362.07791	4.0
363.03931	1.9
363.08597	39.3
367.08118	15.5
371.09311	2.8
373.07043	22.9
374.07449	1.4
374.28900	1.9
375.08606	17.3
377.10254	3.6
379.08090	91.1
380.08334	6.4
381.09711	2.0
385.08759	2.0
386.07855	1.4
387.08737	10.7
389.10382	5.7
391.08081	76.5
392.08505	4.2
393.09653	5.2
397.09171	54.1
398.09494	3.8
399.08682	6.3
403.08017	13.9
405.09695	11.5
409.09137	83.4
410.09430	6.0
415.08170	10.2
417.09641	9.3
421.09204	10.0
427.10321	51.3
428.10425	3.0
433.09192	31.2
434.09576	3.4
435.10913	1.7
439.10016	2.8
445.09686	22.7
446.09448	1.5
451.10199	44.0
452.10565	3.6
463.10236	31.3
464.10654	2.1
469.11288	64.8
470.11310	4.6
481.11279	100.0
482.11578	9.5
499.12329	72.0
500.12885	7.1
517.13519	19.2
535.14301	5.1
536.34149	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.8
55.05510	1.1
56.05018	2.6
56.93525	1.1
61.02929	2.4
65.03940	2.0
69.03429	3.1
69.07039	1.0
69.15768	2.7
69.16176	4.9
70.06594	26.0
72.08154	18.3
73.02897	1.2
74.06100	1.5
79.05492	2.1
81.03400	2.3
84.04520	4.8
84.08132	8.0
85.02908	3.7
86.09703	11.4
91.05489	3.2
93.03373	1.4
93.07068	1.5
95.04990	2.8
95.06029	1.1
97.02906	3.1
98.06070	1.2
98.09737	0.9
101.07172	1.5
102.05601	1.1
103.05463	2.1
104.05382	0.9
105.07040	1.8
106.93435	1.1
107.04961	3.0
109.02862	1.9
110.07183	3.8
111.04465	1.5
112.08748	2.4
115.05461	1.0
115.08707	2.3
116.07089	1.2
119.04935	10.9
120.08106	18.6
120.08907	1.4
121.02863	45.2
121.06474	1.7
121.08415	1.5
122.03244	1.2
127.03905	1.4
129.06641	1.2
129.10254	5.4
131.04921	3.5
135.04433	2.2
141.10294	1.1
145.02800	5.7
147.04411	3.0
147.11386	1.0
154.03668	0.9
158.71942	1.0
159.04413	3.2
161.02386	1.9
163.03932	2.4
165.01868	1.3
171.04420	1.3
175.03923	3.0
177.01851	3.4
177.05481	2.3
179.03398	2.1
179.04828	1.6
185.05943	1.9
187.03899	2.4
189.01797	8.3
189.05496	2.4
190.02548	1.1
190.05769	1.2
191.03465	6.3
194.02097	1.4
195.02859	5.7
197.06023	1.4
197.12929	1.2
199.03912	2.7
201.01756	1.4
201.05528	2.0
203.03406	19.3
205.04962	2.4
207.02933	7.8
211.15559	1.2
213.05505	2.7
215.03400	9.0
215.66293	1.0
217.04971	6.3
219.02863	4.8
221.04488	5.3
227.03421	3.2
229.05005	2.3
231.02971	2.9
233.04439	3.9
241.05067	3.7
242.03072	1.0
243.02994	4.2
245.04538	2.7
245.12788	1.3
253.04926	1.7
253.65245	1.1
255.02982	1.6
257.04440	1.4
261.03986	1.5
263.07190	1.2
267.06558	2.0
268.07306	3.7
269.04501	1.9
273.03986	2.0
279.06537	4.3
280.07217	1.6
281.08176	4.0
283.06082	4.8
284.06830	2.4
287.15060	3.0
289.08539	1.7
291.06549	2.1
292.07285	3.2
293.08105	4.1
294.05225	17.1
294.08475	2.0
295.05991	61.3
296.06525	6.3
297.07419	5.3
299.05981	3.8
303.06635	1.3
305.08029	3.4
306.08868	2.5
307.06006	48.1
307.09048	2.0
308.06677	17.5
308.09579	1.5
309.03989	2.2
309.07507	20.9
310.08102	1.4
313.07053	3.2
317.08017	6.0
318.08664	1.4
319.06171	7.5
319.09616	2.1
320.06708	9.3
321.07547	44.1
322.04910	1.6
322.08218	6.7
323.05371	2.5
323.09149	7.7
325.07056	43.1
326.07526	2.5
329.08069	4.4
330.08292	1.2
331.06259	1.9
333.07574	30.0
334.08292	6.5
335.05475	1.8
335.09042	14.9
336.06290	3.1
337.02902	2.1
337.07016	41.5
338.07486	3.6
339.08606	4.2
343.09995	1.4
345.07602	19.3
346.08322	2.4
347.05609	1.2
347.09235	6.9
348.06198	1.9
349.07034	44.1
350.07483	3.7
351.08591	20.2
355.08032	4.5
359.09164	4.2
361.06995	27.7
362.07617	2.4
363.08658	22.4
364.09000	1.6
367.08060	10.2
368.08878	1.2
371.09140	2.0
373.07050	15.0
373.27338	1.3
374.07550	1.8
375.08649	13.1
377.10269	3.7
379.08105	72.1
380.08359	6.0
385.09225	1.5
387.08615	10.6
389.10263	3.4
391.08096	49.6
392.08456	3.2
393.09586	5.1
397.09161	43.1
398.09470	2.5
399.08444	5.7
403.07980	10.1
405.09665	6.5
409.09152	58.2
410.09430	4.0
415.08142	12.8
417.09647	9.4
421.09171	5.0
421.25735	1.7
427.10242	36.2
428.10410	2.9
433.09149	28.8
434.09207	2.0
439.10165	2.3
445.09384	19.8
446.10339	1.5
451.10254	27.4
452.10553	2.6
463.10239	30.6
464.10364	1.5
469.11298	31.2
470.11481	2.5
481.11279	100.0
482.11566	6.6
499.12329	61.6
500.12656	3.8
517.13422	16.8
518.13751	1.2
534.34027	11.1
535.22107	2.2
535.34625	9.4
536.34100	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57571	0.3
53.98587	0.3
55.05511	0.4
60.38404	0.4
67.05508	0.5
69.51846	0.8
69.52236	0.8
73.04749	0.8
76.02314	0.3
79.05489	0.4
80.02625	0.3
81.07054	0.8
88.21042	0.3
88.75661	0.3
90.15884	0.3
91.05779	1.6
95.08586	0.7
98.23320	0.7
101.07150	0.4
111.15868	0.4
149.04446	0.5
154.71173	0.4
161.13042	0.3
167.05516	1.9
185.04135	0.4
225.04298	0.4
238.21436	0.4
266.99982	0.9
299.06195	4.8
337.27167	0.5
344.97632	0.9
359.02905	0.7
373.22391	0.3
390.95279	0.3
415.03711	0.6
535.28748	100.0
536.29034	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	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
64.44617	0.3
69.77412	0.7
69.77797	0.6
73.04754	1.0
78.03618	0.3
81.96037	0.3
85.44241	0.4
91.05807	1.1
95.08578	0.3
98.93832	0.3
107.08581	0.3
138.16057	0.3
160.36552	0.4
167.05579	1.4
185.04077	0.4
203.05360	0.8
253.90141	0.5
259.08115	0.6
267.00024	0.4
282.00058	0.3
283.03171	0.4
299.06189	3.0
344.97473	0.5
403.37195	0.4
535.28766	100.0
536.21820	0.6
536.29144	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	535.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.07069	2.2
65.03907	0.9
67.05492	1.6
69.03478	2.9
69.03896	7.1
69.07036	1.5
69.54685	1.1
71.08633	1.3
73.04754	1.1
79.05501	1.4
81.07065	2.9
81.20637	0.9
91.05807	1.1
95.08624	3.3
97.34692	1.0
98.23377	1.8
107.08601	1.4
123.89572	1.1
167.05602	1.5
183.11122	1.1
197.08205	1.0
215.14571	1.1
223.13020	5.8
225.13759	1.2
279.15674	3.9
299.06161	3.0
313.27313	1.9
358.35574	1.3
501.04385	1.0
535.39642	100.0
536.39868	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	536.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
56.05027	1.4
57.03426	1.2
61.02929	1.4
62.04787	0.5
63.23887	0.4
65.53773	0.4
69.03423	3.1
69.07061	0.6
69.42745	2.5
70.06594	13.7
71.06985	0.5
72.08149	1.5
73.04745	1.7
74.06065	0.5
74.58282	0.5
78.04679	0.5
78.58730	0.4
81.03426	1.1
83.01330	0.5
84.04494	1.3
84.08147	15.1
85.02906	14.1
86.09714	3.6
89.03920	5.6
91.03939	0.7
91.05801	1.2
96.60435	0.4
97.02902	4.1
98.22649	0.5
99.04456	0.6
102.05532	0.9
106.04160	0.6
107.04976	0.6
109.02866	1.3
110.07169	1.0
112.08696	0.8
115.08661	0.5
115.59892	0.5
116.07079	0.6
117.03378	16.2
120.08091	1.6
127.03916	3.1
129.10234	3.3
134.03633	1.5
135.04401	1.8
136.07594	0.7
138.05284	0.8
145.02846	48.1
145.04944	4.9
146.03177	1.3
149.04616	0.9
149.05980	7.5
152.08200	0.6
153.05481	0.6
155.08138	0.5
162.03088	1.0
163.03935	3.8
163.06047	1.7
167.05566	1.6
177.05467	100.0
178.05785	3.7
179.03268	0.5
180.08797	0.6
183.15012	1.0
195.06523	54.6
196.06885	1.2
197.10326	0.8
210.71870	0.5
266.11429	0.6
283.03250	0.7
296.12094	0.8
298.10193	0.7
299.06137	3.7
344.97656	0.7
377.14191	0.6
395.15256	0.8
415.03479	0.9
439.17957	0.7
472.24228	0.8
492.20297	0.7
518.21783	0.7
536.23010	10.0
536.29828	2.9
536.79474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52851	1.2
53.03933	1.6
55.01864	3.0
55.05492	1.9
56.05028	3.6
56.11082	1.2
57.03425	5.1
57.05769	1.3
58.12940	1.2
60.04525	4.6
61.02924	9.9
69.03427	18.8
69.07059	2.2
69.25491	8.9
70.06590	54.9
71.04977	2.9
71.06908	5.0
72.08153	20.2
73.02924	5.3
73.04754	4.3
74.06077	3.0
76.15227	1.2
81.03391	7.4
84.04523	8.1
84.08136	23.0
85.02901	100.0
86.09700	20.7
87.04468	3.3
87.05582	1.4
89.03917	4.3
91.03967	6.2
91.05782	5.4
91.61869	1.3
96.08150	1.6
97.02881	27.4
98.23386	3.1
99.04455	4.1
100.10567	1.2
101.07179	1.6
102.05572	1.7
105.37048	1.2
109.02882	7.7
110.07154	5.8
115.03928	1.6
116.07119	3.2
117.03391	12.5
120.08083	14.1
127.03915	26.7
129.10233	20.7
130.05014	3.6
130.10577	1.7
135.04395	2.2
136.07559	5.0
144.06599	2.0
145.02847	37.2
145.04942	40.4
146.03041	1.6
147.07652	4.5
149.04605	1.8
149.05968	7.3
155.08093	2.0
163.03868	3.5
163.06006	17.0
167.05574	9.9
177.05461	83.0
178.05898	3.3
187.07262	1.5
189.12349	1.9
195.06512	56.8
201.12346	1.8
204.09793	1.7
205.10062	1.5
207.11311	1.6
217.11842	4.0
225.04262	2.9
267.00000	2.6
283.02853	2.6
299.06155	13.0
300.06448	1.4
301.14990	6.1
302.15323	5.8
344.97595	4.0
374.28967	3.3
415.03656	3.0
536.33051	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	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01869	2.2
55.05519	1.3
56.05023	2.8
57.03441	4.7
58.06610	0.8
60.04509	1.8
61.02927	7.4
69.03428	14.5
69.07060	1.5
69.18652	3.5
70.06593	32.1
71.04976	2.1
71.06920	2.1
72.08158	8.9
73.02907	2.6
73.04755	3.1
74.06079	1.5
81.03419	5.9
84.04498	3.7
84.08145	18.8
84.65964	0.6
85.02908	84.6
85.08449	0.9
86.03226	0.9
86.09711	13.0
87.04447	1.7
87.05588	1.6
88.03986	0.9
89.03919	4.7
91.03980	4.2
91.05876	3.4
91.60320	0.7
95.04966	0.7
95.06069	0.8
97.02895	23.7
98.06042	1.2
98.23370	1.3
99.04485	3.9
100.85529	0.9
101.02354	0.7
101.07143	1.7
102.05539	2.1
103.05471	1.1
109.02885	6.4
110.07167	5.2
112.08718	1.6
113.07096	1.0
114.05473	0.8
114.09151	0.8
116.07054	1.2
117.03387	13.7
120.08112	12.6
121.08434	1.5
126.05519	1.2
127.03917	22.2
127.08659	1.8
128.10696	1.1
129.10254	10.0
130.04939	1.5
130.08633	1.3
130.10616	0.8
134.03629	1.6
135.04462	1.1
136.07565	3.5
141.10245	0.8
144.06555	2.8
144.10278	1.0
145.02859	39.7
145.04945	33.4
145.06125	1.2
145.06660	0.8
146.03224	0.8
146.05281	0.7
147.04422	0.8
147.07669	2.1
147.11324	0.9
149.04604	1.4
149.05968	7.4
149.10139	0.9
155.08138	0.9
162.07600	1.6
163.03894	3.5
163.05998	11.4
166.08592	0.9
167.05582	5.9
173.09253	1.7
174.59708	0.6
177.05472	100.0
178.05827	3.0
195.06528	54.3
196.06879	1.3
197.87575	0.9
209.10373	1.1
225.04286	1.2
239.09532	1.0
260.19547	1.2
266.99857	1.1
283.03043	1.9
299.06177	11.0
300.06116	0.8
301.14996	3.1
302.15430	2.0
324.12830	0.8
324.91022	0.7
339.10693	2.9
344.97607	2.6
359.02859	0.8
375.24411	0.8
415.03635	2.2
492.28876	0.7
494.13919	0.8
535.31409	0.7
535.80487	0.7
536.29675	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	536.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	0.5
55.05504	1.4
56.05041	4.1
57.03430	1.5
57.50231	0.4
58.06593	1.5
60.04539	0.8
61.38798	0.5
67.05505	2.7
69.03430	3.0
69.06735	0.6
69.07053	2.7
70.06599	5.2
70.44566	0.6
70.44882	0.9
71.04992	1.9
72.08157	71.9
73.04760	3.3
73.08488	1.5
74.02440	1.0
74.05712	0.6
74.06083	5.0
79.05494	2.2
81.03431	1.9
81.07058	3.1
82.06560	0.7
83.05003	0.7
83.08633	1.3
84.04498	0.7
84.08144	4.3
85.02908	5.6
86.09707	94.0
87.04475	0.8
87.05594	3.0
87.10038	1.1
88.07631	0.5
91.05810	2.5
93.07046	4.2
95.04971	2.1
95.08616	2.9
97.02887	3.0
97.06546	1.1
98.06042	1.2
99.04464	2.3
102.09171	2.6
103.03974	2.7
103.05456	4.2
105.07008	0.8
107.04887	0.6
107.08585	1.4
109.02880	1.4
109.10170	2.0
110.09607	0.6
111.04498	0.7
111.08058	0.7
112.11263	0.6
116.03436	0.6
116.07099	1.1
117.07113	0.5
120.08105	100.0
121.08429	2.2
121.10148	0.8
123.08035	0.5
124.11215	2.4
126.05531	6.7
126.12860	0.6
127.03910	4.4
127.11222	1.2
129.10257	1.5
130.78555	0.5
133.06085	12.5
135.11714	1.6
136.07590	0.6
139.12489	0.5
140.10782	0.5
141.13863	0.5
144.06516	0.8
145.03020	0.5
145.04968	2.2
145.10138	0.5
149.04478	1.3
157.10057	0.6
163.03951	0.9
163.05997	1.4
163.07268	0.6
167.05501	3.7
171.11169	0.6
177.05504	0.6
183.14912	0.7
187.05908	0.6
187.14510	0.8
195.11334	1.9
205.09769	0.5
207.79579	0.6
211.14493	2.8
211.16112	0.4
215.14058	0.6
221.12903	0.6
225.04305	0.9
226.57849	0.5
233.16490	5.4
239.13898	30.5
240.13980	0.8
257.14957	13.9
261.15918	4.8
262.11844	0.5
263.10269	5.1
266.99817	1.3
280.12915	15.3
283.03052	1.2
293.21005	0.9
299.06192	7.9
338.26880	2.2
344.97531	1.5
356.27927	8.3
374.28995	26.1
375.29297	0.9
376.18549	0.8
376.22601	1.0
392.84265	0.5
393.21609	0.7
404.21866	2.1
415.03702	1.0
432.52451	0.6
474.23026	0.8
500.32144	0.5
518.33209	7.8
536.34210	41.3
537.22845	1.2
537.35028	2.3
552.37628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.9
56.05029	4.1
57.03436	0.4
62.49864	0.4
67.05503	1.1
69.03429	0.7
69.07069	3.7
70.06588	6.5
71.29528	0.5
72.04074	0.4
72.08155	18.4
73.04768	1.2
74.06073	0.9
81.03427	0.4
81.07053	0.6
82.06578	0.4
83.06104	0.6
84.04505	12.8
84.08141	100.0
85.02906	1.6
85.08483	1.5
86.09702	29.5
93.07051	0.4
95.04967	0.6
96.08126	0.8
97.02917	0.6
97.06518	0.4
101.10773	2.8
102.05541	5.4
102.09193	0.6
104.05368	0.4
110.07168	1.3
111.09210	1.0
112.07635	0.8
113.07155	0.8
114.09164	1.5
115.08659	0.5
120.08108	10.2
121.08482	0.4
123.30184	0.4
124.11239	0.4
127.03895	0.5
129.06604	6.2
129.10236	89.1
130.05005	0.6
130.08626	1.7
130.10583	1.3
136.07593	0.9
137.25206	0.3
139.08734	0.4
141.06569	1.3
144.10173	0.5
145.02811	0.6
147.11252	2.6
149.04521	0.5
152.10692	0.7
163.03929	0.8
166.08612	1.2
167.05565	2.0
170.11781	2.4
177.05391	0.7
185.78079	0.4
186.30479	0.4
187.44867	0.3
197.12837	3.6
197.16518	0.7
198.08749	0.9
214.12138	0.4
215.13910	8.1
223.10912	0.4
225.04301	0.4
225.12256	0.5
229.15421	0.8
231.14949	0.5
242.14946	0.4
242.18639	2.2
243.13310	1.8
260.12881	0.4
269.15897	0.4
276.17172	0.5
277.12643	0.5
277.15393	2.8
283.03058	0.4
287.17151	0.7
294.18100	20.8
295.18356	0.7
299.06143	2.9
300.06332	0.4
344.97586	0.9
353.21722	1.4
356.27969	0.9
371.23138	1.9
374.29013	2.1
389.23865	0.6
407.26550	2.0
436.07608	0.5
500.28320	1.0
518.29578	12.1
519.29565	1.5
536.30420	10.5
537.30402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
55.48825	0.4
56.05035	1.7
57.03447	1.0
58.06605	1.7
60.08172	16.1
67.05521	1.0
69.07072	1.1
69.98739	1.0
69.99064	0.5
71.07382	5.6
73.04766	3.7
81.07069	1.1
86.09717	42.8
87.10063	0.7
91.05806	6.3
95.08656	0.7
98.98492	3.6
102.68665	0.4
104.10757	100.0
105.11079	1.0
107.08544	0.6
125.00018	23.9
125.70943	0.5
149.04514	1.5
167.05577	7.7
181.02684	0.5
184.07367	60.5
185.07726	0.8
221.08472	0.5
225.04359	1.6
239.09529	1.4
258.11075	1.4
267.00043	1.6
271.23935	0.4
281.05142	0.8
283.02988	2.6
299.06213	15.0
300.06332	1.5
318.99872	0.4
344.97626	2.4
345.97803	0.7
359.02936	1.9
415.03674	2.0
416.03952	0.6
497.44821	0.4
503.10812	0.7
518.32416	6.2
536.33508	26.7
537.34003	1.7
564.78009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15789	0.4
53.03943	1.1
55.01873	1.3
55.05506	1.2
56.05022	1.1
57.03432	3.2
58.06600	1.6
61.02930	3.3
65.03928	0.7
67.05498	4.3
68.55888	0.5
69.03432	9.4
69.07068	1.2
70.06586	4.8
70.56313	0.9
71.01347	0.5
71.04993	2.6
72.08157	52.5
73.02914	2.0
73.04756	1.6
73.08513	0.5
79.05494	2.5
81.03417	3.2
81.07065	5.5
83.04961	0.5
83.08598	0.5
84.04493	1.3
84.08153	4.6
85.02908	15.0
85.06544	0.8
86.09711	5.0
87.04483	1.4
91.03979	0.6
91.05444	0.8
93.07059	2.9
95.04970	100.0
95.08607	3.5
96.05287	1.8
96.08115	0.5
97.02897	5.4
97.06528	1.2
98.09692	1.1
99.04461	1.7
100.11295	0.6
102.09184	14.9
103.03968	0.6
105.07037	1.7
107.08600	1.1
109.02886	2.2
109.06517	1.0
109.10188	0.7
110.09724	0.5
111.04466	0.7
119.08589	1.6
120.08108	3.0
121.02883	1.1
121.06549	0.8
121.10150	1.6
122.09670	3.9
123.08034	0.7
123.10450	1.4
123.11773	0.5
124.11255	0.8
127.03913	3.8
129.06581	0.6
129.10248	2.0
131.08574	0.6
133.10139	0.6
135.11655	0.5
136.07614	1.4
140.10719	1.6
143.39282	0.4
145.04979	1.1
147.11700	1.1
167.05585	1.4
202.02263	0.5
211.16901	0.5
232.79265	0.4
235.16933	0.4
275.20187	1.9
283.02945	0.5
283.50186	0.7
284.06662	0.5
293.21112	2.0
295.05817	1.0
296.06412	1.7
299.06003	2.8
307.06152	0.7
308.06476	1.7
309.07504	0.5
310.07977	0.7
311.22220	0.7
320.25653	1.1
322.07968	0.9
326.07483	1.2
334.07919	0.8
336.09760	0.8
338.07358	1.1
338.26926	5.6
344.97742	0.7
346.08026	0.6
349.06778	0.6
350.07501	2.0
352.08890	0.9
356.27948	22.7
357.28186	1.3
362.07401	0.8
364.09171	0.8
374.07532	0.5
374.29004	23.2
375.29449	1.1
376.09265	0.5
379.07840	0.6
380.08643	2.0
392.08432	1.7
397.09140	0.5
398.09665	1.4
404.08725	0.6
410.09412	2.7
428.10666	1.6
434.09723	0.6
446.09689	0.7
452.10748	0.8
470.11511	1.2
482.11938	3.0
483.89725	0.5
500.12582	2.4
500.32574	1.1
518.33246	16.6
519.33521	1.2
536.34332	93.9
537.34845	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	536.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01868	0.6
55.05505	1.2
56.05031	1.0
57.03440	2.0
57.05810	0.5
58.06601	0.7
59.05004	0.3
61.02925	1.1
67.05501	2.3
69.03434	3.3
69.07061	2.7
69.32297	0.6
69.32706	1.5
70.06587	3.5
71.04987	1.9
72.08157	100.0
73.02922	0.6
73.04757	1.0
73.08506	1.0
74.06068	0.8
79.05479	1.8
81.03413	1.0
81.07067	2.5
83.04990	0.7
83.08627	1.1
84.08144	2.3
85.02917	3.4
86.09709	7.2
87.04475	0.8
87.10044	0.7
88.07646	0.6
91.05428	0.7
91.05887	0.5
93.07056	3.1
95.08613	2.9
97.02925	1.8
97.06540	1.3
98.09715	0.5
99.04455	0.9
100.07647	0.6
101.07158	0.8
102.09211	0.6
102.74151	0.4
105.07040	0.8
106.55341	0.4
107.08617	1.5
109.02853	0.6
109.10181	1.0
110.07188	0.4
111.08097	0.6
119.08592	0.8
120.08089	4.4
121.10169	1.3
123.08061	0.4
123.11678	0.4
124.11228	2.7
127.03957	1.2
128.10703	0.4
128.56097	0.3
129.09337	0.3
129.10208	1.7
133.10136	1.0
135.08046	0.5
135.11684	1.6
136.07556	0.8
137.09563	0.5
145.10165	0.4
147.11700	0.5
153.12822	0.8
159.04430	0.9
167.05597	1.7
171.11368	0.4
179.66815	0.4
187.14410	2.2
199.18169	0.3
205.09743	0.4
215.14029	0.8
217.14326	0.6
219.17744	0.4
235.16962	1.3
253.18033	0.6
272.16049	0.6
275.20142	1.1
283.02908	0.4
293.21155	1.0
299.06143	2.9
338.26965	3.2
344.97791	0.4
356.27945	14.2
357.28247	0.8
374.29010	47.9
375.29385	2.6
415.03720	0.8
469.82892	0.4
476.42444	0.3
518.33337	7.7
519.33582	0.9
536.34320	49.9
537.34711	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
60.08166	4.1
67.05508	8.4
69.07071	7.7
71.31251	8.0
72.37707	4.6
73.04762	29.6
79.05501	5.1
81.07050	10.4
83.08590	5.2
86.09694	7.4
91.05802	61.3
93.07030	5.5
95.08605	9.3
96.72270	3.8
105.07170	4.1
107.08578	6.3
109.10187	3.5
121.10169	7.8
124.99986	3.7
133.10048	4.0
135.11656	4.0
149.04514	11.2
167.05540	56.0
184.07408	14.4
185.07738	6.6
186.07791	4.6
218.39563	3.5
219.21089	9.1
225.04301	11.6
237.22142	24.6
239.09474	11.4
255.23174	4.1
260.50742	4.3
267.00003	16.0
281.05048	4.6
283.02927	18.8
299.06161	100.0
300.06293	17.0
311.25879	12.4
322.07877	3.6
338.91876	4.1
344.97595	22.3
345.97656	4.5
348.65616	3.7
359.03131	7.8
415.03583	15.2
503.11227	6.0
537.30298	51.9
564.59564	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	536.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48455	4.1
55.05516	13.6
57.07079	14.3
67.05496	21.9
69.07072	30.5
69.35751	34.4
73.04765	18.8
79.05493	12.1
81.07045	26.4
81.51602	5.2
83.08629	21.7
91.05821	49.3
93.07076	10.8
95.08600	30.6
97.10181	10.4
104.10769	9.4
105.07022	7.4
107.08576	8.5
109.10158	15.9
116.12780	4.8
118.04819	4.5
121.10146	18.4
123.11692	7.7
135.11720	11.2
149.04471	8.0
149.13272	6.1
154.67943	5.4
167.05550	58.8
184.07367	11.2
225.04314	12.8
239.09631	9.6
247.24298	17.5
265.25171	38.5
266.99902	11.1
283.02988	17.1
299.06168	100.0
300.06171	11.9
339.29019	28.3
344.97626	15.1
357.29883	6.7
359.02832	11.3
409.28796	5.3
415.03607	12.8
503.10736	6.2
536.33972	6.5
537.27985	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	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	35.9
56.84084	5.4
57.07071	18.6
60.08162	13.2
67.05508	43.4
67.62332	5.6
69.04144	54.7
69.07064	43.8
71.07377	9.4
71.08659	7.6
73.04766	29.1
79.05499	20.7
81.07057	39.7
83.08610	34.4
86.09714	57.7
91.05807	34.8
93.07049	26.3
95.08623	45.7
97.06529	6.6
97.10175	21.9
98.23389	14.2
104.10744	100.0
104.11403	7.9
107.08580	23.2
109.10172	26.0
111.11763	5.4
119.08615	7.9
121.10151	43.7
124.99992	33.3
125.09600	6.5
135.11679	24.1
149.04532	10.5
149.13286	18.4
163.14854	5.9
167.05542	49.7
184.07330	91.9
225.04274	9.3
239.09608	6.7
247.24158	45.8
265.25259	64.8
266.25482	7.9
266.99881	11.2
283.03113	12.4
283.26227	12.6
299.06140	84.3
300.06165	8.4
339.28903	75.1
340.29074	7.3
344.97681	27.2
357.29944	9.2
415.03723	9.1
518.35962	7.3
536.36871	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2307
Annotation	Pachyclavulide I
Peak:m/z	Relative Intensity
57.51042	0.3
60.41224	0.3
69.47760	1.3
69.48170	0.5
70.06584	0.6
72.08156	0.9
73.04759	1.3
79.05506	0.4
81.07050	0.5
84.08152	0.5
91.05846	2.3
93.07025	0.5
95.08607	0.5
105.07006	0.3
121.06510	0.3
123.08031	0.3
135.08051	0.6
139.08272	0.3
149.04485	0.4
159.11684	0.3
167.05550	2.0
168.05708	0.6
183.11584	0.3
185.04279	0.3
220.90657	0.3
235.16579	0.3
236.84702	0.3
239.09488	0.3
242.19710	0.3
243.00676	0.3
266.99976	0.4
268.00046	0.4
283.03049	0.5
285.09509	1.1
287.07422	0.8
299.06213	2.3
300.06335	3.1
301.05945	0.7
312.97900	0.3
329.08569	0.4
344.97778	0.5
345.97665	0.4
347.09454	1.9
376.28610	0.5
393.18808	6.5
394.19284	0.4
416.03622	0.5
420.49365	0.3
421.34915	0.3
435.19989	1.8
475.23041	14.0
476.23383	1.2
477.20993	7.7
478.21143	0.8
519.21930	1.0
537.23065	100.0
538.23419	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	537.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
65.16345	0.4
69.86086	1.7
70.06590	0.9
71.04990	0.4
72.08168	1.0
73.04758	1.6
74.04691	0.4
79.05474	0.6
81.83730	0.4
84.08134	0.8
84.83118	0.3
86.09711	0.8
91.05868	2.7
93.07059	0.5
95.08624	0.7
98.23347	0.4
105.07024	0.7
106.65196	0.4
107.08601	1.0
109.06547	0.5
109.10197	0.8
120.08106	0.5
121.10181	0.5
123.08058	1.8
131.08583	0.7
133.10100	0.9
135.08055	0.8
144.08307	0.4
167.05550	2.9
168.05673	0.7
173.13240	0.5
203.05235	0.6
225.04321	0.4
231.13591	0.7
266.99786	0.5
283.03088	0.7
284.03079	0.8
285.09454	3.1
287.07346	2.1
299.06131	4.0
300.06302	4.2
301.05875	0.6
329.08432	1.1
344.97668	0.6
345.97583	1.0
347.09512	5.7
393.18875	3.0
394.18750	0.6
416.03638	1.0
435.19992	1.2
475.22964	6.8
476.23383	0.5
477.21051	3.0
478.21494	0.4
519.21948	0.8
537.23041	100.0
538.23383	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90499	0.2
55.05504	0.4
56.81855	0.3
65.39202	0.3
67.05539	0.2
69.07053	0.3
69.25649	0.2
70.06581	0.8
70.44754	0.4
70.45104	0.3
71.04977	0.3
72.08154	9.5
73.04742	0.4
81.07061	0.4
84.08143	0.6
86.09689	1.8
91.05807	0.8
93.07056	0.6
95.04963	0.3
95.08617	0.4
96.71279	0.3
103.05419	0.4
105.07039	0.4
107.08584	0.4
109.10138	0.5
120.08089	3.8
121.10114	0.4
123.08054	1.5
124.11212	0.5
131.08551	0.6
133.10150	0.6
135.08076	0.5
136.07596	0.4
136.60774	0.2
141.07030	0.3
146.06018	0.3
167.05569	0.8
173.13303	0.5
175.62660	0.3
185.04211	0.8
188.10693	0.5
202.08681	0.3
203.05304	0.6
206.43170	0.3
213.12465	0.3
231.11357	0.6
231.13570	0.8
249.12389	0.8
251.10179	0.3
277.11920	0.5
279.09760	0.3
285.09439	3.6
287.07352	2.3
299.06174	0.8
300.06366	0.5
329.08447	1.1
347.09503	7.3
348.09567	0.3
358.27512	0.9
376.28317	1.0
393.18732	3.1
396.19174	1.0
399.61011	0.2
407.52994	0.3
416.03442	0.5
424.18903	1.9
435.19788	0.8
475.22931	7.0
475.75372	0.3
476.23370	0.9
477.20813	3.0
508.85727	0.3
519.22015	0.5
524.06714	0.3
537.23004	100.0
538.23328	9.7
538.33606	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	537.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
57.03436	1.4
67.05503	1.2
69.03419	0.6
69.07059	0.8
70.06577	2.8
70.64938	0.5
70.65260	1.1
70.89148	0.6
72.08147	3.1
73.04761	1.8
79.05494	1.3
81.03423	0.8
81.07046	1.3
82.94214	0.6
84.04494	0.7
84.08138	2.5
85.02910	1.3
85.06548	1.2
86.09718	3.6
91.05406	5.0
93.07053	2.0
95.08600	2.5
97.06542	1.4
100.07606	0.7
105.07034	1.4
106.67483	0.6
107.08599	1.0
109.06485	0.6
110.07185	0.8
111.08108	0.6
117.07011	4.0
119.08571	0.7
120.08111	1.8
120.89959	0.6
121.10132	1.1
122.09612	0.6
123.08067	0.7
124.11223	0.9
127.03967	0.7
127.40353	0.7
129.07024	1.3
131.08569	1.6
133.10106	0.8
141.06975	2.8
144.19926	0.7
149.04431	0.7
155.08688	0.8
157.10193	1.9
159.07857	0.6
159.26678	0.6
166.08731	0.8
167.05594	2.1
168.05556	0.8
171.66679	0.6
183.11650	1.3
185.04211	1.3
203.05284	1.3
225.04247	0.9
250.83035	0.6
257.06400	0.9
285.09454	8.4
285.12363	1.1
287.07281	5.6
299.06122	3.8
300.06155	2.8
301.05750	1.0
324.47244	0.7
329.08493	2.1
345.07922	0.6
345.97784	0.9
347.09476	56.4
348.09766	2.8
353.11456	0.7
358.27420	16.3
376.28394	10.1
393.18777	1.3
416.03894	1.0
475.22983	7.9
477.21640	0.6
537.23047	100.0
538.23364	10.0
538.33514	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	537.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07739	0.3
53.95305	0.3
56.05026	1.0
57.05797	0.4
68.15105	0.3
69.07069	6.1
70.56578	0.6
86.09708	28.1
91.05415	1.5
93.07044	2.4
95.04980	0.5
98.67201	0.3
103.05469	8.5
112.09955	0.4
120.08105	100.0
121.08439	2.4
128.06296	0.3
129.06987	0.4
131.04936	0.6
132.08089	0.7
135.40309	0.3
143.08488	0.5
145.06433	0.5
146.09564	0.5
153.06970	0.6
157.06496	0.6
158.07291	0.6
159.07921	0.7
160.11191	0.6
161.05875	0.3
162.09148	1.4
165.13907	0.4
166.08667	0.6
169.06519	0.5
171.08070	1.9
171.84081	0.3
174.09131	4.8
175.09932	4.5
176.10463	0.3
185.05994	2.2
185.08351	0.4
186.06697	0.4
186.09190	1.6
187.09827	1.6
188.07088	0.3
188.10706	9.6
189.05449	2.6
190.08577	1.4
197.05972	0.4
198.09212	0.6
200.10669	0.5
202.08623	8.3
203.11809	9.9
204.10187	4.8
204.12001	0.5
205.13464	1.5
213.05516	0.8
213.10255	1.3
214.08597	3.4
215.07175	0.3
215.11821	1.0
215.15472	0.5
217.13377	0.9
231.06500	3.9
231.11279	16.2
232.09650	6.5
232.11633	0.6
241.09624	0.4
242.08070	0.5
248.09175	7.1
249.12341	25.3
250.12640	1.5
259.10806	3.4
260.09167	4.0
261.09622	0.4
261.12262	0.7
262.53299	0.3
277.11838	14.2
278.12134	0.6
279.56058	0.3
287.09998	0.5
299.06265	0.4
300.06320	0.3
326.18625	0.4
327.16916	1.1
344.19681	1.5
350.18649	1.2
361.15442	0.5
378.18124	0.7
379.16757	0.6
390.20187	4.5
396.19165	28.8
397.19595	1.6
400.18683	0.7
406.17761	3.0
407.17889	0.3
408.19226	1.8
423.69659	0.4
424.18652	54.2
425.18951	4.8
434.17126	0.7
452.18448	0.3
493.28107	2.5
509.27640	0.6
519.26093	1.8
537.27100	30.9
538.27332	3.2
548.38550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96597	0.2
57.22311	0.2
61.88298	0.2
69.06158	1.5
73.04744	0.5
78.60464	0.2
81.03439	0.3
91.05790	1.3
91.70066	0.2
92.05771	0.3
113.00022	4.5
167.05569	1.2
168.05580	0.3
184.07375	0.3
185.04391	0.2
203.05263	0.9
259.07809	0.3
266.99969	0.3
269.08279	0.3
275.05307	1.5
283.03079	0.4
295.09708	0.3
299.06140	1.8
300.06241	1.5
301.06146	0.4
316.11768	0.2
325.10812	0.5
326.07892	0.4
345.97736	0.5
355.11856	1.0
357.09723	0.8
360.02905	0.3
375.25418	0.2
399.14331	1.5
416.03802	0.3
487.69482	0.2
537.30334	100.0
538.23401	0.4
538.30627	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	537.3031
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
58.04257	0.4
92.73038	0.4
114.77669	0.4
121.26991	0.4
128.89861	0.4
149.04834	0.4
154.97659	0.4
355.02582	0.4
537.30328	100.0
538.30652	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	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01851	1.1
55.05492	0.9
55.19828	0.5
56.05026	1.1
57.03410	1.5
60.04512	0.6
61.02921	0.8
67.05477	1.5
69.03434	3.5
69.07050	1.3
70.06592	7.2
71.04971	0.8
71.06903	0.7
71.29871	1.1
72.08158	33.7
73.02900	1.1
73.04719	0.6
73.08454	0.7
79.05475	2.3
81.03400	1.4
81.07040	2.3
83.04992	0.8
84.04497	2.3
84.08159	2.8
85.02910	8.0
86.09707	11.6
87.04472	0.7
87.10022	1.1
91.05440	4.3
93.07025	2.4
94.04163	1.9
94.06512	0.5
95.04952	1.2
95.08604	1.4
97.02896	2.8
98.97563	0.9
99.04432	0.8
103.03946	1.5
103.05444	2.0
105.03391	0.5
105.07039	5.2
107.04961	1.7
107.08575	0.6
109.02874	1.6
109.06507	1.6
109.10152	0.5
110.07159	1.1
110.09676	1.4
113.02345	1.9
115.05450	2.4
117.07017	2.3
119.04906	0.8
119.08588	2.4
120.08102	4.9
121.06510	2.4
122.03633	4.9
124.11244	0.5
127.03915	3.7
128.06210	0.9
129.06964	1.6
129.10274	1.8
131.04936	1.6
132.05696	1.7
133.06490	4.5
136.07588	1.6
137.05977	100.0
138.06305	2.5
138.09094	1.0
145.04956	2.3
145.06473	2.3
147.04456	2.6
147.08096	2.8
149.05971	5.3
151.07513	1.4
155.04901	0.9
159.08049	2.4
160.05247	1.1
161.05988	15.4
162.06721	2.7
162.90785	0.5
163.07524	1.1
166.08646	1.8
167.05565	1.1
172.05168	1.1
173.05968	1.4
175.07552	26.5
176.07913	1.3
177.09071	0.8
179.07065	1.1
182.08153	0.6
185.06056	0.6
185.09254	0.7
187.07520	6.3
189.06989	0.7
190.07811	0.6
191.08545	4.3
193.08582	4.4
199.07556	3.0
202.07718	1.1
203.08585	1.6
205.08528	3.4
207.08055	0.9
215.13968	1.1
217.08543	0.8
218.07306	1.6
219.08060	7.6
221.09851	0.7
231.08148	2.0
235.07675	1.0
236.08321	1.5
243.13422	1.1
244.13676	0.7
247.07564	4.0
248.08356	1.8
251.10684	10.0
252.11317	0.5
253.08746	0.6
259.07800	0.9
263.07217	1.3
263.10565	0.9
264.07928	1.2
265.08994	0.7
269.11786	0.6
277.08569	0.9
279.10147	8.9
280.10883	1.1
281.08234	2.0
291.10068	3.5
292.10788	0.7
296.10550	0.8
299.06375	0.7
300.06647	0.8
309.07574	1.3
309.11169	1.4
311.12753	22.8
312.13214	1.8
323.12805	7.6
324.13171	1.0
329.13867	3.5
340.28455	1.3
341.10364	1.2
341.13980	6.9
346.97708	0.7
358.29431	3.1
376.25531	1.0
376.30734	5.3
506.19086	0.8
520.34845	5.9
521.35913	0.6
538.30383	1.2
538.36084	22.4
539.36725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46968	5.7
56.05041	14.2
61.01158	9.8
63.24660	5.5
65.64913	4.9
68.13771	5.9
69.37740	5.3
69.90240	18.2
70.06599	13.6
71.50002	5.3
72.08157	7.7
73.04762	15.2
84.04489	7.0
85.02898	8.7
86.09708	22.5
91.05825	28.7
92.05732	6.1
98.22646	6.2
100.11284	7.6
104.05322	44.7
107.18948	5.7
110.07151	7.0
111.58772	5.7
115.05476	9.1
116.39932	5.5
119.08604	5.8
120.08103	7.7
122.03628	7.3
122.62116	5.6
131.04930	11.6
132.05734	5.7
137.05989	86.0
149.07433	12.9
160.05185	8.2
161.06026	10.5
163.07515	11.8
167.05595	22.4
175.07544	100.0
187.07538	23.6
189.09218	10.1
205.08673	6.8
217.08604	9.0
235.09666	10.6
239.52663	6.3
250.32788	6.0
260.10663	24.4
267.00046	7.4
291.10117	10.2
299.06183	20.3
300.06271	17.0
301.05890	37.3
311.12717	13.1
323.12747	12.5
346.97256	8.8
417.03711	10.8
538.28656	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	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.25925	1.1
55.01880	2.5
55.05508	3.0
56.05035	2.2
57.03422	2.1
58.06588	1.9
60.04512	2.3
67.05507	4.6
69.03428	5.5
69.07068	2.3
70.06590	34.4
71.05003	2.1
71.30576	1.9
72.08154	39.9
73.04758	2.8
73.08486	2.4
74.06071	2.2
79.05500	4.1
81.03429	2.3
81.07047	5.7
83.05023	1.2
84.04497	6.2
84.08139	17.5
85.02416	1.6
85.02892	12.1
85.06535	1.6
86.06042	1.6
86.09705	18.0
87.10031	1.4
89.03877	1.2
91.05405	6.4
93.07052	3.3
94.04197	2.5
95.04962	2.1
95.08609	3.3
97.02895	3.6
98.09652	1.2
99.04447	1.7
102.05573	1.2
102.09162	1.7
103.05435	3.1
105.07039	7.3
107.04939	2.8
107.08568	1.4
109.02887	1.5
109.06522	4.3
109.10172	1.5
110.07166	3.3
110.09710	3.4
115.05482	2.1
116.07071	1.7
117.07011	3.0
119.04939	3.5
119.08548	2.7
120.08113	16.7
121.08467	1.6
122.03639	7.2
124.07655	1.5
127.03886	5.3
129.07027	1.9
129.10240	9.4
131.04912	2.6
131.08385	1.2
133.06491	5.3
133.10101	1.5
135.04419	2.5
135.11710	1.3
136.07574	5.3
137.05971	100.0
138.06328	2.6
143.11819	1.3
145.02829	2.7
145.05016	1.3
145.10129	1.3
147.04402	9.3
147.08026	2.3
149.05975	2.6
152.07062	1.2
155.04871	2.2
156.05565	1.1
159.07953	3.9
159.09167	1.3
161.05989	17.7
161.07240	1.9
163.03896	23.4
163.06029	1.2
163.07480	1.5
166.08694	4.7
167.05542	3.8
172.03918	2.4
172.05258	1.8
175.07539	15.2
185.05684	1.6
185.16460	1.2
187.07513	15.4
189.07021	1.6
190.07803	7.9
191.08562	25.8
192.08937	1.8
195.06503	6.5
199.07559	2.7
202.07689	1.8
203.08611	2.7
204.06641	2.8
205.06458	1.4
207.06403	1.3
207.08151	1.8
208.08871	2.0
213.12378	3.6
218.07294	6.0
219.08051	31.5
220.08765	4.1
231.08057	2.0
235.07652	2.5
236.08292	5.1
237.34863	1.0
242.07672	1.5
242.11501	1.2
246.06822	1.8
247.07503	10.7
248.08260	2.5
251.10664	66.5
252.11044	3.4
260.08682	1.8
261.09109	3.7
263.11328	1.6
263.13879	8.1
264.07773	3.3
265.08603	1.2
267.73203	1.1
279.10156	50.5
279.16898	1.7
280.10605	5.1
281.08145	2.2
285.03198	1.2
291.10132	4.0
294.27744	2.2
296.10565	2.2
299.06161	3.6
300.06277	2.1
301.06149	4.1
311.12747	99.9
312.13071	5.5
312.28818	2.2
323.12753	7.3
329.13870	2.4
340.28256	1.5
341.13736	2.7
346.97592	1.3
358.23947	2.9
358.29391	5.3
375.29092	1.5
376.25241	2.4
376.30386	9.7
392.20267	1.1
417.03247	1.3
506.19064	2.4
520.34772	8.2
538.18762	1.2
538.29224	6.6
538.36536	27.2
539.27405	2.0
539.42249	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94516	0.6
52.90629	0.6
55.01864	2.0
55.05511	2.0
58.02942	1.7
61.02925	1.5
69.03413	2.0
69.05316	4.1
69.05734	1.4
70.06587	2.4
72.08136	0.9
73.04775	1.3
81.03391	2.2
81.07079	1.2
83.08630	2.1
84.04494	3.2
85.02915	7.7
86.09709	1.3
87.04440	0.9
91.05811	2.4
93.03433	0.9
94.04196	2.1
96.08628	0.7
97.02888	2.6
100.11261	9.6
103.05465	1.6
107.04948	1.1
111.04459	2.0
112.07621	1.0
114.09201	3.7
115.05455	6.1
117.07004	1.6
122.03624	3.4
125.05979	1.4
127.03906	1.3
128.06201	1.1
128.07053	1.0
129.07005	5.7
131.04906	3.6
137.05983	78.9
138.06325	2.2
140.07092	1.3
142.08633	2.6
143.04916	9.3
144.05641	1.2
145.04994	1.6
145.06487	1.5
146.03564	0.7
151.03896	1.2
151.07571	0.8
153.05461	2.4
154.12239	3.9
157.06514	5.3
160.05200	15.3
161.05962	2.9
163.07596	3.4
167.05602	2.0
171.14919	1.0
172.05222	3.1
173.05994	1.4
174.06757	1.4
175.07555	100.0
176.07890	2.8
177.09164	1.1
180.08696	1.3
182.15366	3.0
185.05965	0.8
187.07542	32.5
188.08011	1.7
189.09125	6.6
191.08435	0.9
196.13297	0.9
202.07774	0.7
203.08496	1.4
205.08620	17.7
209.16443	1.7
210.14885	4.6
211.07562	0.8
217.08633	2.9
219.08028	1.9
220.08833	1.2
227.17601	1.2
231.08200	1.2
235.09654	15.6
239.07028	1.3
240.07736	1.2
241.19124	1.0
247.07599	1.0
248.08372	1.5
251.10649	0.8
255.06583	1.3
258.21829	1.6
263.10745	1.7
264.08005	0.8
270.08862	1.2
271.09741	3.7
279.10165	1.9
281.18576	1.5
283.09500	1.0
291.10132	4.9
299.06168	3.0
300.06265	2.0
301.06003	3.5
311.12714	2.3
323.12799	4.3
337.03625	0.8
341.13828	5.1
368.25266	1.3
397.31686	2.0
417.03827	1.1
507.34833	1.1
520.38629	1.0
538.42542	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44846	0.2
55.05510	0.5
56.05039	3.3
57.03440	0.4
60.04498	0.3
65.03941	0.3
67.05507	1.4
70.02960	0.9
70.06250	0.5
70.06596	5.3
71.30302	0.4
72.08157	2.7
73.04738	0.3
74.06077	0.3
81.03400	0.3
82.06572	0.4
82.27844	0.2
84.04496	1.7
84.08144	100.0
85.02927	0.8
85.04025	6.0
85.06544	0.6
85.08470	1.8
86.09707	8.6
88.03986	2.3
91.05463	5.0
96.04482	0.3
97.04086	0.3
98.02438	0.6
98.06085	0.5
99.05580	0.3
101.07132	0.4
101.10783	2.7
102.05569	0.8
102.09151	0.4
103.87783	0.3
107.04950	2.8
107.08637	0.3
110.07143	1.4
111.09190	1.2
112.07590	0.5
116.07146	0.3
119.04940	4.9
120.08102	2.5
124.03937	0.3
127.08716	0.4
129.10239	97.2
130.08620	1.9
130.10603	2.0
135.06810	3.4
136.07579	31.7
137.07922	0.8
139.08600	0.3
141.06630	0.5
141.10300	0.3
142.27640	0.3
143.11826	0.8
145.02872	0.4
146.06013	8.4
147.04411	1.4
147.11298	3.0
152.14377	0.3
155.08223	0.3
156.07765	0.3
159.07690	0.7
159.09105	0.4
160.07576	2.6
163.08681	0.4
165.05431	0.3
167.05624	0.3
169.06078	0.4
171.11285	0.4
177.05510	0.7
182.08250	0.3
187.07167	1.1
187.11040	0.3
188.07051	3.0
191.08147	2.0
193.09592	0.3
196.10774	0.7
197.16565	0.7
206.08109	2.7
209.13971	0.3
213.12386	0.4
215.14000	0.5
216.06583	0.6
221.06090	0.3
233.09177	1.5
234.07643	1.1
242.18657	0.6
243.17020	3.1
244.09335	0.6
247.14470	0.6
251.10268	10.2
252.10605	0.3
253.04980	0.4
260.19693	19.1
261.08752	0.3
261.20087	0.8
262.09338	0.3
270.18082	0.4
275.13968	0.7
279.09741	1.8
292.16568	4.1
299.05789	0.6
301.05899	0.5
302.15021	0.7
304.12909	0.3
310.17654	0.7
315.59775	0.3
329.18140	0.5
332.12622	0.3
350.13351	1.0
389.18185	1.7
407.19205	1.7
423.26013	7.0
424.26587	0.4
425.20380	1.4
426.20563	0.3
433.24283	0.5
502.26096	0.6
520.28247	1.3
521.26300	0.8
538.28607	14.6
539.28357	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	538.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28094	0.4
53.03931	0.9
55.01863	1.5
55.05506	1.2
55.98078	0.4
57.03438	7.8
58.06595	1.4
61.02909	1.3
62.99461	0.4
65.03923	1.1
67.05495	5.2
69.03429	4.8
69.07071	1.6
69.53597	0.8
69.54002	1.7
70.06590	3.3
71.04994	1.0
72.08150	8.1
73.02901	1.2
73.04733	0.9
75.04462	0.8
79.05494	3.7
81.03416	1.7
81.07070	2.8
82.06570	0.6
83.04990	0.7
83.08603	0.9
84.08147	1.7
85.02904	5.8
85.06549	0.9
86.06061	0.8
86.09698	3.0
87.04467	1.2
91.05468	25.9
92.05784	0.5
93.07038	5.1
95.04953	1.2
95.08607	7.2
96.08110	1.1
97.02886	2.3
97.06532	5.2
98.06018	0.4
98.09672	0.7
98.22650	0.6
99.04475	0.6
100.07611	3.0
101.08405	1.2
103.03951	0.7
105.03368	0.7
105.07004	3.7
107.04915	0.7
107.08593	1.3
109.02872	0.9
109.08867	0.9
109.10135	0.9
110.09695	0.5
111.08080	1.5
115.05429	2.1
117.07008	17.6
118.07346	0.4
119.08563	1.0
120.08123	4.5
121.06488	0.7
121.08400	1.1
121.10131	1.1
122.09605	0.6
123.08104	0.7
124.11218	4.8
127.03921	1.6
128.06200	0.4
128.10712	1.0
129.07002	4.2
129.10239	0.7
131.08560	5.8
133.06483	0.7
133.10135	2.3
135.08051	0.7
135.11617	0.6
138.09131	0.6
141.06989	11.5
141.08087	0.7
142.12283	0.5
143.08553	3.1
145.05019	0.5
145.10107	1.8
147.11664	0.9
149.09540	0.6
155.08531	2.8
157.10124	8.3
157.83574	0.4
166.08658	0.9
167.05565	1.1
167.08612	1.0
169.10146	1.3
171.11681	0.9
173.13231	0.6
181.10182	1.4
183.11670	6.8
183.13174	0.7
190.05394	0.6
195.11658	0.5
197.12973	0.7
201.12756	0.8
203.08801	0.5
221.13289	0.9
223.14799	0.6
241.19299	0.5
250.12653	0.5
277.19510	0.7
295.20538	1.8
299.06055	0.7
301.05875	1.1
313.21655	0.6
314.24832	1.0
330.08563	0.4
338.80643	0.4
340.26413	3.1
347.09506	1.1
348.09848	0.7
358.27377	43.7
359.27789	2.9
376.28430	100.0
377.28748	6.7
424.18564	0.6
425.18945	1.6
476.23541	2.2
538.23340	20.4
538.33588	22.8
539.23907	2.9
539.34088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.54293	0.2
55.01867	0.2
55.05510	0.4
55.66047	0.2
56.05027	1.2
57.03427	1.0
57.05814	0.7
58.06602	0.4
67.05511	0.7
68.57256	0.2
69.03429	0.9
69.07068	0.5
70.06593	4.6
70.45428	0.7
71.04990	0.3
72.08154	100.0
73.04762	0.7
73.08493	0.9
79.05495	0.9
81.03405	0.3
81.07056	1.3
82.06596	0.3
83.05031	0.2
83.08618	0.3
84.08151	1.1
85.02915	1.3
85.06574	0.2
86.09713	1.7
87.10004	0.2
91.05424	3.3
93.07042	0.9
95.05006	0.6
95.08607	1.4
96.08153	0.4
97.02917	0.3
97.06540	0.9
99.04454	0.4
100.07608	0.2
103.03934	0.3
103.05464	0.4
103.41370	0.2
103.53319	0.2
105.07030	1.4
107.08577	0.5
109.02874	0.3
109.10250	0.2
110.07166	0.4
110.09711	0.4
111.08139	0.3
112.36021	0.2
115.05451	0.5
116.07102	0.3
117.07014	2.8
119.08524	1.0
120.08101	3.3
121.08485	1.0
121.10165	0.4
123.08096	0.4
124.11240	2.2
124.66118	0.2
127.03969	0.7
129.07034	0.8
129.10246	0.4
131.08598	0.7
133.10127	1.4
135.11736	0.4
141.06970	1.5
143.08589	0.6
145.04956	0.3
145.10118	0.5
155.08537	0.3
157.10121	1.0
159.11690	0.2
163.38028	0.2
166.08667	0.3
167.05573	0.7
175.14850	0.4
183.11766	0.9
191.88725	0.2
204.12239	0.3
231.11304	0.4
249.12358	0.5
250.12660	0.4
275.17578	0.3
277.11819	0.3
278.12411	0.2
285.09573	0.7
287.07458	0.6
299.06137	1.0
300.06354	0.4
301.06097	0.8
303.17297	0.3
329.08481	0.5
340.26154	1.0
345.07999	0.4
347.09470	7.4
358.27386	8.0
359.28137	0.3
376.24524	0.5
376.28564	4.1
377.28702	0.3
397.19781	0.7
399.14801	0.3
424.18991	0.5
425.18857	1.9
476.23608	0.3
494.29907	0.7
509.76990	0.2
520.32898	0.6
521.23602	2.7
538.25574	1.5
538.33832	44.7
539.24902	5.7
539.34137	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	538.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44651	0.2
52.69483	0.2
55.01867	0.2
55.05513	0.2
56.05034	0.8
57.03437	0.8
57.05807	0.7
58.06603	0.2
61.02930	0.4
67.05492	0.4
67.87241	0.2
69.03425	0.9
69.46154	0.9
70.06590	3.2
71.05019	0.3
72.08154	100.0
73.02918	0.5
73.04762	0.3
73.08491	1.1
77.43987	0.2
79.05495	0.6
81.03417	0.5
81.07059	0.6
82.06581	0.2
84.08140	1.1
85.02916	1.8
85.06520	0.2
86.09702	0.4
88.98071	0.2
91.05825	0.4
93.07057	0.4
95.04994	0.3
95.08607	0.6
96.08134	0.4
97.02896	0.4
97.06543	0.2
99.04462	0.3
103.03940	0.2
105.07043	0.3
107.04951	4.2
107.08598	0.2
108.08107	0.2
109.02899	0.3
109.08896	0.2
109.10207	0.2
120.08146	0.3
124.11224	1.7
127.03936	0.3
133.06517	0.7
135.08017	0.3
135.11685	0.2
145.04930	0.3
145.06520	0.3
147.08096	0.3
149.06029	0.3
159.08150	0.2
166.58725	0.2
167.05573	0.4
169.05075	0.2
171.11574	0.2
179.28285	0.2
186.84442	0.2
201.12735	0.4
299.06305	0.5
301.06067	0.6
347.09628	0.4
358.27307	0.6
372.01889	0.2
376.28494	5.4
377.23096	0.2
377.28836	0.3
520.32574	0.8
538.24109	2.5
538.33734	46.6
539.27521	0.5
539.34485	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	538.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
57.03441	0.9
57.05814	0.6
61.02926	0.4
65.11262	0.2
67.05511	0.3
69.03439	0.8
69.61545	0.2
69.62779	0.7
70.06589	3.0
71.05034	0.2
72.08154	100.0
73.02925	0.3
73.04755	0.2
73.08499	1.0
77.25220	0.2
79.05487	0.4
81.03432	0.5
81.07073	0.4
82.06570	0.2
83.08594	0.2
84.01392	0.2
84.08142	0.8
85.02902	1.1
86.09713	0.3
87.04447	0.2
93.07040	0.2
95.08636	0.6
96.08146	0.4
97.02901	0.6
97.06512	0.3
98.23298	0.4
102.58986	0.2
105.07037	0.3
107.04951	3.4
107.08627	0.2
109.02894	0.3
109.08965	0.2
109.10209	0.2
119.04934	0.4
119.08595	0.2
121.06526	0.2
124.11212	1.8
127.03925	0.4
133.06520	0.7
133.10030	0.2
135.08076	0.2
139.06004	0.2
145.06480	0.2
159.08040	0.4
167.05589	0.5
169.05310	0.2
179.28386	0.2
201.12717	0.4
208.66472	0.2
209.16483	0.2
212.44739	0.2
222.61134	0.2
299.06384	0.4
301.06046	0.3
342.02240	0.2
347.09601	1.0
358.27502	0.8
358.34711	0.2
372.08508	0.2
376.28439	4.7
377.28729	0.4
401.19165	0.2
484.33789	0.3
502.35651	0.3
520.32227	0.5
538.33728	46.1
539.25049	1.6
539.34137	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	538.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20838	0.4
53.76427	0.4
55.01859	0.6
55.05502	0.9
56.05023	0.8
57.03445	2.7
57.05822	0.7
58.06592	0.4
61.02931	1.3
67.05501	3.7
69.03432	4.6
69.07064	1.0
70.06593	3.6
70.67188	0.9
71.04991	1.8
71.07372	0.5
72.08156	100.0
73.02917	1.1
73.08495	1.0
74.80416	0.3
79.05502	1.8
81.03421	1.2
81.07056	5.3
83.05002	0.5
83.08610	0.6
84.08153	1.4
85.02908	7.2
85.06516	0.6
86.09715	2.7
87.04475	1.0
91.05495	1.4
93.07053	1.5
95.08614	4.1
96.08099	0.4
97.02890	2.6
97.06564	1.1
98.39348	0.4
99.04460	0.9
104.28271	0.3
105.07056	0.7
107.08578	0.8
109.02899	1.0
119.08604	0.5
121.10152	0.8
123.11810	0.5
124.11234	2.7
127.03954	1.3
129.10228	0.5
133.10170	0.4
145.10153	0.6
147.11728	0.5
179.27866	0.6
194.39687	0.4
220.18304	0.4
322.27377	0.5
340.28436	2.1
358.29510	7.8
376.30554	18.2
377.30869	1.0
520.34808	15.7
521.35132	1.3
538.35864	75.0
539.28369	0.7
539.36127	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	539.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
57.03431	1.9
61.02930	3.1
66.93477	0.9
69.03436	9.3
69.22591	1.8
69.22993	4.9
70.06599	5.1
70.06916	0.8
71.04972	1.0
72.08163	1.5
73.02906	0.9
78.03455	6.1
79.01849	3.6
80.05013	3.4
81.03423	4.1
84.04522	2.4
84.08138	3.5
85.02904	32.8
86.09705	1.8
91.03978	1.1
97.02894	17.7
98.53639	0.8
99.04476	1.4
106.02914	22.1
108.03786	1.7
108.04481	22.4
109.02888	2.2
110.07168	2.8
112.88333	0.9
120.08099	1.5
124.03970	1.1
125.02354	60.9
126.05466	0.9
127.03922	7.3
129.10291	2.0
134.02376	89.0
135.02725	1.9
135.04425	1.7
136.03931	1.0
136.07578	3.1
141.10309	1.0
145.02921	1.1
145.04947	10.3
152.03424	5.9
153.01822	21.7
154.04974	2.5
162.01862	44.6
163.03926	8.3
163.05984	3.3
171.02840	2.0
180.02914	100.0
181.03305	1.6
181.04926	2.1
198.03975	49.5
199.04347	1.1
245.07747	1.1
262.11804	1.1
279.06598	1.4
297.07584	3.1
308.12067	1.7
309.12204	1.2
325.07053	1.2
334.97745	1.2
539.21167	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23304	0.4
55.05478	0.6
67.05471	0.5
69.07057	2.0
70.06557	0.8
70.66781	0.6
70.67115	0.9
71.04986	0.4
72.08141	2.8
79.05497	0.5
81.07039	2.0
84.08125	0.5
86.09687	0.5
91.05466	2.2
93.07014	1.3
95.04951	0.4
95.08613	3.1
105.07032	2.7
105.34914	0.4
106.85251	0.5
106.85908	0.4
107.08593	2.1
109.10118	1.1
117.06984	0.7
119.08578	9.8
121.10123	1.0
121.27710	0.4
123.08064	0.4
123.11664	0.9
131.08562	0.5
133.10129	10.4
135.11653	1.5
137.09616	0.8
145.10056	0.9
147.11656	1.7
169.04662	0.6
175.14827	6.4
185.04236	1.2
203.05270	2.6
227.05220	1.0
257.06314	0.9
267.08292	0.6
283.07941	0.7
285.09424	9.7
286.09692	0.5
287.07391	7.7
329.08444	3.2
345.07932	4.1
347.09470	100.0
348.09695	3.3
477.24139	0.9
521.23566	32.2
522.23511	2.7
539.24573	70.0
540.24799	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	539.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05511	0.7
56.75761	0.3
64.62624	0.3
67.05508	0.6
69.06708	3.0
69.07089	0.8
70.06596	2.9
71.05005	0.4
71.20570	0.3
72.08156	7.2
72.56097	0.3
73.08488	1.1
79.05488	1.4
81.07053	2.6
84.08145	1.3
86.09711	0.6
91.05444	0.8
93.07049	2.0
95.08607	1.5
100.11314	0.4
105.07049	1.9
107.04973	0.6
107.08595	3.0
109.02850	0.3
109.10169	0.3
110.07104	0.6
118.06844	0.6
119.08579	2.6
120.08109	0.4
121.10174	0.5
123.11725	0.5
129.10217	0.7
133.10136	3.2
135.11717	2.6
149.13268	0.3
150.04718	0.3
169.05086	0.3
170.15573	0.4
175.14868	1.5
185.04213	0.4
203.05310	1.3
217.06096	0.4
221.41638	0.3
285.09390	4.9
287.07407	3.9
298.60941	0.3
300.06216	0.5
329.08496	1.3
347.09512	12.2
348.09985	0.5
377.23053	1.1
377.28714	0.7
395.20358	3.0
401.30002	0.4
437.21359	0.4
477.24564	5.0
479.22467	2.3
521.23413	1.1
538.34149	0.5
539.24548	100.0
540.24896	7.5
544.07489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
61.26522	1.0
67.13509	0.9
69.07068	2.4
69.08063	5.6
69.08466	2.5
70.06572	4.2
72.08158	3.0
79.05498	1.4
81.07054	4.0
84.08141	2.5
88.73628	1.2
91.05456	2.0
93.07039	2.4
95.04996	1.8
95.08611	1.8
99.04504	1.3
105.07051	3.9
107.08590	2.3
117.07051	1.2
117.48586	1.1
118.06884	1.1
119.08585	3.8
120.08131	1.2
129.10271	1.4
133.10197	2.7
135.11690	1.0
167.05624	1.5
169.05147	1.5
203.05266	2.4
250.54449	1.1
285.09427	8.8
287.07376	7.4
300.06171	1.6
301.05789	1.8
302.06003	2.1
345.07993	4.4
347.09491	88.1
348.09848	2.7
442.03577	1.2
539.24542	100.0
540.25085	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	539.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	1.2
56.96301	1.5
56.96565	19.4
70.56940	1.3
71.95269	3.1
74.97635	1.0
84.96021	4.9
93.07022	0.8
95.08595	1.0
97.96806	1.4
98.28449	0.8
98.91963	1.7
98.97582	14.8
110.97572	5.6
116.98615	8.3
122.63386	0.8
128.98611	8.1
131.00125	1.4
134.99675	2.9
143.00166	1.9
146.99648	5.2
158.99677	1.4
161.01172	3.9
170.99760	0.8
177.00731	2.1
179.02303	1.3
180.45656	0.7
185.04977	0.9
189.00766	1.0
201.00729	1.1
219.01740	6.1
227.09508	1.3
237.02795	9.7
260.78424	0.8
261.02829	2.4
279.03964	3.9
279.12790	1.0
317.17862	100.0
318.18335	6.7
331.19543	0.9
335.18924	40.3
336.19302	2.0
358.20605	9.7
359.18973	3.1
479.23312	1.8
539.31201	14.5
565.82739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52299	3.2
53.03948	11.4
55.01884	19.3
55.05516	14.0
57.03440	20.8
57.07078	73.4
61.02916	7.1
67.05508	34.8
69.03432	50.9
69.07077	15.5
69.41401	14.6
69.41817	3.9
71.05000	7.1
71.08632	55.4
73.02921	60.0
73.71270	2.7
75.04463	3.1
75.60125	2.8
79.05492	4.4
81.03423	45.3
81.07055	40.7
83.04984	8.7
83.08625	35.0
85.02908	37.4
85.10185	32.8
95.08604	61.2
97.02911	16.7
97.10183	18.2
99.04458	26.7
99.08141	3.1
99.11749	4.6
101.06002	3.6
103.03964	6.3
109.02884	71.8
109.10168	33.0
109.89747	3.0
110.03689	10.6
111.04440	62.3
111.11710	5.5
112.04819	4.1
123.11723	18.9
125.13251	4.3
127.03909	36.0
132.99542	30.6
133.08606	3.3
137.13248	8.9
145.04982	4.6
151.00624	9.8
172.99101	6.2
191.00079	41.9
209.01155	13.6
239.23700	100.0
240.23988	4.7
257.24768	13.3
260.90433	2.9
265.03702	5.4
313.27350	60.6
355.28339	5.8
539.28766	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01862	1.6
55.05501	2.2
57.03432	2.9
57.07077	8.7
64.86179	0.9
67.05505	3.5
69.03439	5.0
69.07068	3.2
71.05002	1.0
71.08638	5.9
73.02915	5.7
79.05503	0.9
81.03420	5.1
81.07053	5.5
83.08638	2.7
85.02914	3.4
85.10188	3.2
89.06039	2.3
95.08605	7.3
97.02905	1.5
97.06591	0.9
97.10161	2.1
99.04483	2.7
109.02882	6.9
109.10160	3.2
110.03683	1.4
111.04446	6.5
117.09035	1.2
123.11701	1.3
126.26955	1.0
127.03928	3.8
132.99568	2.7
133.08597	1.0
133.10141	1.2
152.48055	1.0
185.04099	0.9
191.00110	3.9
224.06340	1.0
229.26080	1.2
239.23624	6.4
311.29382	1.2
313.27472	3.3
374.45209	1.0
513.91138	0.9
539.31909	100.0
540.32190	10.1
540.52954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.3
55.05489	5.4
57.07088	13.1
61.01155	17.5
67.05505	19.3
68.93804	2.9
69.07062	9.6
71.04973	2.9
71.08624	6.9
71.29921	2.4
71.30344	2.8
72.04513	40.7
72.07691	2.3
72.08157	3.3
75.63876	2.7
75.87129	2.6
78.03790	29.6
79.05486	21.5
81.07061	20.6
85.06526	5.8
85.10180	5.0
88.02223	6.1
89.06021	19.3
91.05471	10.3
93.07027	26.9
94.72961	2.5
95.04951	4.2
95.08617	17.4
97.10145	2.5
98.05966	2.6
99.05621	4.2
102.03759	48.1
103.02139	3.3
105.07039	12.8
107.08597	11.3
109.10159	5.7
112.33840	3.0
113.05972	3.4
114.03786	13.1
114.04460	2.6
117.07008	5.6
119.08577	9.5
120.04802	5.4
121.10139	14.0
124.07618	3.8
131.06360	19.2
131.08582	6.6
132.04782	31.8
133.08592	7.7
133.10138	5.6
135.11682	8.3
137.09679	3.1
142.08644	10.7
145.10080	5.3
149.07439	93.5
149.13257	6.7
159.05891	3.5
159.11734	3.8
163.14847	3.1
171.11832	2.8
177.11240	3.6
177.16478	3.0
207.15988	2.7
256.26334	7.9
261.12808	13.1
261.21869	3.5
279.86935	2.8
297.22095	3.1
311.29489	5.2
314.24811	7.2
315.23044	10.5
332.25861	33.2
409.28833	100.0
410.29025	6.3
419.28540	2.6
521.33948	61.2
522.34485	7.3
540.53259	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97121	0.4
55.01874	0.8
57.03430	0.9
61.02921	0.9
62.05076	0.4
69.03425	2.3
72.11984	0.4
73.02939	0.5
79.05467	0.6
81.03416	1.3
85.02425	0.6
85.02908	8.1
85.10072	0.3
89.03914	4.1
91.03922	0.6
92.66667	0.4
97.02895	3.3
101.93286	0.3
107.04971	2.4
109.02872	1.3
117.03375	5.4
123.04433	1.3
127.03896	1.3
135.04417	15.4
139.03906	1.8
145.02849	11.7
145.04822	1.9
163.03902	100.0
164.04207	2.2
180.08640	2.4
181.04964	42.8
182.05344	1.1
187.49663	0.4
193.40630	0.4
199.07672	0.5
205.06497	0.8
223.07568	1.2
233.06171	0.7
245.08083	2.0
251.07054	2.4
261.05591	1.2
269.08090	2.0
279.06534	4.6
280.26080	0.4
297.07584	7.5
307.05923	1.6
325.06952	6.0
343.08017	1.6
465.17346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03978	2.0
55.01873	5.3
57.03448	3.2
61.02927	5.2
69.03441	9.7
70.06596	4.6
70.43810	4.0
73.02914	2.0
79.05536	1.8
81.03407	5.5
81.76810	1.2
84.04485	1.6
84.08155	1.7
85.02908	30.7
86.09759	1.9
86.43999	1.3
86.46899	1.3
89.03929	2.4
97.02903	14.1
99.00838	3.8
99.04450	3.1
100.43571	1.8
107.04943	7.3
108.29790	1.3
109.02893	9.2
114.38950	1.4
117.03384	3.0
123.04426	10.5
127.03938	6.2
135.04437	24.2
136.05151	1.8
137.02400	1.5
143.45241	1.8
145.02859	4.8
145.04964	6.1
153.06967	4.8
156.07631	1.4
163.03917	76.7
164.04233	2.9
165.01788	2.0
177.07045	3.0
180.08652	3.9
181.04955	7.2
181.06509	8.8
195.08102	2.1
199.07582	6.5
205.06541	15.7
209.06068	1.7
223.07553	17.5
227.07047	4.7
231.89001	1.4
233.06052	12.6
245.08110	19.9
251.07056	42.3
252.07430	1.7
255.06464	1.5
261.05609	7.4
269.08102	31.7
279.06534	65.3
280.06860	4.8
289.04825	3.1
297.07590	100.0
298.07947	5.3
307.05997	17.4
308.06372	2.2
325.07083	93.9
326.07443	6.4
343.08160	21.4
361.38968	1.4
376.24374	1.4
398.20416	1.6
409.17999	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64303	0.5
53.03938	0.5
54.91422	0.5
56.05027	1.5
57.03412	0.6
69.03422	0.8
69.81804	2.2
70.06591	5.7
72.08144	1.6
76.07895	0.6
79.05495	1.1
81.07049	0.7
82.06579	2.5
84.04485	0.7
84.08131	2.3
85.02898	2.4
91.05479	0.9
93.07028	0.8
95.04967	0.5
95.07359	1.5
97.02883	0.8
97.06541	4.0
108.08147	2.5
110.09686	20.4
114.09222	0.8
118.06861	0.9
118.62041	0.6
123.04436	1.7
128.10721	100.0
129.07002	3.2
129.11058	1.3
131.04984	0.6
131.08559	3.3
137.05968	1.3
141.06995	3.2
146.07303	0.7
157.06505	2.0
158.07256	1.5
159.08064	2.4
159.09242	0.6
169.06482	1.3
170.07283	0.6
174.06754	5.4
175.07523	1.8
186.06766	1.8
189.09119	9.9
191.10663	1.4
201.09157	4.5
207.10255	1.0
212.33611	0.5
219.10175	49.4
220.10518	1.4
360.25479	1.8
378.26285	2.6
486.64066	0.6
540.31689	30.6
541.22400	0.5
541.31836	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
63.90859	0.8
70.06584	4.8
71.14240	1.4
80.58193	0.9
84.08137	1.4
85.02910	2.7
91.05437	2.3
115.05350	1.0
120.07940	0.8
127.03876	1.1
127.28848	1.0
128.06209	1.9
128.10733	1.8
129.07004	8.6
131.04927	1.2
131.08542	6.2
137.05974	8.7
138.06332	1.1
141.06956	4.5
144.05653	1.0
151.07516	2.7
157.06517	6.1
158.07231	2.9
159.08055	7.6
163.07530	1.5
169.06497	3.4
170.07286	1.4
174.06757	14.0
175.07486	2.3
186.06718	4.3
189.09109	27.4
190.09390	1.4
191.10689	2.2
195.07988	1.2
201.09097	9.6
207.10153	1.4
219.10173	100.0
220.10439	3.9
225.17867	1.2
227.10571	1.8
287.12820	1.2
293.30872	0.9
313.13983	1.8
331.15479	6.0
400.74371	1.0
510.21442	1.2
540.31488	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	540.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89524	0.2
53.03947	0.3
55.01871	0.5
55.05516	0.6
56.05038	1.3
57.03440	1.1
57.05810	0.7
58.06609	1.2
61.01139	0.3
61.02930	0.4
67.05500	1.5
69.03436	1.2
69.07065	0.6
69.91972	1.1
70.06592	6.8
72.08155	100.0
73.02890	0.4
73.08483	1.0
79.05493	1.4
81.03414	1.0
81.07046	3.0
84.08146	2.3
85.02911	2.0
85.08942	0.4
86.09699	2.7
87.04471	0.4
91.05477	4.6
93.07053	1.5
95.04972	0.4
95.08615	1.8
97.02882	0.9
97.06519	0.6
98.09674	0.7
98.22678	0.3
100.07536	0.4
100.11281	0.4
103.03963	0.3
105.07013	1.0
107.04937	0.9
107.08601	0.5
109.02829	0.3
109.06481	0.3
109.88000	0.2
110.07157	0.5
115.05428	0.4
117.07010	2.5
118.06853	1.1
119.04967	0.4
119.08584	0.5
120.08108	1.9
122.09597	0.3
124.11243	2.2
127.03893	0.7
127.14032	0.3
128.10713	1.5
129.06961	0.9
129.10222	0.6
131.08527	1.1
133.10092	0.6
141.06996	2.1
143.08545	0.7
145.10077	0.5
145.30202	0.3
155.08556	0.4
157.10086	0.8
159.09195	0.5
159.42192	0.2
161.09543	0.8
171.11697	0.3
183.11563	1.0
212.12898	0.3
227.17471	0.6
255.17032	0.3
275.17276	0.3
307.12506	0.2
326.10236	0.5
342.24048	0.4
342.27841	4.8
348.09772	0.3
360.24948	1.8
360.28659	5.8
361.28995	0.5
378.26218	18.5
378.30042	1.8
379.26328	0.9
397.24005	0.3
507.70523	0.3
522.34375	1.8
540.31146	29.4
541.12561	0.3
541.31458	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	540.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
55.01849	0.5
55.05477	0.5
57.03436	1.3
58.06569	0.3
61.01112	0.3
61.02871	1.0
67.05463	1.0
67.05783	0.3
68.04967	0.9
68.05304	0.2
69.03435	3.9
69.03777	0.5
69.07063	1.6
70.06594	4.7
71.01305	0.2
71.04966	0.5
72.08156	1.9
73.02911	1.6
79.05445	0.8
79.61332	0.2
80.04985	0.4
81.03425	1.3
81.06998	0.7
82.06580	2.4
83.01302	0.2
83.07360	3.7
84.04447	0.7
84.08146	3.8
85.02897	5.0
86.09648	0.8
87.04474	1.3
91.05447	0.7
93.05758	0.5
93.06985	0.9
94.06567	3.7
95.07307	0.3
95.08544	0.5
96.08128	2.4
97.02896	2.3
97.08871	0.8
98.05999	1.0
98.09634	1.0
98.23378	0.5
99.04404	0.7
99.10456	0.3
101.02340	0.5
102.05502	0.3
103.03957	0.3
105.07049	1.3
106.06516	0.5
107.07338	1.3
107.08533	0.4
108.08114	3.9
109.02831	1.0
109.08894	2.1
110.09024	0.3
110.09674	4.4
112.07608	5.8
112.11254	0.3
118.06812	0.6
120.08100	3.2
121.53943	0.3
122.09666	10.9
122.10565	0.5
123.04373	0.9
123.10431	0.3
124.11144	0.6
125.05956	0.5
126.09105	0.9
127.03915	1.3
127.04649	0.3
127.09934	23.4
128.10753	2.8
129.10237	1.9
130.06468	0.4
132.08044	0.3
136.11255	1.2
137.05946	0.5
138.09105	0.2
139.03912	2.1
140.10698	23.1
140.31087	0.2
141.11206	0.5
143.85309	0.2
144.10162	0.2
145.04897	0.4
147.04358	0.2
150.12749	1.0
153.04283	0.4
153.05466	4.9
154.05714	0.3
154.12251	1.2
159.09222	1.1
162.12700	0.4
164.14340	0.6
168.13750	0.3
169.14552	0.3
178.15900	0.6
182.15367	1.5
183.11243	0.4
190.15837	0.5
192.17415	0.6
196.16963	0.8
201.12227	0.4
204.17418	1.0
206.19037	5.7
210.18497	0.7
218.18909	0.3
220.20694	0.3
223.99094	0.3
224.20094	10.9
250.15688	0.4
288.23126	0.6
298.21725	0.4
306.24112	0.5
312.34418	0.2
316.22742	1.0
320.21960	0.4
326.21185	0.4
328.22699	0.5
330.20615	3.5
334.23758	0.3
342.24063	0.3
344.22192	9.7
345.22647	0.6
346.23636	0.4
358.23712	2.0
360.25314	17.0
361.25613	1.1
362.23264	5.4
363.23975	2.7
370.47812	0.3
377.25574	1.4
378.26376	59.5
379.26733	4.0
402.26672	0.5
420.27374	0.9
522.30188	0.4
540.31665	100.0
541.31964	7.8
559.17139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01871	0.4
55.05509	0.7
56.05040	4.2
57.03438	0.7
57.83792	0.2
58.06603	1.6
61.01155	1.0
61.02907	0.4
62.59817	0.2
63.24724	0.2
67.05499	0.7
68.05023	0.9
69.03434	1.7
69.07075	1.2
70.06595	20.4
71.04987	0.5
71.06919	0.8
72.08157	6.4
73.02920	0.3
74.06077	0.7
79.05501	1.5
80.04996	0.2
81.03426	1.0
81.05804	0.5
81.07048	1.8
82.06584	3.8
83.06109	0.3
84.04525	1.4
84.08146	6.3
85.02910	2.8
86.09703	2.7
87.04464	0.6
88.07642	1.3
91.05478	0.9
93.07039	1.7
94.06565	0.8
95.04971	0.5
95.07358	1.8
95.08637	0.5
96.08116	1.1
97.02916	1.0
97.06538	3.6
98.06057	0.6
98.09734	0.4
99.04465	0.5
101.07109	0.5
103.03984	0.3
103.05460	0.2
106.04172	0.2
107.04940	0.3
107.08576	0.3
108.08112	5.3
109.02879	0.6
110.07202	0.6
110.09683	24.2
111.10020	0.4
114.06636	0.2
114.09172	2.1
118.06879	4.8
119.08606	0.2
120.04760	0.6
120.08121	1.8
121.06519	0.4
123.04422	3.3
124.11226	0.5
127.03909	0.5
127.08698	0.5
128.10719	100.0
129.06725	0.2
129.10240	3.1
129.11086	1.4
130.06566	0.7
132.08122	0.5
133.10135	0.3
135.04381	0.5
136.07564	0.6
137.06020	0.3
138.09160	0.3
140.10715	0.3
141.10257	0.2
145.05028	0.3
147.04387	0.4
148.83492	0.2
149.05988	0.7
155.08167	0.4
155.11746	0.3
159.09180	1.4
161.06000	0.2
163.03860	0.5
163.07539	0.3
163.08980	0.5
169.13406	0.6
170.05962	0.4
177.05444	0.5
180.13812	0.4
181.12186	0.4
183.11299	0.5
183.14937	0.4
185.16571	0.2
195.11147	0.3
197.12869	0.5
198.14984	0.3
199.10808	0.4
200.13954	0.5
209.08116	0.6
213.12379	0.6
219.10168	1.0
228.13499	0.3
236.20108	0.9
254.21132	0.5
262.08490	1.5
274.12195	0.8
342.24222	0.4
347.16904	0.2
360.25339	4.5
360.30591	0.5
373.18909	0.6
378.19214	0.4
378.26422	7.6
378.32001	0.7
379.26556	0.4
393.21060	0.2
451.54034	0.3
486.64780	0.3
522.30530	0.7
530.29602	0.7
530.79639	0.9
531.29187	0.3
540.31494	45.3
541.31836	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	540.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.6
55.01840	0.9
55.05511	1.9
55.05713	0.4
56.05015	0.7
57.03434	5.4
58.06547	4.0
61.02883	1.1
65.03883	1.1
67.05499	6.2
69.03419	3.4
69.07018	1.4
69.13025	3.2
70.06591	5.1
71.04938	0.9
71.07333	0.7
71.30346	0.4
72.08151	33.3
73.02866	0.7
79.05491	7.4
81.03366	1.2
81.07050	21.6
81.07495	0.7
82.07342	0.5
83.04919	0.6
83.08570	0.5
84.08139	4.8
85.02902	4.1
85.06506	0.9
85.08915	4.7
86.09703	1.9
87.04408	1.1
91.05474	29.6
92.05749	0.6
93.07037	3.0
95.04952	0.9
95.08598	16.4
96.08095	0.9
96.08920	0.6
97.02822	1.7
97.03373	0.4
97.06477	1.1
97.10053	0.4
98.09681	5.9
99.04412	0.6
99.08025	0.4
100.11196	0.4
105.03349	0.7
105.07028	4.7
107.04929	0.8
107.08531	1.3
109.02806	1.0
109.06425	0.4
109.10106	1.0
111.08049	0.8
112.11201	0.5
115.05436	4.2
117.07011	22.8
118.06738	0.5
119.08544	0.8
120.08079	0.8
121.06531	0.5
121.10075	0.9
122.09579	0.5
123.07979	1.2
124.11269	2.4
124.11980	0.5
126.12757	0.9
127.03869	1.0
128.06184	1.0
129.06139	0.5
129.06996	6.2
129.10161	0.6
131.08556	6.9
133.10062	0.6
135.04358	0.3
141.06976	15.6
142.07480	0.6
143.08557	4.0
145.10103	1.5
149.13226	0.5
155.08530	3.1
157.08907	0.5
157.10107	5.8
163.03868	0.9
169.10043	1.5
171.11610	1.4
173.13145	0.4
181.10066	1.9
181.12181	0.6
183.11670	7.3
195.11583	0.5
196.16953	3.2
197.13124	0.7
199.13191	0.5
209.13170	0.6
279.21140	0.5
297.22083	1.6
303.35339	0.4
342.27875	58.3
343.28195	4.8
348.10236	0.4
358.23685	0.4
360.28922	63.4
361.29160	5.0
378.26126	3.4
378.30151	22.7
379.30481	1.9
522.34180	15.0
523.34747	1.8
540.35272	100.0
541.35638	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	540.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01854	0.6
55.05500	1.1
56.05033	0.6
56.07858	0.3
56.15302	0.3
57.03447	4.2
58.06389	0.3
58.06601	3.0
59.04979	0.4
61.02933	2.6
67.05508	1.5
69.03431	8.2
69.07072	0.6
69.26944	1.6
69.27348	0.7
70.06604	2.4
71.04984	1.2
72.08157	24.2
73.02915	2.7
79.05494	3.8
81.03413	2.4
81.07059	10.5
83.08603	1.2
84.08144	3.3
85.02906	11.7
85.08927	2.8
86.09714	1.0
87.04467	2.7
91.03943	0.8
91.05479	1.5
93.07046	1.5
95.04957	0.9
95.08598	1.9
97.02899	5.2
97.10175	0.6
98.09692	5.0
99.04462	1.1
101.02379	0.5
105.07033	1.1
107.04956	29.1
107.08607	0.7
108.05312	1.0
109.02883	1.5
112.11256	0.4
117.07008	0.6
119.04948	3.3
121.06530	1.7
123.04391	0.5
124.11201	0.9
125.09625	0.7
126.12687	0.4
127.03917	2.5
131.04961	1.2
133.06494	7.7
140.14352	0.5
145.05026	0.4
145.06485	2.6
147.07982	1.7
159.08073	2.9
173.06044	0.3
173.09669	0.8
196.16992	2.4
201.12740	4.1
219.13809	1.0
220.41414	0.4
252.23228	5.4
297.22098	0.6
315.23224	2.5
360.28949	34.7
361.29352	3.4
378.30008	25.3
379.30444	1.9
405.12964	0.4
410.14752	0.4
522.34229	22.6
523.34473	1.8
540.35303	100.0
541.35681	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04926	0.8
55.05508	1.6
55.60487	0.8
56.05034	0.9
57.03425	3.0
67.05503	1.3
69.03445	4.3
69.46477	4.1
70.06596	10.0
71.06913	0.9
72.08157	100.0
72.25172	0.9
73.02914	1.1
73.08495	1.3
79.05497	2.4
81.03422	1.5
81.07064	3.2
84.04491	1.1
84.08147	3.7
85.02911	6.8
86.09692	3.2
91.05482	14.9
93.07040	1.3
95.08608	2.8
95.62685	0.8
97.02921	2.3
97.06540	1.8
102.09206	1.5
103.30576	0.9
105.07041	2.6
107.08616	1.0
109.10180	0.8
110.07144	1.1
112.07562	1.0
114.11346	0.9
117.07005	6.3
118.06873	1.8
121.06558	1.1
124.11268	2.3
127.03957	1.0
129.06996	3.1
129.10251	2.0
131.08606	2.4
143.08577	2.2
157.10126	1.6
159.09195	1.0
160.24034	0.9
185.13217	1.5
275.93457	1.0
298.00818	1.0
321.03973	0.9
342.28024	2.6
360.29004	11.0
364.42453	0.9
378.29999	38.1
379.30496	3.3
522.22052	1.2
540.35358	62.4
541.35449	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	540.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01868	9.2
55.05511	5.7
57.03435	4.9
65.03929	3.2
67.05509	7.1
69.03440	14.8
69.07091	4.2
70.06595	32.5
70.24005	8.3
71.05003	3.9
72.08157	8.8
74.15616	2.6
74.62607	2.5
77.59080	2.5
79.05492	11.3
81.03427	3.3
81.07054	16.8
84.04507	3.7
84.08144	14.5
85.02899	15.9
86.09715	3.4
91.05479	72.5
91.06009	4.7
93.07035	12.3
94.21230	3.0
95.04966	56.9
95.08582	8.5
96.08172	2.8
97.02879	7.8
97.06512	5.3
97.10154	3.5
98.09689	4.4
98.23247	3.3
99.04475	6.9
102.09174	50.0
105.07048	8.9
107.08586	3.5
107.81787	3.0
109.06515	31.0
109.10158	5.1
111.08098	24.4
117.07004	24.8
118.06898	8.3
119.08595	3.1
121.10190	4.8
123.08031	2.9
127.03954	2.9
127.07571	6.6
129.10237	8.0
131.08559	21.9
133.10155	4.8
135.11717	5.6
143.08585	9.2
145.10132	3.6
149.12006	3.7
157.10130	4.5
159.09129	3.9
297.22122	26.7
315.23022	5.8
324.26993	5.9
342.27869	100.0
343.28152	10.1
360.28937	69.5
361.29300	7.3
378.30008	39.2
472.76758	3.0
522.34222	14.2
540.25171	15.4
540.35211	78.1
541.36084	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	540.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01872	1.2
55.05511	13.9
57.03446	3.2
57.07078	21.9
58.06596	2.1
67.05508	14.9
67.05874	0.7
68.64129	0.5
69.03432	1.7
69.05524	5.1
69.07067	8.2
70.06204	0.9
70.06593	17.8
71.04974	0.7
71.08632	14.8
73.02914	2.1
74.06082	0.5
79.05490	10.3
81.07059	14.5
83.04985	1.5
83.08621	10.7
85.10181	6.9
86.09717	1.2
87.04470	1.3
88.07633	22.4
89.06039	5.2
91.05489	4.5
93.07037	7.6
95.04971	0.8
95.08614	9.4
97.06555	0.9
97.10170	17.2
102.09182	16.4
104.10767	1.5
105.07031	2.5
106.08643	0.8
107.08595	7.9
108.80731	0.6
109.10151	5.4
111.08093	0.6
117.07025	1.2
119.08593	1.8
121.10168	3.3
123.11690	1.1
125.09648	11.7
131.08592	1.3
132.66129	0.7
133.08630	2.3
133.10126	1.6
135.08049	1.2
147.11690	0.8
149.13258	1.4
153.09142	0.7
159.11739	0.9
161.13309	0.7
171.10242	0.8
173.13242	1.2
177.11240	0.8
184.07361	0.8
189.11220	8.5
198.19839	0.6
200.87711	0.6
217.52757	0.7
227.12766	12.2
243.21086	0.8
245.13849	15.2
256.26358	50.1
257.26871	0.7
261.22171	3.6
274.27399	4.6
283.26340	6.6
284.29437	6.7
302.30701	1.0
309.66028	0.6
311.29428	50.3
312.29895	1.2
327.20370	1.1
335.21805	1.1
335.25778	15.6
505.35178	6.9
533.46741	0.7
540.53510	100.0
541.53601	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	540.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01872	1.2
55.05511	13.9
57.03446	3.2
57.07078	21.9
58.06596	2.1
67.05508	14.9
67.05874	0.7
68.64129	0.5
69.03432	1.7
69.05524	5.1
69.07067	8.2
70.06204	0.9
70.06593	17.8
71.04974	0.7
71.08632	14.8
73.02914	2.1
74.06082	0.5
79.05490	10.3
81.07059	14.5
83.04985	1.5
83.08621	10.7
85.10181	6.9
86.09717	1.2
87.04470	1.3
88.07633	22.4
89.06039	5.2
91.05489	4.5
93.07037	7.6
95.04971	0.8
95.08614	9.4
97.06555	0.9
97.10170	17.2
102.09182	16.4
104.10767	1.5
105.07031	2.5
106.08643	0.8
107.08595	7.9
108.80731	0.6
109.10151	5.4
111.08093	0.6
117.07025	1.2
119.08593	1.8
121.10168	3.3
123.11690	1.1
125.09648	11.7
131.08592	1.3
132.66129	0.7
133.08630	2.3
133.10126	1.6
135.08049	1.2
147.11690	0.8
149.13258	1.4
153.09142	0.7
159.11739	0.9
161.13309	0.7
171.10242	0.8
173.13242	1.2
177.11240	0.8
184.07361	0.8
189.11220	8.5
198.19839	0.6
200.87711	0.6
217.52757	0.7
227.12766	12.2
243.21086	0.8
245.13849	15.2
256.26358	50.1
257.26871	0.7
261.22171	3.6
274.27399	4.6
283.26340	6.6
284.29437	6.7
302.30701	1.0
309.66028	0.6
311.29428	50.3
312.29895	1.2
327.20370	1.1
335.21805	1.1
335.25778	15.6
505.35178	6.9
533.46741	0.7
540.53510	100.0
541.53601	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	540.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
57.07074	44.9
58.06602	1.7
67.05489	3.2
69.07069	7.5
69.12725	1.2
69.13122	4.6
70.06590	13.3
71.08630	35.7
73.02910	2.2
73.06555	6.8
79.05495	0.8
81.07050	4.2
83.08614	6.5
85.10181	24.0
87.04468	3.9
88.07628	18.4
89.06029	100.0
91.07572	1.4
95.08605	3.5
97.10172	5.6
99.11727	3.4
102.09176	15.4
107.07083	2.9
107.08611	0.7
109.10149	2.4
111.11713	3.6
113.13291	2.0
117.09148	2.4
125.13227	1.3
127.14827	1.8
130.08662	1.7
131.07043	1.0
133.08598	50.5
135.10149	1.1
139.36708	0.6
141.16391	1.2
143.00941	0.6
177.11208	16.6
193.02724	0.7
195.12161	0.7
197.22746	2.6
221.13924	2.7
239.14922	1.5
241.25272	2.1
252.33842	0.8
256.26352	38.6
257.26685	1.1
274.27484	3.3
283.17548	2.2
283.26273	6.9
284.29446	6.9
285.27838	4.9
299.65054	0.8
303.06091	0.8
311.29419	34.3
312.29947	1.1
327.20117	8.5
329.30521	2.7
435.36176	0.7
479.39578	1.0
487.95062	0.7
508.94153	0.7
523.41937	7.1
540.53497	91.5
541.53668	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44560	0.2
54.22237	0.2
57.03424	0.2
57.07077	0.6
66.40146	0.2
67.05497	0.2
69.50857	1.2
70.06590	0.2
71.08662	0.2
80.68357	0.2
81.07050	0.5
86.09684	0.2
88.07609	0.3
88.21040	0.2
93.80042	0.2
95.08595	0.3
103.66331	0.2
109.02917	0.3
132.47693	0.2
133.08653	0.2
185.04263	0.5
203.05272	0.9
256.26389	1.0
259.07947	0.4
311.29486	0.5
312.29733	0.2
341.78857	0.2
448.04810	0.2
540.53442	1.1
541.33447	100.0
542.33826	8.7
542.40289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
57.07087	0.4
64.25293	0.3
67.05515	0.7
69.07080	0.4
69.11535	2.6
70.06587	0.3
71.08646	0.3
79.05491	0.8
81.07062	0.7
88.07626	0.6
91.05482	0.4
93.07064	0.6
95.08631	0.7
98.22570	0.3
119.08579	0.4
127.22997	0.3
130.30183	0.3
133.10126	0.4
185.04213	0.3
256.26495	0.8
311.29517	0.8
492.88406	0.4
540.53656	0.4
541.33478	100.0
542.33771	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	541.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	1.3
53.19902	1.1
55.01868	4.1
55.05527	7.0
57.07079	23.0
58.06593	2.2
58.07408	2.7
61.01151	14.9
62.98229	1.3
65.03931	1.8
67.05504	32.4
69.07076	12.1
69.32609	7.8
70.02930	1.2
70.06596	19.0
71.08636	13.1
72.04521	30.9
73.02921	4.0
78.03796	25.8
79.05494	9.7
81.07059	32.3
83.08620	9.5
85.06540	3.2
85.10177	5.2
85.35828	1.1
86.06081	1.7
88.02227	4.7
88.07635	23.2
89.06026	1.1
89.07977	1.6
91.05488	5.9
93.07050	9.4
93.29039	1.4
95.04993	1.6
95.08609	25.4
96.08917	1.6
97.06528	1.3
97.10176	5.0
99.05602	3.1
102.03764	35.1
102.09185	17.5
103.02168	3.2
103.09533	2.5
105.07012	2.8
107.08606	4.6
109.10167	9.7
112.07607	1.2
113.06024	4.2
114.03767	14.3
119.08601	4.2
120.04793	6.2
121.10149	4.6
123.11718	4.8
124.07613	3.8
130.08632	1.6
131.06393	13.6
131.08653	1.1
132.04794	27.9
133.10173	3.3
135.11702	3.4
142.08633	10.4
147.11696	3.0
149.07443	75.7
149.13200	1.4
159.05919	3.3
163.14848	2.0
168.67656	1.2
175.14848	1.8
184.09737	2.9
243.11592	2.3
256.23651	2.6
256.26349	46.0
257.26654	14.9
261.12701	8.6
263.23706	2.4
274.27502	3.9
275.27621	1.6
283.26294	10.3
284.26666	3.5
284.29559	8.6
285.29935	3.8
291.78125	1.4
292.26370	5.5
299.23608	2.1
311.29453	36.2
312.29782	21.3
316.26459	4.2
317.24796	5.6
334.27390	52.2
335.27719	2.4
340.27081	1.6
342.25699	1.3
393.29306	2.2
411.30386	95.1
412.30515	6.1
421.28995	1.6
503.21222	1.9
523.27606	1.7
523.35663	57.1
524.35858	5.6
540.53516	71.6
541.53833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3325
Annotation	5-O-Desosaminyl-14-hydroxyplatenolide I
Peak:m/z	Relative Intensity
53.03943	0.4
55.05505	0.6
55.20963	0.3
56.05040	2.1
57.03429	1.1
58.06607	3.2
61.02923	0.8
67.05492	1.3
68.05031	0.4
69.03435	2.5
69.07070	0.6
70.06599	4.4
71.04967	0.4
71.07355	0.3
71.20551	0.3
72.08147	0.7
73.02920	0.9
73.24712	0.3
74.46682	0.3
79.05506	1.4
79.55396	0.3
81.03410	0.8
81.05810	0.3
81.07058	1.8
82.06577	3.1
84.08155	5.4
85.02909	3.7
86.09703	0.4
87.04460	0.5
88.07642	0.6
93.07043	1.3
94.06552	0.6
95.04951	0.4
95.07349	1.2
95.08616	0.8
96.08131	2.8
97.02907	1.4
97.06536	3.2
97.08907	0.5
99.04491	0.3
107.04924	0.3
108.08135	2.0
110.09686	17.3
111.10504	2.7
112.11256	8.8
112.12051	0.5
114.09177	1.0
123.04435	6.2
124.11254	1.5
126.09178	0.3
126.12786	0.6
127.03923	0.9
128.10724	49.9
129.11060	1.0
141.11505	0.9
145.05020	0.4
147.04378	0.6
149.05951	0.5
154.12280	1.1
163.07576	0.8
187.21747	0.3
220.20599	1.7
224.20227	0.3
238.21681	4.0
247.85411	0.3
256.22717	1.4
316.62360	0.3
344.25824	4.2
362.26886	8.2
363.27252	0.6
380.27988	9.5
381.28320	0.5
484.93170	0.4
506.31381	1.5
522.11481	0.3
524.32184	6.3
525.32220	1.0
542.33264	100.0
543.33667	9.4
543.41620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05513	1.9
56.05047	2.5
57.03434	2.8
58.06596	2.7
61.02926	2.9
65.27592	0.5
67.05508	4.0
68.05019	0.7
69.03428	10.0
69.07069	2.0
69.26213	2.5
69.26620	1.1
70.06203	1.3
70.06592	21.3
70.23016	0.6
71.04990	1.2
72.04545	0.7
72.08158	10.5
73.02911	2.9
74.05721	0.7
74.06061	3.0
79.05497	1.8
81.03436	3.5
81.07063	4.0
82.06578	2.6
84.04498	1.8
84.08148	3.7
85.02899	14.1
86.06107	0.8
86.06728	0.6
86.09699	15.3
87.04485	2.5
91.03982	0.8
91.05485	1.0
93.07040	1.1
94.06581	1.2
95.04963	0.7
95.08599	3.1
96.08125	12.2
97.02885	6.0
97.06526	0.7
97.08926	2.8
98.06105	1.1
98.09700	3.2
99.04459	1.5
100.07603	1.1
101.07166	1.2
109.02873	2.0
109.10159	1.7
109.68877	0.5
110.07174	2.2
110.09670	5.9
111.10432	0.8
114.09163	9.0
115.08728	0.5
115.98340	0.5
116.07082	4.4
118.06934	0.7
120.08115	3.7
122.09698	0.5
123.04451	3.7
124.07694	0.5
124.11250	2.4
125.06021	1.8
127.03917	3.6
128.10747	0.5
129.10243	0.6
130.04958	0.6
130.06557	0.6
131.32501	0.5
136.07576	0.7
137.06017	1.0
138.12837	1.2
138.62219	0.5
143.11806	1.0
145.04985	1.2
147.04459	0.6
149.06029	0.9
152.14391	1.5
152.22034	0.6
153.05461	31.9
154.05927	0.6
161.06050	0.5
166.08614	1.0
167.07085	0.8
173.47110	0.5
183.15042	0.8
187.14365	4.2
191.61816	0.5
193.08803	0.6
194.19060	0.9
206.30019	0.5
208.20563	4.7
211.14481	1.1
215.13965	2.4
229.15463	4.2
239.13936	1.6
257.14935	2.7
279.16937	0.9
318.24283	0.6
330.24304	1.8
334.23779	0.7
344.25851	0.8
346.23941	2.0
347.24570	2.2
348.25327	8.2
349.25705	0.6
360.25449	0.9
361.26187	0.9
362.26886	47.5
363.27368	3.4
380.27911	32.5
381.28333	1.6
404.27655	0.8
510.30469	4.0
524.32172	14.4
525.32825	1.1
542.33246	100.0
543.33618	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	542.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80597	0.6
53.03936	1.0
55.01863	0.6
55.05509	2.2
56.05037	1.0
57.03437	1.9
57.05819	0.8
58.06595	2.0
61.02922	1.5
65.03942	0.8
67.05516	4.1
68.87670	0.5
69.03432	5.7
69.07072	1.8
69.39848	1.8
69.40272	1.9
70.06595	5.4
71.07368	1.5
72.08157	100.0
73.02919	1.3
73.08508	1.2
79.05495	1.8
81.03411	1.4
81.07059	6.8
83.08620	1.3
84.08141	2.2
85.02911	7.5
85.06564	0.8
86.09710	6.8
87.04475	1.1
87.06824	0.5
91.05481	26.8
92.05813	0.9
93.07033	1.8
95.05003	0.9
95.08613	5.9
97.02902	2.9
97.10175	0.7
98.09692	1.1
101.02293	0.5
101.08386	1.0
102.09187	1.5
105.07037	3.7
107.08574	0.8
109.02859	1.1
109.10165	1.4
117.07029	10.1
119.08637	0.5
121.10142	1.5
127.03931	1.5
128.06183	0.5
129.07007	1.7
131.08572	10.5
143.08568	0.7
145.04988	0.6
145.10147	1.6
155.98340	0.5
157.10172	1.2
159.11739	1.3
171.11665	1.0
178.51471	0.6
221.52310	0.6
225.17729	0.6
326.28467	1.1
344.29477	7.4
362.30527	36.2
363.30792	2.2
363.35120	0.5
380.31589	55.2
381.31961	4.0
542.36914	99.2
543.31177	0.8
543.37604	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	35.3
64.00643	2.7
69.34229	11.7
69.34643	3.7
70.06584	2.4
71.08632	20.6
71.14810	2.3
73.06556	8.0
83.08612	4.7
85.10193	19.5
87.04470	5.9
89.06033	100.0
97.10216	2.9
99.11732	5.6
107.07088	3.7
115.08613	2.6
117.09155	4.2
130.08635	2.8
133.08607	50.2
134.08887	2.9
155.17969	3.3
177.11217	24.1
195.12079	2.4
199.20638	3.3
221.13931	3.9
223.65781	2.5
243.23183	6.4
287.25894	3.4
327.41776	2.8
371.22949	4.3
525.39862	7.3
542.42206	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1114
Annotation	Muraxanthone
Peak:m/z	Relative Intensity
50.92721	1.8
70.06588	2.1
71.28342	1.7
81.04026	1.7
94.93042	2.0
129.89253	1.6
130.07242	1.8
143.47086	2.0
187.27202	1.7
205.02963	1.9
213.24181	1.8
363.06812	4.7
381.05975	6.9
463.51642	1.7
513.94519	1.7
543.11267	100.0
544.11963	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	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19692	0.5
62.58038	0.5
65.99883	0.6
69.45441	2.8
70.06587	1.4
84.08186	0.5
98.23363	0.6
108.11878	0.5
123.14642	0.5
186.91637	0.7
202.89264	0.6
278.11450	0.6
310.55865	0.6
363.06821	4.7
381.07928	15.8
467.33121	0.7
539.74957	0.7
543.13232	100.0
544.13544	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	543.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12046	0.5
51.69540	0.5
58.70684	0.5
69.41881	2.1
70.06602	1.3
72.08141	0.7
85.50906	0.6
86.09721	0.7
87.26596	0.6
127.26193	0.6
140.78966	0.5
185.03983	0.6
201.12059	0.6
309.09491	0.8
324.53189	0.5
381.13107	3.1
382.42068	0.6
543.18347	100.0
544.18768	9.3
556.70465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.31616	0.6
57.07065	1.1
60.17984	0.6
67.05495	1.7
69.07081	1.3
72.08141	0.6
79.05499	1.4
81.07059	1.6
83.08561	0.5
84.58333	0.6
89.06034	2.1
91.05489	1.2
93.07050	1.3
95.08633	1.1
105.07038	1.1
107.08584	1.3
109.10150	1.0
119.08566	0.6
131.08614	0.9
133.08633	1.9
177.11174	0.6
254.64217	0.6
257.26825	0.9
283.17325	0.6
312.29703	0.8
313.30057	1.1
314.96933	0.5
485.20477	1.1
542.54285	3.5
543.35004	100.0
544.35461	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	543.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.4
55.05499	17.6
57.07073	12.0
57.73008	5.9
61.01140	16.0
62.02069	5.3
67.05500	23.2
69.03193	47.4
69.07064	22.3
72.04507	39.3
73.02911	5.1
78.03785	28.0
79.05463	6.9
81.07051	32.5
82.25742	4.9
83.08611	19.0
83.37158	5.1
90.91135	5.6
93.07026	7.5
95.08619	24.8
97.10144	14.2
98.23350	14.0
99.05573	6.4
102.03758	50.0
107.08623	14.1
109.10159	14.1
114.03751	14.0
120.04793	11.2
121.10133	14.2
131.06357	30.0
132.04745	31.6
135.11693	7.9
142.08621	13.4
149.07428	87.3
149.13322	5.8
167.59969	5.2
170.31058	4.7
211.84105	5.6
261.12564	16.3
265.25266	7.5
294.27963	15.6
336.28983	77.2
413.31976	100.0
414.32431	9.4
525.37158	69.8
526.37140	8.1
542.53662	8.5
543.54736	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	544.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
55.05516	8.9
57.03442	4.7
57.07075	1.0
63.46424	0.5
65.03941	0.9
67.05509	17.2
68.05833	0.8
69.07069	9.9
69.36875	3.2
69.51794	0.4
76.04538	0.5
79.05490	5.0
80.16799	0.6
81.06582	1.0
81.07058	17.4
82.02678	1.1
82.07387	1.3
83.08632	4.6
86.09711	2.6
87.10036	0.7
91.05477	3.2
92.05791	0.7
93.07039	4.4
95.08603	11.6
97.06490	0.8
97.10177	2.4
99.08106	0.6
105.07024	2.3
107.08609	2.5
109.10162	3.5
110.02176	8.0
111.08097	0.6
119.08580	2.1
120.96636	31.6
121.10126	1.5
123.11681	1.2
128.03192	0.6
133.10114	1.9
135.11751	0.7
146.98189	4.4
147.11716	1.0
147.98534	0.9
148.98555	0.6
149.13272	0.8
154.32993	0.5
155.19444	0.5
156.97441	1.1
161.13269	0.7
161.54671	0.5
161.99370	0.6
174.98633	1.1
189.82452	0.5
189.98625	0.7
195.00345	0.8
196.82167	0.5
207.99820	100.0
209.00140	0.7
213.00110	1.4
213.99594	1.1
337.27335	22.2
338.27682	1.6
339.27817	0.8
359.25751	1.5
439.22015	1.1
457.22916	8.5
484.24829	0.9
485.25357	4.9
514.23877	0.7
544.25732	4.2
544.32874	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	544.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94938	1.3
55.05512	3.8
56.05038	2.8
57.03447	1.9
57.37763	1.4
58.06614	2.5
61.01150	1.8
61.02909	2.0
67.05499	3.5
68.38386	1.2
69.03423	6.4
69.07069	5.4
69.24445	1.2
70.01714	5.1
70.06590	43.2
70.06960	3.0
71.04998	3.4
71.06911	1.3
72.08154	100.0
73.02895	1.6
73.08471	2.3
79.05486	6.5
79.26840	1.4
81.03414	3.2
81.07078	5.2
84.04517	4.4
84.08134	12.9
85.02904	10.0
85.67097	1.3
86.09702	57.2
87.04458	1.3
87.10049	2.2
88.03983	1.6
91.05501	5.3
93.07063	3.3
95.04970	5.7
95.08620	5.6
97.02907	3.9
97.06526	2.3
98.06048	1.5
98.09736	1.7
100.07654	2.0
105.07037	4.3
107.08580	3.3
108.08139	1.2
109.02900	2.1
109.06548	1.9
110.07172	2.1
110.09705	2.0
111.08097	2.0
116.07079	2.0
117.07071	1.8
118.06879	5.8
119.08636	3.7
120.08117	5.1
121.10137	1.7
123.08067	4.2
124.11253	5.4
127.03922	3.9
129.06677	1.5
129.10280	4.3
130.06491	1.4
131.08525	1.3
132.08147	2.2
135.08089	2.0
139.22517	1.4
141.10251	5.7
145.05026	2.7
147.11613	2.3
157.13409	2.0
159.09206	2.9
169.09818	3.1
171.11411	2.0
176.07214	1.6
183.11487	2.0
183.14922	1.9
185.12772	1.5
187.10883	2.9
193.22505	1.3
197.13017	1.8
201.12415	6.0
211.14514	2.1
213.16034	2.1
215.10318	1.4
215.14032	4.4
225.12511	1.9
227.17857	1.6
229.11966	4.6
255.17407	2.6
263.14087	2.3
268.17841	1.4
273.18573	3.7
282.15079	1.5
282.18271	2.8
283.16937	3.0
287.10052	2.0
300.15741	2.6
301.17996	23.5
302.15176	1.8
313.05807	1.5
328.18835	3.4
329.17758	1.4
342.20413	2.5
346.27545	5.6
347.18527	13.3
353.18948	1.5
364.28333	16.7
382.24698	2.6
382.29517	39.5
385.24744	1.6
462.41064	1.5
526.33917	6.5
544.24292	4.5
544.34772	60.3
545.35126	2.7
545.72052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59507	0.1
53.03949	0.2
55.01875	0.2
55.92514	0.1
56.05045	0.9
57.03439	0.6
57.05816	0.6
58.06618	0.2
61.02919	0.2
67.05511	0.4
69.03437	1.0
69.07093	0.5
69.07514	1.2
69.48327	0.1
70.06594	3.3
71.05003	0.9
72.08159	100.0
73.02904	0.2
73.08500	1.4
79.05503	0.6
79.71744	0.1
81.03402	0.3
81.07062	0.6
82.06620	0.2
84.08147	0.9
85.02908	1.3
86.09717	0.7
91.05506	0.4
93.07060	0.5
95.04989	0.3
95.08599	0.8
96.08147	0.4
97.02904	0.5
97.06529	0.3
98.22620	0.3
100.07614	0.2
101.37663	0.2
105.07034	0.3
108.08159	0.2
109.02931	0.2
109.08936	0.2
109.10177	0.2
110.09717	0.2
119.08611	0.4
120.08127	0.2
122.09751	0.2
123.08102	0.6
124.11240	2.2
124.12041	0.2
127.03954	0.2
127.07555	0.2
130.12263	0.1
130.30882	0.1
133.10165	0.2
137.09654	0.4
143.72995	0.2
159.11710	0.2
163.03966	0.2
167.07237	0.2
213.15913	0.2
223.59796	0.2
236.44858	0.2
346.27652	0.5
364.28534	2.1
382.29553	4.2
383.29694	0.4
465.91800	0.2
526.33783	0.4
544.34814	48.1
545.35071	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	544.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.1
55.01874	0.3
55.05512	0.3
56.05040	1.0
57.03431	0.6
57.05820	0.7
58.06606	0.4
61.02940	0.4
67.05513	0.7
69.03432	1.1
69.04523	0.2
69.04932	1.2
69.07073	0.4
70.06596	3.6
70.06958	0.3
71.05000	0.8
72.08157	100.0
73.02911	0.3
73.08488	1.0
79.05497	0.8
81.03427	0.4
81.07065	0.7
84.08153	0.9
85.02898	1.3
86.09706	2.1
87.04481	0.2
91.05488	0.6
93.07050	0.9
95.04978	0.5
95.08622	0.9
96.08133	0.4
97.02914	0.5
97.06551	0.2
98.09697	0.3
99.04447	0.2
100.07603	0.2
105.07045	0.5
107.08618	0.3
108.08100	0.2
109.02906	0.2
110.09707	0.2
111.08076	0.2
117.07053	0.3
119.08595	0.4
123.08062	0.8
124.11229	2.1
125.10758	0.1
127.03937	0.3
129.10205	0.2
131.08559	0.2
133.10132	0.3
137.09637	0.2
141.10312	0.2
145.04977	0.2
147.11717	0.1
157.13399	0.2
163.03905	0.1
171.11568	0.2
201.12415	0.3
294.24390	0.1
300.15466	0.3
346.27515	0.6
364.28400	2.7
382.29510	5.4
383.29898	0.3
526.33850	0.8
527.34125	0.2
544.34814	51.3
545.35162	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	545.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99072	3.7
69.99445	5.1
70.06597	20.4
72.08140	6.7
84.04489	2.9
84.08146	5.7
85.02904	2.8
86.09695	14.6
99.47487	2.2
110.07144	2.4
129.10246	3.5
187.06047	4.2
215.13824	2.3
423.43372	2.3
467.66525	2.5
545.13019	16.1
545.20868	100.0
546.20618	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	545.1996
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
69.01424	0.4
69.01820	2.0
69.03447	0.3
69.85452	0.2
70.06593	1.4
72.08160	0.3
84.04536	0.2
84.08151	0.6
86.09723	0.4
129.10312	0.3
194.69148	0.3
523.75983	0.3
532.95245	0.3
545.19922	100.0
546.20282	9.5
555.66675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85199	0.8
55.05492	0.7
57.03452	0.9
67.05491	1.1
69.03415	2.2
69.07056	1.6
70.06593	9.4
71.04983	1.0
71.60606	0.6
72.08154	7.5
79.05486	0.7
81.03430	0.8
81.07040	1.4
84.08111	3.6
85.02914	3.8
86.09695	4.6
91.05479	1.5
93.07018	1.3
95.08592	2.3
97.02872	1.7
98.09659	0.9
99.04486	0.9
100.60388	0.7
103.03930	0.9
105.07018	1.7
107.08617	1.3
109.02873	1.0
110.07152	1.5
115.08603	0.8
117.07028	0.8
119.08583	1.6
127.03878	1.0
129.10229	2.3
130.06393	1.0
135.11745	0.8
145.04993	0.8
159.09132	1.3
163.11150	0.7
172.88370	0.7
177.05490	1.8
185.04204	1.1
217.81134	0.7
221.11496	5.2
285.12903	0.9
320.29352	0.8
347.09485	100.0
348.09933	3.7
366.30035	0.8
369.14847	0.7
384.31152	1.3
513.61969	0.9
545.21967	97.5
545.32227	4.5
546.22455	6.8
546.35907	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	545.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01862	2.6
55.05504	3.2
56.05046	1.6
56.75381	1.1
57.03435	2.5
59.05001	1.5
59.84966	1.0
60.95201	1.1
61.01140	3.5
61.02921	2.7
61.67638	1.2
67.05496	3.0
69.03429	16.0
69.07068	4.8
70.06592	34.7
71.04979	4.2
71.06923	2.3
72.08150	11.1
73.02912	3.5
79.05495	4.4
81.03419	17.6
81.07052	3.3
83.04981	3.7
84.04500	4.4
84.08131	12.1
85.02901	60.1
86.09210	2.0
86.09707	27.5
87.05594	1.0
87.10037	3.2
91.05483	7.9
93.07037	6.0
95.04969	3.3
95.08620	2.2
97.02891	27.1
97.06519	3.0
99.04452	39.9
101.07128	1.4
102.05544	1.6
103.03941	68.4
105.07022	16.3
107.04949	1.8
107.08598	7.4
109.02866	17.3
109.06530	4.0
109.10142	2.5
110.07185	2.0
117.07016	2.6
118.06865	10.1
119.05023	1.2
119.08571	14.6
120.06503	1.4
120.08105	1.4
121.06497	5.7
121.09390	1.2
121.10143	6.0
123.08121	1.7
124.03959	1.6
125.05989	1.2
127.03913	85.0
128.04268	2.7
129.06982	1.5
129.10237	9.1
130.06508	1.4
130.07777	1.1
131.04942	1.1
131.08548	3.1
133.06456	4.8
133.10141	15.5
135.04437	3.4
135.08041	4.7
135.11717	1.6
136.07545	1.5
137.09608	4.4
138.09128	1.2
139.07507	1.2
139.15204	1.1
141.10159	1.7
142.07767	4.7
143.08517	2.4
145.04951	54.7
145.06465	3.4
145.10100	11.6
146.07208	1.5
147.08041	14.9
147.11665	11.2
149.05981	8.4
149.09621	7.1
151.07506	1.9
151.11208	3.0
157.10118	12.2
157.13377	1.1
159.08064	8.3
159.09221	3.2
160.08806	8.8
161.05962	12.9
161.09618	11.1
162.10405	2.5
163.06023	26.7
163.07509	4.0
163.08893	1.5
163.11189	9.1
165.09103	14.3
173.09671	4.1
173.12920	1.4
175.11176	23.5
177.09050	2.6
178.09901	1.9
179.07053	5.8
179.10800	1.4
183.11288	1.9
185.09645	4.3
185.12862	1.3
185.16486	2.3
187.05994	4.4
188.08279	3.2
189.06697	1.7
191.10635	14.8
193.12236	71.3
194.12556	3.1
200.13982	1.3
201.12309	4.6
202.21727	1.2
203.10706	14.3
205.07083	2.5
209.11728	11.9
210.12158	1.2
211.13531	1.4
213.15901	2.7
221.11720	77.6
222.12111	1.9
228.13553	1.5
229.11873	3.8
239.12770	100.0
240.13136	4.0
271.08145	4.4
274.12253	2.7
289.09155	2.5
307.10178	2.5
469.98407	1.0
530.28961	1.0
537.30499	2.4
545.31458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88031	1.2
53.03934	7.2
55.01872	2.6
55.05499	5.1
55.83239	1.2
56.05032	2.8
57.03427	3.9
61.01145	5.5
61.02911	2.5
67.05498	3.0
69.03429	18.7
69.07060	5.7
70.06588	46.6
71.01355	1.5
71.04981	5.4
71.06927	2.6
72.08160	18.1
73.02914	5.1
78.14600	1.1
79.05502	5.0
79.16373	1.5
81.03415	21.7
81.07040	4.2
83.04984	3.4
83.06144	1.4
84.04503	5.9
84.08149	18.6
85.02903	69.9
85.56407	1.3
86.09704	50.5
86.81869	1.3
87.10040	5.8
88.03989	2.2
91.05471	8.9
93.07047	6.5
95.04973	4.2
95.08591	3.0
97.02888	31.4
97.06526	3.2
99.04453	44.6
100.04800	1.7
101.07177	1.9
102.05538	2.8
103.03939	80.4
104.04278	2.1
105.07027	20.6
107.04946	2.1
107.08613	6.8
109.02191	2.4
109.02879	21.4
109.06525	6.0
109.10130	2.0
110.07166	2.7
115.03896	1.6
115.05444	2.5
116.07105	1.3
117.07012	3.9
118.06854	10.2
119.07275	1.6
119.08578	20.9
120.06462	1.9
120.08124	2.0
121.06492	7.5
121.10135	6.0
123.04407	1.5
123.08045	2.3
124.03970	2.1
127.03918	95.2
127.08716	1.7
128.04263	4.0
129.06969	2.1
129.10233	11.9
130.06497	1.8
131.08545	5.8
132.08128	1.7
133.06487	4.7
133.10109	14.7
135.04420	5.5
135.08060	4.3
136.07545	2.1
137.05951	1.5
137.09608	4.9
138.09181	1.6
141.10240	3.0
142.07796	5.3
143.08565	2.1
145.04950	58.7
145.06226	2.1
145.10127	12.6
146.07239	2.2
147.08052	15.6
147.11665	12.1
148.06181	2.1
148.12065	1.4
149.05952	11.1
149.09625	7.1
151.07487	2.5
151.11206	1.9
157.10115	14.7
159.08047	8.5
159.09210	5.4
160.08791	10.0
161.05966	16.6
161.09619	11.1
162.10313	3.0
163.06017	27.0
163.07507	3.9
163.11168	9.1
165.09123	12.7
173.09601	4.7
173.12863	1.9
175.11182	27.3
177.09126	3.6
179.07034	5.7
179.10669	3.2
183.11311	2.9
185.09604	5.7
185.12833	3.3
185.16507	3.8
186.16823	2.2
187.06004	4.7
188.08345	4.0
191.10683	16.9
193.12234	72.6
194.12599	3.7
199.10794	1.7
200.14040	2.0
201.12378	8.8
203.10699	13.6
204.09479	1.4
205.07106	2.8
209.11697	10.8
211.13232	1.5
213.16049	4.6
214.16280	3.4
221.11717	80.8
222.12082	4.1
227.10602	1.4
228.13426	2.0
229.11897	5.0
229.27963	1.7
229.36856	1.3
231.51535	1.4
239.12767	100.0
240.13184	4.8
271.08102	5.3
289.09207	2.6
307.10339	1.8
327.24686	2.2
544.95459	1.4
545.22522	2.1
545.31787	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	25.0
55.34571	16.1
62.39160	13.9
67.05470	18.4
67.44489	15.8
69.07032	16.1
69.70689	76.5
79.05491	19.4
81.07057	31.5
105.07066	24.2
107.04949	21.2
122.64909	14.9
134.51849	15.9
163.11243	18.3
167.78290	14.6
189.10439	13.9
193.59669	18.2
211.80869	13.8
491.13248	14.8
545.32092	100.0
545.39484	19.1
546.32227	20.8
572.18884	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01859	0.5
55.05514	3.0
56.05034	1.6
56.96554	0.6
57.05817	0.7
57.19833	0.4
60.04509	0.8
61.02925	0.9
61.56789	0.4
67.05512	0.7
67.26833	0.4
67.90140	0.4
68.05038	0.6
68.99845	1.7
69.00272	1.9
69.03436	2.0
69.07070	6.2
70.06595	33.8
71.04993	0.4
71.06908	1.4
72.08156	28.0
74.06084	0.6
79.05493	0.6
81.03413	1.4
81.07054	1.0
83.05002	1.2
83.06107	2.2
84.04509	9.3
84.08149	12.7
85.02905	7.4
85.08473	0.8
86.09707	100.0
87.05594	1.5
87.09508	0.5
87.10043	1.5
88.07633	0.7
91.05503	1.2
93.07018	0.9
95.08591	0.5
96.04532	0.5
96.08140	0.7
97.02882	3.7
98.06055	0.9
98.97590	0.4
99.04450	4.6
101.07157	3.9
102.05542	1.5
103.03949	7.1
105.07018	2.0
106.05054	0.4
107.08602	1.3
109.02900	2.2
109.06509	0.9
109.10154	0.9
110.07158	2.2
110.09695	1.1
111.04449	1.7
111.05580	0.7
114.09186	0.5
115.08713	1.1
116.07111	0.6
119.07843	0.4
119.08570	2.0
120.08113	3.0
121.06538	0.8
121.10188	0.5
123.08080	0.8
123.11694	0.4
126.29498	0.3
127.03914	10.6
127.08701	1.1
128.10741	0.4
129.05482	2.9
129.06592	1.2
129.10240	11.3
130.05025	1.0
130.06503	2.6
130.10617	0.8
131.11806	17.5
132.08115	1.1
133.06204	0.4
133.10133	1.7
135.08049	3.3
136.07605	1.1
137.06042	0.5
137.09616	0.6
138.09135	2.5
139.05002	0.6
141.06665	0.4
141.10213	0.6
142.07799	0.5
143.08577	0.5
143.11800	0.5
145.04967	6.5
145.10126	1.1
147.07747	0.6
147.11609	1.1
148.06058	1.1
149.09630	7.4
151.11134	1.1
152.10698	0.4
153.06538	1.8
155.08186	0.6
155.11795	1.3
156.07692	0.5
157.10088	1.2
159.09155	4.0
160.08804	0.4
161.09607	3.2
163.06052	2.4
163.07286	0.5
163.11247	0.7
165.05521	0.4
165.09114	2.1
166.08620	4.8
169.06145	0.6
169.13383	0.5
170.06078	0.6
170.09294	0.7
171.11269	0.8
171.14915	4.4
173.09726	0.6
175.11189	4.5
175.56503	0.4
177.09128	1.0
178.13466	0.4
179.08334	0.9
179.10724	1.1
181.06099	1.9
182.12918	2.5
183.11278	4.0
185.09598	0.5
185.12950	0.4
186.08781	0.8
186.12396	0.4
187.05972	0.6
187.10849	0.6
191.10690	0.5
193.12268	0.9
197.12971	0.5
198.08754	1.6
198.12527	0.6
199.10896	0.8
199.12558	0.8
199.14394	7.8
200.10759	0.4
200.13850	3.4
201.12347	0.8
203.10652	2.5
205.11766	0.5
208.09665	3.7
210.12366	0.7
213.15990	0.4
214.15562	2.0
219.61024	0.7
221.11748	4.9
225.12334	7.7
226.12173	0.5
227.10329	0.4
228.13490	1.8
237.91226	0.4
239.12784	11.8
239.15083	0.8
240.13231	1.1
242.14996	44.3
243.15384	1.5
258.15964	0.4
262.12320	0.6
271.08286	0.7
286.17615	0.6
290.11801	0.6
297.15723	0.5
300.15622	0.5
304.15533	0.4
304.18600	1.9
310.17673	0.7
322.66333	0.5
325.18768	0.7
327.20251	1.5
341.21835	25.3
342.22473	0.7
355.19852	0.6
389.18588	0.8
401.18155	0.4
412.29111	1.5
440.28711	4.5
481.76871	0.7
528.23309	0.5
530.29639	4.3
530.79559	1.1
531.29492	0.7
545.21204	1.4
545.32281	1.7
545.61902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.9
57.07052	1.1
67.05503	7.0
69.07076	1.5
69.10589	2.3
69.10976	8.8
78.63492	0.9
79.05486	4.2
81.03376	1.1
81.07063	6.4
91.05463	2.6
91.23331	1.0
93.07042	3.7
95.04971	0.9
95.08608	3.7
97.10193	1.1
98.22626	2.2
105.07050	1.9
107.08603	2.1
109.10137	2.2
112.79743	1.0
119.08566	1.4
121.10149	1.8
131.08557	1.2
194.68213	1.0
202.62869	1.0
211.09431	8.1
221.71901	1.0
267.12057	4.0
335.25879	1.2
357.24222	1.2
435.32932	1.1
466.04330	1.2
492.54980	0.9
527.36877	1.4
545.34448	100.0
546.34723	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	545.345
Annotation	Lys Ile Glu Arg
Peak:m/z	Relative Intensity
55.05511	2.0
57.03433	1.3
57.38552	0.7
64.97141	0.6
67.05499	6.4
69.03436	0.8
69.07069	2.1
79.05497	4.9
81.07047	5.0
83.08643	0.9
91.05495	3.2
93.07034	4.8
93.82695	0.7
95.08585	4.4
97.06536	0.7
104.10812	0.7
105.07041	1.8
106.08513	0.7
107.08583	3.3
109.10162	2.5
119.08576	1.7
121.10159	2.5
131.08583	1.1
131.79259	0.6
133.10194	0.9
135.11696	1.1
143.08694	0.8
145.10153	0.7
211.09412	12.2
267.12094	0.8
335.25864	3.0
527.37164	1.0
545.34436	100.0
546.34778	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	546.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39631	1.0
57.07066	2.1
57.84828	0.9
59.26231	0.8
61.64630	0.8
61.90973	0.8
65.03944	1.6
67.05503	1.7
69.03436	1.8
70.06598	4.9
71.30027	1.2
72.08159	17.7
79.05492	1.8
81.07063	1.8
83.04954	0.9
84.08127	1.8
85.02906	3.2
86.09683	2.1
93.07056	1.4
95.08607	1.3
97.02904	3.1
97.06516	0.9
98.76036	0.9
99.03656	0.9
99.04449	3.1
103.03958	3.7
104.35022	1.0
105.07032	1.2
109.02863	1.8
121.02840	2.2
121.06519	0.9
127.03916	5.7
129.10263	1.1
145.04956	2.2
149.02344	100.0
150.02676	3.1
161.17099	0.8
163.06021	1.2
163.54486	0.9
167.03453	2.5
176.35825	1.0
205.08586	4.5
220.51054	0.9
223.09615	11.6
339.36319	0.9
384.31000	1.7
403.04099	1.0
528.33270	2.9
546.34692	12.3
547.22076	1.7
547.34656	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	546.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14683	0.5
53.03952	1.4
53.70327	0.5
55.01868	0.7
55.05508	1.4
55.64994	0.6
56.05032	2.1
57.03444	1.9
57.05816	0.7
58.06592	0.8
59.05008	0.9
64.43306	0.5
67.05508	2.4
68.85078	0.6
69.03435	3.5
69.07072	2.9
70.06593	8.0
70.66792	1.1
70.68443	0.6
70.70114	0.7
71.04987	2.1
72.08157	100.0
73.02930	1.1
73.08488	8.1
74.26736	0.6
79.05510	2.7
81.03433	1.7
81.07060	3.8
83.75111	0.5
84.08141	4.0
84.08546	0.5
85.02905	7.7
85.08962	0.9
86.09710	3.7
91.05478	2.5
93.07053	2.7
95.04961	1.6
95.08609	2.9
97.02895	4.2
97.06526	1.5
98.09707	1.6
99.04429	3.3
103.03934	4.0
105.07053	1.7
106.29883	0.6
107.04982	2.3
107.08626	2.2
109.02923	1.7
109.06516	0.8
109.10178	1.0
110.07235	0.6
111.08098	2.2
119.08600	1.0
120.08193	0.6
121.06525	2.4
121.10139	1.1
123.08096	1.4
124.11262	2.5
124.85934	0.6
127.03915	6.6
129.10223	0.9
133.10141	1.6
135.04448	2.1
135.08054	0.8
135.12732	0.6
139.07559	1.4
145.05014	2.6
145.10201	0.9
147.11766	0.8
149.06017	0.8
149.09586	0.7
149.13309	0.8
154.79893	0.6
159.09210	1.8
159.11713	0.9
161.13237	0.7
163.06024	1.9
167.07048	5.2
175.03912	0.9
177.12802	1.2
193.12268	1.8
195.13838	1.0
205.12251	9.4
207.06584	2.6
207.13857	0.9
207.23326	0.6
221.40056	0.7
223.13300	24.9
224.13692	0.8
348.29031	1.6
366.30032	7.6
383.29984	0.9
384.31030	12.3
528.35498	5.4
529.23022	1.1
545.35291	2.4
546.36151	59.6
547.36139	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.01878	1.3
55.05514	6.1
57.03435	4.4
57.07080	1.9
61.49672	0.8
62.06091	1.1
67.05502	9.1
69.07069	8.9
69.58624	4.3
69.94518	0.9
71.04985	1.6
71.08640	4.7
79.05490	5.2
81.07060	14.8
82.07379	0.9
83.05005	1.1
83.08624	4.4
85.06541	2.1
88.43715	0.8
91.05470	4.7
92.87644	0.9
93.07042	7.8
95.08605	13.0
97.06535	3.1
97.10223	0.9
98.22640	1.0
98.98468	4.1
99.08099	3.9
102.18415	0.9
105.07022	9.4
107.08595	9.2
109.06503	9.0
109.10162	3.8
111.08098	1.7
117.07046	0.9
119.08597	11.5
121.06522	1.3
121.10169	6.2
122.07267	0.9
123.08064	17.8
123.08926	1.2
123.11721	2.8
125.09608	1.8
131.08577	2.9
133.10152	7.7
135.08046	9.8
135.11696	3.0
137.09589	2.0
143.08583	1.0
145.10152	3.5
147.11687	6.9
149.09631	2.5
149.13255	2.8
157.10149	1.1
159.11719	3.3
161.09610	1.5
161.13239	1.9
163.11212	1.3
163.14828	1.3
164.44748	1.0
167.14368	2.2
173.13307	1.6
175.14827	7.6
177.12769	4.0
179.14311	26.4
180.14738	1.2
193.15918	2.1
194.92378	1.0
205.15857	4.1
216.06387	1.8
231.15939	1.4
233.19160	1.1
263.20007	2.0
275.20059	1.4
289.21619	7.6
290.21930	1.0
293.21191	2.6
303.26761	2.2
319.22809	1.6
331.26248	12.1
337.23792	2.2
349.27399	6.8
369.27908	1.4
374.30338	2.5
375.29056	2.8
387.29013	6.2
405.29993	100.0
406.30212	6.9
485.26437	1.5
503.27829	4.7
546.31537	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	546.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05521	1.1
56.05021	1.3
57.03452	1.1
67.05511	3.6
69.03422	0.8
69.07069	1.7
69.85894	1.5
69.86307	1.6
70.06601	5.5
71.04987	1.7
71.07378	0.6
72.08157	100.0
73.02910	1.8
73.08498	1.0
74.18455	0.7
79.05495	2.6
81.07059	2.7
84.08138	1.8
85.02921	1.4
85.06548	0.8
86.09716	3.8
91.05479	3.5
93.07016	2.9
95.04966	1.4
95.08593	1.9
97.06522	3.9
98.23328	0.8
103.03975	0.8
105.07037	2.4
107.08607	2.1
108.08119	0.6
109.06542	1.4
109.10160	1.0
113.06019	0.7
117.05487	0.7
119.08614	1.4
121.02889	0.9
121.06504	0.9
123.04456	2.6
123.59442	0.6
124.11263	3.3
127.03939	1.4
129.06978	1.0
129.10204	0.9
131.04922	0.6
131.08568	1.7
133.10167	2.3
135.08044	0.6
135.11868	0.7
141.05486	1.7
143.08536	0.6
145.10065	0.7
147.04420	0.7
147.11649	0.8
149.02347	13.5
149.09717	0.6
157.06517	0.7
161.06010	0.7
173.05981	2.8
173.13362	1.4
175.07532	0.8
177.05527	0.6
187.07642	0.8
187.14491	0.7
191.14322	2.3
197.09700	0.6
199.07585	0.8
223.09668	1.5
320.22723	0.7
330.27890	1.3
348.29086	1.2
366.29971	1.2
469.31509	0.6
510.32291	1.1
528.33252	15.7
529.33392	2.3
546.34308	63.5
547.27081	0.7
547.34790	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	546.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
56.05035	1.8
57.03416	0.3
58.06583	1.4
59.07384	0.4
60.08162	17.8
66.73555	0.3
67.05502	3.4
69.07069	1.2
69.07740	2.5
70.06597	0.5
71.07372	7.3
73.91397	0.3
79.05494	2.3
81.07052	2.8
82.07387	0.4
83.08619	0.4
84.08120	0.3
86.09702	55.3
87.10061	0.7
91.05484	1.2
93.07035	1.9
95.04939	0.5
95.08598	2.5
98.98458	5.1
104.10739	98.4
105.07029	1.2
105.11098	1.2
107.08594	1.0
109.10146	1.0
114.86323	0.3
117.07004	0.3
119.08631	0.5
121.10116	0.6
124.99998	29.8
125.09642	0.3
126.00359	0.4
133.10103	0.5
135.07959	0.3
141.55449	0.3
142.42545	0.3
143.01042	0.4
145.10139	0.7
147.11678	0.4
166.02724	0.3
184.07332	100.0
185.07715	1.8
196.07362	0.4
212.88295	0.3
258.10995	1.0
363.28851	0.6
399.31509	0.3
405.29794	0.3
524.91107	0.4
528.34369	6.8
529.34589	0.8
546.35455	20.7
547.35876	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	546.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17241	13.0
60.08160	17.5
66.18890	13.0
67.05508	56.6
69.72195	43.5
69.72610	25.1
79.05500	22.3
80.06813	13.9
81.07068	59.4
86.09720	55.6
86.56297	12.3
93.07053	29.7
95.08618	35.2
104.10737	100.0
105.07027	22.0
106.66219	13.9
109.10204	28.4
121.10181	12.9
123.11729	22.6
125.00052	28.6
135.11736	27.4
159.11673	22.7
163.14812	17.5
173.13319	13.4
175.93486	12.0
178.96483	13.4
181.31931	12.4
184.07349	73.7
243.21152	32.9
261.22119	79.7
315.21640	14.1
333.60443	15.0
353.26913	35.3
459.23633	16.6
546.35449	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.05516	11.3
57.03434	6.4
61.02933	6.8
67.05502	57.8
67.05836	4.2
69.07075	10.0
70.92504	5.5
79.05494	31.4
81.07062	60.6
81.07538	5.7
83.08629	8.8
85.02915	9.2
85.06594	3.6
86.09719	12.7
91.03972	5.4
91.05481	13.6
93.07048	38.1
95.08605	43.3
97.02928	4.3
97.06517	3.1
97.10198	3.9
105.07051	16.4
107.08610	26.1
107.39217	3.0
109.10166	30.1
112.76273	2.9
116.40042	2.8
117.07014	5.7
119.08592	13.6
121.10149	24.0
123.11695	17.6
125.00012	10.2
131.08574	15.9
133.10172	10.8
135.11693	18.7
137.13248	10.6
145.10167	10.0
147.11705	12.1
147.78180	3.1
149.13261	17.8
151.14868	3.7
159.11729	12.8
161.13310	10.5
161.71806	3.1
163.14867	11.0
164.62387	3.1
173.13318	11.4
175.14996	3.1
177.16397	5.8
179.14336	5.9
184.07332	39.5
187.14815	9.9
201.16319	5.2
210.74118	3.3
233.22713	3.9
243.21086	34.2
261.22122	100.0
262.74799	3.0
326.44299	3.2
335.25861	26.0
353.26828	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	546.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.01870	1.3
55.05511	2.2
56.05035	1.0
57.03440	4.6
57.07065	0.7
58.06604	4.2
59.04998	0.5
61.02932	3.0
65.03948	0.3
67.05508	6.2
69.03430	9.9
69.07073	1.4
69.68060	0.7
69.68469	0.6
70.06590	7.8
71.01360	0.5
71.04996	7.8
71.07359	0.5
72.08157	32.7
73.02914	2.7
73.08482	0.9
79.05490	7.4
80.05833	0.3
81.03416	4.4
81.07058	16.6
82.07358	0.2
83.01362	0.4
83.04981	0.8
83.08617	0.3
84.08141	4.7
85.02904	12.9
85.06535	0.3
85.08504	0.2
85.08924	5.5
86.09709	3.0
87.04465	2.1
91.03965	0.5
91.05481	4.8
92.05885	0.2
93.07043	4.5
95.04987	1.4
95.08606	12.1
97.02892	5.4
97.06538	0.6
97.10178	0.3
98.09687	7.0
99.04453	1.7
99.08096	0.5
101.02385	0.8
103.03957	1.1
103.05464	0.3
105.04578	0.3
105.07032	3.8
107.04951	0.2
107.08591	2.3
108.08100	0.3
109.02873	2.2
109.06533	1.3
109.10149	1.6
110.07172	0.3
110.09697	0.6
111.04470	0.2
111.08083	0.7
112.11268	0.9
113.06059	0.4
115.03928	0.4
117.07037	0.8
119.08578	3.3
120.08099	1.9
121.10140	1.4
123.08071	6.7
124.11248	1.5
125.09618	0.6
126.12773	0.4
127.03911	3.3
129.07024	0.3
129.10229	0.5
131.08580	0.9
133.10127	1.5
135.08063	0.5
135.11739	0.6
137.06049	0.3
137.09605	1.9
139.11188	0.6
140.14357	0.8
143.08536	0.4
145.04951	0.8
145.10130	1.1
147.08072	0.4
147.11674	2.0
149.09647	0.8
149.13261	0.3
151.11211	0.4
157.10133	0.3
159.11713	0.8
161.09612	0.3
161.13277	0.8
163.05978	0.3
163.11230	0.6
171.11725	0.4
173.13161	0.3
175.14807	0.3
177.12834	0.2
179.14346	0.9
185.13155	0.2
187.06032	0.7
189.12813	0.5
196.16969	2.0
199.14752	0.6
199.99139	0.2
205.06981	0.4
205.12283	0.7
207.13721	0.4
213.16283	0.2
217.13475	0.4
217.67421	0.2
224.20102	0.4
241.14427	0.6
245.12895	0.7
259.34314	0.2
265.15567	0.2
270.28555	0.2
276.23239	0.4
278.24734	0.7
278.57477	0.2
292.22662	0.4
294.24225	2.5
295.06165	0.5
303.23425	0.3
306.24228	0.3
308.07007	0.2
308.25748	0.3
320.29495	3.7
321.29865	0.3
322.27386	0.5
330.27878	0.8
332.29510	0.5
348.28958	16.3
349.29370	1.1
362.20679	1.2
364.28464	0.3
366.30017	30.7
367.30408	2.2
384.31073	54.8
385.31396	3.4
409.09271	0.3
427.10507	0.2
470.47345	0.2
493.11002	0.2
510.34753	0.5
528.35333	18.3
529.35510	1.6
546.36353	100.0
547.23840	0.4
547.36737	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	546.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01868	1.6
55.05499	1.4
56.05037	1.1
57.03431	4.8
58.06598	5.0
58.15205	0.4
59.04991	0.5
61.02922	2.5
65.90266	0.5
67.05507	5.7
69.03423	9.8
69.07050	1.2
70.06584	5.3
70.31345	0.4
71.01346	0.5
71.04993	9.1
71.07375	0.5
72.04492	0.5
72.08152	35.7
73.02896	2.8
79.05498	7.7
81.03420	5.0
81.07052	16.0
83.04983	1.6
84.07678	0.7
84.08136	4.9
85.02902	14.7
85.06524	0.8
85.08932	5.4
86.09712	2.4
87.04466	2.4
91.03955	0.8
91.05473	4.7
93.07036	5.6
95.04955	1.0
95.08604	11.1
97.02886	5.5
97.06553	0.8
97.16764	0.4
98.09687	7.3
98.22626	1.0
99.04464	1.6
99.08077	0.5
101.02355	0.6
103.03962	0.6
105.07031	3.3
107.08604	2.2
109.02861	2.3
109.06470	1.0
109.10132	1.0
111.08054	0.7
112.11237	1.2
113.06008	0.5
117.07035	0.9
119.08548	3.4
120.08099	0.8
121.06540	0.5
121.10159	1.4
123.08061	8.4
124.11208	2.2
126.12790	0.6
127.03913	3.0
131.08551	1.2
133.10100	1.3
135.08043	0.5
135.11642	0.5
137.09615	2.2
140.14391	0.7
143.08537	0.5
145.04927	0.8
145.10110	1.0
147.11710	1.7
159.09189	0.5
159.11768	0.7
161.13277	1.0
161.57884	0.5
165.12865	0.5
179.14304	1.3
187.06038	0.7
196.17026	1.7
205.07111	0.8
205.12256	0.6
207.13673	0.4
234.73152	0.4
241.14041	0.5
245.13162	0.5
274.94974	0.5
278.24829	0.9
292.12109	0.4
294.24216	2.7
320.29425	5.4
330.28195	0.7
337.07379	0.4
348.28976	17.3
349.29343	1.3
366.29993	31.8
367.30276	2.1
384.31052	53.8
385.31302	4.3
409.62073	0.4
446.37695	0.4
510.34219	0.7
528.35284	18.0
529.35553	1.7
534.34375	0.4
546.36340	100.0
547.36768	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01875	0.9
55.05503	2.0
56.05022	1.0
57.03428	3.0
57.07060	0.7
58.06597	4.6
61.02923	2.5
64.56814	0.6
67.05503	5.6
69.03429	6.9
69.07057	1.4
69.07948	4.4
69.08351	1.5
70.06590	6.0
71.04993	7.6
72.08154	40.4
73.02921	1.7
73.05037	0.6
73.08478	0.8
79.05499	7.0
81.03430	3.8
81.07058	14.1
83.01308	0.8
83.08579	0.8
84.08139	6.5
85.02908	12.0
85.08930	3.6
86.09706	5.2
87.04471	1.5
91.05477	3.5
91.09399	0.8
93.07038	4.2
95.05016	1.0
95.08611	10.5
97.02911	4.2
97.06502	0.9
98.09683	6.6
99.04461	1.6
101.02377	1.0
105.07040	3.1
107.08628	2.2
109.02912	2.6
109.06564	1.1
111.08060	1.0
117.07033	0.8
119.08570	2.3
120.08135	1.3
121.10123	0.7
123.08064	6.7
124.11234	2.1
127.03910	2.7
133.10120	1.6
137.09625	2.3
145.04988	1.8
147.11723	1.8
149.09615	1.3
159.09192	0.8
173.13139	0.7
174.43721	0.7
179.14279	1.3
187.06068	1.3
196.16992	1.8
205.07056	1.1
294.24283	1.8
320.29507	3.9
321.07742	0.8
348.28943	16.7
349.28894	1.2
366.30020	27.5
367.30267	1.9
384.31076	49.9
385.31552	4.3
385.35834	0.9
409.08948	0.9
425.51834	0.8
426.19864	1.3
511.12305	1.2
528.27344	0.8
528.35309	16.6
529.35693	1.4
546.36365	100.0
547.36731	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	547.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.3
56.47720	0.8
57.03437	1.6
61.02924	3.3
65.03937	2.3
66.41260	0.9
68.83263	0.8
68.99792	1.0
69.03425	1.4
69.47963	1.0
69.93455	2.8
70.06590	4.2
72.08154	1.2
73.02903	1.4
73.10077	0.8
76.85126	0.8
81.03410	1.7
84.08132	1.7
85.02921	4.2
91.05464	2.8
93.03392	1.9
94.91112	0.9
97.02894	2.2
103.03926	1.1
107.04972	3.7
109.02864	3.0
112.61986	0.8
119.04927	12.4
120.08087	1.8
121.02863	47.9
121.06482	2.0
122.11137	0.8
128.95364	0.9
129.46330	0.9
131.04933	2.3
133.06479	1.1
135.04410	2.1
138.93890	0.9
145.02803	5.4
147.04338	2.0
149.05972	1.6
159.04428	3.1
161.02353	1.8
161.05931	1.0
163.03918	2.2
167.65056	0.8
169.06464	1.5
171.04410	2.2
173.05949	1.2
175.03915	3.7
177.01865	4.2
177.05499	1.2
179.03418	1.4
185.05969	1.0
187.03905	3.4
189.01852	8.9
189.05482	1.8
190.02589	1.9
191.03322	4.4
195.02856	11.6
199.03906	3.6
201.01830	1.3
201.05391	1.5
202.02551	1.1
203.03387	25.0
204.03752	0.9
205.05103	4.2
205.12422	1.0
207.02917	6.9
209.04485	2.5
211.03816	1.7
213.05486	2.5
215.03369	10.3
217.01491	0.9
217.04988	7.7
219.02872	2.4
221.04375	7.8
225.05562	1.3
227.03354	4.8
229.04938	3.1
231.02864	3.2
231.06567	1.3
233.04416	6.2
241.04976	3.1
243.02913	4.6
243.06442	1.1
245.04460	3.0
251.06934	1.0
253.04990	2.2
255.02907	2.1
255.06490	1.2
257.04468	1.2
261.03937	2.7
267.06635	2.5
268.07236	3.0
269.04477	1.0
271.06021	1.4
273.03970	2.0
276.07657	1.1
279.06546	5.7
280.07309	1.2
281.04712	1.0
281.08026	3.0
282.05234	1.2
283.06055	7.1
289.08627	1.6
291.06372	1.9
292.07294	3.5
293.08044	6.4
294.05347	5.2
294.08356	1.5
295.06003	79.1
296.06470	9.6
297.04269	1.4
297.07321	5.2
298.03589	1.0
301.08456	1.2
303.06717	0.9
304.07251	1.3
305.08035	5.5
306.08905	3.1
307.06021	43.6
307.09387	2.5
308.06760	18.7
309.03983	1.7
309.07507	22.0
310.08038	2.0
313.07043	2.5
317.08084	5.5
318.08652	1.6
319.05917	3.7
320.06702	8.9
321.07562	62.0
322.04669	1.8
322.08206	12.5
323.05475	2.3
323.09061	8.0
325.07047	48.1
326.07477	3.1
329.08087	4.1
331.05847	2.7
331.09589	1.1
333.07581	29.8
334.08200	6.8
335.05795	1.3
335.09106	24.7
336.06210	5.0
337.07050	31.3
338.07501	1.4
339.08609	4.5
343.09583	1.4
344.06726	1.4
345.07547	19.2
345.11316	0.8
346.08075	2.6
347.05469	1.6
347.09088	9.2
348.06091	2.2
349.07053	67.6
350.07471	5.8
351.08600	26.0
352.08911	1.4
357.07669	2.0
359.09134	6.9
361.07019	35.4
361.10822	3.0
362.07669	3.0
363.08609	28.5
363.12216	0.9
364.08801	1.4
367.08170	7.0
371.09106	2.0
373.06982	16.5
373.10959	1.5
374.07373	1.6
375.08646	15.5
376.09103	1.0
377.10092	2.4
379.08109	73.0
380.08432	5.6
387.08530	11.2
388.08997	1.3
389.06067	1.5
389.10251	3.1
391.08084	57.6
392.08459	4.7
393.09494	2.5
397.09244	1.9
399.08612	3.8
401.10342	4.4
403.08145	15.4
404.08731	0.9
405.09573	3.6
409.09158	82.0
410.09473	4.4
413.05960	1.0
415.08069	14.8
416.08472	1.4
417.09528	4.9
421.09238	9.7
427.10260	94.4
428.10715	7.1
429.09506	2.7
433.09171	29.7
434.09543	2.2
439.10251	4.9
445.09137	11.8
447.10648	2.7
451.10052	2.9
457.09259	7.1
463.10187	14.8
475.10257	11.8
481.11310	48.0
482.11539	4.1
485.49341	1.0
493.11270	21.8
494.11716	1.9
499.12320	28.6
500.12915	2.4
511.12335	100.0
512.12787	7.9
529.13416	35.3
530.13757	3.3
547.14258	10.1
547.21716	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	547.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81245	0.9
53.03947	1.9
55.01871	4.2
55.05513	1.9
56.05043	1.7
57.03438	3.6
57.07077	1.0
58.06607	1.9
61.02921	3.2
62.09169	0.9
65.03973	1.8
67.05502	6.1
69.03426	9.6
69.07069	3.5
69.28450	6.0
70.06593	14.9
71.01356	1.1
71.05002	2.9
71.06960	0.9
72.08155	58.4
73.02917	1.5
73.08482	5.0
79.05502	6.5
81.03423	10.1
81.07060	11.0
82.95165	0.9
84.04510	1.1
84.08136	8.6
85.02913	14.0
85.08939	3.1
86.09711	11.5
87.04458	1.0
91.03967	1.2
91.05483	26.9
93.07034	4.4
94.07417	1.0
95.04974	2.6
95.08597	8.2
96.08904	1.0
97.02905	6.9
97.06531	1.2
97.56300	0.9
98.09702	3.6
99.04443	4.4
99.97800	1.0
103.03950	5.9
103.05477	1.3
103.59341	0.9
105.03422	1.1
105.07022	3.5
107.04977	1.7
107.08604	3.6
109.02881	3.6
109.06538	1.2
109.10178	1.6
110.07162	2.2
110.10463	0.9
111.08090	1.3
112.08743	1.1
112.11273	0.9
119.04090	1.8
119.04944	32.9
119.08601	2.5
120.08114	3.7
121.02863	10.9
121.06528	1.3
121.10143	2.1
123.04427	2.6
123.08088	2.0
124.11274	2.1
127.03904	7.2
129.10248	3.5
131.04935	1.1
131.08592	1.8
132.02121	1.9
132.48399	0.9
133.02901	3.6
133.10132	1.9
135.04434	1.7
135.11601	1.1
135.48685	0.9
137.09608	1.8
145.02808	1.8
145.05006	2.6
145.10136	1.4
147.04419	25.9
147.11694	1.4
149.02325	1.0
149.06021	1.0
149.09630	1.2
157.04025	1.9
159.11653	1.3
161.02348	1.1
161.09651	1.5
163.03947	1.3
163.06041	2.6
172.18823	1.1
175.03903	46.4
176.04274	1.6
177.01945	0.9
179.03391	13.0
179.07066	2.8
189.01843	2.2
189.12845	1.3
191.03569	1.0
191.14284	0.9
195.02939	2.5
198.50676	0.9
203.03384	5.3
205.05020	1.3
207.02908	4.1
207.06526	100.0
207.13884	1.4
208.06932	3.6
215.03448	3.1
217.05035	2.1
223.13290	1.4
225.07574	1.0
229.05058	1.0
233.04468	1.6
241.14459	1.0
243.02838	1.4
245.04395	1.2
268.07477	1.4
268.22787	2.0
270.20813	1.0
275.74237	0.9
279.06561	1.8
280.07370	1.2
283.06033	5.6
293.08014	1.7
294.05243	3.2
295.06009	18.8
296.06482	2.3
297.07529	3.8
305.08075	1.4
307.06000	18.0
307.09378	1.8
308.06738	6.3
309.07507	6.3
312.06134	1.5
313.07053	1.1
317.07959	2.0
319.06027	2.5
320.06693	2.6
321.07596	13.0
322.08267	2.2
323.05634	1.5
323.09122	2.8
325.07083	16.0
326.07681	1.4
333.07623	9.8
334.08231	1.9
335.05524	2.1
335.09164	4.6
337.07126	10.3
345.07559	3.8
346.08325	1.0
347.09003	3.6
348.29031	4.4
349.07056	9.2
349.29147	2.1
350.07645	1.3
351.10721	4.6
353.06573	2.5
361.07010	10.7
362.07449	1.9
363.08627	5.9
364.28076	1.2
365.06424	1.7
366.29999	10.1
367.08255	1.7
367.30383	6.4
368.31525	3.1
369.11768	2.3
373.06943	2.4
375.08582	1.9
375.89615	1.0
379.08157	12.8
384.31061	15.8
385.31311	10.3
386.32486	6.7
391.08075	16.9
392.08823	1.3
393.09451	1.7
395.07388	1.0
401.09976	1.5
403.08142	2.1
407.07498	3.1
408.08340	1.7
409.09177	14.6
421.09235	3.7
427.10233	6.0
439.10165	3.8
447.10870	1.8
457.10880	2.1
463.10208	3.3
475.10684	4.6
481.11215	14.2
482.11331	1.7
493.11276	15.3
494.11478	2.0
511.12344	16.7
512.12598	1.2
528.35425	6.1
529.13300	3.6
529.35773	5.1
530.36646	3.4
546.36438	23.2
547.23322	2.4
547.36792	29.8
548.38025	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	5.0
58.06591	1.7
65.86201	1.7
69.03429	2.3
70.06579	16.7
71.05021	2.1
71.28812	3.9
72.08157	13.0
74.02447	1.5
74.06071	2.7
84.04509	8.2
84.08148	32.6
85.02917	6.8
86.09705	13.2
87.10032	2.0
91.05465	2.9
96.04492	1.7
97.02897	6.6
99.04475	2.0
101.07123	3.0
102.05550	3.8
109.02840	2.6
109.64520	1.8
110.07177	4.5
112.08735	2.1
115.05447	2.5
118.06540	20.3
120.08147	2.7
125.02347	8.3
127.03944	5.8
129.10257	20.3
132.08086	5.4
136.07582	2.3
138.05508	6.7
142.06566	3.4
143.07362	4.3
144.08078	11.0
145.05003	4.3
146.06010	62.1
156.07668	1.9
159.09189	6.2
170.05917	3.5
171.02890	2.4
173.12801	3.0
188.07077	100.0
189.07391	2.7
205.09715	31.3
219.07993	3.4
223.13368	2.4
230.11420	3.7
253.58902	1.9
428.25052	2.1
547.13263	2.5
547.31720	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	547.2159
Annotation	Bistratamide E
Peak:m/z	Relative Intensity
50.88081	0.3
54.10755	0.4
55.01865	0.8
56.96569	0.4
58.58683	0.4
61.02923	0.4
69.03409	0.5
70.06584	2.9
72.08161	0.8
73.03520	0.4
84.08141	1.5
85.02916	1.6
86.09719	1.4
88.03954	0.5
97.02901	0.5
98.27250	0.4
103.03978	0.6
107.04971	0.5
108.06355	0.5
119.04937	1.2
119.08575	0.5
120.12074	0.4
121.02890	6.1
121.06487	0.5
127.03945	0.9
145.02896	0.7
159.04460	0.7
187.06096	0.9
188.06320	0.7
189.01875	0.9
195.02980	1.0
201.05368	0.5
203.03398	3.3
215.03438	0.8
217.04976	1.0
221.04468	0.8
233.04459	0.5
241.14401	0.6
243.02748	0.5
263.14069	0.5
293.07846	0.8
294.05365	0.5
295.06030	7.5
296.06519	1.2
297.07513	1.0
300.15686	0.4
305.07813	0.5
306.08716	0.5
307.06070	6.2
307.09381	0.8
308.06647	2.4
309.04309	0.6
309.07706	2.2
317.07739	0.6
319.06226	0.5
320.06671	0.9
321.07602	7.8
322.08365	1.6
323.09213	1.0
325.07083	4.8
333.07455	2.8
335.09229	2.9
337.07169	3.9
345.07578	1.8
346.08197	0.5
347.09280	1.6
349.07065	7.1
350.07416	1.0
351.08594	3.9
359.09174	1.0
361.06995	4.7
363.08618	3.1
367.07959	0.7
373.07135	1.3
375.08737	2.8
379.08112	7.7
380.08908	0.9
385.14966	0.9
387.08829	1.6
389.10284	0.5
391.08075	6.4
392.08557	0.5
397.09067	0.7
401.10291	0.7
403.08252	1.9
404.08005	0.7
409.09149	9.1
410.09619	0.7
415.08380	1.5
421.09152	1.0
427.10297	12.0
428.10785	1.0
433.09375	3.5
439.10266	0.6
445.09561	1.4
451.10321	0.8
457.09628	0.7
463.10236	1.8
475.10696	1.2
481.11319	8.6
482.12054	0.7
493.11353	1.9
499.12354	4.5
511.12448	11.9
512.12659	1.7
529.13464	4.6
547.21515	100.0
548.14355	0.8
548.21887	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	547.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
55.01873	12.4
57.03411	7.9
60.03342	5.1
67.05508	9.1
67.78352	5.0
69.03426	27.3
70.06609	30.2
71.05000	7.5
71.06931	4.7
71.29442	5.7
72.08165	15.5
79.05479	6.4
81.03418	22.5
81.07073	8.2
83.04987	5.8
84.04473	5.3
85.02906	89.6
85.03375	8.2
86.09695	9.9
91.05486	18.2
93.07038	15.4
97.02892	43.0
99.04465	54.3
103.03939	81.4
103.05482	5.8
105.07035	11.9
107.08612	9.1
109.02878	29.7
109.06551	17.3
109.10136	7.2
117.07073	8.7
118.64395	5.5
119.08621	14.4
120.08130	6.0
121.02904	13.3
121.06487	14.0
121.10136	6.8
123.08081	6.0
127.03918	100.0
128.04225	6.6
133.10098	5.9
134.67346	6.6
135.08078	7.4
137.09624	79.3
140.36635	5.3
145.04951	56.8
149.05998	34.6
159.11716	14.7
163.06026	44.1
163.11119	7.4
175.11223	19.1
187.06056	22.1
187.11205	6.8
188.06369	10.5
203.03445	5.3
205.07155	8.7
205.12231	37.9
223.13277	39.4
241.14281	25.9
271.08145	6.0
295.06039	12.7
295.50760	5.1
300.02112	5.9
307.06021	14.2
307.09705	7.3
308.07233	5.2
309.07385	6.0
321.07501	14.3
325.07037	13.4
349.06937	13.0
361.07114	6.2
379.08212	21.9
391.08130	7.1
397.09125	6.1
409.09177	8.5
427.10300	10.5
469.11172	9.0
471.87103	5.5
481.11438	7.9
488.65598	6.4
499.12442	11.0
511.12003	8.8
547.21558	29.8
547.33112	20.2
566.95544	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	547.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.7
55.01873	9.1
57.72713	4.0
67.05502	6.1
69.03420	13.9
69.07050	4.0
70.06599	16.2
70.58133	3.9
70.66978	7.4
70.67299	5.2
71.00070	4.0
71.04988	5.1
77.72884	4.5
81.03416	13.5
81.07071	5.4
83.04986	4.8
83.78352	4.1
84.08157	7.9
85.02892	41.8
86.09702	12.0
91.05496	17.5
93.07043	33.4
95.04990	5.5
96.37795	3.7
97.02904	16.0
98.23264	4.0
99.04453	28.5
103.03947	47.2
103.05503	8.2
105.07017	5.0
109.02906	16.8
109.06524	9.7
117.07049	5.9
118.65580	4.1
119.04953	14.1
119.08575	9.3
121.02868	54.8
121.06496	34.5
121.10133	7.7
127.03909	49.1
135.04370	4.7
135.08058	6.3
137.09612	21.7
145.02914	5.1
145.04964	25.2
149.06003	14.2
149.09596	28.3
157.10182	8.6
159.11682	9.0
163.06023	12.9
175.11177	12.4
177.01836	5.2
187.11201	13.6
189.01869	8.4
193.12242	8.4
195.02888	8.9
203.03377	34.4
205.12207	36.1
207.03029	4.5
215.03490	10.7
217.05005	6.8
221.04616	6.7
223.13301	82.1
241.14456	12.5
279.06497	5.6
281.07779	4.2
283.05994	8.9
293.08075	10.0
294.05148	7.0
295.06052	80.8
296.06726	6.2
307.06024	45.3
308.06644	27.7
309.07404	22.2
320.06906	5.1
321.07614	70.5
322.08298	13.7
323.09070	8.3
325.07028	44.3
329.08209	4.8
333.07571	33.8
333.34293	4.5
334.08005	9.1
335.09158	28.3
337.07050	29.6
339.08408	4.7
345.07468	16.2
347.09201	12.6
349.07013	67.6
350.07776	9.5
351.08582	34.3
359.09076	5.9
361.06909	37.4
361.10742	4.5
362.07510	8.3
363.08438	29.6
367.07932	5.7
373.07101	13.9
375.08566	26.7
379.08145	68.6
380.08475	4.3
387.08694	13.9
391.08139	63.5
403.07983	25.3
405.09604	5.2
409.09167	79.7
415.08139	13.9
421.08865	7.3
427.10306	100.0
428.10486	11.4
433.09131	22.3
445.09302	16.8
463.10037	22.3
475.10089	12.5
481.11328	85.0
482.11682	8.9
493.11496	19.0
499.12354	48.4
511.12369	99.1
511.19571	2.8
512.12665	11.1
529.13525	33.8
547.14398	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11412	0.5
53.03949	1.8
55.01873	3.4
55.05514	19.0
57.03434	2.4
57.07076	2.7
59.05010	0.5
65.03944	2.8
67.05505	62.2
69.07069	19.9
69.07460	0.7
69.91430	1.8
71.04993	2.8
71.08638	1.6
79.05494	26.7
81.03436	0.9
81.07058	100.0
82.07391	1.6
83.04984	5.7
83.08623	11.1
85.06534	4.3
88.33451	0.6
91.05483	23.5
93.07042	19.3
95.04986	3.2
95.08608	43.2
97.03897	0.5
97.06526	5.1
97.10179	2.4
99.08093	3.8
101.06033	1.2
105.07033	29.6
107.08596	12.6
109.06516	3.7
109.10155	11.8
111.08054	1.5
113.09661	0.9
115.07566	0.6
117.07048	1.2
119.08581	22.9
121.10138	17.5
123.08086	2.7
123.11711	26.7
124.12125	0.8
127.07578	2.2
129.07036	0.6
131.08572	1.1
133.10127	6.0
135.11699	2.7
136.71207	0.6
137.13254	3.9
139.11182	0.7
145.10153	1.3
147.11685	48.5
148.12001	0.8
149.13229	2.2
157.10118	0.7
158.15298	0.6
159.11723	1.0
161.13242	1.9
163.14790	0.9
165.12756	29.3
175.11285	0.9
175.14857	1.6
183.13780	3.8
193.12222	0.8
197.19191	0.6
229.14352	7.5
230.14799	0.6
245.22714	2.6
263.23691	4.8
267.15906	43.2
268.16339	1.8
285.16904	5.0
312.37656	0.6
319.26382	0.7
437.34537	0.6
455.35300	0.9
473.36041	0.8
529.39032	1.3
547.39941	38.2
548.40521	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	548.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05518	0.8
67.05505	0.8
69.03431	2.6
69.04114	4.2
69.04468	0.6
69.07068	2.4
71.04997	1.4
79.05486	2.0
81.03413	3.2
81.07070	3.9
83.04987	1.2
85.02905	6.7
85.06535	0.6
91.05476	5.7
93.07043	2.5
95.04953	4.1
95.08596	2.1
97.02906	4.5
97.06540	0.9
99.04451	5.0
99.08137	0.6
103.03936	5.5
103.05447	1.2
105.07024	8.6
107.08588	2.6
109.02870	2.0
109.06510	5.8
109.10123	0.7
116.06239	1.0
117.07039	1.0
119.08578	12.7
121.06483	1.7
121.10130	2.3
122.07296	1.0
123.04486	0.7
123.08012	0.9
127.03911	9.9
129.06998	1.2
130.07797	0.9
131.08563	9.0
132.08838	0.6
133.06483	6.6
133.10136	2.7
135.08069	2.5
137.06027	2.0
137.09637	0.8
143.08546	1.7
145.04959	4.3
145.10112	4.4
147.08022	2.4
147.11693	14.0
148.11989	0.5
149.09621	3.6
150.10374	1.8
151.07544	2.2
156.09351	1.8
156.37268	0.6
159.08041	1.8
160.08797	1.0
161.09625	2.4
161.13239	4.1
163.06000	3.0
163.11115	0.7
165.12759	3.8
171.11688	3.3
174.10406	11.0
189.12746	100.0
190.13084	4.5
207.13806	56.3
208.14133	2.6
225.14876	1.6
238.52533	0.6
242.80437	0.6
271.08054	1.0
289.08994	0.8
307.10159	0.9
335.81458	0.7
513.23022	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	548.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59081	1.6
52.52089	1.6
53.03944	3.4
55.01875	3.1
55.05511	6.3
56.05035	3.6
57.03437	6.2
58.06601	6.5
61.02922	4.4
67.05508	12.1
69.03430	15.2
69.07063	4.5
70.06592	12.3
71.05006	3.4
71.29759	1.8
71.30119	1.8
72.08155	36.1
73.02920	4.9
73.08488	2.1
79.05500	8.0
81.03412	10.6
81.07058	24.7
83.01322	1.5
83.05000	3.9
83.08646	1.5
83.28638	1.5
84.04485	1.9
84.08153	5.9
85.02901	47.3
85.06570	1.9
85.08939	2.8
86.06075	1.6
86.09717	13.3
87.04470	4.7
91.05477	10.2
92.93949	1.4
93.07037	11.7
95.04973	6.0
95.08606	23.0
97.02907	15.2
97.06519	3.8
98.09696	5.5
99.04454	26.3
103.03931	35.9
104.05340	2.9
105.07020	11.9
107.04970	2.2
107.08617	7.0
109.02886	11.4
109.10170	7.1
117.07042	6.8
119.08584	13.7
120.08123	3.2
121.06521	1.8
121.10172	7.5
123.08068	2.7
127.03911	47.4
128.10736	2.5
129.07068	3.1
129.10222	1.8
131.08601	5.0
133.06570	2.6
133.10085	10.0
135.11705	3.3
137.09604	20.9
139.07518	11.4
145.04973	27.4
145.10150	5.2
147.04405	1.9
147.08073	4.3
147.11703	6.4
149.09654	2.2
149.13281	3.1
151.07506	8.1
151.11147	1.7
156.09375	4.0
159.11684	12.2
161.13231	8.3
163.06020	22.9
167.06989	1.7
171.07649	3.7
171.11644	10.1
175.03926	1.7
177.12828	4.3
187.06020	2.9
188.07237	2.1
189.12712	24.5
207.06538	3.2
207.13805	57.7
208.06905	2.3
208.14127	3.2
217.06551	2.1
219.08047	4.6
225.14969	2.6
245.05898	2.1
247.07597	2.3
256.22482	1.8
271.08304	4.0
289.09317	3.6
296.06778	1.8
297.21982	2.0
304.09686	5.3
307.10449	6.4
321.07346	1.6
350.30453	8.9
368.31537	26.7
369.31915	2.3
385.31702	1.8
386.32639	37.5
530.36816	21.1
531.37524	2.2
548.37933	100.0
549.23273	2.6
549.38409	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	548.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05429	6.0
52.10891	6.3
57.01569	6.9
58.06599	32.1
58.40335	7.5
69.03442	26.1
69.07045	7.3
69.09748	56.7
70.06594	69.9
72.08167	15.3
74.06075	6.2
75.26013	6.5
79.05499	10.9
80.38731	7.6
81.03450	7.5
81.07047	13.4
85.02907	53.5
86.09708	100.0
91.05471	14.2
93.07060	12.2
95.08647	9.5
97.02898	15.8
99.04468	15.8
103.03957	34.3
104.05370	7.2
105.07037	11.9
107.08594	32.4
109.02887	12.7
110.07133	6.4
110.09750	6.6
112.08755	7.7
119.04965	8.6
120.08109	20.4
121.02905	27.0
127.03905	36.1
131.08621	31.1
137.09663	7.3
144.60675	6.2
144.84151	6.5
145.04985	30.9
145.10051	8.3
147.11630	7.9
149.09654	15.0
163.05984	30.8
189.12811	17.9
207.06474	12.3
207.13853	24.2
217.04970	9.5
233.94240	6.4
247.12721	7.1
295.05933	36.5
302.15369	16.6
307.06018	32.4
308.06772	11.2
309.07462	15.3
321.07571	25.1
325.07068	34.9
333.07462	12.3
335.09134	12.3
337.07007	24.8
349.07025	37.5
351.08545	15.3
361.07208	16.9
363.08557	16.4
368.27954	13.5
373.07056	11.6
375.08862	11.8
377.10181	7.4
379.08148	36.5
386.28830	10.4
391.07922	32.8
393.09991	15.5
409.09103	47.7
411.10745	26.5
427.10394	26.2
432.75748	7.8
433.08725	11.6
447.10690	12.5
459.11246	10.4
465.11816	22.7
477.11862	17.8
483.12683	18.9
495.12939	68.7
513.13947	44.6
530.33344	10.1
531.14929	10.5
548.26398	8.8
548.35138	44.7
575.98639	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	548.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78430	2.6
55.05508	6.6
56.05032	3.8
57.03421	5.5
58.06598	7.4
60.62621	2.7
61.02907	4.1
62.50071	2.9
67.05492	6.8
69.03440	14.3
69.07076	4.6
69.98914	11.1
70.06594	29.0
71.04985	6.3
72.08157	36.6
72.83890	3.1
73.02917	3.2
79.05480	10.2
81.03410	8.6
81.07060	11.5
83.04985	2.8
84.08138	10.1
85.02903	68.2
85.08928	3.6
86.09714	21.4
91.05479	22.8
93.07036	16.6
95.04955	8.6
95.08602	11.0
97.02895	11.1
97.06501	4.4
98.09734	3.0
99.04456	19.4
103.03947	37.0
105.06998	16.6
107.08590	64.3
109.02883	9.2
109.06504	3.1
111.08122	4.8
112.08757	3.6
116.06269	4.7
119.04950	6.9
119.06066	3.2
119.08588	12.5
120.08102	14.3
121.06473	5.5
121.10142	8.3
123.08102	3.9
123.11732	4.3
127.03915	45.1
127.08752	2.9
129.10313	4.3
131.08572	49.2
145.04950	29.9
146.05031	4.0
147.08083	4.9
147.11661	14.7
149.09621	100.0
150.10022	3.1
156.09320	4.7
163.06007	27.0
165.12712	5.3
171.11647	10.7
187.06007	4.9
189.12747	29.6
207.06532	7.7
207.13799	77.7
271.07925	5.0
289.09076	6.5
307.10135	7.5
326.07397	3.1
350.29688	6.6
368.31116	12.0
385.31372	6.5
386.32587	15.7
508.92569	3.4
512.12354	3.8
530.36121	11.9
548.37469	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.0
55.05507	10.5
56.05025	19.1
57.03444	7.2
61.01146	7.6
61.02922	8.5
67.05500	5.9
69.03424	21.4
69.07063	8.6
70.06593	100.0
70.76685	10.9
72.08163	37.9
79.05496	7.5
81.03400	6.7
83.04988	5.4
84.04511	25.0
84.08146	54.3
85.02905	56.8
86.03246	10.1
86.09708	73.6
87.04458	4.8
87.05594	5.3
87.10055	4.7
88.03990	9.0
91.05440	6.5
93.07037	11.0
95.05008	5.4
97.02904	23.1
98.06050	6.3
99.04449	17.3
102.05537	8.8
103.03934	31.8
104.05315	17.1
105.07021	8.6
107.08579	4.6
109.02896	10.7
109.06490	5.5
110.07154	8.3
119.04942	5.0
119.08576	10.5
120.08120	37.5
121.02852	6.4
121.06517	7.5
122.06827	5.2
123.08059	8.8
126.09164	5.3
127.03909	42.1
128.10683	11.3
129.10214	42.0
130.04977	6.2
131.08575	6.4
133.10109	10.4
135.11687	5.3
136.07603	9.3
144.10194	18.2
145.04976	30.4
146.05232	5.4
146.06305	8.4
147.11630	8.6
150.09930	5.4
161.13290	9.2
163.06009	16.4
163.11140	4.6
165.09114	10.1
166.09492	9.3
169.13382	5.8
173.12910	5.0
189.12752	15.0
197.12891	10.5
200.60732	4.5
201.12360	12.4
206.12616	8.7
207.13834	27.6
223.13306	12.1
224.13602	13.4
225.10829	9.0
225.14868	7.1
241.14240	5.2
267.07318	4.6
284.85962	4.8
322.07907	5.6
346.07684	4.9
368.27838	6.7
387.16061	9.2
392.08267	5.7
410.09354	10.8
428.10254	8.5
434.09604	8.9
482.11554	12.0
512.12665	12.3
530.13898	5.6
548.27930	7.1
548.35236	9.8
549.20642	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	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	35.8
57.07059	16.5
60.07008	12.9
61.02907	11.8
67.05492	48.3
69.07072	27.0
70.06596	16.3
71.30682	20.1
79.05486	39.6
81.07053	59.2
83.08596	19.7
84.52746	12.9
91.05474	43.3
93.07033	47.4
95.08595	50.5
105.00688	14.3
105.07035	24.8
107.08598	35.2
109.10150	17.6
119.08582	52.0
121.10149	48.8
131.08539	24.4
133.10121	32.3
135.11710	23.6
145.10167	18.9
147.11673	27.1
149.13338	18.7
161.13293	18.0
190.16731	12.7
259.20636	20.3
277.21579	42.5
304.81042	12.1
351.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
55.32058	0.3
56.05022	0.5
58.06600	0.4
60.08165	6.5
67.05499	1.0
69.07067	0.7
70.06578	0.3
71.07368	2.7
71.30283	0.5
71.30671	0.3
79.05481	0.3
81.07065	0.7
86.09705	29.3
91.05470	0.5
93.07003	0.3
95.08607	0.6
95.11671	0.3
98.98456	3.3
104.10732	3.5
109.06490	0.3
109.10150	0.6
121.10236	0.3
121.71318	0.3
124.99999	20.1
184.07336	100.0
185.07629	1.2
215.10284	0.3
262.67566	0.3
263.80048	0.3
407.43292	0.3
481.31125	0.3
530.35651	1.0
548.37225	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	548.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16549	0.3
54.66280	0.3
55.05513	1.5
55.24676	0.3
56.05037	1.7
57.03445	0.4
58.06588	1.7
59.07366	0.4
60.08165	18.3
65.03947	0.4
67.05503	3.2
69.07057	1.3
70.06596	0.6
71.07375	7.5
79.05479	0.9
81.07063	2.9
83.08629	0.8
86.09705	53.7
87.10035	1.1
91.05482	0.4
93.07047	0.7
95.08615	2.5
98.98469	5.1
104.10743	95.6
105.07009	0.4
105.11021	1.6
107.08588	0.6
107.67436	0.3
109.10154	1.0
118.29195	0.3
121.10124	0.5
125.00002	29.8
143.01073	0.5
163.01582	0.6
167.55815	0.3
184.07341	100.0
185.07695	1.3
252.13560	0.3
258.11063	1.2
273.03564	0.3
365.30621	0.6
368.16812	0.3
530.36029	8.0
531.36414	0.6
548.37128	19.8
549.37640	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	548.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85967	5.0
55.05510	16.6
57.03431	10.1
57.07078	11.9
60.08163	17.5
61.02944	9.1
61.90113	4.2
67.05508	57.5
68.98677	3.9
69.07071	23.2
70.06634	4.8
71.07378	6.8
71.08633	8.1
74.74648	4.3
79.05490	20.5
81.07058	80.6
83.08627	18.0
85.02901	8.3
86.09718	42.1
91.03970	5.1
91.05479	14.1
93.07047	19.1
95.08610	62.0
97.02894	5.6
97.06549	5.6
97.10190	10.9
104.10733	82.8
105.07023	11.0
107.08601	17.3
109.10140	41.4
119.08608	9.5
121.10144	22.7
123.11712	23.0
125.00055	24.5
133.10153	12.8
135.11684	12.2
135.23476	5.2
137.13277	8.1
137.56984	4.1
147.11713	12.9
149.02339	7.0
149.13258	12.1
150.88513	5.2
151.14922	8.4
161.13284	19.3
163.14799	12.8
165.12683	5.1
165.16402	10.8
175.14807	11.2
179.17966	9.5
184.07344	84.4
193.04993	6.4
237.07521	6.5
245.22624	67.5
263.23727	100.0
337.27386	73.9
355.28516	7.7
530.36462	6.2
548.38232	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25035	1.8
55.05517	11.9
55.84818	1.7
57.03438	3.1
57.07078	6.1
61.02922	10.2
65.03941	2.3
67.05179	3.2
67.05509	42.2
69.03464	2.5
69.07071	13.9
69.31886	1.6
70.05251	1.8
71.04990	1.7
71.08653	3.0
71.30329	1.7
75.33578	1.7
77.62523	1.7
79.00185	1.7
79.05496	14.3
81.07063	57.5
83.08627	14.7
85.02916	6.9
85.06544	2.2
85.10209	2.1
91.03961	5.6
91.05468	9.5
93.07069	14.7
95.08614	45.5
97.02898	6.6
97.06544	5.5
97.10166	10.2
105.07048	5.4
107.08613	11.3
109.10162	28.9
111.08091	3.3
111.11742	3.7
113.09662	2.4
119.08575	7.9
121.10154	18.4
122.65694	1.7
123.11720	16.5
133.10156	10.3
135.11717	9.4
137.13275	5.0
141.12730	4.4
147.11696	8.5
149.13307	9.2
151.14838	7.8
153.12727	2.2
155.14365	4.0
161.13284	13.8
162.13731	2.1
163.14841	7.5
165.12872	2.3
165.16408	13.1
175.14835	10.1
177.16504	2.3
179.14284	2.1
179.17918	9.0
189.16357	4.9
192.48784	1.7
245.22678	68.6
246.22977	2.3
263.23715	100.0
264.24005	5.7
265.25424	2.1
271.63757	2.1
337.27356	43.1
340.89761	1.9
355.28464	4.1
357.67999	1.7
418.66574	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	549.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05508	3.2
56.05033	2.9
57.03425	2.2
57.35351	1.5
58.06583	3.4
59.05042	1.8
61.02917	3.8
65.03953	1.5
67.05498	2.7
69.03432	27.0
69.07097	2.6
70.06583	27.2
71.05013	2.2
71.06966	1.7
71.19839	1.6
71.29776	1.8
72.08156	13.9
79.05485	2.6
81.03421	2.5
81.07057	2.8
83.04973	1.9
84.04507	3.7
84.08143	20.1
85.02903	11.3
86.09705	22.5
87.04472	4.8
87.10055	2.9
88.00414	1.6
91.05478	4.6
93.03397	3.3
93.07070	2.9
95.04952	2.4
95.08617	2.9
97.02893	5.6
99.04469	4.4
103.03944	7.0
105.07042	4.6
107.05007	3.4
107.08641	2.3
109.02892	3.2
109.06506	4.9
109.10182	2.8
112.08691	2.8
119.04976	10.7
120.08120	7.6
121.02867	45.7
127.03919	6.9
129.10219	12.7
130.06506	2.1
131.08615	2.4
132.08118	2.0
133.10129	2.8
135.04390	4.2
137.09604	2.8
144.10236	1.8
145.02861	6.7
145.04956	5.1
147.04385	3.6
155.08214	2.4
159.04442	4.1
159.09174	4.7
162.85068	1.9
163.03902	3.3
163.05991	1.8
165.01863	1.6
171.04539	2.7
173.02437	2.3
175.03935	2.9
177.01822	4.4
177.05489	1.8
179.03407	2.8
181.05017	2.1
187.03943	2.9
189.01839	7.8
189.05513	2.3
189.12854	2.1
190.02556	2.0
191.03384	6.3
191.14354	6.2
195.02893	7.6
199.03961	1.9
203.03323	14.8
205.05016	3.6
207.02911	7.6
207.13771	3.2
209.15402	2.6
213.05554	2.5
215.03429	6.5
217.05035	4.7
219.02911	4.9
219.24736	1.8
221.04495	5.1
225.15038	1.8
227.03540	2.0
233.04439	3.2
243.02890	3.8
245.04480	2.0
257.04373	2.2
267.06561	2.0
268.07318	4.7
273.03925	2.4
279.06540	7.8
280.07288	3.7
281.08130	4.7
283.06119	5.1
284.06635	2.3
290.25635	1.9
291.06537	2.9
292.07388	2.5
293.08102	5.4
294.05197	15.7
294.08337	2.3
295.06003	61.1
296.06702	7.3
297.07544	10.4
298.77167	1.8
305.07990	4.9
306.08575	2.8
307.06030	49.9
307.09290	3.0
308.06790	18.6
309.07562	21.1
313.07266	3.0
317.08313	3.1
318.08820	2.8
319.05878	7.0
320.06750	10.1
321.07565	46.5
322.08151	9.5
323.05615	3.8
323.09171	6.2
325.07065	70.6
326.07532	2.6
329.08057	4.6
331.05869	2.9
331.09698	2.9
333.07556	24.1
334.08209	8.1
335.05527	3.4
335.09073	20.8
336.06073	4.6
337.07059	62.3
337.18674	1.9
338.07339	4.2
339.08566	8.0
343.09689	2.0
345.07556	17.0
346.07870	3.1
347.05640	2.1
347.09241	10.7
349.07077	46.4
349.10751	2.2
350.07690	3.1
351.08594	26.4
355.08176	11.7
357.21140	2.5
359.09158	2.8
361.06985	22.6
361.10815	3.4
362.07693	3.8
363.08621	35.1
365.06467	2.4
367.08261	8.7
368.31610	3.4
371.09030	2.5
373.07010	17.6
375.08685	20.5
377.10315	3.9
379.08081	46.4
380.08023	2.4
381.09860	2.2
385.09619	1.9
386.32553	2.8
387.08710	7.9
389.10361	4.1
391.08044	62.9
392.08423	2.4
393.09653	30.3
401.10260	3.6
403.08081	7.2
405.09625	17.1
409.09158	78.7
410.09357	4.1
411.10681	34.5
413.10226	6.0
415.08054	7.6
417.09750	3.0
419.11658	3.8
421.09222	6.2
423.10876	6.9
427.10236	47.0
428.10684	3.3
429.11731	4.2
431.11154	5.6
433.09146	12.5
441.11948	9.5
447.10605	15.1
459.11191	19.9
465.11813	29.7
466.12228	2.6
477.11804	32.0
483.12869	27.9
484.12833	3.2
495.12814	100.0
496.12939	5.3
513.13861	48.5
514.14386	1.9
531.14935	16.3
548.36652	3.9
549.16071	3.8
549.37140	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	549.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.05499	3.0
56.05013	3.0
57.03439	2.6
58.06592	6.6
59.04991	1.9
65.03947	3.2
67.05485	5.6
69.03434	24.8
70.06593	45.2
71.04973	3.6
71.30737	2.3
72.08152	19.2
73.02921	2.9
79.05492	3.6
81.03403	6.2
81.07058	5.3
84.08143	14.0
85.02897	15.4
86.09702	32.3
87.04453	2.5
87.05617	2.0
87.10021	4.0
89.06048	3.0
91.05471	6.7
93.07022	4.5
95.04948	2.1
95.08583	5.7
97.02887	6.2
98.06054	2.0
99.04435	5.3
101.07165	1.9
103.03944	4.9
104.05331	4.1
105.07046	4.5
107.04988	5.2
107.08601	3.3
109.02905	3.7
110.07162	3.2
110.09718	1.8
111.04430	2.7
112.08743	4.9
112.53053	1.7
115.08691	2.4
116.07053	4.2
119.04932	9.3
119.08585	2.6
120.08105	13.6
121.02877	42.8
121.06430	2.8
121.08424	2.1
121.10098	2.4
127.03970	8.9
129.10251	6.0
132.08089	2.8
133.10109	2.5
135.04463	2.4
137.05971	2.7
145.02818	5.5
145.04976	5.4
147.04443	2.9
147.11658	3.1
149.06009	2.1
159.09177	4.5
161.02380	2.3
161.05943	2.0
161.13342	2.2
163.03987	3.7
163.06029	3.5
170.05942	2.5
171.04393	2.0
173.05951	2.5
173.13293	1.9
175.03882	2.6
177.01793	2.6
179.03380	2.7
185.06036	2.3
189.01799	7.9
189.12796	2.3
191.03351	6.3
191.14331	1.9
195.02899	5.1
199.03975	2.0
201.05452	2.8
203.03355	13.8
205.04851	2.5
207.02904	5.1
207.06516	3.6
207.13940	3.8
207.15677	2.8
209.15286	2.0
212.10378	2.4
215.03401	5.7
217.04939	5.5
219.02867	4.1
221.04440	5.4
225.17101	2.9
227.03334	2.4
229.04907	2.4
231.02881	2.7
231.09741	2.5
233.04462	4.0
241.04753	2.5
243.02924	2.8
245.04417	3.7
248.86688	2.2
255.02863	2.1
257.04474	2.6
258.16113	2.1
267.06610	2.5
268.07379	4.2
279.06491	2.9
281.08084	4.0
283.05902	2.8
284.06607	2.2
292.07245	4.5
293.08142	5.6
294.05228	13.8
295.06036	50.3
296.06567	8.8
297.07532	6.2
305.07950	3.9
306.08676	2.5
307.06033	37.7
307.09470	2.9
308.06750	14.3
309.07538	18.5
313.07281	2.4
319.06033	5.9
320.06702	8.3
321.07565	42.0
322.08295	7.7
323.05679	2.7
323.09180	7.2
325.07047	53.2
326.07446	2.2
329.08096	3.1
331.09781	2.7
333.07544	20.5
334.08240	5.8
335.09097	17.0
336.06274	4.0
337.07074	45.5
338.07449	3.2
339.08673	6.3
342.29938	6.5
345.07529	12.4
347.09177	10.2
349.07065	45.1
349.10910	2.1
350.07449	2.3
351.08636	23.2
355.08347	5.4
359.09082	4.9
360.31097	4.0
361.06958	19.3
362.07651	2.5
363.08536	21.0
364.08792	2.2
367.08032	10.8
373.06949	11.9
375.08649	18.8
377.10123	3.4
379.08109	43.2
386.33112	2.4
387.08609	7.4
387.32269	9.7
389.10150	4.4
391.08041	43.2
391.12665	3.5
392.08246	2.4
393.09631	29.3
397.09985	2.0
403.07965	9.4
405.09653	15.0
409.09140	56.8
410.09415	5.7
411.10730	35.5
412.10797	2.1
413.10236	7.2
415.07932	8.9
417.09854	4.9
419.11472	2.7
421.08905	4.8
423.10428	3.8
427.10327	31.3
429.11362	3.7
431.11563	5.0
433.09235	15.2
441.11829	9.2
447.10638	12.0
451.10413	2.3
459.10974	18.5
465.11823	28.7
466.11526	2.2
477.11786	32.8
478.12265	2.2
483.12872	32.5
495.12845	100.0
496.13077	9.1
504.35226	3.4
513.06360	3.5
513.13849	57.2
514.14514	4.5
531.14990	15.3
531.36072	2.9
548.37598	15.7
549.17548	3.6
549.37823	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40323	1.5
53.03933	1.8
55.01879	5.9
55.05493	2.7
56.02204	1.3
56.05030	2.4
57.03430	1.7
59.62923	1.3
59.67023	1.2
60.04512	1.2
61.02921	4.3
65.03919	1.9
67.05497	3.3
68.99809	1.2
69.03426	6.8
69.07071	2.1
69.29717	9.1
70.06208	1.5
70.06589	25.2
71.05001	1.9
71.06951	1.3
72.08149	14.5
73.02917	2.1
73.23860	1.3
74.06081	5.9
79.05474	2.5
81.03435	6.4
81.07062	1.5
81.12402	1.3
82.06573	1.5
83.04984	1.7
84.04504	4.3
84.08139	18.9
85.02899	19.2
86.09704	16.9
87.10033	2.2
91.05469	3.6
93.03434	1.7
93.07059	3.4
95.04967	15.7
95.08604	9.9
97.02882	8.8
97.06513	1.4
98.22653	3.0
99.04437	9.4
101.07157	3.0
103.03942	18.6
103.05491	1.9
104.05312	1.6
105.04431	1.3
105.07016	5.2
107.04960	3.8
107.08604	4.0
109.02890	4.5
109.06503	2.7
109.10162	1.8
110.07168	3.7
111.04414	1.5
115.08674	1.9
115.11836	1.6
116.07104	1.9
119.04932	10.0
119.08543	3.4
120.05278	2.6
120.08102	14.7
121.02864	31.5
121.03876	1.8
121.06454	2.3
121.10091	2.2
122.03218	12.8
123.03354	5.2
123.08063	4.0
127.03909	16.6
128.04279	1.5
129.10257	9.0
131.08554	1.5
133.10143	4.1
135.04291	1.6
135.11674	1.8
137.09631	5.1
143.08362	1.5
145.02858	5.4
145.04959	11.6
146.03128	1.6
147.11618	2.3
149.09615	8.5
153.09137	7.5
159.11333	1.3
161.09480	1.4
161.13251	2.4
162.02782	1.4
162.06316	1.3
163.06027	7.9
163.11195	3.8
171.04420	1.9
171.11583	1.9
175.03923	2.4
176.04373	1.8
177.01862	2.8
178.02170	1.3
187.03944	1.6
187.10870	1.4
187.14502	4.6
187.64780	1.3
188.14761	2.1
189.01825	4.8
189.08789	1.8
189.12732	4.7
190.02238	3.2
191.14270	1.4
195.02939	5.0
196.03239	2.6
197.03529	1.6
201.05698	1.5
203.03380	11.9
204.03661	6.3
205.03960	2.6
207.02969	3.9
207.13797	21.5
208.03261	3.0
215.03394	4.5
216.03758	3.4
217.05109	3.2
218.05244	4.3
219.05324	1.6
221.04413	2.4
222.04788	2.5
225.14842	11.5
227.03453	2.9
231.05161	1.4
233.04385	1.5
234.04805	2.3
243.02866	3.2
243.15875	4.7
246.04759	1.5
268.07147	3.0
269.07520	2.2
279.06467	1.7
280.06909	1.7
281.07507	2.5
283.05826	2.2
284.06442	2.8
285.06534	2.4
289.08749	1.5
292.07193	2.0
293.07748	4.1
294.05124	2.9
294.08237	3.1
295.05945	29.0
295.09079	2.3
296.06332	32.3
297.06604	36.3
298.07376	2.8
299.08038	1.7
305.07916	1.9
307.05917	12.0
307.08969	2.0
308.06433	16.0
308.09528	2.0
309.06735	24.7
310.07593	12.0
311.08017	7.8
318.08582	2.4
319.08878	1.9
320.06552	3.1
321.07431	23.2
322.07748	21.6
323.08173	30.7
324.09079	6.0
325.06808	11.5
325.10272	1.8
326.07388	13.5
327.07562	23.5
331.09009	3.7
333.07397	8.7
334.08035	7.7
335.08524	19.4
336.09286	9.8
337.06143	7.9
337.10260	11.6
338.07291	11.2
339.07742	14.5
340.08557	2.1
341.09445	2.0
345.07355	4.0
346.07889	3.9
347.08264	13.0
348.09189	3.6
349.06674	15.8
349.10648	1.7
350.07410	15.8
351.07739	37.5
352.08627	7.4
353.09265	14.8
359.08740	2.1
361.06552	9.0
362.07330	8.1
363.07742	26.3
364.08826	7.6
365.09283	18.9
368.08319	2.4
369.08817	2.7
373.07031	4.3
373.10934	2.2
374.07315	2.6
375.07825	12.0
376.08615	2.3
377.09424	8.2
379.07880	13.6
380.08328	16.5
381.08667	38.8
382.09070	2.0
387.08588	2.5
388.09100	2.9
389.09183	7.3
391.07816	12.5
392.08408	10.0
393.08688	40.5
394.09091	2.3
395.10101	2.2
401.09610	2.7
403.07498	2.1
404.08411	2.2
405.08679	10.6
407.10583	1.6
409.09094	15.0
410.09393	13.8
411.09735	55.3
412.10040	2.4
415.08020	2.6
417.08527	12.7
419.10168	2.7
423.09814	5.3
427.10248	13.6
428.10623	18.1
429.10822	71.8
430.10800	4.3
431.10098	2.5
433.09253	4.7
434.09439	2.1
435.09659	20.4
445.09027	2.7
447.09775	9.3
453.10666	1.5
459.09863	5.0
465.10693	11.5
477.10803	8.4
481.11148	5.3
482.11578	4.7
483.11838	40.2
484.12408	1.8
493.11224	2.8
495.11887	19.1
496.11639	1.7
499.12231	2.6
500.12155	1.6
501.12933	26.0
502.13437	2.5
511.12363	6.2
513.12921	100.0
514.13245	4.8
531.13959	39.2
532.13745	2.0
549.13959	8.3
549.32013	9.3
550.30890	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	550.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
54.56847	1.5
55.01864	1.4
55.05510	3.0
67.05500	1.8
69.03407	3.3
69.07059	2.7
69.43050	5.8
70.06590	16.1
71.04984	2.4
72.08141	9.7
72.86742	1.5
79.05473	4.4
81.03417	3.1
81.07051	7.3
83.08652	1.7
84.04504	2.6
84.08137	8.2
85.02911	11.2
85.06547	7.1
86.09701	10.8
89.95061	1.3
91.05464	11.1
93.07035	17.4
95.04987	2.0
95.08624	6.6
97.02879	4.0
97.06535	4.7
99.04450	5.8
99.08083	2.3
101.07091	1.3
103.03940	9.6
105.07030	22.8
105.68822	1.3
107.08596	16.5
109.02864	2.9
109.06515	2.4
109.10188	2.8
110.07136	1.9
111.08076	2.0
112.08731	1.4
117.07005	3.3
119.08585	22.4
120.08113	10.3
121.10146	10.5
123.08066	2.0
127.03896	11.3
129.07066	3.4
129.10228	5.7
131.08569	46.3
133.10127	73.2
134.10446	3.0
135.08026	3.0
135.11691	4.3
136.07607	2.2
139.99303	1.5
141.10155	1.8
143.08551	3.1
145.04964	6.3
145.10130	11.8
147.11690	14.5
149.09648	7.7
149.13203	6.9
151.11174	5.4
158.10904	4.0
163.06023	4.4
163.11176	1.8
163.14822	7.6
173.13252	71.2
174.13553	2.3
175.14856	5.1
191.14308	100.0
192.14671	3.6
201.12268	1.7
204.67709	1.4
209.15367	45.1
210.15677	2.5
286.91776	1.4
307.09976	1.7
308.40134	1.4
320.45343	1.7
322.07889	1.8
323.36948	1.5
358.37393	1.3
364.08646	1.6
394.09897	1.9
407.23511	1.9
412.11206	2.3
491.29083	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72881	4.2
53.03948	6.3
55.05509	7.5
69.03452	11.8
69.07059	8.6
69.98898	16.9
69.99237	5.0
70.06609	13.0
71.05000	10.0
72.08149	7.1
73.02899	7.0
79.05466	8.6
81.03414	21.3
81.07060	12.8
83.04983	6.6
84.08166	8.2
85.02905	57.6
86.09711	21.8
91.05465	9.8
93.07054	13.9
95.04974	9.0
95.08614	15.6
96.58398	4.4
97.02905	36.2
99.04453	49.7
103.03950	79.4
105.07054	28.2
107.08593	21.8
109.02888	14.9
109.06519	5.2
109.36193	4.7
117.06980	5.7
119.08582	41.1
120.08102	26.4
120.16834	4.4
121.06487	5.1
121.10139	20.3
123.08080	17.6
127.03924	100.0
131.08588	30.1
133.10126	29.0
135.08049	14.7
135.11728	5.7
145.04956	48.9
145.10178	9.4
147.11653	8.6
149.13274	5.4
158.10951	11.8
161.13261	50.3
163.05965	27.9
163.14876	9.2
173.13283	86.5
179.14297	42.8
191.14293	87.8
209.15448	11.2
271.08115	7.6
307.10178	15.0
330.18121	4.8
550.19635	15.6
551.20215	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	550.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
56.05047	1.7
58.06601	1.8
58.86083	0.7
60.07886	1.4
60.08165	17.7
69.07053	1.9
69.69395	2.8
71.07384	8.5
72.45361	0.9
78.88748	0.7
81.07058	1.7
83.08629	1.6
86.09708	51.3
90.86871	0.8
95.08614	0.9
98.98445	4.4
104.10746	97.9
105.11066	2.0
109.10162	0.9
125.00014	28.3
184.07353	100.0
185.07700	1.5
318.95578	0.9
529.11407	0.9
532.37524	6.7
533.37476	1.0
550.38684	21.3
551.38947	2.6
552.65497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82404	1.4
61.05012	1.9
67.05503	3.1
69.07049	1.8
69.71773	7.7
70.06580	7.7
72.08151	1.6
79.05506	1.8
81.07046	2.6
84.08150	4.3
86.09696	4.6
95.08615	2.1
98.23365	1.8
100.11308	1.7
107.90562	1.6
120.08095	5.2
129.10246	3.3
144.49022	2.1
185.04239	3.4
212.22752	1.4
224.37852	1.8
245.07841	33.7
267.08511	3.9
329.08423	100.0
438.19971	2.3
489.31870	2.1
507.32938	7.8
551.17346	44.7
551.24426	4.4
551.31390	10.5
552.17615	3.5
571.25476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
64.67010	1.3
69.07059	2.8
70.06583	6.6
71.30464	1.8
72.08150	7.3
78.24173	1.2
79.76307	1.2
81.07045	3.1
84.08129	3.5
85.02899	2.1
86.09151	1.6
86.09667	6.5
95.08612	1.9
104.10722	4.2
107.08600	2.0
110.07156	1.9
120.08100	5.5
124.99955	2.2
129.10223	2.4
184.07301	4.5
185.04192	2.7
241.08496	2.4
245.05359	1.6
245.07869	31.5
263.13870	1.6
267.08328	2.7
267.62323	1.3
311.07413	2.0
313.29022	1.3
314.27005	1.2
329.08432	100.0
330.08826	3.4
383.59341	1.5
438.20218	1.9
489.31772	1.8
507.33121	7.1
551.17255	59.7
551.30652	6.5
552.17700	5.7
552.30817	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2098
Annotation	SC-1
Peak:m/z	Relative Intensity
54.21024	0.2
55.05510	0.3
60.63139	0.2
70.06593	2.3
70.28671	0.6
72.08163	1.4
81.07065	0.2
84.04504	0.3
84.08142	0.5
85.02917	0.3
86.09704	0.8
89.30492	0.2
91.05510	0.3
95.08637	0.2
97.98783	0.2
98.90688	0.2
119.04973	0.3
119.91508	0.2
120.08112	0.5
127.03921	0.2
129.10246	0.4
137.09662	0.2
140.04491	0.2
147.05630	0.2
159.09085	0.2
174.59602	0.2
175.03990	0.2
181.17339	0.2
185.04167	0.2
193.26056	0.1
207.06523	0.5
213.08928	0.7
229.34047	0.2
245.11485	0.9
267.08267	0.2
285.09427	0.3
287.07367	0.2
302.49387	0.2
311.07364	0.3
329.08487	1.0
347.09573	0.5
388.70450	0.2
389.15637	0.2
407.16763	3.6
407.21628	0.3
408.16925	0.3
449.17749	1.1
471.19675	0.5
474.18759	0.4
489.20938	11.5
490.21371	0.9
491.18869	5.2
492.19101	0.2
533.19788	0.7
550.39453	0.3
551.20947	100.0
552.21283	7.0
552.30035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32809	0.3
55.05518	2.4
56.05036	3.4
57.03416	0.4
58.06586	0.4
64.57115	0.3
67.05489	0.7
70.06597	5.5
70.43743	0.8
70.44083	0.6
72.08157	25.7
73.08488	0.4
74.06082	10.6
82.76762	0.3
84.04037	0.7
84.04501	7.7
84.08144	64.3
85.02938	0.5
85.08459	0.6
86.09693	1.6
87.05580	0.4
91.05482	0.4
98.06040	1.0
101.10791	1.7
105.07024	1.0
110.07168	1.4
110.09652	0.4
111.09211	1.3
112.07635	0.7
112.08721	0.9
114.10278	0.6
115.08686	0.6
117.03393	1.0
120.08105	2.8
127.08720	0.7
128.10684	0.4
129.10240	100.0
130.05032	0.5
130.08644	0.8
130.10579	1.8
133.06552	0.8
133.07462	0.4
136.07587	1.0
138.09128	0.6
139.08681	1.4
141.10233	0.5
145.02872	2.3
146.06018	0.4
147.11319	1.2
151.08763	0.5
155.08191	0.9
155.11859	1.0
157.09763	5.1
157.10913	2.3
161.05997	1.7
166.08656	0.4
167.11847	0.7
169.09738	0.4
177.05478	3.7
177.10268	0.7
185.12827	1.9
186.12593	1.1
193.08708	1.5
194.13007	0.4
195.11395	1.0
196.10864	0.9
212.13950	5.6
213.12469	1.4
230.15002	25.6
231.15395	1.2
240.13437	0.6
248.16325	0.6
258.14432	2.7
277.15662	1.2
294.18134	9.3
368.22818	2.1
386.24222	1.0
395.22882	6.3
395.27353	0.5
396.23511	0.5
404.25421	1.0
515.30414	0.5
516.28979	0.9
533.31586	1.1
551.32489	20.9
551.80066	0.5
552.20972	0.6
552.33160	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	551.3191
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
51.82719	0.8
63.90920	1.0
66.11774	0.9
67.05518	2.4
70.69441	1.0
72.83355	1.0
76.82030	1.1
79.05505	1.1
81.07062	2.7
88.57366	0.9
95.08610	1.6
98.23396	1.6
127.01151	0.9
185.04185	6.6
198.97484	2.9
227.97878	1.0
239.87970	1.1
254.32419	1.1
371.25555	97.7
372.25714	7.0
389.26642	30.6
390.27042	2.1
461.15433	1.1
533.30835	33.8
534.31567	2.7
551.31946	100.0
552.32349	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	551.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05841	6.8
57.07074	70.4
69.12282	18.7
69.12682	41.2
81.07072	9.9
86.78142	8.3
88.17360	7.6
89.47911	7.5
93.07061	8.2
95.08647	15.0
97.58430	7.2
99.56831	6.5
109.10181	11.3
111.30579	7.8
152.06200	7.3
251.04790	12.2
318.39197	9.1
327.07840	95.0
383.13919	32.8
387.27554	7.7
439.20178	39.5
495.26526	100.0
496.26910	10.0
550.62653	10.9
551.37134	14.1
551.49939	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05515	10.9
57.03442	12.2
57.07068	1.9
57.85745	0.9
59.04999	4.4
65.03940	2.7
67.05507	100.0
69.03777	1.6
69.04178	5.0
69.07074	8.3
71.04998	3.2
79.05493	20.7
81.07059	39.4
83.08626	7.7
84.04497	0.9
85.06554	3.6
91.05483	12.6
93.07045	23.8
95.04984	1.8
95.08608	24.1
97.06548	2.3
97.10174	1.2
102.05541	2.6
105.04539	0.8
105.07041	7.1
107.08603	11.9
109.10157	92.5
110.10505	2.8
111.08091	2.3
117.07037	2.9
119.08578	8.0
121.10139	9.1
123.11724	3.2
127.11214	2.6
131.08574	4.2
133.10179	3.8
135.11685	6.0
137.09666	2.7
137.13287	1.0
145.10141	3.0
147.11758	2.0
149.13284	2.8
155.10667	3.3
156.00029	0.8
159.11726	2.5
161.13312	3.5
163.14906	1.5
173.11758	19.8
173.13240	2.3
175.14935	0.8
182.90570	0.8
187.14801	1.3
200.12802	20.3
201.13161	0.8
201.16417	0.8
220.87648	0.8
229.14381	7.4
243.21101	3.0
256.15448	63.8
257.15826	3.1
261.22186	6.9
281.42963	0.8
283.66031	0.9
288.23318	1.1
317.24945	1.0
335.25790	58.8
336.26093	3.2
395.28363	0.8
489.35611	3.0
516.36865	12.9
517.37292	1.2
534.37598	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	551.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.70208	4.6
55.05501	13.2
57.03431	10.2
57.07053	5.4
59.04991	5.1
59.54574	3.6
66.94649	4.0
67.05502	100.0
69.07060	12.4
70.76736	3.6
70.77072	9.3
71.08607	4.3
76.11489	4.1
79.05478	22.0
81.07056	38.3
83.08609	5.9
84.72907	3.3
85.06558	3.8
87.11089	5.0
89.83914	3.3
91.05470	14.7
93.07025	24.0
95.08600	29.3
98.02280	3.7
105.07011	11.5
107.08581	17.5
109.10153	91.4
119.08575	8.4
121.10148	10.7
123.11723	7.5
131.08508	4.9
133.10095	3.9
135.11647	5.2
155.10706	5.0
173.11739	16.1
173.13167	3.9
187.14775	4.4
198.31374	4.4
200.12846	17.4
229.14427	10.9
256.15439	54.0
261.22177	9.6
335.25793	71.0
336.26172	4.7
402.35938	3.9
473.14944	4.4
489.36078	4.5
516.36700	15.7
534.38074	6.3
547.36951	4.7
551.32294	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	552.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19027	1.0
55.01862	1.5
57.03423	1.6
57.03753	1.1
61.02920	1.3
69.03432	2.1
69.20329	7.9
70.06594	1.1
81.03429	1.5
81.07065	1.3
82.67159	1.1
85.02885	5.4
94.04171	2.5
97.02878	1.8
103.05462	1.6
115.05467	2.2
122.03661	5.3
137.05980	100.0
138.06331	3.0
143.04956	1.3
145.04924	2.0
145.06467	3.3
149.48958	1.1
150.06703	1.4
159.04472	1.3
160.05159	1.8
161.05998	3.1
173.05960	2.9
175.07579	1.6
186.03099	2.2
194.07228	1.5
201.05516	5.6
205.06497	4.5
207.06503	8.5
219.06543	3.1
222.06804	5.2
231.06606	3.2
233.05972	6.3
234.06667	2.8
237.09093	4.2
247.07977	1.2
250.06348	2.8
262.06226	1.2
264.07800	1.6
265.08618	12.9
277.08539	3.7
278.05753	2.5
282.08719	1.5
283.09641	2.6
292.04483	1.2
292.07434	3.3
293.08170	10.3
297.11252	3.8
305.08090	2.8
307.09576	11.7
309.11172	2.6
310.08371	2.5
323.09167	1.9
325.10699	29.5
326.11142	2.1
337.10666	8.1
343.11783	26.4
344.12317	1.8
355.11710	11.9
357.05338	1.2
370.77359	1.3
484.85712	1.1
553.22327	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	552.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21978	0.9
61.02924	1.6
65.24900	1.0
69.03437	1.9
69.43597	5.1
70.06587	2.6
71.93834	0.9
78.92945	1.0
79.05483	1.0
82.12864	1.0
85.02909	9.6
91.03983	1.1
91.05481	1.3
94.04178	1.6
97.02877	1.3
109.02879	1.4
114.09208	2.2
115.05423	1.8
119.04932	1.3
119.08604	0.9
122.03653	4.9
127.03891	1.1
129.50719	0.9
131.05008	1.4
133.06451	1.5
133.10141	3.0
137.05978	100.0
138.06366	2.3
143.04935	2.2
145.04973	3.6
145.06467	2.2
147.04401	1.3
149.06042	1.3
150.06767	1.2
151.03859	1.9
156.22205	0.9
158.03633	1.1
159.04413	2.0
160.05219	2.7
161.05974	1.7
163.07571	1.2
173.05972	3.8
175.07556	4.0
177.07033	1.2
178.07852	1.0
186.03146	1.0
189.07031	0.9
194.07376	1.6
201.05426	10.2
203.07028	3.4
205.06566	7.3
206.07294	1.4
207.06488	7.8
207.08020	0.9
219.06581	4.1
221.06122	1.4
222.06705	5.1
231.06625	3.9
233.05992	7.7
234.06778	4.1
237.09109	7.9
239.07051	1.0
247.07518	2.6
249.05530	1.5
250.06215	7.5
251.06912	1.9
261.05450	2.3
262.06381	1.1
263.07117	1.2
264.07803	3.7
265.08630	22.9
266.09311	1.7
267.06512	1.4
268.07419	1.5
277.05167	1.4
277.08627	2.7
278.05807	4.9
279.06439	1.9
279.10196	2.2
282.08884	1.5
283.09698	3.9
292.07202	7.5
293.08075	16.4
294.08807	2.6
295.06000	1.2
297.11264	5.0
305.08057	3.0
307.06311	0.9
307.09634	19.2
308.10117	1.0
309.11203	2.5
310.08356	2.9
323.09045	2.2
325.10703	60.8
326.11035	4.4
337.10654	8.5
343.11765	37.3
344.12234	1.9
355.11774	12.4
373.12949	1.2
552.31238	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.05017	0.9
58.06592	0.5
60.08165	7.6
67.05499	0.8
69.07071	0.6
70.06583	2.1
71.07376	3.8
71.30302	0.8
72.08149	5.3
79.05511	0.9
79.94791	0.5
81.07051	1.4
84.08136	0.5
85.02886	0.7
86.09705	32.4
87.10022	0.8
91.05489	1.6
93.07038	0.6
95.08615	1.2
98.98447	3.0
102.09151	0.6
104.10732	4.2
105.07007	0.6
107.08570	1.0
109.10183	0.5
110.07148	0.6
113.64478	0.5
117.07005	0.6
119.08598	0.6
120.08115	3.7
121.08451	1.2
125.00007	22.4
127.03932	0.6
129.10194	0.5
137.05939	0.9
143.08548	0.5
175.97113	0.6
184.07339	100.0
185.07602	1.0
204.11981	0.5
263.13864	0.8
321.11655	0.5
372.25369	1.1
390.26309	1.8
411.20978	1.3
438.20306	1.0
439.20737	2.4
470.29034	0.5
508.33032	1.5
534.28186	1.0
552.29333	7.9
553.21936	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	552.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	3.5
55.05507	3.1
57.03444	6.0
57.07066	1.7
61.02930	8.7
67.05496	5.0
69.03078	1.7
69.03431	18.4
69.07064	6.6
70.06590	4.3
71.04992	2.6
71.30161	1.0
72.08142	4.2
73.02905	2.7
74.84106	0.9
79.05495	4.3
81.03429	5.9
81.07055	12.5
83.08615	2.8
84.08141	1.5
85.02905	100.0
86.09740	1.5
87.04458	2.8
91.03957	4.5
91.05473	6.4
93.07047	11.5
95.08608	17.4
96.08116	1.8
97.02892	25.9
97.06485	1.4
99.04453	3.7
105.07030	15.4
106.07341	1.3
107.04959	1.9
107.08597	7.5
109.02883	9.2
109.06547	1.4
109.10149	7.2
110.07167	2.1
110.09645	1.0
111.08081	3.1
115.03989	1.9
115.07516	1.1
119.08578	25.5
120.08104	1.5
120.08908	1.0
121.10155	4.3
123.08062	1.6
123.11716	1.8
127.03917	24.3
128.04208	1.0
131.08585	1.2
133.10138	15.9
135.11684	9.6
137.09605	2.8
137.13261	5.9
139.00235	0.9
145.04961	42.0
147.11708	6.7
149.00029	0.8
149.13278	2.6
153.60590	0.9
159.29659	1.0
163.06026	14.2
163.14825	23.5
165.16396	1.4
175.14821	50.8
176.15137	2.1
181.15836	1.9
184.07312	0.9
193.15886	45.4
194.16266	1.4
211.16927	27.7
212.17285	1.3
214.45401	1.0
278.10526	1.2
289.09366	1.9
339.13358	4.2
355.12576	1.4
367.12576	2.4
412.55356	1.0
520.20685	6.9
552.31512	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05498	1.9
56.05023	1.5
57.03428	0.7
57.07070	1.0
58.06598	0.9
67.05499	2.6
69.03428	0.9
69.07066	6.4
70.06590	12.3
70.47755	1.1
72.08153	7.5
74.06085	4.0
79.05477	1.5
81.03413	0.7
81.07046	2.3
83.08611	1.8
84.04501	1.9
84.08152	3.9
85.02899	3.1
86.09703	8.6
87.05589	1.5
91.05471	3.4
93.07037	2.2
95.08596	6.5
98.06030	0.5
101.07188	0.6
103.05463	1.3
105.07025	8.2
107.08567	3.7
109.10157	6.2
110.07162	3.1
111.07461	0.5
113.07141	1.2
115.05032	1.1
117.07026	1.0
119.08579	29.4
120.08105	17.6
121.02856	1.0
121.08434	5.1
121.10143	1.7
127.03944	1.0
128.10739	0.5
129.06560	0.6
129.10252	2.0
131.08345	0.6
132.08072	1.0
132.10219	1.2
133.10124	26.6
134.10419	0.7
135.11710	2.2
136.07588	3.4
137.09607	2.3
141.10185	0.6
145.10118	2.1
147.07629	0.7
147.11697	3.1
151.14777	1.0
159.07611	0.9
160.12431	1.3
163.03871	0.6
173.13153	1.3
175.14819	100.0
176.10687	0.9
176.15128	3.8
177.16393	0.8
193.15878	12.8
194.16196	0.6
198.08810	0.8
200.16542	0.6
204.13379	0.5
205.09706	1.4
221.12628	0.6
233.14980	1.4
255.10802	0.8
272.16013	0.8
273.16409	0.7
330.18576	1.1
354.26596	0.7
372.27063	0.9
374.26059	0.6
375.18521	0.6
387.20676	0.6
390.28372	1.8
403.18045	1.3
421.18826	0.8
534.26923	1.2
552.26691	1.6
552.33765	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	552.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01877	1.5
55.05513	1.7
55.81531	0.5
56.05037	3.4
57.03432	2.7
58.06610	3.9
60.04554	0.5
61.02929	1.5
67.05512	6.8
69.03432	11.8
69.07074	2.4
70.06593	13.2
70.06960	1.0
71.04999	2.5
71.29634	1.0
72.08159	71.8
73.02896	0.9
73.08499	0.9
74.06091	0.8
79.05499	3.5
81.03424	3.1
81.07062	12.1
81.07525	0.8
83.04993	1.0
83.08603	1.3
84.04523	2.0
84.08138	7.6
85.02914	13.9
85.03438	0.9
85.06561	2.4
86.09707	13.7
87.04481	1.5
87.05630	0.7
87.62250	0.5
88.04002	0.6
88.07652	0.9
88.53477	0.6
91.03986	1.2
91.05479	3.6
92.76889	0.5
93.07067	2.3
94.97648	0.5
95.04977	0.7
95.08611	7.6
96.08173	0.6
97.02906	4.2
97.06551	1.8
99.04455	2.8
99.08126	0.8
101.02382	0.7
102.05560	1.4
102.09185	48.6
103.03954	0.7
103.09496	0.7
105.07022	5.0
107.04974	0.8
107.08594	2.9
109.02917	2.0
109.06554	1.8
109.10199	1.3
110.07165	6.0
110.95485	0.6
111.04449	12.9
112.04831	0.6
115.08817	0.6
117.07036	0.7
119.04903	0.7
119.08579	4.6
120.08135	3.8
121.10156	2.7
123.08190	0.6
123.11720	1.5
124.11214	1.1
125.05971	1.0
127.03945	3.1
129.10281	2.2
130.89194	0.6
131.08572	1.0
133.10124	5.5
135.11752	1.6
136.07585	3.4
137.09729	0.8
141.10173	0.6
143.11841	0.9
145.05016	2.4
145.10187	0.8
147.11734	1.6
156.07684	3.4
159.09221	1.2
161.13303	1.1
163.06076	1.2
163.07533	0.9
165.06967	0.8
167.07016	0.6
169.13503	0.8
171.11371	0.7
175.14816	7.1
176.15211	0.7
183.08076	0.8
193.16054	0.8
205.09975	0.6
211.07785	0.7
212.10509	0.7
215.13995	0.8
229.08701	0.9
251.10411	1.4
257.08121	1.6
263.20157	0.8
269.16183	1.0
279.09949	1.3
289.10687	5.2
291.19629	1.4
309.20740	1.8
326.27072	0.9
354.26535	1.3
372.27573	3.3
390.28491	38.3
391.28983	2.0
482.70782	0.5
491.22220	1.0
516.31128	1.3
534.32745	10.4
535.33679	0.7
552.33893	100.0
553.22565	8.1
553.34619	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14941	0.7
54.43622	0.7
56.05033	1.3
57.07079	3.3
58.06594	1.9
60.08163	18.9
67.05503	1.9
68.69088	0.7
69.07060	1.2
71.07368	5.6
71.08635	3.4
81.07041	2.2
81.94921	0.7
83.08604	0.9
85.10189	1.3
86.09702	48.3
91.05459	0.9
93.03720	0.7
95.08589	2.3
95.88207	0.7
98.98447	5.0
101.89291	0.7
104.10741	100.0
105.11040	1.2
109.10117	0.9
123.11635	0.9
124.99996	28.8
126.31659	0.7
143.01053	0.8
145.84134	0.8
156.47446	0.7
184.07336	94.0
185.07629	1.4
215.74164	0.6
229.36537	1.2
256.36035	0.7
258.11093	2.0
277.85535	0.8
369.33575	2.2
371.12671	0.8
534.39124	6.0
542.65033	0.8
552.40320	31.1
553.21942	0.7
553.40833	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	552.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.1
57.03443	16.1
59.66724	7.6
67.05508	87.2
69.07063	29.0
71.22301	10.7
79.05476	44.2
81.07057	100.0
83.08623	15.2
91.05476	42.5
93.07034	45.7
95.08622	60.7
97.06496	9.8
105.07025	60.9
107.08586	20.8
109.10136	31.3
109.96775	9.4
110.69463	7.0
119.08571	30.5
121.10131	30.1
131.08588	17.0
133.10158	24.3
135.11697	7.6
145.10167	13.2
147.11674	28.1
149.13306	8.8
165.12781	18.1
171.11565	9.8
173.13240	12.6
175.48778	7.7
180.04173	6.9
239.16391	24.1
259.20551	7.4
270.62292	8.8
335.25699	39.5
354.47366	7.5
395.86041	7.7
425.34042	13.7
499.37714	19.9
517.39044	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	552.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24204	3.6
55.05507	16.9
57.03447	6.3
57.07077	6.6
67.05510	58.1
69.07071	25.1
69.35454	24.7
71.05029	6.8
72.17512	3.4
79.05501	32.7
81.07058	100.0
82.07373	4.1
83.08630	4.0
85.06542	10.9
91.05475	18.3
93.07030	26.8
93.19411	5.1
95.08605	72.4
96.77749	3.5
96.78545	4.1
105.07050	16.2
107.08578	9.6
109.10174	11.7
119.08580	11.1
121.10133	6.6
123.11728	6.8
135.11719	12.1
147.11760	19.5
153.69601	3.6
165.12767	5.9
201.14813	6.0
232.74869	4.4
257.17462	71.7
258.18008	6.2
261.22083	12.2
262.25385	11.4
262.49304	4.0
284.66910	4.2
335.25824	78.7
336.26160	5.7
351.58655	4.6
384.92517	4.2
517.38892	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.8
57.07082	30.2
69.07074	5.2
71.08643	30.7
71.29096	2.7
73.06562	6.9
78.63707	1.8
81.07048	2.7
82.52103	1.9
83.08630	5.8
85.10187	21.2
89.06041	100.0
90.06407	2.2
91.05820	5.0
97.10175	6.5
99.11771	3.5
107.07091	3.8
111.05552	1.9
111.11717	3.5
117.09125	4.5
130.78879	2.0
133.08624	45.4
177.11227	16.5
221.13861	2.6
221.62160	2.1
225.04242	3.7
262.04523	2.1
262.25354	2.8
283.17487	10.2
299.06161	3.9
322.67200	2.1
341.34189	5.7
355.07080	5.6
387.50912	2.2
444.51837	2.0
513.48132	2.0
535.45587	8.3
552.49725	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	552.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.05510	4.8
56.05042	2.3
57.07083	2.8
60.04516	3.0
65.03918	1.2
67.04276	0.9
67.05505	11.7
69.07064	6.6
69.09608	0.7
70.06579	1.3
71.08630	1.5
79.05479	8.5
80.05031	1.9
81.05799	1.3
81.07051	10.1
82.06583	7.0
83.08611	4.4
85.10191	0.9
91.05483	8.5
93.07037	9.6
94.06566	16.1
94.07116	1.7
95.04932	0.9
95.07365	7.3
95.07902	0.9
95.08096	0.9
95.08604	7.9
96.08125	5.7
97.10188	2.3
98.23385	1.8
105.07019	4.5
107.08583	4.7
108.08115	3.1
109.10156	3.7
111.11749	0.9
119.08587	5.0
121.10152	6.8
122.09673	2.2
124.22234	0.9
133.10141	2.9
135.11711	2.6
147.11717	1.0
149.13280	1.8
233.22719	2.7
245.22691	3.7
250.25307	9.6
262.25296	100.0
263.25653	4.9
272.25851	4.5
279.52551	0.9
280.26352	9.4
358.64954	0.9
504.47644	2.6
516.47723	7.0
534.48657	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	552.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18386	20.0
71.30089	20.6
94.06567	36.8
167.02856	17.2
258.79419	16.6
262.25308	100.0
306.86127	19.3
386.88638	25.7
447.45313	17.1
516.47174	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	553.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05486	1.1
56.96563	1.7
58.40400	1.0
58.99858	5.7
68.42443	0.9
68.98293	2.0
69.03427	2.9
70.06598	3.3
71.00225	1.2
71.00547	1.1
72.08163	1.2
77.00906	4.2
81.03409	4.4
83.04946	1.3
84.08128	2.3
85.02907	5.2
86.09702	1.2
86.99327	2.5
87.50600	1.1
89.00943	1.1
93.09723	1.0
97.02884	4.2
98.97577	2.5
101.00883	20.2
102.62740	1.2
103.02444	1.4
105.00350	2.7
109.02892	2.2
113.00856	6.4
115.02446	6.7
117.03388	2.0
119.01926	34.6
120.08107	1.1
122.78030	1.0
127.02409	3.3
129.04021	1.4
129.10210	1.5
131.01906	23.6
133.03473	6.0
135.04401	6.4
136.06157	3.4
137.00891	1.7
137.02983	2.5
139.02428	2.1
141.03990	6.3
143.01909	11.4
144.01811	1.2
145.03551	24.7
147.01401	2.3
147.05064	1.1
149.02945	2.4
153.03947	1.3
155.01903	27.2
156.02742	6.4
157.03493	13.9
159.05037	8.1
161.02942	15.2
163.03877	48.0
164.04253	1.3
167.01923	7.8
169.03468	1.7
171.05003	1.8
173.02953	30.0
174.03165	1.5
175.04532	8.5
177.02463	1.4
177.06126	5.8
179.05492	1.2
181.03452	3.3
183.05032	7.4
185.01199	1.1
185.02963	30.8
186.03200	1.2
187.08107	1.0
191.02051	1.2
191.03912	1.5
193.03465	5.5
195.05032	7.3
197.06615	3.8
197.75211	1.0
199.04503	19.9
199.08192	1.8
200.04849	2.0
201.06067	4.5
203.02170	1.9
203.04007	36.0
204.04236	2.5
207.04967	2.5
209.02934	7.3
209.06555	2.0
211.04526	4.4
213.06099	4.6
219.04932	2.2
221.02945	46.4
221.05075	63.9
222.03171	2.6
222.05318	2.8
223.04568	2.9
225.06082	6.7
227.03998	24.8
227.07629	2.8
228.04019	1.3
229.02017	1.7
229.05518	2.2
235.04463	5.0
237.06070	7.8
239.04015	21.1
239.06288	1.5
240.04268	1.7
241.05511	2.0
243.07137	1.1
245.02977	2.1
245.05090	23.9
246.05225	1.7
247.02946	1.6
251.04010	6.3
253.01930	2.4
253.05553	3.3
255.07185	1.4
257.05057	21.6
263.03992	9.8
263.06354	1.7
264.04355	1.4
267.07071	3.0
269.05093	9.5
271.02969	22.3
271.06329	1.5
271.55292	1.0
281.05124	6.6
283.03610	0.9
283.06616	25.2
285.08401	7.9
286.08353	1.4
287.06049	2.3
289.04053	2.7
293.04974	1.4
295.03009	9.2
295.06100	1.9
301.04803	2.0
301.07666	6.7
307.03033	3.5
307.06546	1.4
311.02621	2.0
311.06113	26.3
312.06238	1.9
313.04044	6.2
317.05264	2.6
319.06604	4.2
321.08188	2.1
325.03897	2.5
329.07184	100.0
330.07507	9.0
347.06046	5.8
347.08231	6.8
352.08731	2.3
355.05069	18.6
365.07159	25.0
366.07281	2.4
373.06152	98.3
374.06351	8.6
383.08310	5.7
391.04938	5.6
409.06293	5.9
412.31958	1.1
470.30682	1.3
535.09833	1.4
553.10114	3.2
553.25348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.96575	1.9
57.02994	0.6
67.05503	0.9
69.03412	1.6
69.20253	4.6
70.06586	3.7
72.08156	6.9
81.03423	0.8
81.07059	1.4
84.08109	0.7
84.96066	0.8
85.02902	1.6
86.09710	2.9
91.05468	1.2
92.53809	0.6
95.04969	1.7
97.02888	0.6
98.23413	1.1
98.97585	8.8
107.08609	1.0
109.02866	0.8
110.07194	0.8
110.97599	1.2
116.07098	0.7
116.98642	3.0
119.08611	0.8
120.08121	2.0
125.09625	1.7
127.03922	1.3
128.98607	1.2
133.10074	0.6
134.99699	0.8
137.05969	0.9
144.83556	0.8
158.99754	0.7
211.16962	1.0
219.01753	1.5
237.02806	3.2
247.09474	5.2
247.12997	0.8
265.11148	1.9
283.12222	2.2
285.09467	0.9
287.07169	0.9
289.11105	1.6
307.12109	6.9
325.13269	1.7
329.08511	2.0
347.09503	2.4
349.13397	1.1
405.21085	0.7
409.15009	11.1
427.16397	3.4
438.39587	0.7
451.16205	6.3
452.16406	0.8
473.21170	0.9
488.70865	0.7
491.22507	4.9
493.19843	2.0
535.21466	1.5
553.21185	100.0
554.21497	8.8
554.33386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05511	1.3
56.05038	1.1
56.73213	0.7
56.96560	2.2
64.63915	1.0
67.05495	1.8
69.03411	2.9
69.07060	2.0
70.06595	8.1
71.29670	1.0
71.30076	1.6
72.08157	22.2
79.05477	1.9
81.03410	1.6
81.07060	2.2
83.08607	0.9
84.04488	0.9
84.08110	2.2
85.02899	4.4
86.09701	4.4
91.05476	2.5
93.07037	1.7
95.04971	19.8
95.08588	1.5
97.02880	1.7
98.09612	0.9
98.97613	2.2
99.04463	1.2
100.11234	1.3
102.09160	3.4
105.07023	1.6
107.04942	2.8
107.08591	1.0
109.02814	1.2
109.10169	1.2
110.07175	1.8
116.98602	1.0
119.08558	1.6
120.08109	3.0
121.10143	0.9
122.09663	1.2
127.03898	2.7
128.10760	1.9
129.07002	1.0
131.00154	1.1
133.06529	1.5
133.10146	1.6
144.21062	0.9
145.10088	1.2
167.05536	0.8
182.15521	1.2
193.74408	1.0
194.98174	1.1
195.31844	1.0
247.10004	1.5
265.11148	2.2
289.11148	8.8
307.12143	2.0
329.20987	1.2
331.12204	2.0
347.09598	1.8
372.25168	1.3
374.27057	4.2
390.26489	1.9
391.26556	2.0
392.27829	3.1
467.50629	0.9
491.22565	1.8
493.18768	1.6
536.32178	2.6
553.20618	100.0
553.33282	9.0
554.20709	8.0
554.33380	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	553.2252
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
54.17699	0.2
68.91002	0.3
71.07281	0.3
71.07605	0.4
72.08155	0.3
105.06985	0.4
107.08604	0.4
109.06595	0.3
112.96958	0.3
119.08569	0.9
133.10046	0.4
147.11688	0.8
185.04254	0.4
189.12645	0.3
203.05247	0.4
207.13840	0.6
208.38667	0.3
247.13043	0.9
285.09396	2.8
287.07391	1.6
329.08459	0.9
347.09454	16.1
348.09775	0.7
391.17261	1.2
405.63101	0.3
409.18268	4.2
433.18216	0.4
451.19205	1.1
473.21268	2.5
474.21362	0.3
475.19446	1.3
491.22464	9.7
492.23123	0.6
493.20325	4.4
535.21466	4.8
536.22021	0.4
553.22504	100.0
554.22772	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	553.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13816	0.3
55.05517	0.6
56.05050	0.5
67.05518	0.6
69.03423	0.6
69.07074	0.7
70.06594	6.3
70.34045	0.8
72.08153	4.0
72.31545	0.3
81.03425	0.4
81.07066	0.4
84.04520	0.8
84.08153	1.8
85.02914	1.4
86.03298	0.3
86.09708	2.7
88.20547	0.3
91.05470	1.2
91.77168	0.3
93.07030	0.7
95.08614	0.7
97.02880	0.6
102.09225	0.5
105.07021	0.9
107.04984	0.3
107.08614	0.5
109.02887	0.4
109.10174	0.3
110.07177	1.2
111.04474	0.4
113.45767	0.3
117.03419	0.4
119.08614	1.6
120.08109	1.0
121.10133	0.3
123.04404	1.0
124.11276	0.5
127.03896	0.5
129.10249	1.0
133.10156	1.2
134.10481	0.5
135.04396	0.6
135.11696	1.4
136.07587	1.0
142.12292	0.8
145.02823	0.4
145.04971	0.8
147.11729	0.4
154.05844	0.3
161.13202	0.4
163.03911	5.1
175.14845	1.8
176.15192	1.3
184.72469	0.3
185.04286	0.7
189.12848	0.4
203.05321	0.9
213.12668	0.3
251.10287	0.3
257.06104	0.3
275.16064	0.4
285.09451	4.2
287.07385	2.1
290.10565	0.5
329.08551	0.7
345.07990	1.2
347.09512	6.7
391.28598	0.3
409.18338	1.4
464.26239	0.3
491.22501	9.1
492.22568	0.6
493.20801	0.8
534.32825	0.4
535.21698	1.4
545.54730	0.3
552.33459	0.6
553.22498	100.0
554.22852	8.1
554.33075	5.6
578.05597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2256
Annotation	Tinosposinenside A
Peak:m/z	Relative Intensity
51.72842	0.2
69.22755	1.3
69.23170	0.6
70.06606	0.7
72.08158	4.9
72.08544	0.4
73.08488	0.5
84.08113	0.4
85.02904	0.6
86.09747	0.3
86.90837	0.2
91.05489	0.6
93.07047	0.3
95.04973	9.1
97.02868	0.3
100.11269	0.4
102.09207	1.1
105.07006	0.4
117.07049	0.4
120.08085	0.3
122.09645	0.4
141.07040	0.5
183.11760	0.3
185.04181	0.4
205.11691	0.3
247.13210	0.4
285.09525	1.1
287.07629	0.5
326.39081	0.2
329.08441	0.6
338.24719	0.4
347.09589	1.0
356.25897	2.2
374.26941	3.1
391.17450	1.1
391.26935	0.6
392.28046	1.1
409.18286	5.6
410.18631	0.3
451.19308	1.2
473.21301	2.2
475.19302	0.9
491.22507	10.1
492.22852	0.6
493.20486	6.9
535.21667	3.5
552.44897	0.5
553.22571	100.0
554.22906	8.7
554.33154	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	553.2776
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
51.25486	1.4
67.73234	1.5
98.22653	3.6
98.97631	1.8
116.98536	1.6
130.61981	1.2
131.00162	1.4
158.99678	1.8
293.05515	1.6
317.17822	3.6
531.78693	1.3
553.27747	100.0
554.28156	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	553.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26113	1.8
60.64763	1.5
69.43382	12.3
70.82766	1.6
91.89001	1.6
98.97585	2.5
103.05326	1.8
137.11038	1.8
166.77782	1.9
217.28879	1.8
249.74873	1.9
350.09729	2.1
553.27722	100.0
554.28082	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	553.2982
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
54.65512	0.3
56.17340	0.3
67.05499	0.4
71.29956	0.6
73.73373	0.3
76.66926	0.3
80.66088	0.3
81.07069	0.4
102.82422	0.4
141.32813	0.4
203.05266	0.5
210.17758	0.3
259.07962	0.5
391.24701	0.7
471.21982	0.4
553.29828	100.0
554.30157	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	553.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06513	0.7
93.57917	0.6
107.60894	0.7
118.27383	0.7
120.08150	1.0
150.30948	0.7
157.04964	0.7
203.05307	0.9
215.43288	0.8
255.59969	0.7
391.24768	1.4
553.29828	100.0
554.29999	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	554.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.0
54.03287	1.3
55.01869	4.7
55.05503	1.9
56.05028	4.1
56.32392	1.7
57.03443	2.4
60.04517	2.5
61.02939	4.4
64.08267	1.5
67.05500	1.9
69.03423	6.5
69.07066	2.7
70.06593	41.6
71.04992	1.3
71.06917	2.8
71.29632	2.2
72.08157	43.6
81.03405	1.9
83.06071	1.4
84.04507	10.6
84.08139	9.8
85.02906	26.5
86.09705	19.8
88.04016	1.7
91.05502	2.5
93.07053	2.9
95.08595	2.2
97.02886	5.7
98.06014	1.7
102.05527	3.9
102.09188	1.6
107.04925	2.7
109.02881	4.2
110.07159	11.1
113.02363	54.3
115.08719	1.6
119.04963	2.5
120.08096	7.0
123.04412	10.4
127.03931	5.6
129.10240	5.3
130.06526	12.1
132.08054	9.2
135.04454	5.5
136.07590	15.2
137.02333	2.2
139.05035	2.9
143.11765	2.5
145.04973	4.7
157.06032	8.0
159.09183	6.6
163.03944	6.5
165.05437	2.4
167.03479	2.9
170.06023	2.4
173.12849	2.0
175.04079	2.0
180.08730	4.1
181.06323	3.1
182.08168	4.6
183.14955	2.1
187.08762	2.2
193.09703	4.0
195.02722	1.8
195.06499	2.0
195.08122	4.1
205.06476	16.6
223.07556	14.6
227.06950	2.7
233.06036	13.6
234.06616	2.8
237.05476	1.7
239.10254	6.3
241.08643	3.0
245.08170	3.4
251.07018	48.8
252.07425	2.5
255.06775	1.8
261.05515	8.4
263.07220	1.9
269.08072	42.5
270.08353	1.9
279.06506	80.8
280.06918	5.7
288.13425	4.6
289.05005	4.9
297.07568	100.0
298.08011	4.3
298.11850	6.2
307.05997	25.4
308.06406	2.1
309.04715	1.6
325.07062	68.8
326.07330	5.9
357.09686	60.5
358.09991	3.2
374.28854	3.6
383.54578	1.6
392.29956	6.6
412.09174	1.5
536.34442	7.5
547.82776	1.5
554.27295	5.0
554.35852	25.3
554.81433	3.4
555.24170	6.5
555.35419	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	554.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10940	3.8
63.01351	4.4
68.99239	3.5
68.99583	38.7
69.03425	4.7
70.06590	27.2
72.08173	5.4
79.05453	3.5
81.03423	7.1
84.08176	4.5
85.02908	8.0
86.09717	5.6
97.02905	5.1
98.22533	7.7
102.09052	3.8
102.77638	3.7
103.05468	4.0
105.07005	5.3
109.02853	5.6
119.04964	4.0
119.59048	3.6
127.03967	6.6
129.07001	5.7
131.04927	15.6
137.05981	100.0
137.07042	4.9
145.88533	3.9
151.03926	18.2
155.04872	6.8
161.05943	6.1
163.07523	21.3
183.04373	8.0
187.07544	9.6
189.05438	6.5
200.04689	9.7
207.06602	16.3
215.07018	39.2
227.72606	3.7
233.08052	40.3
321.11237	29.5
339.12259	62.6
340.12372	7.0
357.13263	6.6
554.23102	10.8
554.33008	12.5
555.23053	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	554.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80482	0.6
55.05492	1.5
56.05020	2.1
57.05824	0.8
59.97901	0.6
60.04517	1.9
62.84962	0.6
65.10532	0.5
67.99080	0.5
69.06724	0.9
69.07070	8.3
69.48466	3.5
70.06595	7.3
72.08157	13.9
74.06088	1.1
75.05598	2.1
75.68012	0.6
82.05341	0.6
83.06098	5.0
84.04498	1.6
84.08151	2.6
85.02915	1.4
86.06042	0.6
86.09704	100.0
87.10040	2.0
89.03921	0.8
93.04534	3.9
95.06081	4.5
98.22646	1.2
102.05546	1.4
110.07162	75.7
111.07500	0.9
112.03957	11.2
112.08713	0.9
114.57211	0.7
115.08701	0.7
116.07059	0.7
117.03391	1.1
124.81322	0.6
129.10225	1.1
136.07594	0.9
139.05023	1.3
141.06615	1.2
143.11801	8.5
145.02837	2.5
153.75967	0.7
156.07681	86.7
157.08076	1.3
163.03914	3.1
166.06184	1.4
169.06033	5.5
169.07127	0.5
177.05453	7.2
186.08585	0.7
187.07167	0.9
195.06502	4.0
200.09323	0.6
200.14037	1.1
209.14032	0.9
237.13435	3.8
254.14969	3.0
255.14497	22.7
256.14862	0.9
259.09619	0.7
272.16052	10.3
300.15509	26.3
301.15979	0.9
302.15134	0.7
371.22937	0.9
399.22397	4.0
425.24936	1.4
508.29532	0.7
518.26202	0.8
536.28381	2.1
553.79510	3.2
554.29346	39.5
555.29529	4.6
561.22156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01855	0.6
55.05505	0.4
56.05035	0.7
57.03440	0.7
57.05791	0.3
58.06599	1.2
61.02931	0.3
65.03941	0.9
67.05499	2.3
69.03422	1.5
69.66281	1.1
70.06592	3.1
71.04993	0.5
72.08154	24.1
72.89254	0.2
73.08472	0.3
79.05486	0.6
81.03428	1.1
81.07043	1.1
83.04977	0.4
84.08138	2.0
85.02904	2.2
85.06516	0.3
85.08930	0.6
86.06032	0.4
86.09708	0.8
87.04452	0.4
91.04905	0.3
91.05482	5.9
92.65542	0.3
93.07054	1.0
95.04967	100.0
95.08603	0.6
96.05303	2.3
96.08136	0.7
97.02868	1.4
97.06524	0.4
98.09682	1.2
99.04471	0.4
100.11286	0.6
102.09176	11.4
103.09504	0.4
105.07035	1.0
107.08596	0.5
109.06506	0.6
110.07191	0.3
111.04492	0.4
115.05480	0.8
117.07016	5.0
118.07330	0.4
120.08112	0.7
122.09663	3.3
123.04417	0.8
123.10455	0.9
124.11262	0.5
127.03922	0.8
127.07620	0.3
127.08732	0.2
129.07021	1.2
131.08566	0.8
140.10695	1.4
141.06993	3.2
142.12299	0.3
143.08586	1.3
149.06004	0.4
149.09621	0.3
155.08542	0.7
157.10129	0.9
159.09261	0.3
167.08556	0.5
168.05089	0.3
183.11665	1.6
185.13168	0.5
213.12686	0.3
235.14990	0.4
311.20020	2.3
313.21716	0.4
338.24768	3.2
356.25812	21.5
357.26202	1.5
374.26886	25.4
375.27179	1.7
392.27924	10.0
393.28378	0.8
409.18311	0.6
410.18765	0.7
412.13867	0.3
414.45898	0.3
474.21738	0.3
476.19489	0.4
492.22916	2.5
494.20676	1.4
536.21771	1.2
536.32117	3.2
537.23315	0.3
537.32007	0.3
554.22791	28.8
554.33051	38.6
555.23273	3.5
555.33447	3.5
581.99298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20178	0.2
50.94190	0.2
53.03937	0.7
55.01866	0.8
55.05506	0.5
56.05025	0.9
57.03444	1.4
58.06596	1.5
61.02930	2.0
65.03938	0.8
67.05508	2.0
69.03431	6.7
69.41097	0.7
69.41511	0.6
70.06590	2.3
71.01344	0.4
71.04984	0.7
72.08163	1.8
73.02914	1.2
73.43735	0.2
77.18867	0.2
79.05496	1.1
81.02962	0.4
81.03410	2.8
81.07064	0.7
82.66627	0.2
83.01329	0.3
83.05002	0.3
83.08627	0.6
84.08150	1.7
85.02902	11.1
85.08913	0.9
86.09689	1.1
87.04467	1.3
89.83698	0.3
91.03973	0.4
91.05477	0.7
93.07030	0.4
95.04967	100.0
96.05289	2.0
96.08131	0.8
97.02884	4.4
98.09697	1.9
98.23297	0.5
99.04463	1.1
100.11251	0.4
102.09178	15.6
103.03962	0.5
105.07037	0.6
107.04954	10.7
109.02885	1.5
109.06512	0.4
110.09695	0.5
115.03935	0.2
119.04948	1.0
119.74332	0.2
120.08112	0.8
121.06511	0.6
122.09670	4.0
123.04388	0.3
123.10465	1.1
127.03925	1.9
131.04875	0.3
133.06488	3.1
135.08061	0.3
136.11221	0.3
137.05978	0.5
140.10732	1.3
145.04973	0.7
145.06505	1.0
147.08063	0.5
154.12291	0.6
159.08057	1.0
173.23555	0.2
192.13976	0.2
201.12737	1.4
210.14919	0.6
211.14452	0.3
219.13785	0.4
229.15567	0.2
235.10378	0.2
236.50790	0.2
248.20222	0.5
266.21204	1.1
276.87543	0.3
300.79556	0.3
311.20059	0.4
329.21075	4.3
329.24747	0.2
356.25833	3.6
357.26169	0.3
374.26880	20.5
375.27078	1.3
392.27930	13.3
393.28354	1.0
518.31085	0.8
536.32129	10.3
537.32617	1.0
554.33228	56.5
555.24786	0.5
555.33594	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	554.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05512	0.5
56.05035	1.4
56.68484	0.4
57.03439	0.8
57.05825	1.0
57.22398	0.4
57.98084	0.5
67.05504	0.7
69.03429	1.3
70.06599	7.6
71.30134	0.7
71.54646	0.4
72.08159	100.0
73.08497	1.3
74.08013	0.4
79.05505	0.9
81.07076	1.3
84.08163	1.4
85.02917	2.0
86.09722	2.7
91.05499	0.6
91.50040	0.4
93.07057	0.9
95.04974	5.4
95.08591	0.8
97.02915	0.8
99.04499	0.6
102.09195	1.7
105.07010	0.6
107.04932	0.6
110.07186	1.0
110.35690	0.5
119.08589	0.5
120.08118	1.1
123.04427	4.4
124.11221	2.2
127.03959	0.5
129.10255	0.8
131.08545	0.5
136.07561	0.7
145.10112	0.5
149.06021	0.6
164.46349	0.4
169.13472	0.6
170.15338	0.5
175.14723	0.4
182.15538	0.5
183.15048	0.5
215.10437	0.6
230.12871	0.5
347.09604	0.6
356.26163	0.6
364.07172	0.8
374.26828	2.2
392.27930	6.1
492.23068	1.9
494.20871	1.0
527.61316	0.4
536.32623	0.9
554.22919	21.5
554.33270	44.0
555.23846	13.1
555.33630	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	554.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01857	0.6
55.05521	1.5
56.05024	1.2
57.03430	2.0
58.06588	0.6
58.38535	0.3
59.32167	0.3
61.02910	1.4
65.03950	0.5
67.05506	3.1
69.03428	5.1
69.07067	1.5
69.45347	1.3
69.45756	0.6
70.06588	4.5
71.01331	0.4
71.04988	1.0
72.04508	1.0
72.07755	0.5
72.08155	10.6
73.02896	1.1
79.05497	2.5
81.03417	3.2
81.07047	2.5
83.04968	0.3
83.08633	1.8
84.04488	0.5
84.08151	2.0
85.02903	6.8
85.06528	0.4
85.08913	0.5
86.09705	4.9
87.04444	0.8
91.04028	0.3
91.05466	1.7
93.07039	1.6
95.04956	1.9
95.08587	1.2
96.08101	0.4
97.02889	4.0
97.06514	1.7
98.09687	21.0
99.04427	1.1
99.08121	1.9
101.02361	0.6
102.05558	0.4
103.01068	0.3
103.03921	0.5
104.84534	0.3
105.07018	1.0
107.04941	2.5
107.08584	1.0
109.02870	2.2
109.06483	0.4
109.10120	0.4
110.07140	0.6
111.04401	0.6
112.11212	0.3
115.03919	0.4
117.06990	0.6
119.08572	0.4
120.08102	3.5
121.06491	1.8
121.10095	0.4
123.04421	39.6
124.04751	0.7
124.11231	1.4
125.09615	0.8
127.03915	2.1
129.10217	0.5
130.06512	0.4
133.06461	0.5
135.04410	5.1
135.05370	0.5
135.08112	0.3
135.11647	0.5
136.07666	0.4
137.05962	1.5
139.03908	0.9
142.12260	16.1
145.04947	0.7
145.06477	0.5
147.04395	3.4
147.08069	0.5
149.05971	12.0
160.05196	0.4
161.05957	3.2
162.09148	1.0
163.03786	0.4
163.07504	3.0
173.05969	0.6
175.07526	2.6
177.05409	0.4
187.06075	0.4
189.05469	0.6
189.09137	0.8
195.13696	0.4
213.14948	0.7
217.12207	2.3
229.15367	0.4
235.13275	1.1
240.02118	0.3
250.12607	0.3
268.22803	0.4
275.17569	0.5
283.33127	0.4
287.07208	0.5
303.16974	0.5
347.09497	1.5
374.26953	1.1
392.27921	17.9
393.28400	1.3
407.19818	0.4
439.91943	0.3
492.22876	0.6
494.21121	0.6
510.22171	1.5
536.24933	0.4
536.32281	0.9
554.25275	16.1
554.33203	100.0
555.24445	6.8
555.33594	8.6
583.18909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56836	0.2
53.03941	0.2
55.01875	0.5
55.05505	0.3
56.05032	0.7
57.03423	0.5
58.06607	0.9
61.02912	0.3
65.03937	0.9
67.05502	2.3
69.03427	1.6
69.04307	0.6
69.04727	1.0
69.07041	0.2
70.06585	1.9
71.04990	0.5
72.08150	8.2
73.02902	0.3
76.25705	0.1
79.05496	0.6
79.28182	0.2
81.03393	0.4
81.07062	0.7
83.04964	0.5
83.08577	0.2
84.08138	1.7
85.02901	2.6
85.06561	0.2
85.08913	0.6
86.06066	0.4
86.09704	0.6
87.04469	0.2
91.05483	5.7
93.07043	0.7
95.04964	100.0
95.08586	0.5
96.05305	1.5
96.08122	0.6
97.02901	1.2
97.06544	0.4
98.09679	1.1
99.04462	0.3
100.11257	0.5
102.09175	11.3
105.03382	0.2
105.07016	0.8
107.04935	0.3
107.07349	0.2
107.08589	0.3
109.02852	0.2
109.06517	0.7
110.09679	0.3
111.04421	0.3
112.07650	0.2
115.05470	0.9
117.07012	5.2
118.07326	0.2
119.04921	0.2
120.08092	0.5
121.06466	0.2
122.09667	3.3
123.10440	0.9
127.03931	0.6
127.07516	0.2
128.06230	0.3
129.07028	1.3
131.08597	1.1
135.08058	0.2
136.11206	0.7
140.10693	1.6
141.06973	3.4
143.08557	0.8
149.09579	0.2
154.12190	0.4
155.08548	0.6
157.10083	0.9
159.09256	0.3
165.09309	0.2
167.08585	0.2
169.10124	0.3
183.11668	2.4
185.09659	0.2
185.13066	0.5
195.11732	0.2
197.13029	0.4
201.12801	0.2
210.14822	0.4
213.12062	0.2
219.11899	0.2
275.17957	0.2
287.07431	0.2
291.66232	0.2
293.18817	0.3
311.20041	2.2
313.21762	0.2
338.20883	0.1
338.24722	4.1
339.24948	0.2
356.25812	20.9
356.73944	0.2
357.26068	1.5
374.26868	24.1
375.27145	1.4
386.84741	0.2
392.27917	9.7
392.59195	0.2
393.28162	0.7
410.18631	0.5
455.28302	0.3
474.22046	0.2
492.22772	1.5
494.20679	0.6
536.23145	0.3
536.32117	2.9
554.22827	12.1
554.33051	33.4
555.23523	1.6
555.33435	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	554.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	26.4
57.03447	16.2
57.07078	4.5
63.31288	1.7
67.05505	68.2
69.07069	32.4
71.04990	9.6
79.05495	17.2
81.07058	100.0
83.08628	10.8
85.06552	14.8
91.05477	11.5
93.07063	16.3
95.08607	94.7
97.06550	3.6
97.10188	5.1
99.08134	5.0
105.07037	6.4
107.08604	5.7
109.10143	13.3
119.08597	9.4
121.10163	9.8
123.11734	7.5
133.10159	3.9
135.11702	5.2
137.13269	4.5
139.21523	1.9
147.11638	12.8
165.12802	11.4
175.14912	2.3
183.13837	5.3
184.75789	2.0
194.56436	2.0
201.14885	5.4
245.22609	2.4
257.17477	99.4
258.17859	3.4
263.23688	2.2
337.27377	86.2
338.27701	5.4
382.90179	2.3
519.40411	48.0
520.40393	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	554.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	56.6
57.03435	24.1
66.89799	10.8
67.05499	100.0
69.07068	58.2
69.37384	47.1
69.37787	28.4
71.08617	10.2
79.05489	65.5
79.65692	10.1
81.07058	89.8
83.08629	47.1
85.06541	14.6
91.05457	26.7
93.07045	78.2
95.08616	83.2
97.97009	11.2
105.07024	29.2
107.08592	44.6
109.10176	34.5
119.08571	19.1
121.10159	49.4
123.11677	16.3
133.10107	15.9
135.11702	38.5
145.10176	26.7
149.13271	24.8
163.11218	22.8
167.14362	20.6
218.69904	12.0
227.12743	71.1
241.17909	12.9
259.19092	97.4
261.22095	23.1
283.15442	40.5
311.25748	51.6
335.25861	69.2
440.61990	12.0
519.37439	19.4
554.37311	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	554.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07079	30.2
67.05509	1.3
68.69591	0.9
69.07066	4.3
71.08637	29.6
73.06565	6.1
74.94484	1.0
81.07071	1.5
83.08630	4.6
85.09711	1.7
85.10190	18.8
87.04453	3.8
89.06036	100.0
89.91012	1.0
91.07600	1.4
97.10150	6.8
99.11738	1.6
100.99470	1.1
107.07079	3.4
111.11716	3.1
117.09149	5.3
125.13255	3.1
127.14802	1.7
130.08670	1.3
131.07048	1.3
133.08614	56.4
136.17264	1.1
141.16438	1.6
177.11223	20.4
195.12212	1.4
211.24245	2.7
221.13809	3.5
239.15016	2.2
255.26834	1.3
256.12003	1.3
264.26132	1.2
283.17596	2.5
299.29471	4.5
327.20154	7.8
343.32181	2.6
537.43750	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	555.2206
Annotation	Physalin V
Peak:m/z	Relative Intensity
52.04324	0.6
56.96548	1.7
58.06605	0.7
65.95537	0.6
67.05505	0.9
68.96402	0.6
69.03423	1.5
69.07078	0.7
70.06582	4.4
70.90530	1.5
71.04994	0.7
72.08151	9.9
81.07040	1.3
84.08141	1.7
84.84517	0.6
85.02910	2.7
86.09714	3.6
87.04453	0.7
91.05486	1.0
95.04972	14.8
95.08593	1.1
96.05302	4.4
97.02860	1.2
98.09683	0.9
98.97572	8.3
102.09161	2.4
104.83720	0.7
105.07037	1.4
107.04937	2.0
107.08611	1.0
109.02936	0.7
116.98631	2.8
119.08575	3.3
120.08086	1.8
122.09629	0.9
123.04460	0.9
127.03905	0.7
129.10213	0.8
133.10146	2.9
134.99654	0.7
145.10123	0.9
157.01715	2.7
158.99648	1.9
173.01276	0.9
175.02841	3.1
175.14803	2.2
177.00635	1.8
191.02242	0.9
201.00688	3.0
217.03922	1.0
219.01726	2.5
225.00729	0.8
243.01732	1.9
259.04907	0.8
261.02829	1.9
303.03809	2.4
309.13840	1.1
347.09198	0.7
361.05203	0.7
363.06888	13.5
375.27151	2.7
376.28607	0.7
392.27832	0.8
393.22610	2.8
393.28006	1.5
411.16736	2.6
418.78906	0.7
453.17923	0.9
537.20935	14.2
537.32501	1.5
538.21045	1.9
538.33551	1.2
555.21875	100.0
555.34686	7.1
556.22217	6.4
556.34808	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	555.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94563	1.4
63.89447	1.2
69.90559	5.8
84.08113	1.4
90.49100	1.4
98.22655	1.8
164.37074	1.5
268.53357	1.7
365.10626	2.3
393.18921	5.1
519.47961	1.7
555.24109	100.0
556.24487	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	555.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03444	0.6
57.87462	0.4
64.37857	0.4
67.05500	0.6
69.01911	0.4
69.03429	1.1
69.07062	0.8
69.37969	1.2
69.38380	1.2
70.06593	4.1
72.08157	2.1
81.03419	0.8
81.07046	0.8
84.08118	0.7
85.02898	2.4
85.06554	0.4
86.09692	2.6
91.05469	0.8
93.07036	0.4
95.08582	0.5
97.02891	1.1
97.10167	1.1
98.09689	0.4
98.23364	0.7
99.04441	1.3
103.03944	2.2
105.07067	0.5
107.04906	0.5
109.02872	1.0
109.10167	0.8
115.11191	0.4
116.07140	0.4
119.08534	0.4
120.08105	0.9
121.02872	0.8
121.06518	0.4
123.04398	0.5
127.03896	2.8
127.11228	2.0
129.10146	0.4
131.08554	0.7
145.04967	1.5
145.12254	0.4
163.05966	1.0
173.13292	0.5
185.04192	0.8
223.13081	0.6
227.88420	0.4
285.09332	0.9
287.07413	1.0
321.07635	0.5
329.08344	0.9
345.07767	0.4
347.09433	5.0
375.27148	0.6
393.18570	3.1
393.27966	0.9
394.25095	0.5
411.19974	3.2
435.19940	0.7
437.21228	0.5
453.21106	0.7
475.23038	8.0
476.23523	1.2
477.20926	4.1
478.21408	0.5
493.24112	6.6
495.21848	3.6
498.36304	0.4
519.22028	1.7
520.12354	0.5
537.23047	47.3
538.23309	4.3
555.24084	100.0
556.24219	8.3
556.32263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2415
Annotation	Baenzigeroside B
Peak:m/z	Relative Intensity
55.05507	0.6
58.58463	0.2
67.05487	0.7
69.03423	0.9
69.07061	0.7
70.06594	4.1
71.04978	0.3
72.08157	2.4
76.00954	0.3
79.05458	0.3
81.03414	0.6
81.07050	0.6
84.04504	0.4
84.08143	0.7
85.02913	1.4
86.09692	2.1
91.05476	0.7
93.07057	0.6
95.04932	0.4
95.08633	0.4
97.02901	1.2
97.10179	1.0
98.09694	0.5
99.04445	0.9
103.03951	1.5
105.07044	0.5
107.04977	0.5
107.08599	0.4
109.02890	0.4
109.10159	0.7
117.07058	0.4
119.08609	0.4
120.08106	1.1
121.06483	0.4
121.79987	0.2
123.04435	0.4
127.03928	2.3
127.11204	1.7
129.10223	0.5
131.08565	0.8
135.08089	0.3
145.04958	1.2
149.09518	0.3
163.06058	0.7
169.04735	0.3
173.13278	0.8
177.26247	0.3
183.14973	0.4
185.04219	0.7
223.13339	0.5
249.14909	0.3
285.09415	1.4
287.07440	1.0
327.10883	0.3
329.08450	1.3
338.20303	0.3
345.07932	0.5
347.09479	6.3
375.17310	0.3
375.27264	0.8
376.28558	0.3
393.18762	3.3
393.28363	0.6
394.25754	0.8
402.24835	0.4
411.19971	2.8
432.98627	0.3
434.51910	0.3
435.19962	1.1
453.20596	0.5
475.22998	7.4
476.23447	1.0
477.20999	4.3
493.24042	7.1
494.24417	0.7
495.21954	2.9
496.22064	0.3
519.21802	2.0
537.23059	43.8
538.23395	4.1
538.32086	0.4
555.24109	100.0
556.24310	10.1
556.31110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35091	0.4
62.71623	0.3
70.06598	1.0
71.28746	0.6
72.08176	0.4
84.08138	0.4
86.09712	1.9
129.13173	0.4
135.15523	0.4
146.84453	0.4
169.04718	0.4
175.09912	1.9
182.68848	0.4
188.10762	1.3
190.08606	0.6
202.08673	0.9
203.05246	0.5
204.10204	1.6
231.11310	1.1
232.09694	1.4
237.13409	0.3
245.06421	0.5
249.12387	5.9
277.11865	1.1
305.08514	1.4
331.10095	0.4
363.08957	3.4
365.10541	8.1
366.10831	0.5
390.20361	1.2
393.18951	1.0
442.19748	3.4
452.18127	0.5
537.26379	0.6
548.58313	0.4
555.24097	100.0
556.24432	7.7
561.94214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2411
Annotation	Milolide I
Peak:m/z	Relative Intensity
55.05513	0.5
57.03471	0.3
63.00690	0.3
67.05501	0.4
67.44538	0.3
69.03542	2.7
70.06593	3.7
72.08151	20.6
73.08479	2.5
79.05482	0.6
81.07055	0.9
84.08145	1.2
85.02918	0.7
86.09687	2.1
87.76478	0.3
91.05481	0.8
91.17397	0.3
93.07054	0.7
95.04946	2.2
95.08595	0.6
96.05311	0.5
97.02855	0.3
99.04459	0.3
102.09200	0.4
103.03947	0.3
105.07004	0.5
107.08576	0.8
110.07106	0.3
118.61950	0.3
120.08095	4.0
121.08468	1.2
121.10177	0.4
127.03902	0.6
129.10197	0.5
135.11720	0.5
136.07582	0.4
143.08638	0.4
161.13258	0.5
169.13463	0.3
181.65340	0.3
184.77484	0.3
194.76675	0.3
203.05394	0.4
217.03874	0.3
252.37030	0.3
285.09406	1.5
287.07379	1.0
307.06381	0.3
321.07346	0.3
329.08478	1.0
345.07825	0.7
347.09442	5.9
348.09778	0.4
357.26230	0.5
374.26950	0.4
375.27402	0.5
392.28113	0.3
393.18390	3.3
393.22769	0.9
393.28131	0.7
394.18948	0.3
411.19778	3.5
435.19910	1.0
453.20752	0.6
475.23001	9.7
476.23303	0.9
477.20886	4.2
478.21039	0.5
493.24054	7.2
494.24319	0.8
495.21817	3.7
496.22662	0.4
519.21906	1.2
520.21393	0.4
525.23199	3.5
537.23010	27.2
538.13605	0.5
538.23407	2.2
555.24017	100.0
556.24188	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	555.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64367	0.5
63.54562	0.4
64.57874	0.5
68.71527	0.4
69.42976	1.8
69.43377	1.0
99.84980	0.5
99.98412	0.5
101.86018	0.5
119.26138	0.5
124.03954	1.6
201.23734	0.5
254.27191	0.5
278.87677	0.4
335.57181	0.5
393.26147	0.7
537.30139	1.1
552.95282	0.5
555.31372	100.0
556.31738	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	555.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
56.05045	0.7
60.05655	1.7
68.05017	0.6
69.03427	0.9
69.07092	0.3
70.06593	100.0
70.88016	0.4
71.05018	0.5
71.06931	2.3
71.29264	0.4
72.08155	3.6
73.08513	0.4
74.06071	0.4
80.05036	0.4
81.07069	0.4
84.04519	1.6
84.08147	3.8
85.02897	1.7
85.07683	0.8
86.09707	13.7
87.10033	0.6
91.05497	0.9
95.06090	0.7
96.04452	0.4
97.02924	0.6
97.07674	1.3
98.06045	7.1
100.07600	0.3
103.05495	0.4
105.07050	0.4
110.07166	2.5
112.08729	21.0
114.09137	0.4
115.08685	2.3
116.07086	0.5
119.05022	0.7
120.08147	1.5
124.08669	0.5
125.07113	0.7
126.05535	1.9
127.03916	0.6
127.08688	0.6
129.10236	1.7
131.04953	1.1
136.07610	0.8
137.06007	1.2
138.05542	0.7
138.06639	0.7
140.08183	3.4
144.10194	0.3
147.04427	0.5
147.07666	0.5
149.10777	1.3
153.06699	0.5
155.08150	0.8
157.10852	4.3
161.06082	0.6
163.07533	0.4
165.13884	0.5
166.13461	1.2
167.11806	3.3
168.52100	0.6
169.09761	0.5
169.13387	0.7
177.05533	0.6
177.10280	0.4
178.05862	0.5
183.14923	10.1
184.15318	0.4
189.12383	1.3
192.11292	2.2
194.12956	1.6
195.11275	3.9
196.17055	1.1
197.10422	1.3
197.13034	0.6
199.16483	0.3
199.18127	1.5
209.13969	4.7
211.14401	5.5
211.16014	0.4
213.12404	0.4
214.13020	0.5
214.18047	0.8
220.10942	0.5
227.17575	0.7
229.15471	0.4
232.17093	0.4
232.19016	1.8
237.13463	10.8
237.15685	0.5
242.13193	0.4
244.13011	1.2
245.11334	1.6
246.11632	0.8
254.16299	0.4
262.19220	1.3
280.20114	0.6
290.18695	1.3
308.19711	0.9
312.19348	0.4
322.22522	0.5
332.20978	0.4
333.19193	0.6
350.21902	0.6
376.23349	0.6
399.26117	0.9
435.30927	1.4
452.33749	0.7
478.30267	0.5
480.33093	0.7
496.31641	0.9
537.35205	4.7
538.33746	4.9
539.33875	0.4
555.36182	70.2
556.29425	0.6
556.36676	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	555.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
57.07077	18.0
58.07384	0.3
58.68991	0.3
63.22054	0.3
70.06593	7.5
71.08635	9.4
71.29230	0.4
71.48578	0.3
85.10181	3.6
86.06028	0.3
88.07629	2.8
102.09178	2.3
111.05994	0.3
112.05682	1.8
113.07615	2.6
114.07244	34.8
115.07517	0.4
180.12828	0.3
182.27734	0.3
221.34427	0.3
223.00806	0.3
256.26361	12.5
257.26654	1.0
281.26343	4.4
282.25995	100.0
283.26364	5.3
555.52704	47.1
556.52948	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.01878	2.9
58.06598	1.9
62.95626	1.9
65.03949	3.7
70.06586	9.0
70.54387	5.5
79.05500	4.6
82.69057	2.1
85.02901	4.3
91.05486	36.1
95.04996	2.8
97.02864	2.7
103.05470	50.5
105.03403	7.6
105.07038	22.4
107.04964	4.2
109.06535	7.0
115.05431	2.7
119.04948	45.9
119.05760	2.9
121.06519	2.7
122.03615	3.3
123.08064	3.0
129.06958	3.8
131.04932	100.0
132.05276	2.7
133.02872	6.5
133.06509	18.2
137.05977	81.3
147.04428	15.1
147.08043	2.4
149.06003	5.1
151.07559	20.5
159.08076	1.7
161.05989	65.3
162.06731	7.6
163.07550	45.3
165.05493	3.9
175.07602	16.8
179.07033	18.5
187.07535	15.9
189.09119	3.3
193.08693	3.9
202.85371	2.0
205.06944	1.8
205.08549	9.2
217.08667	2.7
219.08076	3.7
235.09619	2.6
247.07625	2.2
251.10664	5.3
262.47211	2.0
279.10242	6.1
291.10034	5.5
309.11218	9.4
311.12866	13.4
323.12769	5.1
329.14026	3.6
341.13861	7.3
393.07904	1.8
439.86234	1.9
492.24020	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	556.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.79290	0.2
65.78590	0.2
67.05502	0.8
70.06602	0.2
71.30302	0.3
72.08122	0.2
74.17098	0.2
78.03445	0.7
79.04241	0.2
80.05014	4.5
80.72413	0.2
81.07051	0.6
83.04958	0.2
86.09730	0.2
91.05486	0.3
92.37861	0.2
93.07036	0.3
95.04965	0.3
96.04494	3.2
97.02866	0.3
105.07012	0.3
106.02895	0.4
107.08620	0.3
119.08577	1.4
124.03951	100.0
125.04276	2.2
133.10170	0.3
143.08592	0.3
145.10088	0.4
155.07024	0.4
155.08430	0.2
157.10110	0.3
159.11676	0.5
166.26151	0.2
169.10118	0.3
170.10883	0.2
171.11662	0.3
173.13252	0.4
183.11653	0.3
185.09666	0.2
197.13287	0.6
211.14838	0.4
220.12544	0.5
221.13280	0.2
225.16383	0.3
235.14862	0.7
313.18060	1.3
556.31519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07852	1.7
51.03710	1.7
53.03945	4.5
55.05505	3.5
55.77715	1.5
56.05025	3.4
57.03429	2.9
59.04999	10.6
61.02909	2.5
69.03423	10.6
69.07068	8.6
70.06256	2.6
70.06602	30.3
70.40302	1.7
71.04995	3.5
71.29929	1.6
72.08158	38.5
73.02895	2.6
74.06048	2.3
79.05494	2.3
81.03410	11.4
81.07052	4.4
84.08147	7.3
85.02906	48.7
86.09714	10.6
87.04480	3.7
88.98231	1.9
91.05486	3.8
93.07069	4.0
95.04956	4.6
97.02905	18.6
99.04455	29.1
101.07176	1.8
103.03942	56.4
105.05521	5.9
105.07046	2.0
109.02887	12.3
109.10209	2.0
110.07126	2.6
111.11703	4.3
120.08121	16.0
121.06546	2.6
121.10252	2.1
123.04453	3.2
127.03918	64.7
129.10202	2.4
129.12727	12.1
130.06522	1.8
133.10120	2.1
145.04961	42.7
157.09744	4.7
159.09206	5.8
159.11725	1.6
163.06023	36.1
170.11734	2.0
187.06081	3.8
203.05362	2.2
205.07167	3.1
205.10178	2.2
213.12543	2.1
215.10387	3.6
231.13272	2.6
271.08087	5.6
285.91568	2.3
289.09225	4.1
307.10254	7.8
365.10468	12.2
376.28589	3.0
394.23178	4.1
394.29535	6.2
395.24066	4.7
489.50635	2.1
538.33777	4.2
548.88934	2.3
556.24249	100.0
556.34485	19.2
557.25507	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01865	0.4
55.05502	0.5
56.05029	0.9
56.11639	0.2
57.03432	2.6
57.05814	0.7
58.06588	0.3
61.02919	1.3
67.05498	0.9
69.02952	2.4
69.03425	5.0
69.07056	0.5
70.06592	3.4
71.04976	0.7
71.07362	0.8
72.08150	100.0
73.02917	1.3
73.08488	1.2
79.05473	1.3
81.03408	1.5
81.07047	1.1
83.04967	0.3
83.08614	0.5
84.08141	0.9
85.02900	6.3
86.09701	2.4
87.04459	0.8
91.05479	0.9
93.07059	0.6
95.04991	0.3
95.08606	1.1
95.84892	0.2
96.08142	0.2
97.02879	2.6
97.06536	1.0
99.04445	0.6
100.07658	0.3
101.02382	0.3
102.09186	0.7
103.03925	0.3
107.04947	13.0
109.02872	0.8
109.10149	0.3
110.07061	0.3
117.58567	0.2
119.04965	0.9
120.08162	0.3
121.06487	0.6
123.11665	0.3
124.11223	2.9
127.03916	1.1
131.04922	0.8
133.06502	2.7
135.11642	0.3
145.04974	0.3
145.06497	1.0
147.08040	1.2
159.08028	0.8
161.09514	0.3
173.09554	0.4
175.95409	0.3
201.12738	0.7
301.59302	0.3
358.27481	1.4
376.28384	6.5
377.28748	0.4
394.29480	10.0
395.24411	0.3
395.29965	0.7
398.08466	0.3
513.79932	0.3
520.32581	0.8
538.33691	15.1
539.33710	1.4
556.34747	62.2
557.26459	1.1
557.35345	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	556.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37899	0.5
53.03945	1.2
55.01875	1.4
55.05496	1.5
57.03438	4.5
57.14928	0.5
58.06615	2.8
61.02927	2.8
67.05509	2.0
69.03432	8.0
69.07080	1.0
70.06592	11.5
71.06940	1.2
71.30182	1.1
72.08156	29.6
73.02917	1.7
73.08460	0.9
79.05510	1.9
81.03427	1.6
81.07064	9.5
83.08615	1.4
84.08125	3.5
85.02908	11.2
85.08920	4.3
86.09724	3.3
87.04472	2.2
88.75079	0.6
89.98576	0.8
91.03980	0.8
95.05018	0.7
95.08618	1.7
97.02885	4.7
98.09695	10.4
99.04453	0.9
107.04980	1.6
107.08587	0.6
109.02876	1.1
110.09737	0.7
112.11244	0.7
114.05556	0.9
121.10148	0.6
123.04435	26.8
125.09665	1.2
127.03931	2.6
127.08727	2.2
128.09084	0.6
129.10297	1.2
135.04436	2.4
137.06021	0.7
139.03951	0.7
140.14349	1.7
145.04955	0.7
147.04381	1.2
149.05984	6.9
152.86867	0.6
155.08264	0.9
161.06036	2.0
163.07535	3.3
175.07545	1.6
196.16945	4.0
215.13963	1.9
217.12192	3.7
228.01445	0.7
229.15486	2.9
230.15901	1.8
235.13374	1.5
242.15109	0.8
252.23245	8.2
270.14761	0.8
286.17654	1.4
287.17844	1.1
313.21515	0.9
328.17123	0.7
331.22726	2.2
365.10568	0.9
376.28461	32.3
377.28842	2.3
394.29535	25.3
395.30048	1.9
418.29321	0.9
538.33783	23.4
539.34082	2.4
556.34778	100.0
557.16571	7.6
557.25616	1.7
557.34949	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99604	0.5
55.05515	1.4
57.07086	1.4
58.91079	0.6
67.05508	5.0
69.07059	0.7
71.08627	1.1
73.03680	0.6
79.05493	1.5
81.07057	3.6
86.92750	0.6
89.06014	3.2
89.22770	0.6
91.05474	0.7
93.07036	1.8
95.08609	2.6
105.06992	0.7
107.08559	0.9
109.10140	3.4
121.10150	1.0
133.08635	1.4
135.11719	0.7
148.77789	0.6
173.25409	0.7
201.16217	0.8
204.09315	0.7
222.11002	6.8
263.77637	0.6
278.13593	4.5
279.14008	0.7
283.26440	2.2
311.29492	1.3
335.25919	1.8
357.24063	1.1
371.22751	0.9
529.35474	1.1
556.36072	100.0
556.52795	3.6
557.36353	9.0
574.17706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03429	1.0
57.07069	0.7
62.93146	0.3
67.05505	5.4
69.07059	0.9
69.91969	1.1
70.06604	0.5
71.08633	0.3
79.05493	2.1
81.07047	4.0
83.08636	0.7
89.06032	1.8
91.05489	1.1
93.07053	2.0
95.08611	3.4
105.07056	0.8
107.08601	1.1
109.10147	1.9
119.08575	0.4
121.10151	1.0
123.11670	0.3
133.08580	0.8
133.10161	0.7
135.11705	0.4
145.02386	0.3
177.11165	0.4
195.09946	0.4
222.11014	14.5
278.13550	2.1
283.26349	1.2
335.25836	2.8
356.93008	0.4
357.24051	1.2
371.22592	0.5
529.35187	0.8
556.36060	100.0
557.36420	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	556.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
57.07080	62.0
59.07161	1.2
61.61434	1.2
66.14991	1.5
67.05477	2.3
69.07081	7.8
69.08593	5.2
69.09013	8.7
71.08636	44.9
73.06558	4.9
73.12894	1.6
78.79733	1.3
79.05490	2.0
81.07070	1.5
82.40334	1.3
83.08630	5.9
85.10184	33.7
85.10665	2.7
86.09720	1.6
87.04452	5.5
89.06036	100.0
95.08604	4.9
97.10170	6.1
99.11745	7.4
107.07092	2.6
109.10176	3.1
111.11722	4.0
113.13287	4.5
117.09093	3.9
130.08653	2.0
131.07033	1.7
133.08615	59.4
158.46205	1.4
162.39229	1.7
169.19632	2.0
177.09799	2.0
177.11241	26.1
213.22125	2.2
221.13850	5.7
239.23744	3.8
257.24893	2.6
265.16562	1.9
268.85764	1.7
283.17361	3.6
283.26343	2.3
300.28940	2.4
301.27472	2.5
313.27328	9.1
371.22781	5.1
390.48941	1.6
421.41718	1.5
539.41858	8.0
556.52747	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	556.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.07077	37.1
65.78051	0.8
69.02344	3.2
69.02766	3.8
69.07070	3.2
71.08237	1.4
71.08633	26.6
73.06561	6.6
76.16537	0.8
83.08606	1.9
85.10184	15.7
87.04472	4.2
89.06034	100.0
90.06387	1.7
91.07574	1.7
95.29262	0.7
97.10168	3.0
99.11758	3.9
107.07065	2.1
111.11726	3.2
113.13281	3.2
117.09151	4.5
127.14815	1.5
131.07034	1.4
133.08607	48.9
134.08932	1.0
143.50363	0.7
159.99649	0.8
169.19528	4.3
177.11224	19.4
198.38431	0.7
206.63538	0.8
213.22119	2.4
216.64917	0.7
221.13850	3.9
257.24786	4.9
283.17615	1.4
301.27377	3.4
327.20123	1.2
371.22641	6.1
539.41687	5.5
567.30011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06665	0.9
55.05513	8.9
56.05394	1.0
57.03445	2.4
57.07080	18.4
58.06606	3.1
58.70174	1.0
61.19018	1.3
61.44309	0.8
67.05505	11.0
69.07071	12.7
69.09127	2.7
69.09537	5.6
70.06596	17.4
71.08634	9.1
72.08142	2.5
73.02911	0.9
76.81143	1.0
78.58002	0.8
79.05515	2.4
81.07057	13.1
83.08628	10.0
84.08155	1.4
85.10184	5.0
86.09709	4.2
87.04464	1.6
87.83302	0.9
88.07639	11.4
89.06019	5.4
91.05500	2.8
93.07043	5.2
95.08604	11.5
97.06557	2.8
97.10182	3.0
102.09190	4.8
105.07022	1.3
106.14631	0.9
107.08596	6.0
109.10162	5.5
111.08095	1.1
119.08600	1.0
121.10165	2.4
123.11770	2.0
132.10191	8.6
133.08603	2.8
146.11743	8.2
149.13271	3.6
167.14362	1.5
201.14688	1.1
212.23924	1.8
228.23305	1.5
245.22681	1.7
256.26376	14.0
259.19040	12.9
260.19196	1.0
263.23706	1.8
272.25797	2.4
283.26318	57.7
284.26675	2.0
300.28989	28.4
301.29269	1.1
311.29446	5.8
318.30194	1.9
337.27402	6.2
371.22974	1.4
521.41895	4.9
556.53003	100.0
557.53363	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	557.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99876	2.3
69.03446	1.5
69.04326	1.1
69.21457	6.9
69.21877	2.0
70.06595	3.0
70.99870	1.4
82.99874	4.0
86.99370	1.7
94.93042	3.1
94.99837	1.4
97.02907	2.5
101.00883	40.0
103.02491	1.2
109.01453	2.5
109.02902	2.0
113.00877	9.8
114.14045	1.3
115.02427	2.2
117.04010	3.9
119.01924	62.3
120.02017	1.5
127.02421	13.9
129.04012	2.3
131.01907	33.7
132.02031	1.8
133.03491	2.6
137.02962	5.0
139.02426	3.9
141.04024	4.6
143.01898	39.2
145.03461	78.0
146.03656	2.4
147.01422	3.2
147.05042	2.8
149.02986	3.8
149.66676	1.3
153.04001	2.7
155.01897	26.8
157.03490	13.2
158.65587	1.4
159.05042	25.1
161.02962	40.5
162.03082	1.6
163.04530	12.9
167.01889	12.5
169.03467	57.3
170.03600	2.1
171.00175	1.3
171.01366	6.0
171.05017	13.7
173.02956	38.0
174.03255	1.8
175.04544	2.8
175.11888	1.3
177.06093	2.8
179.01942	5.5
181.03482	8.5
183.05074	3.0
185.00479	1.5
185.02966	64.3
186.03078	3.6
187.04521	100.0
188.04704	4.0
189.02425	15.8
189.06187	3.3
190.02556	1.5
191.04021	1.8
193.03416	1.6
195.01372	2.5
195.05350	1.2
197.02956	20.0
199.04530	20.2
200.04840	1.4
201.02536	2.2
201.06131	3.3
202.89098	7.9
203.04007	18.9
204.88911	1.6
207.03572	2.9
210.06036	1.5
211.04510	18.9
213.02460	20.5
213.06102	4.1
214.51137	1.4
215.00587	2.0
215.04025	13.1
217.05495	2.9
221.04953	6.2
223.04506	5.2
225.02507	6.8
227.03976	9.7
229.05597	6.5
231.03493	36.7
232.03784	2.1
233.01508	1.5
233.05009	1.3
239.04018	2.1
243.03500	6.0
245.05075	96.2
246.05342	4.9
251.02623	2.6
253.05557	2.2
255.03404	2.1
257.01440	9.6
257.04996	5.8
261.04822	1.5
261.08029	1.6
263.06122	11.9
267.03415	1.8
271.06580	18.6
273.04565	4.8
275.02502	73.1
275.06079	10.9
276.02737	5.1
284.83838	2.5
286.99359	1.0
287.02475	28.7
287.05795	1.7
288.02774	2.3
289.07748	3.1
293.03595	20.7
293.07156	6.7
297.04614	2.8
305.03583	24.1
305.07205	10.2
306.03992	1.6
311.04706	1.9
315.05539	6.6
316.05350	1.3
317.03674	3.9
330.88138	1.4
333.06635	2.4
335.04575	29.8
335.08020	2.7
341.03604	6.5
344.85818	3.6
359.04593	22.3
360.04459	1.2
365.09216	8.5
377.05612	50.8
377.10126	2.6
378.05817	3.5
384.00125	1.7
395.06677	72.3
396.06918	5.5
421.95673	2.3
437.08304	2.5
452.84695	1.4
539.11102	7.1
557.11853	25.6
558.11945	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	557.1631
Annotation	Didmolamide B
Peak:m/z	Relative Intensity
52.56560	0.3
53.92538	0.3
59.46346	0.3
66.41029	0.3
68.86311	0.3
70.06599	1.1
71.28763	0.3
72.08170	0.5
86.09698	0.4
141.85548	0.3
185.04250	1.3
267.61713	0.3
309.09454	0.7
314.52478	0.3
347.09503	0.4
365.10638	1.9
395.10852	1.4
413.22006	0.3
507.40085	0.3
527.15393	0.6
538.21405	0.3
557.16376	100.0
557.25574	9.4
558.16687	9.2
558.25531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2568
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
52.37212	0.7
57.88597	0.7
67.05481	0.7
69.51833	4.1
70.06603	3.7
72.08151	0.9
76.10985	0.7
81.07072	1.1
84.08150	1.5
86.09696	1.8
93.07055	0.9
95.08593	0.9
98.23322	1.6
100.21015	0.7
105.07056	1.7
108.94865	0.6
113.17606	0.9
119.08538	1.1
120.08134	1.4
129.10286	1.1
224.56145	0.8
306.40970	0.8
347.09412	1.7
365.10300	1.0
390.35104	0.8
395.20279	3.8
557.25629	100.0
557.32617	6.2
558.25958	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	557.2572
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
70.06593	2.8
70.61028	2.6
72.08160	2.9
79.63341	1.0
84.08141	1.5
86.09710	1.3
144.96033	1.1
175.23093	1.1
184.02017	1.0
201.12328	1.0
203.99872	0.9
305.08200	1.4
323.35507	0.9
365.10440	1.4
380.87982	1.0
395.11234	1.6
557.16315	25.1
557.25519	100.0
558.16553	3.0
558.25848	8.5
558.33752	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	557.3087
Annotation	Dronedarone
Peak:m/z	Relative Intensity
51.15513	2.5
55.05502	3.9
57.07077	15.2
66.74986	2.3
67.05498	3.9
71.08620	10.1
74.78762	2.5
81.07039	4.1
81.20632	2.8
85.10184	3.7
87.04462	2.8
89.06033	52.1
90.06339	3.3
92.98961	2.6
95.08602	7.6
109.10128	4.8
133.08604	24.4
134.08937	7.2
177.11220	11.5
195.00400	3.0
207.26750	2.4
279.11725	2.7
313.27155	3.6
371.22568	6.9
450.24374	3.0
556.53088	7.6
557.30756	100.0
557.53253	6.2
558.30920	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	557.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68445	2.2
51.27686	2.2
55.05499	9.9
57.03429	3.6
57.07077	50.7
60.39624	2.3
67.05495	14.8
69.07055	10.6
70.06612	2.7
71.08630	39.5
75.04479	3.5
79.05514	4.5
81.07065	22.0
83.08624	12.1
84.62804	3.1
85.10178	23.0
89.06042	3.4
92.35042	3.0
93.07008	3.3
95.08601	29.8
97.10162	10.2
107.08565	2.7
109.02911	2.8
109.10155	12.1
111.11740	3.4
123.11696	6.1
151.14807	2.5
173.94127	3.3
209.52031	2.4
239.23692	35.2
257.24771	7.2
283.26111	2.6
298.92761	2.4
300.28833	2.6
311.68127	2.9
313.27356	82.9
314.27859	4.1
346.30972	2.8
556.52881	7.9
557.23187	3.8
557.30762	100.0
557.39282	6.0
557.53223	6.0
558.30988	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	558.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98477	8.5
55.05504	10.8
57.03444	10.9
57.07083	32.5
67.05516	22.8
69.07075	18.1
69.07166	17.0
69.07398	59.2
71.08622	19.4
79.05490	19.1
81.07056	62.7
83.08622	16.0
85.10173	8.2
87.56965	7.9
91.05509	10.6
93.07008	13.9
95.08629	20.5
105.07048	25.6
106.52673	8.6
107.08636	14.0
119.08608	17.1
123.11706	19.2
147.11722	39.3
163.25500	8.6
165.12767	26.9
174.25481	9.0
174.85953	8.9
188.88388	8.2
210.70862	8.0
211.04099	9.6
225.12352	8.2
256.26328	11.7
262.25314	19.7
267.15976	100.0
285.16953	80.6
313.27368	74.9
347.86087	8.4
474.71036	9.1
523.40295	52.7
558.43811	18.4
558.53223	9.5
563.16089	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	559.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16155	11.2
69.55758	44.3
70.06577	57.5
72.08170	41.7
78.88225	10.7
84.08143	20.2
86.09708	26.4
103.29247	14.2
123.04419	13.8
146.60962	12.2
155.85071	13.6
159.09027	11.8
165.56660	12.4
202.08337	11.4
237.02678	15.0
237.60312	13.8
237.62668	13.5
311.14560	12.5
390.43967	11.2
473.85086	13.2
558.35522	35.6
559.16644	100.0
559.35596	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05504	0.5
57.07081	0.4
59.05352	0.3
67.05502	0.8
69.03419	0.6
69.04830	3.3
69.07063	1.5
70.06588	2.8
72.08150	5.0
73.08494	0.3
76.21028	0.3
79.05506	0.4
81.07048	1.2
84.08158	1.5
84.08591	0.3
85.02895	1.0
85.06537	0.7
86.09705	3.4
91.05455	0.8
93.07033	0.9
95.04996	0.4
95.08608	1.4
97.02902	0.4
97.06536	0.5
99.08078	0.4
103.03924	0.5
105.07036	0.5
107.08595	0.9
109.02879	0.4
109.10175	0.7
110.07162	0.7
111.08080	0.5
112.08766	0.5
113.67207	0.3
118.06861	0.6
120.08092	0.6
121.10133	1.3
124.65427	0.4
127.03899	1.3
129.10236	1.0
135.11676	0.4
137.09657	0.4
137.13269	0.3
157.10222	0.4
177.16425	0.4
193.12878	0.3
201.12514	0.4
235.16798	0.6
253.17827	1.2
278.56763	0.3
285.09412	2.6
287.07330	1.9
292.20102	0.3
326.04553	0.3
329.08502	1.2
335.25739	0.3
347.09476	3.2
373.19138	0.4
397.21359	0.4
397.25885	0.6
415.23105	3.7
457.24103	0.9
497.27167	11.0
498.27435	0.8
499.25073	4.4
500.25311	0.5
541.26117	3.3
559.27167	100.0
560.27515	8.4
560.35278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62809	11.3
55.05517	24.2
60.62288	10.6
67.05516	71.2
69.07072	17.6
69.60329	61.5
76.89938	10.8
79.05495	32.3
81.07070	73.2
91.05482	24.9
92.06144	12.2
93.07056	36.7
95.08620	63.5
98.72676	11.2
100.10538	12.0
105.07061	21.5
107.08623	23.3
109.10185	33.0
117.07047	11.1
121.10143	23.7
123.11742	33.0
131.08519	15.7
135.11723	22.8
149.13237	17.6
159.11740	12.3
163.14877	11.2
164.95354	16.2
184.07268	16.1
200.37292	10.9
202.23076	10.5
223.97234	17.0
243.21216	28.3
261.22092	100.0
261.32065	11.5
335.25830	24.1
343.84467	12.0
353.26971	17.1
471.58893	13.5
560.28961	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	8.8
57.93208	8.9
58.61115	7.4
67.05505	11.6
81.07040	14.6
85.48146	9.8
91.05469	9.6
93.07059	12.7
95.08586	8.7
104.10744	25.3
110.43230	7.9
114.10147	8.7
136.93095	10.9
154.94173	27.4
172.95258	37.8
190.96294	17.7
210.96838	13.2
223.97227	16.7
228.97856	27.2
261.22180	23.3
283.41943	8.3
337.20435	14.4
345.75302	8.0
408.03607	8.8
455.18512	18.5
473.19885	100.0
474.20483	9.6
477.15338	10.3
501.21759	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	560.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.8
57.03447	6.4
57.07068	9.3
67.05503	80.6
68.61802	7.3
69.03876	57.0
69.07066	21.7
73.25745	6.8
78.28177	5.7
79.05498	40.6
81.07061	100.0
83.04985	7.2
83.08629	14.6
91.05480	31.1
93.07039	55.4
95.08595	64.6
97.10202	10.0
105.07031	26.0
107.08592	47.8
109.10146	46.6
117.07005	11.0
119.08591	22.8
120.85323	6.4
121.10157	40.4
121.10921	6.5
123.11725	19.9
124.66261	6.7
131.08577	21.9
133.10181	18.6
135.11697	26.4
145.10101	18.8
147.11705	8.2
149.13307	15.9
159.11662	13.0
161.13240	7.1
163.03912	8.1
173.13200	9.2
187.14798	8.0
206.80701	7.3
271.24368	7.5
289.25266	97.8
314.27698	11.5
363.28937	19.0
381.29953	19.9
425.08057	7.6
548.98895	9.1
560.44714	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03742	13.5
51.13398	14.1
55.05504	31.6
57.07083	44.9
57.81763	12.6
57.93945	12.4
65.08385	14.3
67.05518	48.4
69.07074	48.3
69.14549	75.2
69.14954	22.5
69.15547	12.7
69.91202	12.9
71.08642	24.2
79.05507	23.9
81.07059	59.7
82.06577	25.9
83.08611	40.5
87.04476	22.3
87.83443	14.1
87.84554	12.4
91.05521	15.1
93.07070	23.8
97.06479	14.8
97.10179	30.8
103.60038	12.4
107.08596	15.0
109.10191	16.4
121.10137	18.6
123.07549	15.2
149.13292	48.0
167.14302	26.4
225.72122	14.2
231.15988	26.3
264.26852	100.0
269.17459	74.1
287.18542	65.0
313.27505	47.1
522.30585	15.7
525.41553	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30688	9.6
70.06585	24.8
71.28613	14.5
72.08159	17.6
84.04509	13.8
84.08143	45.6
84.80522	9.2
86.09706	25.5
94.93015	32.7
95.11743	9.5
98.97540	12.2
101.00896	15.4
107.02539	12.2
108.69389	10.8
109.49554	9.1
119.01955	23.5
129.10222	29.4
131.01892	13.5
143.01941	14.2
145.03470	24.1
155.01837	16.9
173.02928	21.4
185.02966	20.3
199.04575	14.3
203.04037	18.9
221.05135	19.2
227.04050	13.0
231.03459	53.9
237.02692	21.8
249.04604	23.3
312.22437	10.3
313.04141	13.3
355.05118	29.7
373.06104	17.4
381.06320	22.0
382.06070	21.0
399.04962	44.6
400.07321	51.2
431.23486	10.6
456.14322	11.4
561.10352	100.0
561.18640	14.6
561.30188	15.6
562.17242	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20006	14.8
68.35291	16.4
69.21369	100.0
70.06589	31.7
72.08164	23.7
72.43192	17.9
76.23296	15.8
80.95042	14.4
84.08126	14.9
86.09712	37.6
116.53144	16.0
146.72522	19.0
208.00533	16.2
314.59344	16.3
322.06732	19.7
326.53723	19.1
354.08163	18.6
561.17371	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1944
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
56.64190	0.3
61.35001	0.3
69.20994	0.3
70.06593	1.3
71.06142	0.5
72.08178	0.3
75.94299	0.3
84.08157	0.6
86.09749	0.5
111.18549	0.3
133.63396	0.3
144.11859	0.3
175.03682	1.7
202.06012	4.0
219.06400	1.2
309.09460	0.4
351.10486	4.4
364.39722	0.3
365.12097	4.5
399.14133	7.2
400.14493	0.6
410.22809	0.3
416.25662	0.3
502.70108	0.3
511.14636	0.4
561.19397	100.0
562.19806	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	561.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05506	2.4
56.05034	2.7
60.04522	5.1
61.02902	1.5
67.05517	1.2
69.03426	6.7
69.07057	4.1
70.02955	2.4
70.06594	25.1
71.04977	1.2
71.29358	1.1
72.08159	14.1
74.02407	1.1
74.06067	3.0
81.03408	5.3
83.06124	1.1
84.04520	6.2
84.08148	17.7
85.02908	32.4
86.09706	100.0
87.05599	7.2
87.10048	2.8
87.83176	1.0
88.03992	6.3
91.05492	1.9
95.05009	1.2
95.08608	1.7
97.02901	8.9
98.06026	1.2
99.04447	13.4
101.07152	1.5
102.05547	2.7
103.03297	2.1
103.03942	32.8
105.07055	2.8
107.08597	1.9
109.02885	5.9
110.07162	6.2
112.07590	0.9
115.05084	1.0
115.08694	2.0
116.03442	1.1
119.08589	5.4
120.08130	1.7
121.06485	1.1
121.10130	2.5
123.08087	1.9
126.05424	1.2
127.03921	39.2
127.08656	1.3
128.10692	1.8
129.10240	13.0
130.04994	1.3
131.04951	1.4
131.08546	1.1
133.06093	13.2
135.08054	8.0
137.05959	3.2
141.06682	1.3
143.11856	1.5
145.04951	25.1
145.10115	2.4
147.04411	2.3
147.07802	1.1
147.11687	2.4
149.09608	7.9
151.07559	2.3
155.08264	1.1
155.11754	1.5
157.09836	1.7
159.07925	1.6
159.09196	1.5
159.11382	1.4
160.08809	2.4
163.06039	18.4
163.07401	2.0
163.11176	1.6
171.04019	2.0
173.09567	4.5
173.12857	17.9
175.11159	16.6
183.11278	5.0
185.05621	2.4
187.05952	2.4
188.06548	1.1
191.10692	4.9
192.96057	1.0
193.12239	2.9
199.06032	1.4
200.13721	1.1
201.09152	1.3
201.12343	14.7
202.08263	1.5
202.10773	1.2
203.11942	1.5
205.07086	2.3
207.10011	1.0
213.05145	1.4
215.13997	1.2
217.08145	1.2
219.10237	3.0
229.11728	5.8
230.07706	2.6
231.06175	5.4
237.11172	6.4
243.99852	1.0
248.08818	9.7
255.12224	1.6
256.12894	1.3
289.09171	1.8
296.19678	7.8
307.10266	2.9
316.15024	4.3
343.16125	1.3
344.14359	1.6
361.17203	5.4
397.02225	1.4
403.23416	1.7
429.23615	6.8
448.21140	2.1
479.57474	1.1
543.29156	2.8
545.63458	1.0
561.29437	6.3
562.29108	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	561.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14569	0.9
62.56819	0.8
65.82604	0.9
67.05508	1.2
69.03440	1.2
69.43008	5.0
70.06596	8.5
72.08150	2.9
74.61312	0.9
81.03423	1.5
84.08141	3.0
85.02905	1.5
86.09692	2.6
87.65455	0.8
95.08579	1.1
98.23326	1.7
103.03956	1.6
109.02876	1.1
120.08080	2.3
127.03872	2.7
132.10294	0.9
145.05013	1.1
161.09641	1.1
163.06081	1.1
287.07388	1.1
329.08444	1.2
347.09470	2.3
395.20599	2.9
397.18256	1.3
407.80191	1.0
411.20160	1.5
413.17484	1.1
417.20901	1.1
457.20297	10.7
458.21216	1.2
473.19925	2.2
499.25266	2.2
501.22693	1.4
561.25098	100.0
561.32098	3.8
562.25458	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	561.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52503	0.3
53.80544	0.2
55.05506	0.3
55.74263	0.3
67.05518	0.3
69.03436	0.4
69.07073	0.7
70.06592	1.5
70.65031	0.4
72.08159	0.9
73.02852	0.3
81.03169	0.4
84.08141	0.5
85.02915	0.7
86.09720	0.8
97.02905	0.3
99.04453	0.4
103.03972	0.4
105.06982	0.2
120.08129	0.6
127.03773	1.5
129.10252	0.5
142.88101	0.2
159.09245	0.5
185.04184	0.6
185.09544	0.3
203.05365	0.4
219.61523	0.2
267.08545	0.3
268.30402	0.3
285.09402	1.7
287.07294	1.3
313.16199	2.6
329.08347	1.8
345.20483	0.3
347.09442	3.6
395.20410	6.7
395.25220	0.5
396.20520	0.4
397.18326	3.2
398.18915	0.3
417.21027	0.3
439.19370	0.8
447.11334	0.2
457.20432	21.6
458.20773	1.8
459.21991	0.3
499.25253	0.9
499.31763	0.3
501.23141	0.6
561.25250	100.0
562.25665	9.2
562.31702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66198	3.6
53.03947	6.6
53.97607	3.8
57.42479	3.5
69.03436	13.9
69.09799	18.5
69.10201	9.3
70.06590	25.0
71.04996	6.4
72.08155	11.9
73.02925	5.5
81.03419	14.7
81.07086	5.1
84.04523	4.9
84.08155	7.8
85.02909	63.6
85.03376	6.1
86.09721	28.6
95.08623	4.1
97.02892	40.3
97.89653	3.4
98.22557	7.1
99.04460	51.8
103.03947	78.0
105.07050	6.4
109.02878	24.2
120.08154	4.5
121.02911	4.2
127.03919	100.0
128.10721	4.5
129.10306	3.8
133.10165	8.1
136.96756	4.2
145.04959	61.8
145.05978	6.0
163.06012	39.1
175.11165	3.9
193.12260	9.6
194.10722	4.0
201.90422	3.1
221.11829	10.8
239.12712	34.3
271.08170	11.6
288.11401	4.6
289.09320	8.5
307.10318	7.3
400.30814	8.9
443.29843	12.1
541.67529	3.9
562.36047	9.2
564.84479	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	562.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
54.45333	2.0
57.03434	2.8
59.18803	2.9
65.71491	2.5
69.03428	11.5
69.42960	6.2
69.43362	6.8
70.06596	13.4
71.04978	3.9
72.08161	8.3
73.02918	4.7
81.03421	16.5
84.08138	4.8
85.02905	65.5
86.09711	14.2
93.07039	2.8
97.02894	40.7
99.04449	42.3
103.03944	78.3
107.08592	3.6
109.02886	21.1
110.11694	2.4
119.08614	3.6
120.08076	3.1
127.03917	100.0
133.10120	5.0
145.04953	64.9
145.10085	3.1
163.06017	40.2
163.11276	3.0
165.09120	37.4
165.52618	2.4
175.11172	5.1
183.15103	2.4
187.06030	6.9
193.12294	6.2
203.10625	2.3
221.11786	8.2
239.12816	27.8
271.08179	10.1
289.09180	7.1
307.10245	6.5
315.03690	2.3
382.29407	3.5
400.30627	4.2
443.29800	3.8
562.35168	9.3
581.32959	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	562.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26646	0.4
52.30156	0.4
53.03954	0.9
53.21956	0.4
55.01860	0.7
55.05517	1.1
56.05031	1.4
57.03453	2.0
57.03674	0.4
58.06607	0.6
60.04512	0.8
61.02922	1.6
67.05496	2.1
69.03429	5.0
69.07050	0.6
70.06596	10.2
71.04356	0.4
71.04991	4.3
71.06931	0.4
71.07371	0.5
72.08155	100.0
73.02901	1.3
73.08492	1.0
78.91393	0.4
79.05504	2.2
81.03422	1.6
81.07058	1.9
83.04993	0.5
84.04503	1.5
84.08129	2.4
84.10891	0.4
85.02909	8.0
86.09702	9.3
87.04480	1.0
91.03902	0.5
91.05465	2.2
93.07037	1.9
95.04980	0.8
95.08604	2.7
97.02892	3.0
97.06555	1.1
99.04465	1.8
102.05559	0.8
102.09190	0.8
103.03947	2.1
105.07048	2.4
107.04946	0.5
107.08599	2.4
109.02898	1.5
109.06529	0.7
109.08884	0.5
111.08007	0.4
116.07100	0.6
117.07032	0.5
119.08566	0.6
120.08085	3.9
121.06511	0.4
121.10148	0.8
123.08051	3.3
124.11233	3.0
127.03917	3.6
129.07001	0.5
129.10237	1.0
130.06520	0.5
131.08595	1.4
132.08043	0.5
133.10095	0.4
136.07617	1.2
137.09648	0.8
145.05025	1.2
145.10188	0.6
147.11748	0.8
148.97427	0.4
149.09647	0.7
159.09180	1.7
160.09618	0.6
163.06084	1.2
163.11209	0.6
165.09166	0.6
171.70259	0.5
174.89774	0.8
189.12769	0.6
194.06607	0.4
203.10312	1.1
207.13722	0.5
229.25822	0.5
334.14304	0.5
346.27600	1.1
364.28448	2.8
365.28439	0.4
382.29480	9.2
383.30222	0.9
400.30579	24.7
401.31058	1.9
526.33514	0.9
544.34808	15.8
545.34937	1.2
562.35858	47.7
563.36060	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	562.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01870	1.0
55.05519	0.5
56.05035	1.1
57.03438	2.2
57.05811	0.5
58.06617	0.4
61.02926	1.4
67.05497	2.0
69.03429	4.1
69.07076	0.4
69.48898	2.0
70.06593	5.8
71.04998	4.0
71.07390	0.4
72.08157	100.0
73.02917	1.3
73.08488	1.4
79.05500	1.8
81.03421	2.0
81.07041	1.6
83.04999	0.7
84.04516	1.1
84.08153	1.4
85.02909	7.0
86.09707	4.4
87.04467	1.0
91.05484	2.1
93.07060	1.4
95.04963	1.0
95.08617	2.1
96.08138	0.4
97.02895	2.8
97.06567	0.7
99.04451	1.5
102.05543	0.4
102.09199	0.5
103.03921	1.5
105.07030	1.4
107.08624	0.9
109.02910	1.3
109.06525	0.3
109.10198	0.4
110.07144	0.3
111.08110	0.4
117.05484	0.5
117.07035	0.6
119.08595	1.1
120.08120	0.9
121.10165	0.4
123.08089	3.4
124.11244	3.1
127.03921	2.9
133.10149	0.5
137.09659	1.0
141.05542	0.6
145.05002	1.4
145.10088	0.4
147.11746	0.6
149.09625	0.4
159.06523	0.4
159.09169	0.5
161.13300	0.4
163.06035	0.9
163.11206	0.3
174.89719	0.4
175.15079	0.4
203.10461	0.4
221.11781	0.4
225.12416	0.3
239.12729	0.4
240.09845	0.4
279.20871	0.4
307.10300	0.4
346.27423	0.8
364.28369	3.2
382.29547	9.3
383.30051	0.6
400.30579	22.8
401.31027	1.4
544.34790	15.5
545.35211	1.3
548.60547	0.3
562.35858	55.1
563.36279	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	562.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17241	6.5
55.05517	12.9
57.07077	10.9
67.05520	56.1
69.07079	11.2
69.86115	31.6
72.88145	7.4
79.05516	23.8
81.07060	72.3
83.08619	11.9
91.05478	13.1
93.07056	18.2
95.08611	45.9
109.10172	29.7
121.10139	17.6
123.11710	20.0
135.11671	11.5
137.13295	13.7
147.11716	12.6
159.16643	7.0
161.13293	8.5
163.14912	14.5
165.16429	12.2
175.14900	10.4
233.33676	8.5
245.22729	63.2
263.23767	100.0
334.43622	8.1
337.27286	45.4
357.05875	7.4
404.23837	7.8
419.71967	8.3
452.03751	8.8
456.54251	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	562.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18922	7.8
53.96922	9.0
55.05509	41.8
57.03445	9.4
57.07070	19.0
67.05508	100.0
69.03442	18.3
69.07066	35.1
69.34217	12.8
69.34608	57.5
71.04996	10.4
79.05505	31.8
81.03437	20.7
81.07059	93.8
83.08600	48.0
85.02904	14.2
86.09708	19.6
91.05497	21.1
93.07054	41.7
95.08614	79.4
97.06536	15.0
97.10163	23.4
98.23345	21.2
105.07040	35.0
107.08610	21.9
109.02875	21.5
109.10166	40.6
111.08103	9.1
111.11767	10.1
119.08609	18.3
121.10119	17.8
123.11713	16.5
125.09610	19.9
127.03858	9.9
132.99547	16.8
133.10149	21.4
135.11676	12.7
147.11635	12.6
156.33154	9.3
161.13213	15.3
163.14848	10.8
164.95430	10.9
165.67656	9.5
179.01976	9.3
184.07364	13.9
189.11192	11.6
191.00142	12.4
202.36661	11.0
203.63632	9.8
213.11188	12.1
239.54846	9.7
245.22629	45.8
263.23749	69.9
265.39880	10.3
337.27356	41.0
383.20346	16.9
401.22000	11.5
503.23532	18.3
560.45673	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	563.2335
Annotation	Kunzeaphlogin D
Peak:m/z	Relative Intensity
53.03949	8.4
56.61480	5.0
59.29060	5.7
60.00116	4.8
64.07590	4.7
69.03432	19.0
69.25144	45.8
70.06602	36.3
71.04995	8.6
72.08150	10.1
72.86250	4.9
77.79232	5.1
79.05486	19.0
81.03423	21.5
81.07076	8.0
83.04991	9.8
85.02903	67.9
86.09708	20.9
87.41505	5.8
91.05486	11.6
93.07050	6.2
97.02899	35.1
98.23467	9.9
98.55930	5.7
99.04465	49.8
103.03941	79.5
105.07030	17.4
107.04930	8.1
109.02870	22.9
109.06656	5.6
111.04443	17.5
111.08102	7.1
119.08601	11.4
120.08058	10.8
121.06518	7.3
127.03919	100.0
129.05447	28.2
129.10199	6.1
133.10109	9.9
135.08063	18.2
137.05995	8.0
142.07791	11.1
143.08560	6.7
145.04976	63.7
147.08064	6.6
147.11659	6.3
149.09595	50.4
155.80235	5.4
157.10172	6.7
161.09607	26.1
163.06068	30.5
163.11151	6.8
165.09114	17.4
173.09535	6.9
175.11212	23.2
178.69295	5.5
191.10628	11.8
203.10658	37.2
207.63255	5.3
211.44974	6.1
221.11731	20.7
239.12756	65.5
407.06866	6.6
443.10010	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	563.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01868	4.7
56.05038	5.4
57.32137	4.3
65.86151	4.4
68.60253	5.1
69.03446	23.6
69.71674	18.6
70.06594	38.2
71.05011	5.2
72.08154	9.0
75.14307	4.7
79.05502	13.3
81.03425	23.9
81.07051	6.5
84.04508	8.0
84.08151	14.5
85.02907	76.1
86.09705	29.5
91.05484	15.5
93.07064	9.4
95.04968	10.5
95.08611	6.7
97.02895	39.1
99.04448	54.4
103.03941	81.5
105.07041	12.3
107.04955	13.9
107.08607	10.4
109.02881	20.7
109.06541	9.4
109.10177	5.0
110.07179	9.1
111.04448	11.7
111.08068	5.2
112.08733	6.0
115.05560	4.7
119.04961	8.9
119.08569	10.1
120.08141	13.2
121.06506	13.8
123.08105	7.5
127.03921	100.0
129.05501	29.1
129.10257	14.3
133.06514	6.0
133.10167	9.8
135.07133	5.9
135.08040	31.0
136.07552	5.4
137.06079	5.0
142.07808	5.7
145.04968	54.4
145.10188	5.9
147.11823	4.7
149.09621	53.7
151.11136	8.1
153.09070	5.1
157.10188	9.7
160.09006	5.4
161.04134	4.1
161.09625	39.9
163.06029	30.5
163.07289	6.5
163.11128	10.3
165.09129	19.9
175.11172	31.9
179.10669	7.5
191.10692	17.6
203.10651	39.8
221.11703	33.3
230.07785	6.3
239.12784	85.4
240.13039	10.1
271.08047	6.3
337.25070	4.5
395.06918	5.0
436.95123	4.6
528.25824	5.0
563.33270	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	563.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.08810	0.6
57.07079	1.9
67.05497	3.1
69.07072	2.3
69.08714	6.2
71.05009	0.7
71.08634	1.2
79.05520	1.5
81.07071	3.9
82.06593	1.0
83.08632	1.0
86.70332	0.7
91.05455	1.8
93.07036	1.4
94.06554	2.5
95.07311	0.8
95.08614	2.4
105.07048	1.7
107.08587	1.0
108.08024	0.6
109.10178	1.3
119.08601	1.3
133.10075	1.0
147.11734	1.0
173.81834	0.8
251.12439	5.3
262.25323	9.4
263.25620	5.0
280.26486	0.7
281.26633	0.9
307.14966	4.5
313.27429	0.9
399.82944	0.8
563.39148	100.0
564.39636	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	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.5
55.01867	5.7
55.05502	7.3
61.02901	5.1
66.38774	3.6
67.05501	4.4
69.03431	10.5
69.28957	30.1
70.06587	35.3
72.08152	10.3
79.88095	3.9
81.03417	12.3
83.04991	10.3
84.08150	5.3
85.02905	70.1
86.09714	21.7
93.07019	5.5
95.04982	4.5
95.52267	4.7
97.02905	19.1
99.04451	36.7
103.03940	81.7
105.07043	5.1
107.04910	5.1
109.02885	22.8
119.04930	10.7
119.08590	5.0
120.08092	4.9
121.02867	39.7
121.03763	5.0
121.10162	4.1
123.08068	4.8
125.06021	6.1
127.03918	91.1
128.67151	4.5
129.10248	5.3
136.07588	10.1
141.10153	5.6
145.02855	6.7
145.04958	65.6
159.11699	5.6
163.06024	59.0
163.11131	10.5
177.01854	4.6
191.03375	5.3
194.11182	4.1
195.02905	6.3
203.03354	20.8
205.12152	20.3
207.02913	5.0
215.03464	9.2
217.04845	4.6
223.13257	32.1
255.02724	4.4
271.08163	8.7
279.06488	6.4
289.09134	11.6
290.28638	4.4
294.05261	11.6
295.06009	76.8
296.06509	4.6
299.62323	5.3
307.06000	52.6
307.10110	23.6
308.06702	15.1
309.04242	4.6
309.07541	14.3
313.07117	7.9
317.08118	5.7
319.05920	7.8
320.06876	7.6
321.07587	47.2
322.08356	6.9
325.07098	48.3
325.54980	5.1
333.07547	24.1
335.09119	19.6
337.07104	39.1
339.08606	4.7
345.07462	13.8
347.08929	7.6
349.07117	53.9
351.08594	22.6
355.08154	5.8
359.09174	9.5
361.06790	31.9
363.08752	30.1
367.08200	7.1
373.06894	14.9
375.08817	8.9
379.08142	59.9
387.08572	7.3
391.08084	56.9
403.08047	13.7
409.09116	63.0
415.08118	13.9
421.09085	10.0
427.10251	87.8
430.14294	5.5
433.09186	21.4
439.10410	7.9
441.85477	4.4
445.09683	9.6
452.51297	4.0
457.10617	13.3
463.10172	10.2
475.10925	10.4
481.11420	26.0
493.11118	12.4
499.12064	24.3
511.05420	6.3
511.12390	100.0
529.13574	42.1
538.59692	5.1
547.14404	16.7
557.12268	4.4
564.34320	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	564.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.05502	7.2
57.03427	3.7
59.55548	3.4
69.03426	17.5
69.86019	7.1
69.86413	9.3
70.06590	21.4
70.49040	3.2
72.08174	4.5
74.89456	3.4
81.03407	18.7
81.07052	3.3
83.04990	10.6
83.36705	3.7
84.08139	6.9
85.02902	78.2
86.09696	20.5
87.78228	3.9
91.05497	9.1
93.07066	6.8
95.04950	3.6
95.08625	5.5
97.02863	18.6
99.04453	40.1
99.08126	3.8
103.03938	99.0
107.08572	5.2
109.02872	19.6
109.06493	6.8
119.04926	7.7
119.08531	5.0
120.08102	4.1
121.02866	25.6
121.10149	6.2
122.17023	3.6
123.08045	5.8
127.03907	100.0
136.07594	14.0
137.09607	4.2
145.04959	70.1
147.08037	7.6
156.37923	4.0
158.09225	4.4
159.11731	5.3
161.09608	3.8
161.43576	4.5
163.06021	76.5
163.11203	17.2
165.09116	7.8
175.11916	6.1
177.01842	4.4
189.01755	4.9
203.03409	10.1
205.12259	20.9
217.04947	4.4
223.13272	31.3
241.04956	5.0
271.08185	11.0
283.05923	4.9
289.09235	10.2
293.08078	3.9
294.05270	7.6
295.06003	45.5
297.07596	5.3
307.06006	25.4
307.10211	29.4
308.06860	8.9
309.07553	5.9
317.07617	4.5
321.07513	23.4
325.06961	34.5
333.07605	12.4
335.09067	10.7
337.07098	20.8
345.07477	11.1
349.06943	28.6
351.08676	10.2
361.07037	12.2
363.08545	11.9
373.07016	7.3
375.08691	7.8
379.08194	40.5
387.08490	5.0
391.08105	29.2
403.07755	7.2
409.09061	49.5
427.10214	51.0
433.09271	9.4
445.09494	10.4
457.10956	9.1
463.09439	5.6
475.11093	6.5
481.11340	20.5
493.11215	14.5
499.12106	14.1
511.12442	57.2
529.13373	30.3
547.14020	5.1
564.35150	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01885	3.9
55.05500	16.4
56.05040	3.0
57.03441	3.0
67.05493	8.8
67.18354	2.8
69.03439	18.4
69.07058	5.4
69.36211	23.7
70.06598	21.3
71.04982	12.1
72.08150	21.5
76.03831	2.7
77.01096	3.5
79.05486	15.5
81.03432	22.4
81.07048	13.1
83.04974	16.8
83.08617	56.7
84.08148	3.4
85.02908	45.0
85.06532	4.6
86.09711	32.6
91.05481	25.4
93.07042	15.8
95.04980	6.0
95.08597	15.8
97.02892	35.3
97.06532	7.3
98.22662	4.5
99.04459	46.9
103.03942	42.5
105.07037	28.5
107.04973	6.4
107.08593	100.0
109.02862	21.9
109.06482	3.8
109.10144	16.0
111.08040	3.3
117.07021	15.8
119.04961	4.0
119.08587	35.3
120.08105	12.0
121.02869	8.9
121.06467	4.8
121.08427	3.7
121.10140	17.5
123.08058	11.0
125.05990	12.0
125.08733	5.6
125.09630	89.8
127.03918	62.0
127.07587	6.7
129.06995	3.9
131.08559	9.2
133.10114	34.8
133.10966	4.7
134.26266	3.4
135.08105	3.6
135.11700	17.5
137.09586	8.3
139.07603	3.8
143.08551	5.7
143.11818	5.5
144.09308	10.4
145.04958	23.0
145.10114	42.2
147.04373	4.7
147.07983	16.7
147.11656	9.4
151.07536	4.0
153.12740	8.2
159.11707	42.5
161.09612	4.6
163.06021	13.4
163.07358	3.2
163.11157	24.1
165.09158	19.6
167.07141	7.1
175.11182	4.0
177.12791	19.2
178.10310	3.5
179.10698	5.8
181.12227	49.9
187.06046	7.7
187.11218	11.1
191.06999	3.7
193.12251	22.3
203.03506	3.8
205.12222	70.1
207.06485	5.6
207.13741	3.4
223.13329	27.9
271.06067	10.8
272.06348	8.3
295.06012	12.8
307.05923	11.5
307.09927	4.2
321.07623	7.6
325.06995	11.2
335.08762	4.1
337.06964	8.9
347.08987	3.8
349.07129	9.4
351.08688	5.6
361.07050	5.4
363.08646	4.2
373.07117	5.1
379.08035	11.0
391.08133	12.9
409.09024	10.4
427.10330	19.3
433.09509	3.7
433.80914	3.5
440.17459	3.6
481.10977	6.3
509.48859	3.4
511.12469	15.2
529.13434	8.4
547.14447	4.0
564.37152	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	564.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05510	2.9
58.06608	1.9
67.05516	3.6
69.01911	11.3
69.02320	2.2
69.03426	7.4
69.07068	3.7
70.06592	8.7
71.04980	2.5
72.08142	8.1
73.02882	2.2
74.29244	1.6
79.05490	4.8
81.03413	5.7
81.07063	7.1
84.08137	2.9
84.64458	1.5
85.02907	23.6
86.09708	37.8
91.05477	14.5
93.07038	6.0
95.08612	2.0
95.64462	1.4
97.02888	11.8
99.04472	15.5
103.03947	27.3
103.05494	2.9
105.06387	2.3
105.07042	33.9
105.25677	1.6
107.08602	10.4
109.02884	8.6
117.05472	1.7
117.07019	6.6
119.08585	80.5
120.08115	51.2
121.02900	4.3
121.06506	2.7
127.03920	35.3
129.10268	2.2
131.08566	12.4
133.10124	9.3
135.11691	10.2
144.09343	5.6
145.04982	20.6
145.10161	1.8
147.11685	7.4
149.06006	3.5
157.10115	2.1
159.11707	71.5
160.12006	2.6
161.13246	31.9
162.13625	2.3
163.06038	24.8
163.07423	2.2
177.12744	13.3
183.11247	1.8
187.05971	2.2
187.11221	3.6
193.12259	2.8
201.12242	2.0
205.12248	100.0
206.12538	3.9
207.13786	3.3
217.15515	3.2
223.13232	3.1
233.16536	4.4
235.10754	1.7
261.16003	3.3
271.08289	3.0
286.13971	1.9
295.05954	5.2
307.06296	3.4
307.10202	8.1
321.07623	4.3
325.07056	5.9
330.18253	8.1
333.07584	2.3
337.07092	4.3
348.19086	3.2
349.07043	6.2
351.08719	2.6
359.08942	2.2
379.08170	5.0
391.08139	4.2
409.08987	7.1
427.10138	6.5
433.08862	2.1
433.27890	3.6
457.09796	1.9
481.11356	3.8
499.12451	3.7
511.12576	8.8
517.84326	1.7
529.12982	3.1
564.24225	2.7
564.32874	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	564.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.05513	9.3
57.03429	6.5
67.05523	14.9
69.03421	38.0
69.07059	15.3
69.08554	22.9
69.08971	41.3
70.06599	14.2
71.04987	13.1
72.08171	11.4
74.40472	6.7
79.05473	7.9
79.26221	6.1
80.70228	5.9
81.03403	35.5
81.07060	14.5
85.02901	74.3
85.06522	7.3
86.09676	9.0
91.05488	13.5
93.07055	15.8
95.04983	7.4
95.08620	13.8
97.02897	44.6
99.04467	61.9
103.03947	53.8
104.69855	7.7
105.07041	15.3
107.08598	25.0
109.02866	27.0
109.06558	8.1
109.10162	89.6
117.07013	14.9
119.08590	22.8
121.02815	14.4
123.08031	6.7
123.39562	7.6
125.24878	7.8
126.11382	6.8
127.03934	100.0
127.11211	13.4
129.05466	16.3
133.10120	19.4
135.08032	40.0
138.49484	7.3
142.14143	6.9
145.04994	43.4
145.10097	10.3
147.08040	22.2
147.11641	9.9
156.07649	6.8
163.06078	8.0
163.11166	10.7
165.09120	7.5
167.07065	8.4
175.11224	27.4
187.06062	11.5
193.12274	40.7
205.12228	17.7
217.05217	7.6
223.13293	11.0
229.60995	6.7
295.06039	16.9
307.06000	15.5
321.07532	15.5
325.07089	23.7
333.07590	14.5
337.07037	14.7
349.07068	16.6
351.08923	8.3
368.69250	8.2
379.08142	13.5
391.08020	19.9
409.09106	25.1
427.10275	34.1
433.09174	9.0
463.10727	10.2
481.11404	8.9
499.12396	13.5
511.12247	29.7
529.13403	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	564.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
58.50828	0.7
62.14659	0.7
69.03427	1.6
69.57240	2.6
70.06595	3.6
72.08160	2.0
72.75347	0.6
73.02911	0.7
73.06557	1.4
81.03442	2.1
84.08110	0.7
85.02901	6.8
86.09705	3.2
87.04469	11.4
89.06032	100.0
90.06397	1.7
91.07584	1.3
94.38246	0.6
95.04987	0.8
97.02889	1.6
98.23339	0.8
99.04453	3.2
103.03954	8.9
107.07048	1.5
109.02884	0.9
110.67852	0.7
117.09121	1.6
119.04936	0.9
120.08090	2.0
121.02863	3.0
121.10030	0.7
123.08037	1.0
127.03935	7.9
130.08638	1.0
131.07042	3.0
133.08603	61.9
134.08934	1.1
135.11754	0.9
145.04959	5.1
163.06046	4.4
175.09642	2.1
177.01865	0.9
177.11221	19.5
177.12785	1.1
178.11598	0.9
187.11192	0.9
191.03384	1.2
195.02824	0.8
203.03482	1.4
205.12219	1.2
207.03040	0.9
215.03484	0.9
221.13759	4.2
223.13329	6.3
265.16705	0.9
273.03699	0.8
283.17432	0.8
294.05338	0.9
295.06003	5.0
297.07440	0.7
307.06055	4.0
307.09518	0.9
307.55453	0.7
308.06790	1.3
309.07593	1.7
309.19263	1.4
320.06665	0.8
321.07635	3.8
325.07077	4.0
333.07553	2.6
335.09204	1.6
337.07062	4.0
345.07535	1.4
347.09241	0.7
349.07089	3.2
351.08789	1.0
361.07187	2.3
363.08490	2.2
370.71292	0.7
373.06964	1.0
379.08209	5.7
384.31644	0.9
391.08051	3.6
409.09116	6.0
427.10272	6.0
433.09308	1.7
481.11136	2.9
493.10803	1.3
496.19092	0.8
499.12296	1.7
503.30737	0.9
511.12421	6.7
529.13257	2.4
547.32996	3.6
564.37067	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	564.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01870	2.0
55.05512	25.7
57.03442	15.5
57.07075	3.0
61.75884	1.8
65.03940	6.6
67.05506	88.9
69.03410	1.9
69.07074	21.6
69.58251	5.9
69.58659	3.8
71.04985	4.7
71.08621	2.1
75.31777	1.7
78.51749	1.9
79.05494	58.5
81.03420	3.3
81.07059	94.0
82.07373	2.1
83.04989	5.2
83.08612	12.2
85.06541	2.9
87.73771	1.8
91.05479	38.9
93.07042	67.1
95.04971	5.1
95.08610	46.5
97.06528	8.6
97.10187	2.9
98.23305	4.2
98.88965	2.1
105.07032	17.1
107.08589	36.6
109.06541	3.6
109.10142	15.1
117.07023	10.4
119.08559	11.1
121.06530	2.9
121.10147	15.9
123.11708	4.7
126.19874	2.3
130.50090	1.8
131.08557	11.6
133.10121	14.7
135.11662	12.3
139.07571	10.8
145.10155	4.6
147.11716	6.4
149.13239	17.0
159.11703	10.2
160.90378	1.9
161.13286	2.0
173.13107	2.1
177.12761	3.7
195.13741	14.7
221.26294	2.5
235.60303	2.0
261.22177	7.0
267.15936	2.1
269.17474	59.7
270.17847	2.7
277.97046	1.8
281.29480	2.1
282.27960	4.4
310.30917	2.7
335.25806	100.0
336.26120	8.4
453.01501	1.9
529.38831	50.0
530.39160	5.5
565.45959	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	565.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
61.02936	4.0
69.03427	3.3
70.33348	5.7
85.02905	5.0
102.56030	2.5
105.39370	2.8
107.04959	4.6
119.04966	10.7
121.02876	49.8
145.02835	8.0
161.02408	2.7
164.14000	2.4
175.03928	3.6
177.01897	6.9
179.03481	2.8
187.03900	5.0
189.01859	11.2
191.03383	6.5
195.02904	8.9
199.03886	3.8
203.03444	22.8
207.02913	11.9
211.03972	3.4
215.03397	9.8
217.04933	7.8
219.02893	3.6
221.04514	2.8
227.03383	3.4
231.02908	2.8
233.04575	3.0
241.04996	5.2
243.02959	4.2
261.33945	2.7
267.06458	4.0
268.07498	5.5
279.06516	5.2
281.08023	4.4
283.06009	7.1
289.08524	3.4
293.08047	6.0
294.05219	21.0
295.02676	5.2
295.06021	100.0
296.06631	13.7
297.07516	10.4
307.06015	64.1
307.09338	5.6
308.06717	28.6
309.07520	25.7
313.06964	4.3
317.08099	6.9
319.06027	5.3
320.06662	8.3
321.07547	63.3
322.08203	16.5
323.05542	4.3
323.08847	12.6
325.07050	72.3
326.07419	6.8
333.07513	27.2
334.08160	7.5
335.05429	5.0
335.09103	28.3
336.06128	4.9
337.07001	54.8
345.07593	17.8
346.08261	3.7
347.09161	11.7
349.07047	61.1
350.07477	5.5
351.08600	25.5
355.08075	7.7
359.09320	7.1
361.07016	31.2
362.07724	6.2
363.08521	22.6
367.08084	11.5
373.06961	15.0
375.08704	20.5
377.10257	4.0
379.08136	85.2
380.08163	5.1
387.08649	14.2
391.08112	54.8
392.08255	4.3
393.09430	2.8
397.09152	20.6
399.08533	3.9
401.10135	4.0
403.07959	18.1
405.09518	8.5
409.09174	75.2
410.09396	4.6
415.07642	14.9
417.09717	3.4
421.09171	13.5
427.10272	89.3
428.10532	7.8
429.09769	3.8
433.09250	29.1
439.10339	7.7
445.10522	15.2
451.10172	13.0
457.11224	22.5
463.10208	8.8
469.11230	20.1
475.11182	11.2
481.11365	44.1
493.11218	20.9
499.12405	38.3
511.12314	84.8
512.12427	6.5
529.13544	45.2
530.13562	3.7
547.14343	23.1
565.15472	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	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78841	2.2
53.03949	2.0
55.01860	4.9
57.03437	3.6
65.03959	2.2
66.35452	2.0
66.70640	1.7
70.47897	5.4
72.23963	1.9
73.54077	2.1
81.03412	2.3
85.02890	6.0
91.05484	3.2
93.03398	1.9
95.65450	1.8
104.22814	1.9
107.04972	4.9
109.02886	2.3
111.04420	2.8
119.04934	13.9
121.02871	63.2
121.06459	2.9
133.02879	3.2
135.04373	2.7
145.02879	11.8
147.04404	2.7
161.02309	2.5
163.03908	2.4
171.04401	3.3
173.31113	1.9
175.03876	4.2
176.01082	2.5
177.01880	8.8
179.03429	3.9
179.15492	2.1
181.05081	2.1
187.03876	4.9
189.01772	15.3
189.05550	2.6
190.02504	1.9
191.03423	8.9
195.02907	9.5
199.03912	3.8
200.04643	2.2
201.05453	2.1
203.03394	28.9
205.04970	2.9
207.02896	8.2
209.04109	2.6
211.03819	3.0
213.05341	3.3
213.74518	1.8
215.03455	15.6
217.04982	9.5
219.02913	6.1
221.04434	5.3
227.03394	3.1
229.04982	5.1
231.02795	3.1
233.04381	5.7
241.04932	4.9
243.02831	6.1
245.04544	5.9
257.04575	2.6
263.07187	2.1
267.06555	3.5
268.07327	5.0
272.32025	2.3
273.03918	2.8
279.06564	7.8
281.04565	3.2
281.07996	5.7
283.05966	11.8
291.06464	4.7
292.07315	4.7
293.08188	5.8
294.05273	22.3
294.08554	3.1
295.06006	97.4
296.06528	11.7
297.07486	8.6
305.08035	5.8
306.08823	4.2
307.06018	67.6
307.09351	3.7
308.06772	27.6
309.07568	28.6
313.07037	4.2
317.08087	6.9
319.06036	8.3
320.06793	15.2
321.07544	62.6
322.08084	12.9
323.05649	4.6
323.09207	8.5
325.07034	61.8
326.07584	4.9
329.08069	4.9
331.06363	4.2
333.07574	36.0
334.08316	7.5
335.09055	30.5
336.06284	5.0
336.09775	3.9
337.07065	63.7
338.07474	5.8
339.08667	6.1
343.09766	2.3
345.07565	25.0
346.08115	2.7
347.09320	10.4
348.05975	4.3
349.07034	69.0
349.11115	4.9
350.07602	3.9
351.08575	30.8
355.08160	9.2
359.09052	7.0
361.06989	36.7
361.10941	4.0
362.07416	3.8
363.08578	32.0
367.08118	11.8
371.09216	2.4
373.07068	18.1
375.08722	14.8
377.10342	3.8
379.08112	75.6
380.08679	9.8
387.08646	13.8
389.10486	2.5
391.08087	68.0
392.08517	5.6
393.09457	4.1
399.08508	2.8
401.10349	5.2
403.08289	16.8
405.09482	3.9
409.09189	92.9
410.09518	11.5
415.08102	14.1
417.09616	4.0
421.09198	14.1
427.10251	100.0
428.10385	7.5
429.09714	4.0
433.09131	33.6
434.09732	3.8
439.10083	9.3
445.09348	11.7
447.10303	2.2
457.11188	16.0
463.10199	15.2
475.10742	13.0
476.11453	2.4
481.11285	39.1
482.11697	3.5
493.11240	22.0
499.12387	19.0
511.12332	92.4
512.12720	13.7
529.13379	36.9
547.14417	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	565.1546
Annotation	Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	7.2
61.02920	2.8
69.81032	6.9
85.02911	3.5
89.88268	1.9
91.05501	3.6
93.03437	2.3
100.55544	1.8
107.04906	2.6
109.02859	3.1
111.04441	1.9
119.04951	14.0
121.02860	54.4
133.91536	1.9
145.02872	8.5
147.04518	2.3
159.04364	2.5
163.03920	4.3
171.04427	3.4
175.03926	4.4
177.01884	8.6
179.03357	2.9
187.03851	4.1
189.01790	13.7
191.03453	5.8
195.02908	10.1
199.03864	3.7
201.01855	2.5
203.03371	24.0
205.04909	3.4
207.02869	7.6
211.03882	2.2
215.03288	10.4
217.04948	8.3
219.02972	5.6
221.04399	4.7
227.03418	5.7
229.04900	2.4
233.04440	5.1
241.04945	3.2
243.02934	5.3
245.04478	3.9
255.02995	1.9
261.03961	1.9
267.06418	2.3
268.07233	4.0
269.04410	3.4
279.06607	3.4
281.08191	4.0
283.06000	9.4
284.06601	2.4
285.93369	1.9
291.06680	3.2
292.07315	4.7
293.08078	4.8
294.05246	19.8
295.05997	82.6
296.06595	7.4
297.07590	7.9
298.79224	2.1
305.08020	4.5
307.06024	61.1
307.09375	3.9
308.06711	18.8
309.07556	19.6
313.07016	4.1
317.08066	5.2
319.06107	6.7
320.07001	9.5
321.07556	52.4
322.08231	9.4
323.05402	2.7
323.09155	5.3
325.07022	56.3
326.07901	2.3
329.08047	5.2
333.07550	30.6
334.08139	4.7
335.05453	4.0
335.09140	30.6
336.06082	6.4
337.07089	55.2
338.07242	3.7
339.08612	4.4
345.07529	19.4
347.09085	6.8
349.07059	64.7
349.10553	2.3
350.07605	5.5
351.08646	25.5
355.08145	8.1
359.09070	7.2
361.06964	36.2
361.10574	2.5
362.07501	2.9
363.08652	27.0
367.08173	10.6
373.06998	15.3
373.11115	3.0
375.08572	17.7
377.10120	2.7
379.08105	66.7
380.08389	2.4
387.08450	11.3
389.10611	3.4
391.08072	65.5
393.09436	2.6
399.08444	2.9
401.10004	4.0
403.08011	14.3
405.09695	5.6
409.09143	81.4
410.09686	3.6
415.08121	14.7
417.09799	3.9
421.09445	11.9
427.10245	92.8
428.10855	4.6
433.09216	21.7
434.09415	3.6
439.10226	7.7
445.09598	9.5
457.11240	11.4
463.10129	10.9
475.11041	14.7
481.11255	33.6
482.11557	2.8
493.11301	22.8
499.12283	23.8
511.12354	100.0
512.12848	4.6
529.13373	44.1
530.13696	3.3
547.14526	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	565.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10753	0.8
56.05029	0.8
57.68525	0.7
69.70113	3.8
70.06591	9.3
72.08155	2.7
72.38589	0.7
74.46862	0.7
81.03406	2.9
84.04512	1.3
84.08140	2.7
84.22749	0.8
86.09705	2.3
91.05450	0.7
93.07049	0.9
95.06112	0.8
97.02891	1.0
98.06020	0.8
98.22739	1.4
103.05458	3.1
107.04982	0.8
112.08743	1.5
120.08107	100.0
121.08458	2.3
127.03945	0.9
129.10248	2.3
131.04929	1.4
133.65587	0.8
136.06186	8.4
136.07585	1.4
143.01451	0.8
149.06053	1.8
163.03865	1.3
166.08635	39.9
167.08997	1.1
173.85997	0.9
177.10236	19.9
205.09760	2.0
223.10777	44.8
224.11087	1.3
241.14218	1.0
256.98444	1.0
332.07385	1.8
511.12549	1.0
565.28094	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	565.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54316	0.9
53.56892	0.9
56.05031	1.0
64.84164	1.0
69.96819	4.1
70.06593	12.0
72.08141	2.2
74.06074	1.1
78.06952	1.0
81.03414	2.8
84.04504	3.0
84.08131	4.4
85.02899	1.3
86.09695	2.9
88.65761	0.9
89.34246	1.0
97.02937	1.4
102.05528	1.1
103.05472	2.7
107.04962	1.9
110.07140	2.4
112.08667	1.1
120.08105	100.0
121.08437	2.5
127.57974	1.1
129.10283	2.7
131.04947	1.6
136.06186	11.1
149.05980	2.4
153.06578	1.0
158.39395	1.2
163.03847	1.0
166.08641	44.6
167.08980	1.1
177.10242	21.1
205.09784	2.8
223.10773	42.9
234.38829	1.0
252.43860	1.0
332.07388	1.8
337.07379	1.4
400.29507	1.1
424.05469	1.1
565.27716	3.0
565.34326	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	565.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01873	3.0
55.05517	14.9
57.03432	7.4
59.04982	2.3
61.02949	2.2
67.05502	5.6
69.03428	12.2
69.07052	3.2
70.06252	2.8
70.06595	33.1
70.81719	3.2
71.05000	10.3
72.08154	19.2
73.02931	2.1
74.06072	2.3
79.05486	8.0
81.03414	17.0
81.07046	7.5
83.04981	17.1
83.79832	1.9
84.04496	6.6
84.08150	17.5
85.02908	63.3
85.06522	4.2
86.09710	19.2
86.16586	2.2
87.04456	3.7
87.10012	2.3
91.05481	9.4
93.07042	14.8
95.04950	6.4
95.08608	16.1
97.02900	15.9
97.06513	8.8
99.04454	40.6
102.05584	2.2
103.03942	80.7
104.04293	3.2
105.07036	11.9
107.04935	2.8
107.08585	21.1
109.02882	19.3
109.06510	8.6
109.10142	15.9
110.07159	4.7
111.08093	7.1
112.07602	3.6
113.05968	2.7
115.08720	2.5
116.07107	2.6
117.06964	3.4
119.04929	6.7
119.08578	20.1
120.08131	13.3
121.02860	17.7
121.06496	4.9
121.10135	25.8
123.08064	32.1
123.11758	2.1
125.09619	9.1
127.03916	78.2
127.07538	2.3
129.10213	13.4
130.06516	2.2
131.04860	2.0
131.08591	4.9
132.45660	1.8
133.10132	10.4
135.08075	6.6
135.11682	15.1
136.07567	4.7
137.09624	41.7
139.07523	2.1
139.11179	2.8
144.09337	3.5
145.02814	3.5
145.04962	46.7
145.10100	3.9
147.08058	3.9
147.11661	3.1
149.09630	47.2
149.13246	7.8
151.07565	17.6
151.11188	8.3
153.09035	4.9
153.12718	2.7
159.11684	15.6
161.09607	8.2
161.13229	2.1
163.06036	35.1
163.11189	12.6
164.12007	5.4
165.09082	4.2
171.11565	2.4
175.11237	2.4
177.12740	34.2
178.13063	2.5
179.10706	20.3
181.12253	23.2
187.05971	3.9
187.11142	4.8
189.01785	2.2
193.12341	3.4
195.02831	4.7
195.13838	5.3
203.03365	7.5
205.07121	4.5
205.12250	28.2
206.12514	2.7
207.02832	3.1
207.06476	7.2
223.13281	42.1
241.14343	100.0
242.14813	3.0
243.02711	3.4
259.15414	62.0
260.15668	2.4
271.08109	5.7
280.07269	2.3
283.05942	3.2
289.09164	4.0
294.05170	7.9
295.06021	27.1
296.06174	2.9
297.07556	2.6
307.05975	16.8
307.10159	6.5
308.06635	8.4
309.07523	8.1
317.07880	2.7
319.05975	3.0
321.07529	15.8
325.07022	22.8
329.14569	3.4
333.07474	7.2
334.08139	2.5
335.09183	8.0
337.07083	17.7
345.07700	4.7
347.09143	2.6
349.06949	17.8
350.07404	2.2
351.08572	8.3
355.07867	2.4
361.07013	11.7
363.08597	7.8
373.07095	4.9
375.08499	5.2
379.08160	22.9
380.08359	2.5
387.08469	3.8
391.08038	19.2
401.10004	3.7
403.08170	5.9
409.09171	24.2
410.09131	2.4
415.07614	4.3
427.10272	32.0
428.10364	3.1
429.09589	2.8
433.09241	10.3
439.10184	2.2
445.10126	3.7
457.10770	5.9
463.10175	2.6
475.11386	3.2
481.11575	12.7
493.11450	5.7
499.12354	6.5
511.12485	28.2
524.21405	2.1
529.13226	11.3
547.14447	3.6
565.30347	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	565.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15725	0.5
54.36995	0.5
55.01870	0.6
55.05504	1.3
60.31471	0.6
62.98849	0.6
66.31661	0.6
67.05516	1.3
69.03432	0.7
69.07082	1.0
74.57487	0.6
79.05486	1.0
80.45354	0.6
81.07069	1.1
83.08607	1.1
91.05464	1.7
93.07050	1.1
95.08606	1.9
97.06551	1.0
105.07028	2.2
106.07370	0.9
107.08569	1.6
108.08885	0.9
109.10123	0.8
117.07008	0.7
119.08568	1.7
120.08973	0.8
121.02883	1.7
121.10135	1.7
125.09697	0.7
128.06195	0.7
131.08618	1.0
132.27184	0.6
133.10147	0.8
134.10448	0.7
143.08514	1.1
145.10147	1.5
155.08568	0.7
157.10100	0.9
165.22740	0.6
173.13348	0.8
182.10736	0.8
184.12012	0.7
193.10011	0.8
210.13620	0.8
236.15239	0.7
248.91095	0.7
295.06076	2.3
307.06143	1.6
308.06995	0.7
309.07349	0.9
321.07803	0.7
325.07205	2.7
333.07541	0.8
337.07083	1.6
349.07092	1.0
351.08780	0.7
361.07260	0.8
363.08575	1.4
371.25357	1.2
379.08136	0.7
391.08151	1.8
409.09146	2.2
427.10266	2.2
481.11127	1.1
499.12247	0.9
511.12262	3.2
529.13983	1.0
565.33356	100.0
566.33691	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.2
57.03434	8.9
57.07070	10.1
63.34122	5.5
67.05503	63.9
69.07074	41.6
71.08629	8.3
79.05489	30.2
81.07057	100.0
83.04976	6.6
83.08613	22.7
91.05470	16.0
93.07040	24.5
95.08609	42.0
97.06561	6.7
105.07037	37.3
107.08592	14.8
109.10169	18.9
119.08566	21.7
121.10160	19.7
123.08045	6.9
123.11658	26.5
133.10115	6.5
135.11693	7.7
137.09615	6.2
137.13264	8.4
147.11681	55.0
155.36549	7.3
165.12790	32.1
179.92880	5.8
229.14326	10.1
245.22702	5.3
263.23740	9.1
267.15891	88.0
281.29568	30.1
282.27924	84.3
285.16931	41.3
298.99048	6.2
299.30499	34.8
309.32727	38.8
310.31009	92.6
327.33728	25.4
337.27301	49.1
473.32254	5.8
547.39954	30.3
548.40314	8.1
592.98151	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	566.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.05518	1.0
56.05034	1.4
57.03437	1.2
59.60421	0.6
60.04520	1.0
61.02921	1.0
65.03943	1.4
69.03419	2.6
70.06596	14.2
71.06915	0.9
71.29092	1.2
72.08157	5.2
74.06069	1.4
81.03408	1.1
84.04491	2.1
84.08140	4.4
85.02914	8.4
86.09713	5.2
91.05480	14.7
97.02869	2.1
99.04427	1.1
100.50381	0.6
102.05537	1.0
103.03934	1.2
103.05469	1.0
105.03393	0.9
109.02894	1.2
110.07169	7.6
113.07130	0.7
115.74041	0.7
116.07093	0.9
118.04131	1.1
119.04946	25.0
119.69115	0.6
120.08102	3.1
121.06647	0.7
121.89800	0.7
127.03912	2.8
127.08701	0.9
128.10692	0.8
129.10237	2.7
130.05023	0.9
132.02071	1.1
132.60718	0.7
136.07623	3.8
143.85980	0.7
145.02879	0.7
145.04962	2.7
146.03508	0.8
147.04416	19.9
147.17911	0.7
149.02354	1.1
156.07590	1.1
157.03983	2.5
163.03938	1.1
163.06015	2.4
164.04643	1.1
169.09705	0.9
173.12901	1.2
175.03915	41.1
176.04298	1.7
177.01949	0.7
179.07014	1.2
179.65681	0.7
192.04173	11.5
201.12372	0.8
207.06531	100.0
208.06873	3.6
213.12454	0.8
225.07576	41.5
226.07927	1.7
291.36227	1.0
354.53339	0.7
369.11588	1.4
566.29791	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	566.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01868	4.9
55.05508	8.7
56.05029	6.9
57.03437	3.7
59.04980	2.9
61.02913	3.0
65.03938	3.4
67.04893	2.6
67.05497	10.8
69.03430	12.9
69.07066	11.6
69.53189	5.6
69.53585	7.4
70.06593	30.1
71.04996	9.6
72.08157	28.9
73.02880	2.8
79.05487	9.7
81.03413	19.9
81.07052	20.7
83.04990	5.1
83.08618	3.2
84.04501	5.9
84.08147	30.4
85.02905	86.9
85.06524	4.5
86.09711	22.7
91.05476	21.7
93.07030	23.3
95.04955	7.3
95.08605	13.2
97.02901	25.8
97.06516	5.0
98.86263	2.9
99.04455	59.2
103.03946	84.9
103.05454	3.4
105.07030	24.4
107.08595	16.1
109.02886	21.0
109.06496	8.3
109.10178	17.6
110.07143	3.5
115.03922	2.5
117.06995	4.5
119.04955	9.6
119.08591	32.6
120.08106	17.5
121.02854	8.0
121.06496	7.5
121.10127	15.5
122.03189	4.4
123.08067	14.9
127.03914	100.0
128.04259	3.5
129.07069	2.9
129.10257	6.8
131.08548	5.1
133.10143	10.3
135.11684	8.1
136.07626	6.5
137.09599	4.4
145.04953	62.2
145.10109	6.4
147.04407	5.5
147.11705	12.8
149.09633	10.7
149.13281	6.5
151.11169	10.0
155.08260	2.6
155.28668	2.7
159.11723	6.0
161.13245	8.7
163.06024	50.2
163.11197	17.5
164.07144	3.0
165.12703	5.7
171.11696	4.1
175.03961	6.2
177.12769	24.0
179.10658	2.8
179.14285	4.3
182.08162	4.5
187.05959	7.3
187.11142	2.4
189.01936	2.5
189.12738	32.0
195.13834	3.6
203.03423	3.4
205.07104	4.7
205.12276	9.6
206.12569	3.0
207.06473	13.7
207.13829	47.7
225.14902	19.5
226.04906	2.7
228.08752	3.8
243.15891	4.0
271.08066	7.1
284.06436	2.6
289.09128	8.0
295.05887	12.5
296.06216	14.3
298.07919	3.6
307.06180	5.3
307.10132	14.2
308.06424	7.0
309.07172	4.1
310.07877	3.8
312.21432	2.5
321.07452	5.6
322.07864	9.6
325.07101	2.8
326.07361	10.8
334.07910	4.8
336.09351	6.0
337.06946	3.3
338.07471	11.8
346.07996	4.2
349.06964	4.0
350.07428	9.4
352.08963	3.2
362.07370	8.1
364.09006	6.7
379.08258	3.2
380.08429	15.9
392.08466	11.4
401.28897	2.5
404.13330	3.3
408.94583	2.6
409.08908	3.7
410.09399	13.9
416.08942	3.1
423.16248	3.1
427.10098	2.8
428.10574	18.3
434.09198	5.8
446.10693	2.5
458.10818	3.3
482.11432	9.6
494.11578	8.4
500.12643	5.7
505.20355	10.2
507.18539	2.7
512.12585	18.9
528.89264	2.6
530.13702	8.7
566.31494	8.5
567.20532	64.6
567.29358	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	566.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
53.28216	2.2
55.01879	3.9
55.05510	8.3
57.03436	2.8
57.07077	3.1
61.02933	5.9
67.05510	4.6
69.03430	9.9
69.07070	28.9
69.44367	13.7
70.06582	14.3
71.04977	2.4
72.08141	6.8
73.06543	2.5
76.78719	2.2
79.05482	14.0
80.20600	2.4
81.03409	4.9
81.07053	22.9
83.04989	2.7
83.08616	4.0
84.08163	7.4
85.02903	67.9
85.65465	2.4
86.09702	7.1
87.04463	5.0
91.03920	2.9
91.05476	17.4
93.07058	16.4
95.04968	3.7
95.08607	8.1
97.02907	20.7
97.06567	3.0
99.04436	6.8
100.11269	12.5
105.07028	29.5
107.04978	4.3
107.08609	16.7
109.02868	6.9
109.06518	4.2
110.07201	5.8
111.08038	3.1
116.07128	2.3
119.04939	2.2
119.08597	25.3
120.08095	4.2
121.02821	4.8
121.06546	3.8
121.10152	38.8
123.08024	4.9
123.11729	3.0
125.06008	14.0
127.03941	13.7
131.08597	3.6
133.06540	3.1
133.10117	12.6
137.05963	8.4
139.07590	4.6
145.04959	30.1
145.10124	3.8
147.08003	3.5
147.11737	4.8
151.07545	19.4
161.13260	95.0
163.06018	10.2
163.14815	5.2
165.09061	2.7
168.46144	2.7
171.11699	3.9
179.14299	8.0
182.15414	6.8
184.07353	4.5
189.12741	16.5
200.50305	2.8
207.06569	3.0
207.13803	100.0
208.14014	4.7
210.14873	5.4
220.82986	2.4
261.10959	2.8
295.06036	3.7
296.06589	5.6
297.72040	2.6
308.06146	3.6
322.07712	5.6
338.07443	2.4
348.09689	3.0
350.07361	2.9
364.09451	2.7
380.08221	5.6
392.08453	5.8
410.09537	7.9
428.10397	10.9
434.09265	3.1
482.11725	3.3
512.12659	7.6
530.12787	3.2
548.21594	6.0
566.22827	6.2
566.30249	4.0
567.35846	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	566.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69116	0.2
56.05029	0.6
58.06624	0.7
59.07398	0.2
60.08164	7.1
67.05502	0.2
69.22511	1.0
70.06573	0.4
71.07370	3.3
72.08157	0.2
79.05501	0.2
81.07052	0.3
84.08136	0.2
86.09703	33.2
87.10037	0.6
93.07069	0.2
98.98460	3.3
104.10736	4.5
109.06512	0.2
111.04398	0.2
121.10140	0.3
125.00000	22.6
133.10132	0.2
137.05974	1.2
139.81407	0.2
143.01079	0.4
179.43359	0.2
184.07335	100.0
185.07747	1.5
258.10867	0.3
296.06577	0.2
349.86218	0.2
369.97641	0.2
380.08240	0.2
392.08029	0.2
428.10806	0.4
512.12549	0.4
528.15424	0.2
534.27789	0.4
548.29419	0.7
566.30908	5.1
567.31097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
56.96545	0.8
58.06573	0.6
64.20268	0.4
67.05501	0.9
69.03405	0.9
69.07040	0.5
70.06592	5.0
70.67082	1.0
72.08149	3.0
72.89367	0.4
77.65064	0.4
79.05467	0.6
81.03402	0.7
81.07046	1.4
82.06540	0.8
83.04967	0.5
83.08601	1.4
84.00932	0.4
84.04468	0.6
84.08147	2.4
85.02888	1.5
85.06512	0.6
86.09708	2.9
91.05455	1.4
92.39976	0.4
93.07059	0.8
95.04941	0.6
95.08607	1.1
96.08133	0.6
97.02883	0.6
98.97550	1.1
100.11253	4.6
104.58900	0.5
105.06990	0.8
107.08600	0.6
110.07157	1.2
111.04431	0.5
116.98608	0.6
119.04852	0.5
120.08067	1.7
121.02887	0.6
121.10130	0.6
121.70690	0.4
127.03829	0.5
129.10185	0.9
131.08578	0.5
133.10098	0.8
137.05994	0.4
140.10654	0.8
147.04419	0.7
156.13817	0.6
168.10239	0.7
182.15364	1.7
188.17400	0.5
198.14746	0.6
207.06532	0.7
207.13766	1.0
209.16452	0.8
210.14848	1.9
210.16656	0.6
225.51346	0.5
249.07947	1.0
267.09027	1.7
279.09003	1.6
283.19980	0.7
285.09766	0.5
297.10101	1.0
299.07626	0.6
329.08328	1.0
337.21207	0.6
381.08405	0.5
395.26947	0.5
405.13461	0.8
411.09705	0.8
423.13107	3.4
429.10696	0.7
434.04776	0.5
441.14240	1.2
465.14188	3.3
505.18628	0.5
507.15530	1.1
545.55762	0.5
566.33704	0.5
566.42529	1.3
567.18140	100.0
568.18591	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	567.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33107	0.3
60.04520	0.3
60.96949	0.4
67.05514	0.4
68.67831	0.3
69.09750	2.7
70.06589	5.2
72.08154	1.3
81.03426	0.5
84.04531	0.7
84.08129	1.4
85.02906	0.9
86.09690	2.2
91.05410	0.4
97.02880	0.8
101.12941	0.4
103.03934	0.5
110.07145	0.6
119.05012	0.7
120.08125	0.6
121.02892	2.2
127.03875	0.6
128.10742	0.6
129.10260	0.7
133.16777	0.4
136.07571	0.7
145.05022	0.4
147.04460	0.5
155.08243	0.4
171.67453	0.4
203.03436	0.6
242.22482	0.4
259.07959	0.4
279.13376	1.2
295.05988	1.8
296.06357	1.7
297.06821	1.3
307.05878	0.7
308.06543	1.1
309.06952	1.5
310.07773	0.5
321.07529	1.2
322.07849	1.3
323.08377	1.5
325.06891	0.8
326.07272	0.5
327.07779	0.7
334.08087	0.6
335.08673	0.6
338.07510	0.9
339.07803	1.2
341.12064	0.8
347.08954	0.5
349.06674	0.6
350.07690	0.5
351.07791	1.6
353.09641	0.6
363.08032	1.1
364.08780	0.7
365.09378	0.8
369.08875	0.4
373.10361	1.0
375.07645	0.7
379.08023	1.0
380.08408	0.7
381.08667	1.9
393.08795	1.1
403.12073	0.9
405.13187	0.7
409.09286	1.0
410.09528	0.9
411.09665	2.7
417.08676	0.7
423.10751	0.7
423.16260	2.7
427.10355	1.1
428.10355	0.8
429.10739	3.7
435.09604	0.9
459.10965	0.6
465.17184	0.9
477.10989	0.6
483.11899	1.7
495.11887	0.9
501.13046	1.0
505.20425	8.1
506.20767	0.7
507.18384	4.0
513.12897	5.0
531.13989	1.7
567.20453	100.0
568.20801	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	567.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33606	3.4
53.03945	4.2
55.05523	21.2
57.03435	14.5
57.07072	11.9
67.05504	44.1
69.07084	29.2
71.08627	5.2
71.29672	5.3
72.04515	4.2
79.05494	29.9
81.07054	62.8
83.04995	4.2
83.08643	22.1
91.05496	19.0
93.07050	47.6
95.04984	5.7
95.08591	26.5
97.10174	9.7
102.05517	4.1
105.07023	27.2
107.08601	30.2
109.10159	15.0
111.08073	6.1
117.07013	12.0
119.08614	17.5
121.10153	32.8
123.11710	10.6
131.08574	12.0
133.10167	14.0
135.11713	11.8
143.08569	5.2
145.10139	10.6
147.08038	5.0
147.11684	6.0
149.13243	18.5
157.10149	10.2
159.11731	11.6
165.09149	8.6
169.10141	6.5
171.11676	4.9
177.12811	5.5
195.13806	11.3
203.14507	3.9
221.15370	23.5
240.15845	7.1
269.17499	8.1
283.28329	5.3
284.29388	11.3
296.18597	56.9
297.18967	5.3
310.08215	3.6
311.25787	100.0
312.25961	5.1
316.29257	3.9
359.27191	4.3
424.81683	3.5
475.35471	4.7
505.38995	17.4
530.63690	3.9
532.40125	34.8
567.42053	21.7
568.56360	6.0
588.24060	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	568.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.47999	0.6
55.01869	0.7
56.05021	1.5
57.03445	0.8
61.02929	1.3
62.59686	0.7
63.61835	0.7
65.03913	0.8
67.05502	1.0
69.03426	2.0
69.07068	1.0
70.06590	18.0
71.04980	1.4
71.30518	1.0
72.08162	6.6
73.08471	0.7
73.24562	0.7
74.06077	1.2
78.04710	2.6
79.05500	3.6
81.03407	1.3
81.07043	1.5
84.04486	3.0
84.08143	6.8
85.02898	8.6
86.09708	8.1
91.05479	7.8
93.07033	1.4
95.04967	2.7
95.08582	1.1
97.02879	3.1
99.04433	1.0
102.05527	1.1
103.05447	1.6
105.07033	5.0
106.04177	1.0
107.04955	6.4
107.08594	1.4
109.02870	1.3
110.07166	4.7
113.02374	4.4
115.05456	1.6
116.07086	2.0
117.07029	2.0
119.04940	3.0
119.08591	2.4
120.08100	3.9
120.32553	0.7
121.06468	1.3
121.10106	0.9
123.04408	5.3
123.08044	1.2
124.05203	1.8
125.24899	0.8
127.03897	2.7
127.08653	0.8
129.07042	3.6
129.10216	2.8
131.04924	2.3
132.05707	0.8
133.06471	2.1
136.05193	1.6
136.07574	1.2
137.05942	1.6
145.02899	1.1
145.04961	1.9
145.06493	3.6
147.04417	2.3
147.08025	3.4
147.11621	1.0
149.05911	0.8
151.03902	1.9
151.07539	4.0
152.04675	1.2
153.05455	1.5
159.08014	2.2
159.09210	1.6
160.05214	1.3
161.05956	7.2
163.06055	1.0
163.11169	1.0
167.07034	100.0
168.07321	2.0
173.05981	1.8
175.03917	1.3
175.07535	19.0
177.05498	1.9
179.07040	9.9
183.14760	0.9
187.07535	11.0
189.09128	1.1
191.07051	7.8
193.08595	2.7
199.07483	3.2
203.08577	1.5
205.06738	1.3
205.08626	4.2
207.06468	1.5
209.08055	1.9
217.06633	0.9
217.08612	2.7
218.07237	1.1
219.08054	1.0
221.09560	2.0
223.07483	1.2
223.09804	1.3
227.10226	1.2
229.15416	1.4
231.08122	0.9
234.06630	1.1
235.07561	1.6
247.07561	1.6
248.08467	0.9
249.09048	2.2
251.06978	3.4
261.09070	2.1
265.08582	1.3
277.08527	1.7
278.09375	1.0
279.06476	2.6
281.11783	4.4
283.09824	1.1
289.08612	0.7
293.08057	1.4
293.11685	0.7
294.08850	1.0
307.09439	1.2
309.11124	5.3
310.11905	1.1
311.09207	5.0
321.07645	1.2
321.11218	2.1
326.11432	2.3
327.21014	0.9
339.08609	3.3
339.12244	1.5
341.13870	14.8
344.12567	1.1
353.13733	5.3
359.14880	7.0
360.14734	0.9
371.11264	1.6
371.15051	7.8
386.21753	1.1
389.15768	1.0
404.22827	2.2
406.25745	1.6
425.14655	1.1
507.22046	0.9
537.59052	0.8
568.20575	2.5
568.30841	3.9
569.21777	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	568.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48462	2.7
53.03956	3.7
53.83760	2.6
61.33455	2.6
70.06598	5.7
72.08147	3.4
75.25974	2.8
79.05497	3.5
81.03418	6.9
85.02917	8.2
98.98864	3.3
100.11282	14.5
101.11559	4.0
103.05425	4.7
103.57226	3.0
107.04968	12.0
111.04427	3.5
115.05456	11.0
117.07009	11.7
120.94036	2.8
122.03612	3.7
129.07010	8.1
131.04918	4.6
133.15778	3.5
137.04973	5.0
137.05986	66.0
143.04933	8.4
145.06487	28.0
156.05695	4.2
157.06526	3.9
159.08081	6.0
160.05157	14.9
161.05968	5.2
167.07048	32.2
173.05983	47.8
174.06624	3.1
174.75630	3.0
175.07556	100.0
187.07559	43.2
189.09122	6.7
190.06259	20.4
203.06996	6.7
205.08586	83.9
211.15266	3.7
217.08585	36.0
219.10202	5.3
235.09648	35.9
247.09633	4.2
251.10623	3.3
263.06970	4.1
265.10812	20.8
277.08530	3.5
285.07544	4.7
293.11731	3.6
300.10001	5.6
301.10672	4.6
321.11005	6.0
323.25565	3.1
341.13751	5.8
353.13809	12.5
371.14944	20.7
549.42047	6.2
567.43219	25.2
568.43207	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	568.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48462	2.7
53.03956	3.7
53.83760	2.6
61.33455	2.6
70.06598	5.7
72.08147	3.4
75.25974	2.8
79.05497	3.5
81.03418	6.9
85.02917	8.2
98.98864	3.3
100.11282	14.5
101.11559	4.0
103.05425	4.7
103.57226	3.0
107.04968	12.0
111.04427	3.5
115.05456	11.0
117.07009	11.7
120.94036	2.8
122.03612	3.7
129.07010	8.1
131.04918	4.6
133.15778	3.5
137.04973	5.0
137.05986	66.0
143.04933	8.4
145.06487	28.0
156.05695	4.2
157.06526	3.9
159.08081	6.0
160.05157	14.9
161.05968	5.2
167.07048	32.2
173.05983	47.8
174.06624	3.1
174.75630	3.0
175.07556	100.0
187.07559	43.2
189.09122	6.7
190.06259	20.4
203.06996	6.7
205.08586	83.9
211.15266	3.7
217.08585	36.0
219.10202	5.3
235.09648	35.9
247.09633	4.2
251.10623	3.3
263.06970	4.1
265.10812	20.8
277.08530	3.5
285.07544	4.7
293.11731	3.6
300.10001	5.6
301.10672	4.6
321.11005	6.0
323.25565	3.1
341.13751	5.8
353.13809	12.5
371.14944	20.7
549.42047	6.2
567.43219	25.2
568.43207	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
53.19054	0.8
55.05508	9.3
57.07076	7.3
59.05006	1.8
65.03950	3.1
67.05504	15.2
67.05837	1.3
69.03423	3.1
69.04967	3.4
69.05390	4.2
69.07072	14.6
71.04979	1.3
71.08653	1.0
77.03938	1.2
79.05496	22.5
80.06268	2.9
81.07060	32.2
83.04992	2.9
83.08633	4.6
85.06543	4.8
88.07652	1.2
91.04899	0.9
91.05482	36.9
92.06283	2.8
93.07043	52.2
94.07845	2.4
95.04971	36.2
95.08610	26.1
97.06544	2.4
97.10146	1.4
103.05468	3.4
104.06237	1.3
105.04546	1.5
105.07032	77.8
106.07894	4.5
107.08597	44.1
108.09424	2.1
109.06516	3.8
109.10159	21.2
110.07305	1.0
110.10496	0.9
111.08080	1.4
113.14874	0.9
115.05446	5.7
116.06232	2.1
117.07021	27.0
118.07822	2.7
119.08582	100.0
120.09472	7.2
121.06519	3.1
121.10150	27.9
121.11028	1.8
123.08071	14.5
123.11708	5.9
125.09657	1.8
128.06201	9.0
129.07008	15.7
130.07797	8.7
131.08569	50.3
132.09386	8.9
133.06548	0.9
133.10133	53.1
134.10962	5.8
135.08032	5.5
135.11691	17.3
136.08781	1.1
137.09625	5.4
138.10397	6.2
139.11234	1.7
141.06987	8.2
142.07779	15.5
143.08565	42.8
144.09370	13.1
145.06535	1.6
145.10126	85.2
146.07306	1.0
146.10991	5.7
147.08070	3.4
147.11691	24.3
148.08786	1.4
148.12329	1.3
149.09645	7.5
149.13286	4.8
151.11174	3.3
153.06996	3.6
154.07820	2.6
155.08533	14.2
156.09346	15.9
157.10133	47.3
158.10934	13.6
159.08073	1.1
159.11690	40.2
160.12471	3.9
161.09637	7.0
161.13261	8.6
163.11182	3.3
163.14893	2.1
165.07007	4.0
166.07834	2.4
167.08591	6.8
168.09334	4.3
169.10133	26.9
169.11516	1.6
170.10918	8.7
171.10196	1.9
171.11690	37.1
172.12440	6.7
173.09669	2.8
173.13260	30.6
174.13910	2.0
174.80878	0.9
175.11244	1.6
175.14822	22.8
176.15274	1.5
177.12758	6.6
178.07730	1.3
179.08546	7.8
180.09297	3.3
181.10103	16.2
182.10904	7.5
183.11696	29.2
184.12488	4.6
185.13254	26.5
186.14006	8.1
187.11209	1.2
187.14819	13.6
188.15514	1.2
189.12703	4.5
191.14333	11.7
192.09340	3.3
192.15096	1.8
193.10091	7.1
193.15878	2.0
194.10944	8.5
195.11693	18.3
196.12459	8.1
197.13269	29.2
198.13971	6.3
199.14824	10.1
200.15504	1.4
201.12689	4.0
201.16383	7.6
203.14317	3.8
205.10155	1.1
205.15923	2.0
206.10930	1.9
207.11717	9.6
208.12405	5.2
209.13254	24.5
210.13922	4.4
211.14801	18.3
212.15532	3.0
213.12752	1.2
213.16391	5.9
215.14365	2.6
217.15891	5.9
219.11649	2.5
219.17447	2.1
220.12453	2.5
221.13295	7.7
222.14046	3.2
223.14891	10.8
224.15558	4.1
225.16397	9.4
226.17145	3.3
227.14365	2.4
227.18057	1.5
229.15926	2.6
231.11624	1.2
231.17404	1.5
232.12408	1.1
233.13312	4.2
234.14037	1.8
235.14783	7.1
236.15639	1.5
237.16351	8.2
238.17064	2.0
239.14252	1.2
239.17935	5.4
240.18674	1.4
241.19551	3.3
243.17416	1.7
246.14047	1.1
247.14835	3.5
248.15704	1.5
249.16418	5.2
250.17093	1.7
251.17938	3.4
253.19572	2.7
255.17479	2.4
257.19040	2.9
258.19745	1.2
259.14737	1.1
259.20596	2.3
260.15604	1.8
261.16406	3.3
262.17145	1.2
263.17978	4.8
264.18689	2.0
265.19531	5.2
267.21109	1.6
270.19867	1.4
271.14688	1.3
271.20407	1.1
273.16534	1.5
275.18042	3.0
277.19525	3.7
279.21091	1.8
281.19037	2.4
282.19739	1.2
283.20544	3.5
284.29596	1.5
285.22192	2.6
287.18066	1.0
291.21106	2.7
296.21527	1.2
297.22079	3.3
305.22589	2.9
309.22067	1.6
319.23810	1.4
321.22168	1.2
323.23669	7.3
324.24295	2.3
331.24377	1.7
333.25778	0.9
337.25336	3.0
338.26028	39.4
339.26462	3.3
349.25278	2.7
351.26761	1.6
362.26208	1.5
415.29919	1.6
420.30127	1.9
430.32318	15.5
476.36603	12.8
477.36975	2.0
568.34235	1.4
568.42755	20.1
568.56659	3.5
569.42480	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64398	0.6
56.96566	69.9
58.40095	0.6
69.03405	1.1
70.06599	3.4
71.20859	1.0
71.23124	0.7
71.95255	2.2
72.96043	1.9
73.67303	0.7
74.97600	1.1
81.03398	0.9
84.08147	1.0
84.96040	9.2
85.02886	2.6
86.09709	0.9
97.02908	1.3
98.97586	77.4
109.02849	0.8
110.07181	1.4
110.97578	17.2
112.99122	2.6
116.98623	28.4
124.99101	0.9
126.96990	1.2
128.98607	14.9
131.00156	2.6
134.86813	0.7
134.99677	4.8
136.99100	2.2
139.00665	4.5
140.98592	2.2
143.00168	5.8
144.98117	0.8
146.99638	6.3
152.98596	5.8
154.99335	0.6
155.00203	5.8
155.01347	0.9
155.01743	0.7
157.01711	10.7
158.99651	23.4
160.00160	0.7
161.01219	7.1
162.99184	1.0
163.03957	1.5
164.98564	4.2
168.99153	1.3
170.99664	8.7
173.01234	9.1
175.02786	28.5
175.04337	1.4
177.00713	18.7
177.99687	0.9
179.02271	1.0
182.99652	28.7
185.03091	0.8
189.00726	5.0
191.02319	1.9
193.01750	2.1
193.03809	13.3
195.01802	1.7
198.04292	0.7
200.90865	0.7
201.00706	60.6
207.01723	1.1
209.01212	1.3
211.02760	2.3
215.02258	0.9
217.03851	1.0
219.01764	100.0
220.02133	2.5
224.02298	1.1
225.00655	1.2
226.98599	1.7
229.03897	0.8
235.99115	0.9
237.00691	5.5
237.02814	57.4
238.03145	1.5
242.03316	1.2
242.99274	1.4
243.01765	24.6
244.99683	6.4
253.03787	1.7
255.01738	11.4
255.03969	2.4
260.04370	0.9
261.02859	14.5
263.00845	1.3
267.01791	2.1
268.99762	2.8
269.03098	0.9
273.02808	10.9
279.01526	4.1
285.02814	11.6
287.00708	3.2
287.04102	1.8
297.02969	3.3
301.05719	1.0
303.03754	2.8
308.01215	1.1
309.02811	1.0
315.03894	1.3
327.03836	8.7
329.01877	1.9
333.02756	0.7
345.04929	67.5
346.05164	2.6
363.06454	6.5
371.02771	1.6
381.04858	17.4
382.05252	1.0
389.03882	7.0
390.04251	0.8
399.05978	18.6
400.06396	1.1
407.04443	0.8
422.07440	1.1
426.27518	1.3
452.96436	1.8
522.15387	0.8
525.09186	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	569.2002
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
53.03930	0.3
54.09009	0.3
55.05499	0.3
56.18818	0.3
56.96554	0.4
58.06592	0.3
61.76937	0.4
67.05505	0.4
69.03412	0.3
69.46191	1.4
70.06590	2.9
72.08148	1.5
79.05466	0.3
79.61006	0.3
81.07050	0.5
83.08614	0.5
84.08156	0.8
85.02926	0.4
86.09701	1.5
91.05501	0.5
93.07056	0.5
98.97578	1.3
100.11261	0.6
105.07042	0.4
110.07133	0.6
116.98635	0.7
119.08572	0.4
120.08114	1.1
126.13461	0.3
126.21059	0.3
127.03884	0.5
128.10738	0.4
131.78799	0.3
142.43454	0.3
183.14899	0.5
187.57100	0.3
219.01881	0.4
237.02776	0.6
281.10559	0.8
299.11526	0.7
304.56052	0.4
363.06937	1.0
374.06555	0.3
425.14676	1.0
449.14893	0.4
452.64203	0.4
467.16016	1.2
507.19626	0.8
509.17416	0.7
537.20190	0.4
551.18866	0.8
569.19867	100.0
570.20288	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	569.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29457	0.6
55.05491	0.8
56.96566	1.8
64.54449	0.6
69.05846	5.7
70.06597	19.6
72.08153	6.2
79.96613	0.6
84.04529	1.2
84.08146	4.6
85.02896	1.0
86.09704	9.0
93.07050	0.7
98.97594	9.5
105.87274	0.7
110.07180	3.1
116.98660	3.3
119.08638	1.0
120.08134	1.7
129.10260	2.0
131.00139	1.0
136.07571	1.4
158.99680	2.9
169.13423	1.4
173.01257	0.9
177.00751	2.1
182.99728	0.9
191.02319	0.7
200.14099	0.7
201.00690	1.6
209.04860	1.8
211.14441	1.2
212.10313	1.0
219.01639	1.2
227.06085	0.7
237.08047	1.1
241.83923	0.7
243.01912	1.0
251.09602	1.0
255.09158	1.5
263.09662	3.6
281.10577	5.0
299.11719	1.4
305.10574	4.0
323.11765	2.0
328.22394	0.9
343.19724	3.3
345.13998	1.0
347.11981	1.2
365.12952	1.4
371.11713	2.1
389.12601	3.6
407.13724	1.7
412.83881	0.6
425.14401	7.7
426.15155	0.8
439.24918	0.7
449.14645	0.8
467.16153	1.5
467.85532	0.7
507.22000	4.7
509.17911	2.4
527.18378	1.5
551.20984	1.6
568.30188	0.9
569.20685	100.0
569.29999	3.7
570.20667	10.3
570.29626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1999
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
52.05648	0.4
55.05493	0.5
56.04999	0.6
56.96559	1.6
59.96863	0.5
65.41119	0.4
69.07054	0.5
70.06586	7.2
71.29738	0.5
71.30135	0.7
72.08159	2.8
84.08117	0.7
84.96032	0.7
85.02897	0.9
86.09710	4.8
91.05502	0.7
95.18371	0.5
98.97590	4.1
99.04475	0.4
109.06493	0.5
110.97554	1.0
112.08696	0.5
115.08614	0.5
116.98621	1.9
119.08555	0.7
120.08095	1.7
123.08040	0.6
127.03829	0.7
128.10695	0.9
128.98616	1.1
129.10228	1.2
129.41939	0.4
143.00153	0.8
158.99695	0.6
170.99715	0.5
183.14932	0.7
197.12831	0.7
209.57243	0.5
219.01688	2.4
237.02840	3.1
244.51715	0.5
263.09790	0.8
263.12656	0.9
281.10507	3.4
299.11752	2.1
323.11633	0.6
347.09506	1.3
407.13644	1.8
425.14505	2.6
443.15796	2.8
461.49731	0.5
467.15982	2.0
479.13470	0.5
485.16840	3.0
507.21783	1.8
509.17706	1.7
539.93823	0.5
551.19635	1.3
569.20038	100.0
570.20410	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	569.2006
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
53.85599	0.7
55.05499	0.9
55.73808	0.6
55.90658	0.6
56.46754	0.6
56.96561	3.0
57.35418	0.6
67.05495	1.0
67.36616	0.6
69.07059	0.8
69.13441	1.7
69.13866	3.7
70.06251	1.1
70.06596	12.6
72.08153	7.3
75.05888	0.6
84.04496	1.8
84.08128	2.0
84.96026	1.1
85.02897	1.4
86.09700	5.6
89.78262	0.7
95.04962	3.0
97.02881	2.6
97.06532	1.3
98.97585	18.1
99.12147	0.7
102.05543	1.2
104.22527	0.7
110.07185	1.2
110.97577	2.0
111.09235	0.6
112.99137	0.8
115.08736	0.9
116.98616	5.0
120.08115	3.6
126.05505	1.0
128.98634	1.6
129.10228	1.5
158.99689	4.3
166.08710	1.0
167.07043	1.3
169.13321	0.8
170.99602	0.8
173.01244	1.1
177.00826	1.6
185.16483	0.7
197.01221	1.7
209.04837	1.6
211.06133	0.7
215.02272	2.3
219.01761	4.0
227.05879	2.0
237.02786	4.0
263.09534	1.1
281.10571	2.8
299.11664	2.1
305.10571	10.4
306.10864	0.9
323.11618	11.9
341.12622	3.0
342.13519	0.8
365.12668	1.5
406.01367	0.7
407.13773	1.2
425.14764	14.5
443.15915	13.6
444.15918	0.7
467.15869	13.3
468.16528	0.9
485.16922	3.7
507.21750	3.1
509.16782	3.8
551.13824	1.2
569.20166	100.0
570.20294	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	569.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.05024	0.5
57.03428	0.3
58.43567	0.3
65.00514	0.3
67.05491	0.7
68.72302	0.3
69.03419	0.6
69.07068	0.9
70.06593	10.0
72.08157	5.7
79.05521	0.4
81.03437	0.6
81.07051	0.7
83.04984	0.3
83.06109	0.4
84.04510	0.5
84.08151	3.6
85.02911	1.0
85.06553	1.1
86.09700	5.0
91.05473	0.7
93.07093	0.4
95.04971	1.2
97.02892	0.5
98.97581	0.7
102.05546	0.5
105.07030	0.5
107.08612	0.7
109.02876	0.4
109.10155	0.5
110.07182	1.5
110.09688	0.4
115.08727	0.4
116.07124	0.4
116.98650	0.7
117.06998	0.3
120.08074	2.8
122.79614	0.3
125.02429	0.5
127.03925	0.7
128.10744	0.9
129.10248	1.2
129.20506	0.4
131.08536	0.4
135.08006	0.4
136.07573	0.8
137.05971	0.5
145.05061	0.4
163.05994	0.3
177.00720	0.4
183.15030	0.4
185.04218	0.6
186.12427	0.3
203.05283	0.5
226.11842	0.8
228.13266	0.4
237.11298	0.5
245.11403	0.5
263.12643	0.8
285.09427	2.0
287.07492	0.8
323.11761	0.7
329.08502	1.0
340.04642	0.3
341.12256	1.0
347.09424	9.0
357.21323	1.5
365.13031	0.4
403.12411	0.4
425.17999	3.3
426.18085	0.4
467.18610	1.2
489.20929	0.8
491.18698	0.4
507.21957	9.8
508.22028	0.8
509.20099	5.0
510.20343	0.5
551.21039	2.3
569.21942	100.0
570.22241	6.9
570.30524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42969	0.2
55.05508	0.3
56.05043	0.4
64.14346	0.2
65.99886	0.2
70.06593	4.2
71.06908	0.3
72.08142	0.9
84.04506	0.6
84.08134	1.4
85.02934	0.2
86.09705	1.0
91.05504	0.3
95.04961	0.4
98.22602	0.4
103.94619	0.2
110.07192	1.0
120.08098	0.5
129.10211	1.2
130.06610	0.3
137.09467	0.2
157.07668	0.3
173.09377	0.3
175.08661	0.4
185.04265	0.5
227.79243	0.3
231.70335	0.2
247.72166	0.2
285.09552	1.5
287.07327	1.2
329.08353	1.2
345.08264	0.2
346.86539	0.3
347.09406	3.3
366.14178	0.2
367.14600	0.3
425.17715	2.2
467.18610	0.6
507.21930	7.3
508.22229	0.6
509.19986	2.8
510.20197	0.3
551.20892	0.8
569.21991	100.0
570.22321	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	569.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54245	0.3
55.05518	0.5
58.79568	0.3
67.05489	0.3
69.03400	0.3
69.07072	0.4
70.06212	0.3
70.06594	6.0
71.06931	0.3
72.08157	2.3
79.05482	0.5
81.03416	0.4
81.07071	0.8
84.04517	0.7
84.08139	2.0
84.94680	0.3
85.02888	0.7
86.09703	2.7
91.05476	0.9
93.07075	0.5
95.04964	0.3
95.08629	0.4
97.02909	0.4
102.05562	0.5
102.09117	0.3
103.03976	0.3
103.05433	0.7
105.07008	1.0
107.08632	0.7
109.02930	0.3
110.07188	0.8
114.44057	0.3
115.91354	0.3
119.08576	0.6
120.08107	5.3
120.08923	0.4
121.08464	0.5
125.08592	0.3
127.03928	0.6
127.08758	0.5
129.10265	1.4
130.06529	0.3
131.08592	0.4
131.91006	0.3
133.10164	0.4
135.44455	0.3
145.27780	0.3
148.51468	0.3
155.08162	0.3
159.11687	1.3
169.13377	0.5
176.99957	0.3
197.13046	0.4
229.41431	0.3
243.17102	0.8
245.06213	0.4
249.12379	0.6
263.12680	0.7
277.11853	0.9
285.09439	1.7
287.07364	1.1
312.15585	0.4
329.08438	0.6
345.08160	0.4
347.09601	3.5
363.17715	0.5
381.18906	2.4
407.16409	0.5
425.17441	1.3
435.76331	0.5
445.21872	1.3
447.20102	0.6
463.23022	4.9
465.20813	2.3
467.18521	0.5
469.17215	0.3
489.21048	0.5
491.19250	0.3
507.21924	5.4
509.19904	1.6
525.23218	3.6
551.21045	3.8
552.21259	0.5
569.21954	100.0
570.22388	8.7
570.31946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
60.99573	1.2
67.05542	1.4
70.06586	8.8
70.29380	1.5
72.08161	2.7
73.48029	1.2
81.07071	1.9
84.08134	2.0
86.09718	5.3
91.05463	1.5
92.42001	1.3
95.08623	2.5
108.08894	1.3
109.10168	2.7
120.65815	1.4
124.11306	1.6
127.33099	1.4
140.04434	2.0
141.05199	2.0
169.04759	3.4
185.04237	6.7
245.11491	3.7
263.12634	2.4
313.08755	2.1
329.08362	3.3
345.07999	1.9
347.09552	5.2
425.17810	5.8
467.18860	1.9
479.22403	1.9
479.67380	1.7
481.20892	2.0
507.22067	20.3
509.19543	8.7
541.22430	3.5
551.21558	2.7
569.21844	100.0
569.29242	8.4
570.22021	10.7
570.29315	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	569.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26381	0.4
67.05516	0.5
69.07085	0.4
70.06592	7.8
72.08156	4.4
79.05495	0.8
81.03416	0.5
81.07072	0.5
83.08608	0.4
84.04479	0.8
84.08154	2.6
85.02908	0.8
86.09708	2.0
91.05504	1.2
93.07050	0.8
95.04984	0.5
95.08607	0.6
97.02866	0.6
98.23349	1.0
102.05559	0.5
102.09146	0.4
103.05473	0.7
104.05258	0.4
105.07033	1.4
107.08611	0.6
109.02972	0.4
110.07162	0.7
112.78654	0.4
114.05579	0.4
117.07068	0.5
119.08596	1.4
120.08106	8.6
120.45586	0.4
121.08469	0.4
127.03915	0.7
127.08681	0.6
128.46779	0.4
129.10246	1.5
131.08623	0.5
133.10127	0.7
145.05057	0.4
155.08167	0.6
156.74210	0.3
159.11716	1.6
184.07394	0.6
186.09172	0.5
203.05199	0.4
203.12334	0.3
226.11879	0.5
227.18208	0.4
234.76945	0.3
243.17122	1.0
249.12396	1.4
263.12585	0.7
263.16010	0.3
277.11838	0.7
281.12570	0.3
285.09537	1.7
287.07422	1.3
300.35321	0.4
304.74582	0.4
308.70779	0.3
327.10587	0.4
329.08481	0.9
347.09439	3.1
361.10999	0.7
363.17645	0.6
381.18918	1.8
421.17191	0.4
425.17520	1.6
440.25693	0.5
445.21811	1.3
447.19928	0.5
463.22974	5.5
464.23264	0.7
465.21011	2.3
489.20419	0.6
507.21960	5.4
509.19818	1.7
525.22974	4.7
551.20972	4.9
551.30005	0.5
552.21063	0.5
558.72437	0.4
569.21924	100.0
570.22223	9.3
570.31909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23801	2.1
55.01870	2.8
64.60654	2.0
65.03912	3.1
69.78510	7.8
69.78883	3.9
70.06594	6.4
79.05482	3.6
85.02893	3.0
91.05482	20.3
95.04949	6.0
98.23390	3.3
102.04693	3.1
103.05475	10.3
105.07027	9.3
107.04991	3.0
115.05454	4.9
119.04948	26.7
121.06524	6.4
122.03631	5.4
123.04427	3.4
124.05227	2.2
130.04156	5.0
131.04935	10.3
133.06505	9.5
134.88350	2.4
135.04413	5.0
137.05986	100.0
145.02745	3.0
145.06482	7.3
147.04413	29.0
149.05981	9.7
150.06752	9.5
151.07520	7.2
161.06000	32.9
162.06778	47.0
163.07529	7.0
173.06015	11.9
175.07555	4.1
177.05467	9.8
179.07054	10.8
193.04918	6.2
195.06528	3.7
198.61267	2.4
201.05452	32.0
204.04100	6.7
207.06480	4.2
219.06546	27.0
231.06609	5.3
233.06029	4.8
237.09373	2.6
249.07509	4.0
265.08682	6.5
277.08572	5.4
283.09714	3.0
292.07147	3.0
293.08136	6.2
305.07516	2.8
307.09628	5.4
321.14276	2.5
323.09235	18.4
325.10678	22.8
332.50296	2.3
337.10718	8.2
343.11819	15.2
355.11789	17.7
363.91171	2.2
570.22394	35.0
571.23126	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44054	5.9
53.60681	5.6
70.06587	35.5
71.28912	9.8
84.04517	7.0
85.02939	7.1
86.09722	7.1
91.05502	18.2
103.05473	27.0
107.04969	11.1
110.07213	14.2
114.75704	5.8
117.07069	8.5
119.04961	18.1
120.08110	13.2
129.10211	7.7
130.26248	6.0
131.04938	55.2
136.07622	10.4
137.05989	66.4
139.65092	5.5
147.04443	24.2
152.14868	5.5
156.07724	7.2
161.06044	11.8
162.06760	17.2
163.07536	100.0
164.08315	11.9
174.12135	6.7
176.05164	5.9
177.05472	8.3
179.07080	12.0
186.03203	7.8
191.07002	7.5
201.05470	66.8
203.56531	6.5
207.06563	12.1
208.68903	6.4
219.06563	19.4
231.06610	7.1
233.08107	16.9
253.13121	10.4
265.08585	6.6
307.09750	7.8
320.06503	6.2
323.09155	29.2
325.10724	27.7
343.11832	10.2
355.11810	25.2
570.22223	82.7
570.31207	8.5
571.22974	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.6
57.07076	51.5
65.75983	0.8
69.07063	6.4
69.36852	5.0
71.08633	46.2
73.06561	5.5
79.05497	0.9
83.08611	2.8
84.13029	0.7
85.10183	29.6
87.04453	4.4
89.06030	100.0
91.07573	1.4
93.07033	0.9
97.10168	2.5
98.22594	1.7
99.11730	7.8
105.14339	0.8
107.07072	1.7
111.11691	2.9
113.13275	7.3
117.09103	4.7
125.13289	3.1
127.14835	5.1
130.08569	0.9
131.07037	2.0
133.08600	67.2
134.08934	1.2
161.11780	1.1
175.09665	1.7
177.11201	27.9
182.72606	0.8
183.21066	2.2
221.13901	4.0
227.23653	1.8
239.14896	2.4
244.92151	0.8
271.26300	2.5
283.17480	2.7
315.28842	3.6
327.20151	2.5
371.22736	9.0
468.38828	1.0
553.42938	7.8
554.43567	1.0
556.45935	1.1
570.44916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2161
Annotation	Gigasol
Peak:m/z	Relative Intensity
56.05035	0.6
56.53963	0.5
56.96559	1.7
69.07088	0.7
70.06594	7.6
70.34155	1.6
71.06918	0.5
72.08158	5.3
72.33162	0.5
79.05508	0.9
84.04516	1.4
84.08153	2.1
84.96039	0.7
85.02919	1.0
86.09710	6.4
87.13710	0.6
91.05474	0.9
94.54906	0.5
95.04983	0.8
98.97591	8.3
104.05291	0.7
105.07053	0.7
105.87301	0.6
109.02892	0.8
110.07191	1.1
111.81207	0.6
112.99180	1.7
116.07053	0.6
116.98609	2.8
120.08108	4.1
129.10251	1.4
131.00192	1.8
134.99643	0.8
136.07581	0.7
151.01767	0.6
158.99672	2.3
173.01202	1.3
175.02806	0.6
177.00676	1.6
182.99620	0.8
191.02345	1.2
201.00723	2.0
215.67975	0.6
219.01817	1.2
221.08060	1.2
225.00757	1.1
243.01945	0.7
265.10773	2.8
272.43378	0.5
289.11127	1.9
307.12134	2.9
347.09482	0.8
349.13330	1.9
363.06845	2.4
469.18042	0.6
491.22495	0.6
508.37643	0.6
509.23312	1.1
511.18427	0.9
523.19226	1.3
553.20575	8.1
571.21503	100.0
572.21796	8.9
572.35742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2357
Annotation	Midostaurin
Peak:m/z	Relative Intensity
52.67304	0.4
53.03953	0.5
54.66248	0.4
55.05498	0.6
56.05031	0.4
67.05492	0.5
69.03451	0.7
69.07067	0.5
70.06592	5.9
71.29937	0.6
72.08160	6.4
79.05506	0.9
81.07077	0.4
84.04504	0.5
84.08151	2.7
85.02907	1.2
86.09705	7.2
91.05499	0.7
93.07047	0.8
95.04998	0.5
95.08588	0.5
99.04420	0.5
102.09180	2.9
107.04952	1.0
109.02829	0.5
109.06585	0.5
110.07188	0.6
111.04445	0.6
119.08575	0.7
120.08120	2.2
121.08461	0.5
127.03966	0.7
129.10260	1.3
133.06534	0.4
133.10129	0.4
136.07602	0.6
176.38484	0.5
184.75237	0.4
185.04259	1.0
201.12405	0.8
226.08543	0.4
229.11943	0.9
247.13095	0.8
265.14148	0.8
267.08524	0.8
285.09528	1.6
287.07425	0.9
329.08469	2.4
342.20197	0.8
343.09970	1.8
345.08008	1.1
347.09473	3.2
360.03445	0.5
381.53265	0.4
391.10022	1.1
391.17590	0.6
405.10208	1.3
408.27814	0.4
409.18314	3.7
409.27664	0.7
427.19397	2.5
451.19330	1.1
462.96109	0.5
469.20111	0.9
473.21539	1.8
475.19305	0.9
491.22476	9.9
492.22757	0.8
493.20450	3.8
509.23340	5.0
511.21356	2.1
512.21979	0.5
519.77356	0.5
533.56818	0.4
535.21497	3.3
540.20752	0.4
553.22589	19.3
554.22852	1.1
570.32855	0.6
571.23535	100.0
572.23804	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	571.2364
Annotation	Midostaurin
Peak:m/z	Relative Intensity
53.34392	0.6
70.06587	4.0
72.08161	1.4
79.49635	0.8
84.08141	0.9
86.09717	1.7
97.00150	0.8
98.23362	1.9
128.10721	0.9
129.10281	1.4
168.44991	0.7
217.14075	0.8
265.49188	0.8
336.82678	0.8
347.09412	1.4
361.97705	0.7
365.10547	1.8
365.15363	0.8
409.18182	4.1
516.27325	0.8
562.64075	0.9
571.23572	100.0
572.24152	8.4
572.33124	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	571.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.05503	2.1
56.05037	2.5
69.07070	3.4
70.06597	62.7
71.06914	2.1
71.29202	1.3
72.08157	14.7
74.06083	1.4
77.07774	1.5
81.80362	1.5
84.04512	7.0
84.08147	17.5
85.02921	2.1
86.09711	100.0
87.05591	1.6
91.05444	1.7
97.02879	1.4
101.07150	2.0
102.05522	1.7
109.02962	1.3
110.07169	8.5
112.08701	2.0
113.07230	1.6
115.08670	2.4
116.07102	3.7
119.04955	1.6
120.08115	4.8
129.06616	2.0
129.10231	17.8
130.05022	1.9
132.10205	2.7
136.07603	5.7
141.10277	3.1
147.07684	2.2
155.08266	1.8
155.11847	2.8
169.13422	3.4
171.11360	1.6
181.09769	1.4
183.14902	1.8
197.12883	3.4
199.18050	1.8
200.14009	2.0
215.13937	2.6
228.13443	2.8
242.15108	2.8
244.12910	3.2
244.16772	1.5
245.18628	33.7
246.19135	2.5
281.82510	1.6
285.08923	2.3
331.09280	1.6
347.09470	6.8
371.19348	1.8
409.12387	2.9
409.17957	2.1
462.51111	1.7
483.27158	1.4
509.23502	1.7
521.13739	2.5
553.22461	1.9
560.29755	1.6
571.23517	46.2
571.37518	2.0
572.24310	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	571.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.8
70.06593	4.6
71.29923	0.9
76.61956	0.6
84.08166	1.2
85.01065	0.6
106.09309	0.6
107.08639	0.9
112.66186	0.6
120.08105	2.6
126.68171	0.7
138.85793	0.6
150.35031	0.7
188.43549	0.6
217.13411	0.7
234.10884	0.7
313.12582	0.9
409.25656	1.8
497.27341	0.9
571.30951	100.0
572.31354	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	572.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.0
67.05513	25.6
81.07072	31.3
89.06039	20.7
93.07030	21.0
95.08536	14.9
98.22663	29.9
107.08606	13.5
109.10182	11.7
146.97185	12.5
276.23456	11.6
297.09326	11.9
572.32867	100.0
573.37817	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	572.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
57.03427	0.7
57.07079	25.5
67.05509	2.5
69.07063	2.4
71.08637	23.6
72.08169	0.8
73.06561	9.2
81.07062	1.8
83.08615	5.2
85.10187	26.1
86.10501	0.7
87.04485	5.9
89.06035	100.0
90.06388	1.1
91.05481	0.9
91.07569	0.8
95.08622	1.3
97.10184	1.3
99.11737	3.1
105.07099	0.7
107.07079	3.2
109.10181	0.7
117.09135	5.8
118.16414	0.7
119.08558	0.7
121.10128	0.9
121.64077	0.6
123.11674	0.7
130.08659	2.5
131.07043	1.6
133.08611	46.9
134.08974	1.1
141.16382	4.8
155.08437	0.6
161.11797	1.7
173.13496	0.7
173.90504	0.6
175.09705	1.0
177.11221	17.8
178.11632	0.7
179.12869	0.8
185.19002	5.5
221.13893	2.6
226.21748	0.7
229.21614	9.8
237.22188	0.8
273.24258	4.6
278.22931	0.7
283.17615	1.1
299.56104	0.5
311.26016	1.2
313.12650	0.6
327.20267	0.9
371.22513	0.7
415.25314	2.6
467.36334	0.8
511.38049	0.8
555.41016	4.7
572.35345	1.2
572.44147	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	573.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90427	15.7
58.20768	13.7
59.16503	15.5
59.49799	14.6
63.29157	15.3
67.31875	14.0
70.06591	99.3
71.28687	18.3
71.29051	19.7
72.08153	51.6
74.48869	15.5
77.10969	14.0
77.63367	14.0
86.09691	82.9
114.50429	16.7
115.68113	14.8
116.08683	16.4
185.27252	15.8
196.14294	15.3
197.12752	28.8
215.80460	14.7
220.45709	15.0
223.89542	15.6
240.76164	15.6
355.23544	18.3
443.62491	18.2
493.21045	18.0
573.13165	22.0
573.25800	100.0
573.32849	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1944
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
52.41665	0.6
52.81616	0.6
59.36515	0.7
70.06587	1.2
72.08131	0.7
84.08160	1.1
86.09708	1.6
129.10240	0.7
136.50081	0.7
154.37553	0.7
159.04070	0.7
163.82478	0.7
195.31047	0.7
293.93921	0.7
309.09579	0.8
411.14545	0.9
573.19330	100.0
574.19714	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22476	0.8
65.05191	0.8
70.06596	3.7
72.08150	2.6
73.89360	0.8
84.08166	2.1
86.09714	3.4
90.60364	0.7
91.87378	0.9
102.05575	0.9
129.10216	1.3
137.05930	1.0
161.05949	1.3
203.05365	2.6
296.81204	0.9
393.18835	7.5
411.14749	0.9
411.19934	1.2
573.25159	100.0
574.25507	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	573.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
53.28081	1.5
55.01875	2.0
55.05524	1.6
61.02927	1.6
67.05516	1.6
69.03420	8.2
69.17775	3.0
69.18182	9.1
70.06591	4.7
71.04986	4.8
72.08144	5.7
73.02914	3.4
75.05606	2.8
76.31960	1.5
81.03423	12.8
83.04958	1.7
84.08138	2.9
85.02905	63.4
86.03208	1.5
86.09705	38.6
88.21487	1.5
91.05470	2.1
97.02895	23.1
98.23349	3.6
99.03828	2.9
99.04453	40.9
100.04733	1.6
101.50401	1.4
103.03940	71.3
107.08556	1.5
109.02875	19.4
118.08667	2.1
119.04879	3.0
121.02865	8.2
125.87236	1.5
127.03914	100.0
128.04254	3.2
129.10260	2.7
138.78494	1.6
143.11790	12.9
145.04950	67.6
145.06085	4.3
145.10130	1.9
156.08069	2.6
157.08849	1.6
163.06023	40.2
169.04890	1.6
171.11269	6.6
172.11259	3.8
174.09119	2.0
175.10823	2.0
187.06012	4.9
189.01865	2.6
201.12453	2.4
203.03470	3.8
205.07109	3.4
205.12216	5.5
207.02917	1.7
226.11870	1.9
229.05096	1.6
229.11794	3.9
232.13318	6.5
253.07040	2.7
271.08194	11.9
283.05942	2.2
284.19736	3.2
286.14148	1.7
289.09155	10.4
290.13425	2.0
294.05151	2.7
295.05969	9.3
307.06357	9.2
307.10001	10.9
308.06720	4.0
309.07584	3.7
321.07535	4.9
323.08902	2.0
325.06985	3.7
333.07553	3.4
335.09134	3.6
337.07101	7.8
345.07581	2.3
349.06970	3.4
361.07095	3.4
363.08591	3.0
373.07056	2.3
375.08661	2.4
379.08200	4.1
385.20572	2.2
391.08087	4.5
399.22391	1.8
400.07916	2.1
403.21768	2.1
409.08960	2.2
418.09341	3.6
436.10220	6.5
454.11166	3.7
456.10516	2.0
462.44171	1.8
464.73962	1.8
466.11151	6.8
472.10443	1.9
484.11496	5.2
490.11401	2.2
502.11221	1.9
508.12366	12.6
520.12189	12.5
538.13452	22.6
556.14648	2.8
603.05182	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	573.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.4
56.05035	4.1
60.04510	2.5
62.95475	2.0
70.06593	42.4
71.06924	2.9
71.28903	3.4
72.08157	100.0
74.06070	2.5
84.04510	9.9
84.08143	29.1
85.02939	3.1
85.08485	2.6
86.09704	27.1
87.64661	1.9
95.05023	2.1
98.06047	3.4
102.05486	2.0
108.01455	1.9
110.07189	4.0
112.08770	3.1
115.08710	3.6
116.07085	5.5
129.10251	21.6
130.05080	2.9
132.10197	4.5
136.06622	2.4
136.07535	11.2
143.11839	2.3
152.07092	2.2
156.07625	2.0
159.07675	2.3
161.09332	2.1
163.03908	2.8
229.15756	2.6
231.17020	33.0
247.16420	2.1
411.12250	2.8
473.24393	2.2
573.33649	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65105	0.2
51.02884	0.3
52.91272	0.3
55.05505	0.9
56.05032	0.4
57.05799	0.3
60.10762	0.3
69.07066	3.1
70.02934	0.3
70.06594	0.7
72.08151	12.6
75.05602	6.6
84.08141	1.1
85.04009	1.4
86.09700	100.0
87.10008	1.4
88.03990	2.2
98.02422	0.5
98.09686	0.5
98.23360	0.6
99.04512	0.3
99.05585	0.5
110.02396	0.6
118.08646	6.0
127.05025	2.4
129.10233	6.4
138.09125	0.3
143.11784	33.1
144.12146	0.9
145.05074	0.4
145.06065	1.8
154.15913	0.7
155.11797	0.5
156.02956	0.4
156.10172	0.3
157.09703	0.4
157.13374	0.5
171.11276	20.2
172.11598	0.6
173.05556	3.1
175.10773	7.0
175.12256	0.5
183.11298	2.1
197.16501	0.6
199.18036	0.4
201.12309	3.1
209.09175	1.1
211.18190	0.3
225.15976	0.6
226.11830	2.6
227.17572	0.4
229.11810	7.3
230.07791	0.8
239.17580	2.3
240.13432	0.3
244.12935	0.4
254.11411	0.8
255.09706	0.3
266.15570	0.3
266.18637	0.5
268.12933	0.4
270.84460	0.3
272.12363	2.5
284.19653	6.0
285.20050	0.5
286.13913	3.2
290.13434	4.6
300.11716	0.7
304.14627	0.3
315.16708	0.5
326.31821	0.3
338.24454	0.4
339.20255	2.6
343.16092	2.6
353.22043	0.5
357.21207	0.5
367.19934	0.8
371.22781	0.3
385.20740	4.5
399.22281	3.6
403.21899	4.6
424.22363	0.4
428.24808	1.0
438.23074	0.3
442.22946	0.6
456.24454	1.0
527.32007	0.4
537.30896	0.4
555.31110	1.5
573.24792	3.6
574.23364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.2
55.05508	44.5
56.34935	7.7
57.07082	36.1
58.90646	6.2
65.03926	7.4
65.91724	5.8
67.05502	81.1
69.07061	45.0
69.37290	6.9
71.08627	17.2
79.05490	51.8
81.07058	100.0
83.08650	31.8
87.04456	18.4
91.05492	28.8
93.07053	46.6
95.04940	6.5
95.08608	63.8
95.69626	7.2
97.06552	12.9
97.10180	11.0
104.45053	6.5
105.07041	23.3
107.08601	30.5
109.06516	20.8
109.10158	24.9
111.11743	7.3
114.12676	6.3
119.08576	24.7
121.10149	22.4
123.11713	17.8
131.08682	6.0
133.10130	19.9
135.08075	7.4
135.11673	9.8
145.10106	10.8
147.11699	23.3
160.16756	8.6
161.13306	6.9
172.87891	7.3
227.48361	7.6
241.20181	6.5
263.23599	8.8
275.20145	36.9
293.21140	9.1
573.49158	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	573.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05511	20.7
57.07074	43.7
59.17580	2.4
65.03921	2.5
67.05508	46.6
69.07069	22.8
71.08630	36.2
71.90584	2.0
79.05493	31.4
81.07056	57.2
82.07426	2.3
83.08633	18.5
85.06540	2.9
85.10185	19.4
87.04472	5.2
91.05483	21.5
91.31867	2.0
93.07044	45.7
95.08609	54.4
97.10185	7.0
98.23405	3.4
105.07027	15.2
107.08582	19.8
109.10170	23.3
113.12367	2.2
117.07038	3.0
119.08580	12.4
121.10127	15.3
123.11721	9.5
131.08569	6.8
133.10123	11.3
135.11702	21.7
137.13287	5.0
145.10150	7.4
147.11678	7.0
149.13274	9.2
159.11725	7.8
161.13306	6.6
163.14835	4.6
173.13316	6.5
175.14925	3.6
187.14824	5.8
239.23683	10.3
243.21126	7.4
261.22156	28.0
313.27481	6.1
317.24875	6.8
333.23917	2.6
493.59024	2.2
573.48792	100.0
574.49109	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	574.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91147	0.9
53.03935	1.4
55.01882	6.0
55.05523	1.5
56.05024	1.8
57.37711	1.0
62.91641	0.9
65.03961	1.2
66.49462	1.0
69.03429	3.6
69.03841	0.9
69.07052	1.6
69.54388	5.0
70.06597	7.8
72.08154	7.9
75.05608	2.1
81.03414	2.9
84.08144	4.5
85.02901	12.5
86.03232	1.3
86.09706	31.7
87.10047	2.7
91.05483	2.5
95.04954	1.3
97.02914	4.6
98.22749	1.8
99.04469	6.9
100.04798	1.5
103.03934	14.3
104.04270	2.1
107.04883	1.3
109.02876	4.7
111.04420	1.4
119.04958	6.6
120.08083	2.5
121.01984	1.9
121.02869	34.0
122.03207	1.2
127.03914	17.6
128.04309	5.1
129.10225	2.2
143.11769	7.8
144.12170	1.4
145.02864	4.7
145.04933	9.7
146.05255	2.5
147.04405	1.4
163.03957	2.4
163.06029	8.8
164.06387	1.2
165.01826	1.8
166.08736	1.0
171.11330	3.4
175.03932	1.6
175.10873	1.3
176.01154	1.1
177.01825	2.2
187.03961	1.6
189.01822	7.9
190.02571	1.6
191.03450	5.5
195.02934	2.3
202.02609	1.2
203.03377	9.6
205.04929	2.1
207.02864	4.8
209.04343	1.2
215.03429	4.3
217.04970	4.4
219.02914	3.7
221.04433	2.1
227.03433	3.7
228.06474	1.1
229.04987	2.8
229.11781	2.0
231.02837	1.7
233.00905	1.0
233.04565	3.0
235.05797	1.4
243.02962	4.6
245.04523	2.7
257.04333	1.4
261.03958	2.3
267.06516	2.2
268.07248	3.6
270.05139	2.1
272.08606	1.3
273.03909	1.5
279.06613	6.4
280.07242	2.5
281.08136	3.0
282.05072	2.3
283.05978	12.1
284.06784	7.8
284.19586	1.4
289.09036	1.4
290.09512	1.2
291.06729	2.4
292.07242	3.9
293.08066	3.7
294.05246	12.5
295.06009	45.5
296.06650	6.7
297.07492	6.9
298.08469	2.3
305.08188	2.9
307.06024	46.1
307.09756	3.9
308.06769	21.6
308.10355	1.3
309.04291	1.0
309.07529	23.9
310.07886	1.9
311.05576	2.4
311.09003	1.6
313.07019	4.3
317.07959	3.1
319.06046	10.1
319.09491	1.6
320.06717	9.9
321.07581	39.6
322.04822	2.5
322.08270	7.5
323.05420	3.4
323.09076	5.0
324.06113	1.3
325.07059	19.1
329.08133	3.0
331.06049	2.4
333.07556	18.7
334.04721	1.7
334.08179	6.3
335.05469	6.3
335.09174	12.8
336.05920	5.0
337.07071	27.7
338.07538	2.4
339.08664	4.4
345.07507	13.1
346.07315	3.7
347.05341	1.9
347.09293	5.4
348.06073	1.9
349.07074	20.1
350.07687	3.1
351.08627	11.2
353.06567	2.4
355.08194	3.9
356.08875	2.4
361.07040	24.4
362.07663	3.4
363.08542	13.4
364.08975	2.0
365.06509	2.6
367.08148	14.9
368.08755	1.4
372.08420	1.3
373.07019	13.6
374.06467	5.0
375.08682	8.7
377.06546	3.7
379.08112	16.6
381.09741	3.4
383.08585	1.5
389.06406	2.0
390.09979	4.9
391.08078	23.4
392.08185	3.0
393.09888	3.0
395.07886	1.7
400.08023	6.9
401.06699	4.0
403.08145	4.8
404.07800	2.9
407.07678	2.0
409.09125	17.9
410.09860	1.3
413.06604	1.8
414.09973	1.3
418.09186	19.3
419.08322	1.8
421.09381	6.4
422.09232	1.5
426.10532	1.2
427.10138	1.2
428.11423	1.8
430.09100	8.6
432.10757	1.5
433.09195	1.2
436.10248	31.6
437.10370	2.1
439.10199	8.5
440.07382	1.5
444.10849	2.2
447.10602	1.7
448.10263	5.2
454.11346	23.3
454.17480	1.2
455.11737	2.4
456.10989	3.1
458.08850	1.2
463.10263	1.9
466.11401	23.8
467.11472	2.1
472.10416	4.7
475.10150	1.3
476.09781	1.7
484.12161	24.4
485.08273	1.7
490.11316	13.1
491.11337	1.4
493.11078	5.9
502.11319	12.6
503.11557	1.5
508.12384	72.3
509.12720	5.1
520.04504	1.8
520.12396	57.8
521.12549	5.1
538.13428	100.0
539.13678	10.6
556.14502	17.1
556.22803	1.1
557.14752	2.0
574.15015	1.1
574.25482	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	574.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.8
55.05508	1.4
56.76153	1.4
65.03957	1.4
67.05496	1.6
67.87650	1.5
69.03429	2.7
69.70674	6.0
70.06602	9.9
72.08164	9.9
74.45206	1.3
81.03416	1.4
82.58172	1.4
84.04509	1.7
84.08137	3.2
85.02912	2.4
86.09702	9.3
91.05475	3.2
94.02930	1.8
97.02893	2.7
98.22678	2.5
103.03918	2.3
103.05502	1.6
107.04992	2.1
109.02926	3.0
119.04928	10.0
120.08141	2.4
121.02876	41.1
123.08079	1.7
125.02363	2.7
127.03883	4.3
129.10252	3.0
135.04398	2.7
145.02844	6.4
147.04373	1.9
149.06084	1.5
154.42331	1.3
158.06006	1.4
159.04405	1.9
160.22701	1.2
161.02373	1.4
163.03902	3.1
165.01859	1.5
167.04956	1.4
175.03966	1.5
176.01132	1.6
177.01831	2.3
179.03375	1.6
184.46432	1.4
187.03902	4.1
189.01898	6.9
191.03403	6.9
195.02890	5.0
196.72890	1.6
199.03944	2.6
203.03395	15.1
205.05063	2.0
207.02885	6.2
209.04370	2.7
215.03336	8.0
217.05028	6.7
219.02963	3.3
221.04465	3.7
227.03400	3.0
229.05006	3.4
231.02982	4.2
233.04414	2.2
243.02766	3.8
245.04454	3.3
254.05716	1.7
255.03009	1.6
255.06537	1.6
257.04501	2.9
267.06598	2.3
268.07266	5.1
279.06558	8.4
280.07333	1.9
281.08047	3.5
282.05133	2.4
283.06012	16.1
284.06775	8.3
289.08823	1.8
291.06512	3.1
292.07422	4.4
293.08069	5.9
294.05267	14.7
295.06027	58.7
296.06577	9.3
297.07703	9.8
298.08356	1.7
305.08047	3.1
307.02457	2.6
307.06033	52.5
307.09457	2.6
308.06683	21.4
309.03992	2.5
309.07535	33.2
310.07947	4.1
311.05615	1.5
313.07001	3.9
317.08063	3.1
319.05997	6.7
320.06775	13.4
321.07574	45.8
322.08102	6.5
323.05371	3.7
323.09180	7.0
325.07092	21.4
326.07294	1.5
329.08130	4.0
331.06039	2.7
331.09735	1.6
333.07529	22.8
334.08594	7.2
335.05496	3.9
335.09109	20.9
336.06198	4.8
336.09525	2.8
337.07080	38.0
337.10461	1.3
338.07410	2.3
339.08682	5.3
345.07486	19.6
345.11258	1.9
346.07477	3.8
347.05396	3.4
347.09152	11.7
348.06226	2.4
349.07056	30.6
349.11133	2.5
350.07608	3.3
351.08597	12.3
353.06467	3.5
355.08215	5.4
356.09018	5.2
361.07056	25.1
362.07629	5.3
363.08636	21.1
364.08484	2.1
365.10196	2.5
367.08096	21.5
373.07059	15.5
374.06705	5.0
375.08630	15.8
377.06683	2.6
379.08096	19.0
380.08298	1.9
381.09705	4.7
385.09167	2.0
390.09601	4.4
391.08078	31.5
392.08255	2.6
393.09677	7.4
400.07919	6.6
401.06506	4.5
403.08099	9.2
404.08130	1.9
407.07684	3.0
409.03983	2.9
409.09186	33.6
409.14584	2.4
410.09854	3.0
413.06656	1.7
418.09213	28.8
421.09375	11.6
430.09149	8.1
431.07364	2.0
436.10229	30.1
437.10733	4.0
438.09747	2.7
439.10306	25.8
440.10684	2.3
444.10483	2.4
447.10107	1.8
448.10223	3.4
454.11224	22.1
455.11728	3.0
456.10928	4.7
457.11682	1.9
458.08469	3.0
466.11469	18.9
472.10016	3.2
475.09940	2.8
484.11996	20.6
485.09760	1.5
490.11359	9.6
493.11090	7.6
502.11310	17.8
503.11115	2.9
508.12418	56.4
509.12677	2.2
520.12421	57.7
521.12805	7.1
538.13470	100.0
539.13702	9.8
556.14606	13.5
574.16449	1.7
574.24933	2.2
574.39288	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	574.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51133	1.7
55.01875	4.6
60.05635	6.3
67.05510	1.9
69.07074	2.3
70.06593	18.0
71.06276	1.6
71.30238	2.5
71.30629	2.8
72.08142	15.4
75.48510	1.7
79.19067	1.5
81.03432	2.2
81.07053	2.0
84.04515	3.4
84.08138	6.0
85.02892	3.5
86.09696	22.6
87.09989	1.6
91.05466	5.9
95.04984	2.4
95.08611	2.3
97.02875	2.3
100.11292	2.1
103.05491	1.9
107.04935	3.3
109.02859	3.7
112.08711	1.8
119.04949	10.6
120.08102	7.9
121.02867	41.8
122.03205	1.7
123.08081	2.8
129.10223	3.9
131.04971	2.2
135.04346	2.1
145.02827	4.4
145.10066	2.2
147.04369	4.6
159.04474	1.9
161.06027	2.2
163.03909	4.4
175.03859	3.4
177.01801	3.1
179.11462	1.6
189.01820	9.1
191.03448	3.4
195.02853	2.8
201.05373	1.9
203.03375	10.6
205.04985	2.6
207.02892	6.6
207.06483	2.1
208.87849	2.0
215.03416	4.0
217.04909	5.1
219.02904	2.5
221.04364	2.7
229.04842	2.6
233.04431	3.2
243.02837	3.6
245.04488	1.8
267.06619	3.3
268.07379	3.7
279.06494	7.8
280.07291	3.1
281.08084	3.3
283.05945	13.4
284.06644	5.6
292.07297	2.4
293.07938	4.2
294.05292	10.8
294.97217	2.1
295.05994	48.0
296.06729	4.3
297.07422	5.7
305.08252	3.4
307.05957	42.9
307.09235	1.9
308.06610	18.8
309.04004	2.7
309.07532	32.7
310.08066	2.1
313.06827	2.2
317.08176	2.3
319.05954	9.0
320.06848	10.3
321.07541	45.4
322.08115	8.8
323.05585	3.5
323.09143	5.5
324.06097	2.6
325.07022	17.3
329.08044	4.1
333.07523	22.1
334.08267	9.5
335.05377	7.1
335.09085	16.6
336.05899	3.2
337.07034	25.0
338.07513	2.7
339.08655	5.5
345.07550	16.4
347.05493	4.2
347.09210	5.3
349.07098	26.4
350.07495	4.2
351.08478	9.3
353.06479	3.4
355.08139	3.9
357.07693	2.4
361.07037	23.1
362.07587	3.2
363.05035	2.1
363.08701	18.6
367.07999	16.6
373.07111	14.0
374.06421	4.4
375.08560	11.5
377.06638	4.8
379.08255	15.2
381.09747	4.8
390.09750	3.3
391.08109	18.8
392.08182	2.3
393.09695	4.7
400.08014	4.2
401.06522	5.0
403.08029	5.0
409.09161	29.0
410.09579	3.1
418.09177	22.8
421.08868	10.2
430.09006	5.7
436.10251	29.4
437.10648	4.6
439.10309	16.0
448.09869	2.8
454.11255	26.8
456.10745	4.0
466.11346	14.2
472.10083	3.6
479.43539	1.9
484.11960	16.0
490.11221	10.6
493.11115	6.3
502.11215	14.5
508.12375	83.0
509.12506	7.9
520.12366	51.2
521.12469	5.0
538.13397	100.0
539.13818	8.8
556.14594	16.5
556.23553	2.9
574.15155	3.4
574.24670	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56485	2.1
55.05519	11.0
56.85723	2.2
57.03435	8.3
57.07079	53.2
63.06746	2.0
67.05503	30.2
69.07071	16.0
69.52995	10.2
70.06575	4.2
71.08633	38.3
79.05492	13.1
81.07062	48.4
83.08623	17.8
85.10187	26.3
87.04482	4.0
88.07610	4.8
91.05483	9.7
93.07047	11.6
95.08606	36.1
97.10158	8.9
102.09203	2.4
105.06986	4.7
107.08617	10.2
108.08156	2.2
109.02892	5.1
109.10156	20.1
117.07009	4.1
119.08590	4.0
121.10168	4.5
123.11706	8.6
127.03838	3.4
131.08583	3.9
133.10127	5.3
135.11713	3.8
137.13304	4.8
145.10139	2.4
149.13264	5.8
159.11705	2.8
221.22639	2.4
239.23717	33.4
256.26358	39.5
257.24506	3.0
257.26929	4.9
261.22165	4.9
288.23340	2.8
296.18512	3.2
313.27353	100.0
314.27756	5.3
331.28406	12.1
335.25797	3.8
463.54657	2.4
465.25342	2.2
539.28473	4.3
556.39783	2.6
574.32288	4.1
574.40912	56.8
574.49274	1.9
575.40967	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	574.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71762	1.3
53.03956	1.6
55.05516	9.8
56.05024	2.8
57.03438	3.1
57.07081	3.4
58.91082	1.5
67.05508	35.7
69.07082	10.4
70.06606	2.3
70.42216	4.0
71.08664	1.5
79.05500	23.0
80.05018	3.8
81.07059	40.6
82.06591	1.9
83.04981	1.8
83.08632	6.4
87.04470	15.0
91.05482	15.5
93.07046	29.9
94.06568	3.3
95.04994	4.3
95.08600	22.7
95.30224	1.5
96.50377	1.5
97.06523	2.7
101.93583	1.4
105.07014	11.5
107.05009	1.6
107.08588	16.3
108.08067	1.6
109.10147	9.9
110.09683	1.9
117.07043	5.7
119.08575	7.0
120.08109	3.0
121.06539	2.1
121.10143	12.0
122.09697	2.1
122.51243	1.4
123.11744	5.2
124.11237	1.4
129.06987	2.7
131.08549	7.7
132.08072	1.7
133.10139	6.1
134.09654	1.7
135.11685	7.6
145.10153	5.8
147.11719	4.2
148.11307	2.2
149.09651	1.8
149.13231	9.4
154.78241	1.3
159.11690	4.8
161.13289	1.5
162.12790	2.1
173.13351	2.6
176.14409	3.3
177.12729	1.9
182.93719	1.4
195.13847	4.7
196.14066	1.4
197.13171	1.5
204.13939	1.7
222.14865	1.8
243.21194	3.3
261.22217	12.3
269.17535	2.5
288.23309	4.7
296.18619	10.5
298.26208	1.4
306.24213	3.2
332.85364	1.6
335.25748	17.4
476.33691	2.9
529.39026	1.7
556.39813	9.0
573.44971	1.6
574.41028	100.0
575.41290	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	574.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	14.1
55.05521	26.7
57.03431	9.8
57.07084	60.3
57.07356	7.8
67.05505	56.8
69.07082	29.9
69.15179	18.3
69.15597	28.1
71.08636	36.2
79.05510	27.0
81.07059	65.0
81.87409	5.7
83.04996	34.6
83.05418	5.4
83.08648	26.2
85.10173	23.7
87.04465	58.3
91.05479	16.5
93.07057	42.1
95.04974	6.9
95.08627	49.5
97.06530	7.9
97.10169	10.4
98.00251	5.2
98.22850	21.9
99.04441	7.8
105.07015	9.5
107.08593	21.4
107.31982	5.6
109.10150	24.1
111.04453	59.9
111.08083	13.4
117.07034	5.8
119.08584	15.0
121.10144	13.8
123.11700	8.5
126.70920	5.2
131.08586	10.0
133.10086	6.9
135.11682	20.9
145.10109	18.8
153.12755	29.6
163.11159	37.4
181.12238	50.1
191.10695	41.6
209.11682	15.9
221.19421	6.4
227.12817	68.0
239.23669	7.5
283.15436	79.6
301.16437	50.5
313.27332	60.8
367.47214	6.9
377.05630	6.7
539.39362	52.8
574.40240	5.0
574.48199	100.0
575.39758	34.5
575.49524	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33317	1.0
69.33723	1.1
70.06591	1.7
72.08150	0.9
73.27388	0.4
79.82602	0.3
82.91207	0.3
84.04495	0.4
84.08128	0.9
86.09708	1.2
98.23388	0.7
118.47860	0.3
129.10201	0.5
162.53398	0.3
175.03683	2.1
175.05228	0.4
185.04201	0.5
219.06232	0.5
257.56674	0.5
309.09363	0.4
351.10321	2.8
365.12067	2.0
413.12064	6.2
414.12189	0.4
575.17352	100.0
576.17664	9.3
598.89874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31233	3.5
55.05514	31.4
57.07070	42.6
67.05499	55.5
69.02753	30.8
69.07063	35.0
70.08689	3.2
71.08625	29.6
78.06899	3.5
79.05491	25.6
79.21784	3.5
81.07051	76.1
83.08617	31.0
85.10183	14.8
87.04478	5.0
87.12160	3.3
91.05482	10.0
93.07046	20.6
94.41109	3.5
95.08597	60.3
95.09170	5.3
97.06513	3.8
97.09615	3.2
97.10155	17.9
105.07031	10.1
107.08592	12.5
109.06532	6.7
109.10140	24.7
111.04449	8.6
111.11729	5.6
119.08598	9.0
121.10159	11.0
123.11723	13.9
133.10156	6.9
135.11688	8.0
137.05975	28.5
137.13264	4.2
147.31555	3.4
149.13219	6.5
151.14781	3.7
161.13298	5.0
169.15938	3.4
175.14746	3.5
184.21292	3.1
231.17453	3.8
239.23657	10.1
263.23654	4.4
276.43735	3.9
277.17920	27.4
295.18994	5.9
334.79767	3.7
506.69955	3.8
575.36511	9.7
575.50385	100.0
576.08344	4.9
576.50830	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	576.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05507	3.1
57.03438	4.4
61.02938	2.6
67.05515	2.6
68.05051	1.8
69.03437	25.8
69.07069	3.4
69.45588	10.4
70.06592	100.0
71.04987	2.1
71.06915	2.0
72.08160	23.3
73.02920	2.2
74.06107	1.5
81.03420	6.5
81.07041	2.2
83.05003	2.4
84.04516	6.7
84.08133	11.7
85.02904	51.6
86.09711	32.0
87.04469	15.2
88.03998	1.8
91.03942	2.9
91.05505	3.8
95.08603	2.4
97.02893	22.2
99.04458	8.7
102.05582	2.2
103.03955	9.1
107.08624	3.0
109.02912	6.9
110.07201	4.0
115.03941	21.9
120.08118	9.3
121.02858	1.9
127.03907	26.4
129.10265	7.0
133.04977	27.0
136.07584	12.8
141.05490	2.2
141.10213	2.8
145.04948	27.4
147.11687	2.0
159.09200	2.5
163.03970	2.7
163.05989	13.9
183.14958	17.9
187.05997	2.0
199.07237	2.2
207.95932	1.6
211.14441	10.1
214.31804	1.7
215.13986	3.6
216.80594	1.6
231.79532	1.9
243.13605	1.6
245.18712	1.9
259.08115	2.3
263.13889	12.6
265.16403	3.7
295.05951	3.6
307.06061	3.2
315.12796	1.5
316.18771	2.4
325.07260	4.0
325.11124	2.2
333.07358	1.7
342.23825	15.3
364.18179	2.3
373.06726	2.3
409.09549	2.0
414.18555	3.9
464.20877	2.0
476.20737	1.7
481.11136	3.2
576.24573	2.5
576.34021	8.0
577.23486	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	576.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29043	0.7
56.05034	6.8
57.05803	0.8
58.06594	1.9
60.04493	1.2
67.05505	0.9
69.03420	1.5
69.07068	8.8
69.10091	5.1
70.02947	5.0
70.06589	20.7
71.06908	1.0
72.08154	8.5
74.06078	11.4
79.05469	0.9
82.06573	2.7
84.04494	11.7
84.08137	4.8
85.02885	2.9
85.03999	1.1
86.09705	100.0
87.10055	2.2
88.03990	63.8
91.05469	1.4
93.07055	1.2
96.08136	1.2
97.02888	2.0
98.02402	3.1
99.04446	2.3
99.09200	1.4
100.07623	3.2
101.07153	1.9
102.05518	1.6
103.03929	1.5
104.05305	1.0
109.02886	1.0
110.02394	1.4
110.06033	0.9
110.07129	1.2
111.05557	10.1
112.03947	7.3
115.05019	1.1
116.07077	1.6
119.04907	2.1
120.08080	5.7
121.02874	4.5
123.13220	0.7
125.07137	4.9
125.07887	0.7
126.04641	1.4
126.05508	12.3
127.03907	3.6
127.04983	1.5
127.08634	1.7
129.06570	4.4
129.10236	3.4
130.06512	1.0
132.10191	2.9
136.03981	1.2
136.07564	3.7
139.05032	2.8
140.34554	0.7
141.10216	1.9
142.32507	0.8
144.06558	22.8
145.03001	1.1
145.05017	1.8
145.06018	1.7
153.06572	15.7
154.04951	1.3
155.04433	1.3
155.08125	1.7
155.11804	1.6
156.10213	4.8
159.09227	1.7
163.03867	0.9
163.06039	1.2
166.08650	2.7
169.13423	0.8
171.07640	7.1
173.05583	2.8
173.12965	0.9
181.06090	2.7
183.04085	0.8
183.11314	2.2
187.10788	1.7
189.08685	16.3
196.10855	1.4
197.12814	0.8
198.08707	1.9
199.07135	71.0
200.07494	2.0
201.12346	29.3
202.12659	1.6
203.03362	1.2
207.13658	0.9
213.12328	1.1
213.16188	1.2
215.14053	0.9
216.10005	1.0
217.08191	14.7
227.06616	2.1
229.11818	10.3
242.11349	3.2
245.18608	9.7
249.15958	0.9
258.06140	0.8
268.09341	1.0
270.07074	1.3
272.65155	0.9
277.15558	1.5
283.05936	1.0
288.08261	2.3
294.05127	1.0
295.06009	8.8
296.08838	1.5
307.06024	2.6
308.06720	0.9
309.03998	1.0
309.07501	0.9
314.09814	37.8
314.13232	1.9
315.10242	1.8
319.05890	0.9
321.07584	2.8
323.05478	1.2
325.07037	5.2
330.16766	1.0
331.05814	1.2
332.10861	82.8
333.11203	4.4
335.09033	1.6
335.57248	0.8
337.07111	2.8
347.09003	1.9
349.07089	4.8
353.06567	6.0
360.21298	1.1
363.08578	2.2
365.06317	1.4
373.07016	1.5
375.08405	2.6
377.06552	1.5
379.08084	1.6
391.07837	2.4
399.18771	2.3
403.08231	1.6
407.22629	1.2
409.09131	2.9
417.19745	13.0
418.20206	1.7
421.09116	5.0
427.10010	2.1
439.10168	5.7
445.19296	7.7
457.10941	3.4
463.10217	1.4
497.10519	1.7
505.11142	1.7
523.12079	3.0
541.13208	3.5
559.14075	1.4
576.26007	1.7
576.34937	1.2
577.32770	1.8
578.50977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.71870	0.5
55.05507	4.4
56.05020	2.0
57.07078	2.4
58.06596	1.9
60.08164	16.4
67.05506	4.3
69.07059	6.1
69.07357	1.5
69.07742	1.0
70.06587	0.4
71.07377	6.9
71.08611	2.2
79.05490	2.6
81.07054	3.9
82.06567	1.2
83.08192	0.7
83.08618	5.2
85.10187	0.5
86.09705	48.7
87.10021	0.6
91.05490	2.3
93.07047	2.9
94.06564	3.7
95.07372	0.6
95.08600	3.7
96.08142	0.5
97.10174	6.2
98.23383	0.9
98.98469	4.0
104.10742	94.8
105.07038	1.0
105.11083	2.1
107.08600	1.2
109.10146	1.5
111.11720	3.3
119.08581	1.4
121.10143	1.9
125.00002	28.1
125.13303	1.3
133.10153	1.0
135.11705	1.2
139.14793	0.7
143.01025	0.6
163.01494	0.5
184.07341	100.0
185.07623	1.1
205.66689	0.6
207.60385	0.5
209.22720	0.5
233.22716	0.9
245.22513	0.5
250.25261	2.6
258.11069	0.9
262.25299	20.4
263.25610	0.8
269.24588	0.4
272.25839	0.5
280.26334	2.2
393.33832	0.5
498.47269	0.7
518.58307	0.5
523.63971	0.5
524.48950	0.5
542.74841	0.6
558.39093	7.1
558.47388	0.9
559.39276	0.6
576.40295	19.1
577.40826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95993	0.3
55.05515	3.2
56.05032	1.2
57.07068	2.5
58.06604	0.4
60.07883	0.5
60.08166	6.8
67.05511	3.3
69.06722	0.6
69.07066	5.3
69.10427	2.0
69.10833	0.8
71.07371	4.0
71.08629	1.4
79.05473	2.0
80.05018	0.5
81.05798	0.4
81.07060	2.7
82.06577	1.2
83.08620	4.1
85.10159	0.4
86.09708	31.4
87.04430	0.4
91.05499	1.6
93.07028	1.8
94.06568	4.1
95.07365	0.9
95.08606	1.7
96.08151	0.5
97.10175	5.3
98.98468	3.4
104.10740	2.6
105.07043	1.0
107.08586	1.3
108.08142	0.3
109.10168	0.6
111.11723	3.0
119.08576	1.2
121.10134	1.3
122.09679	0.4
125.00009	22.0
125.13268	1.6
133.10107	0.6
135.11653	0.6
139.14807	0.6
147.11723	0.6
153.16388	0.6
165.83562	0.3
184.07347	100.0
185.07687	2.2
221.29752	0.3
233.22649	0.6
245.22562	0.5
250.25348	2.1
262.25311	17.7
263.25577	0.7
269.24686	0.4
280.26321	2.0
558.39294	0.7
558.47919	0.5
576.39990	1.1
576.48999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03935	1.2
53.95868	0.3
55.01852	0.4
55.05515	15.5
56.05051	2.6
56.35348	0.4
57.06798	0.6
57.07080	11.8
58.06578	0.8
60.04527	0.7
61.02912	0.7
65.03931	1.2
67.05511	15.5
68.05017	1.2
68.05837	0.6
69.07073	28.1
70.06586	1.7
70.53717	1.0
71.08635	8.2
79.05495	13.8
80.05030	3.3
81.05800	1.4
81.07064	14.1
82.06584	6.8
82.07355	0.4
83.04976	0.4
83.08624	22.0
84.08111	0.5
85.09728	0.4
85.10193	4.8
91.05483	10.1
93.05789	0.6
93.06474	0.6
93.07053	10.7
94.06573	19.5
95.04974	1.5
95.06843	0.5
95.07366	4.2
95.08031	0.8
95.08615	10.0
95.09557	0.5
96.08130	2.5
96.08933	0.5
97.06519	0.4
97.10175	32.7
98.06041	0.5
99.11764	0.5
100.07574	0.5
105.04520	0.4
105.06378	0.5
105.07040	6.1
106.06551	0.6
107.08601	4.8
108.08121	2.6
109.10155	4.3
110.10542	0.4
111.11725	16.5
113.13316	0.6
119.08596	6.4
121.08909	0.5
121.09240	0.4
121.10145	5.9
122.09674	2.8
123.11697	1.3
124.11221	0.5
125.13277	9.3
127.14817	0.6
133.10130	3.9
134.09657	0.5
135.10558	0.7
135.11690	3.7
137.13249	1.2
139.14825	4.2
141.16109	0.5
147.11655	1.5
149.13243	1.1
151.14778	0.4
153.16336	1.9
161.13269	0.8
163.14812	0.7
165.16316	0.6
167.18056	0.6
175.14787	0.6
187.54016	0.5
191.17886	1.2
199.40475	0.4
199.42404	0.4
200.51077	0.4
209.22672	1.6
219.21162	0.7
227.23608	0.8
231.21027	0.5
233.22643	4.2
245.22720	2.9
248.23654	0.5
250.25323	12.9
251.25589	0.5
254.24707	0.6
260.23584	0.5
262.25308	100.0
263.23392	0.4
263.25687	4.8
269.24744	1.9
272.25946	2.1
280.26358	10.7
281.26505	0.6
288.72452	0.4
297.24261	0.6
330.30676	0.4
353.06659	0.4
377.45490	0.4
470.47266	0.6
486.46671	2.9
498.46741	1.2
504.47678	2.1
516.47601	1.2
534.48486	0.8
546.48718	1.4
558.48792	1.6
576.50385	3.2
577.49963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1549
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
53.03934	0.1
53.91179	0.1
55.05487	0.1
61.36183	0.1
67.01868	0.5
67.05467	0.1
68.99776	0.4
69.03408	0.4
69.07066	0.1
69.14307	0.6
69.14715	0.2
70.06590	0.9
71.04966	0.2
72.08158	0.8
73.02915	0.1
79.05490	0.2
81.03396	0.4
81.07046	0.2
82.00380	0.1
84.08134	0.4
85.02917	0.7
86.09711	1.0
91.05478	0.6
93.07050	0.2
95.04974	0.1
95.08577	0.1
97.02877	0.4
99.04455	0.4
103.03928	0.5
107.08574	0.4
109.02898	0.5
109.24687	0.1
110.07151	0.2
112.79283	0.1
119.04939	1.6
119.08569	0.2
120.08106	0.5
121.02862	0.7
121.10106	0.2
127.03922	1.2
129.01857	0.2
129.10242	0.2
136.07574	0.1
145.02826	0.8
145.04918	0.7
153.01817	4.9
154.02144	0.2
159.11623	0.2
163.03931	0.5
163.05962	0.1
166.49704	0.1
167.10663	0.5
169.06497	0.1
171.02887	0.7
175.08940	0.1
184.43803	0.1
187.03885	0.2
187.05957	0.2
203.07033	0.3
207.06705	0.1
225.05460	0.4
229.04944	0.3
243.06537	0.3
247.05930	0.2
271.05981	100.0
272.06332	5.3
313.06827	0.1
433.11145	0.1
515.15259	0.2
541.13556	0.2
559.13641	0.2
577.15436	1.3
577.23779	0.4
577.31073	0.3
578.22833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1554
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
55.01884	2.4
55.05496	2.4
56.05028	8.8
57.03440	3.6
60.04512	3.1
61.02925	3.9
65.03931	2.7
67.05486	2.1
69.03416	4.2
69.07066	7.9
70.02957	4.7
70.06593	58.5
71.06922	3.3
72.08153	29.3
74.06077	8.5
79.05477	2.0
81.03419	4.6
81.07050	3.2
82.06588	1.9
83.04976	1.9
83.06119	2.5
84.04509	8.8
84.08145	15.7
85.02911	14.3
86.09705	77.6
87.04500	1.8
87.05558	3.1
87.10004	10.0
88.03989	32.8
89.04377	3.8
91.05486	5.6
95.04987	2.8
95.08633	2.3
96.08149	1.9
97.02880	4.6
98.09643	1.8
98.23356	4.4
99.04446	7.2
100.07626	2.1
101.07155	2.3
102.05520	2.5
103.03947	10.5
104.05328	2.8
107.04954	3.0
109.02876	7.2
109.10219	2.0
110.07163	6.6
111.05547	5.5
112.03989	4.1
114.55315	1.9
116.07127	4.4
119.04941	14.2
120.08098	19.0
121.01992	2.7
121.02866	53.0
121.03678	2.6
121.06482	2.4
126.05520	7.7
127.03938	10.3
127.08620	2.4
129.06609	2.5
129.10283	12.4
131.04947	3.3
131.93576	2.1
133.06383	2.5
135.04417	3.9
136.07561	6.2
139.77565	2.1
141.10202	1.9
144.06628	10.1
145.02849	6.0
145.04971	6.0
153.06610	6.0
155.08171	2.1
156.07698	2.3
156.10222	2.1
157.09787	1.9
159.09200	4.6
161.02353	2.0
163.03899	3.0
163.05983	3.0
166.08730	2.2
171.07680	4.5
175.02217	1.9
175.03874	2.6
177.01855	6.4
179.03398	6.3
189.01848	12.2
189.05643	2.7
189.08759	8.8
191.03421	5.2
193.05035	2.3
195.02867	10.9
199.04004	2.9
199.07141	26.1
200.07468	9.1
200.29570	2.1
201.01816	3.7
201.12334	14.0
202.12700	5.8
203.03403	18.8
205.01343	3.8
207.02895	10.0
209.04417	2.0
212.14751	2.2
213.01860	3.1
215.03459	3.8
217.01398	4.9
217.04939	8.0
217.08170	9.3
219.02870	7.9
221.04488	5.5
229.04936	5.9
229.11819	5.2
230.12146	2.1
231.02885	8.3
233.04553	2.8
243.02789	3.0
243.06433	2.6
245.04436	2.5
245.18564	2.6
255.03093	2.4
257.04428	2.7
264.16800	2.3
267.06427	2.8
268.07257	4.5
271.06012	4.6
273.03983	3.3
279.06516	6.8
281.07953	4.0
283.06097	11.4
285.03903	2.6
292.07306	4.6
293.08057	4.2
294.05176	9.2
295.05984	100.0
296.06509	14.1
297.07535	8.4
300.19128	2.4
305.07770	3.0
307.06046	42.2
307.09451	3.6
308.06769	16.2
309.03882	10.3
309.07562	30.6
310.04697	2.3
310.08240	2.3
310.17380	2.1
311.05487	8.4
313.07086	6.5
314.09897	11.1
315.10153	7.7
317.07999	3.4
318.14835	2.5
319.06018	12.7
320.06708	9.0
321.07532	38.9
322.08142	8.1
323.05499	28.1
323.09052	5.5
324.06168	4.1
325.07056	63.8
326.07504	5.3
326.26782	2.1
329.08142	2.3
331.05850	10.1
332.07068	2.7
332.10764	26.3
333.07477	11.4
333.11206	20.3
335.05447	7.6
335.09116	19.8
336.06308	4.6
337.07037	35.9
338.07431	3.0
339.04868	6.3
339.08725	6.0
345.07507	3.9
346.08484	2.7
347.05460	4.2
347.09158	15.4
349.07037	49.6
349.11102	4.4
350.07510	6.7
351.04883	3.7
351.08640	14.8
353.06522	59.7
361.06992	11.2
363.08716	19.4
365.06403	9.1
365.10291	8.1
367.08221	6.3
368.08694	2.3
373.07040	11.6
375.08627	26.3
377.06308	15.4
377.09705	2.2
379.08160	20.2
381.06042	4.4
383.07700	2.7
385.06793	4.7
387.08542	2.8
389.06113	3.7
389.10516	4.5
391.08081	35.1
392.08411	3.1
393.09732	8.1
395.07608	12.3
403.07965	22.5
405.09875	3.6
407.07779	3.0
407.22641	8.8
409.09122	24.0
415.08020	3.5
417.09537	8.8
417.19763	2.2
418.20276	4.5
419.07690	9.2
421.09171	64.1
422.09558	3.2
427.10327	25.0
428.10999	3.0
433.09116	6.5
437.08560	5.5
439.10202	62.9
440.10587	4.0
441.09845	2.2
445.09119	14.1
446.18842	2.4
451.10062	5.9
455.09656	13.2
457.11322	34.4
459.10556	2.8
460.28983	6.1
463.10037	17.2
469.11191	2.4
473.10580	2.9
475.10263	11.4
481.11526	6.4
485.10718	5.2
487.10596	4.8
493.11118	2.5
495.12753	5.3
497.10757	21.5
505.11200	19.7
506.29407	3.3
515.11566	6.7
523.12378	39.7
524.12305	3.3
541.13409	61.6
542.13770	6.8
559.14380	20.8
560.14935	3.2
576.32782	2.7
577.15973	14.6
577.24536	5.7
577.33099	34.0
578.33881	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	577.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52594	1.6
69.43507	5.5
70.06580	6.7
70.06931	1.5
82.57111	1.5
84.04485	1.5
84.08157	2.3
86.09715	2.7
93.64870	1.3
115.34329	1.5
131.04955	2.4
146.07303	4.2
161.09615	2.6
288.60706	1.5
321.23642	1.6
415.10559	2.0
415.40848	1.9
511.43484	1.7
577.16852	100.0
578.17413	7.7
578.25781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
53.30225	1.2
55.05506	3.0
56.05022	2.7
57.03429	2.5
58.29713	1.3
60.04506	1.4
61.02931	2.4
67.05512	1.8
69.03433	10.9
69.07056	5.0
69.09735	8.3
70.06595	41.6
71.04996	4.0
71.06898	1.5
72.08158	22.1
73.02909	3.0
74.06134	1.5
79.05482	2.4
81.03420	13.9
83.04980	1.9
84.04517	3.5
84.08144	17.6
85.02908	60.0
86.09708	45.7
87.04485	2.5
87.09516	1.2
87.10042	4.6
91.03964	1.4
91.05473	4.6
93.07050	1.7
95.04952	2.1
95.06030	1.6
95.08550	1.2
97.02897	29.7
98.06078	1.6
99.04462	37.2
102.05552	2.0
103.03945	76.6
105.07047	1.4
107.04940	1.9
107.36140	1.3
109.02889	18.9
110.07175	7.7
115.08703	1.7
120.08112	19.2
121.10209	1.6
127.03918	100.0
128.04216	1.4
128.10733	2.4
129.06560	1.5
129.10245	15.5
130.08658	3.1
136.07613	3.2
141.10234	1.5
143.11768	2.6
145.04958	57.3
145.10100	2.5
147.11343	3.5
152.08170	2.8
157.09717	3.1
159.11316	2.8
163.03993	2.5
163.06021	49.3
167.07024	13.1
169.04976	2.4
169.13393	1.4
173.06039	2.5
181.04889	2.8
183.15097	1.3
185.09265	1.4
187.06021	5.2
197.12920	2.0
205.07074	2.3
205.09746	2.2
213.12392	1.3
219.10194	3.3
223.15404	1.2
231.48209	1.4
237.11197	4.0
245.11334	5.8
251.14992	1.6
253.07079	3.2
260.19806	2.8
271.08154	11.0
289.09213	9.8
307.10226	12.0
318.18213	2.3
319.18362	1.7
349.06937	1.3
387.14383	3.7
416.19373	2.9
440.22675	1.3
534.32013	1.5
577.36615	3.6
578.36078	9.5
579.21326	6.6
579.30908	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	578.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05506	3.3
56.05013	0.8
65.03932	1.3
67.05521	1.2
68.96100	0.6
69.03409	1.6
69.07060	1.5
69.88892	1.8
70.06586	7.8
71.04996	6.2
72.08144	7.6
73.08543	0.6
78.75211	0.5
79.05488	5.9
81.03406	1.4
81.07049	2.5
81.64405	0.6
83.04980	0.8
84.04514	1.0
84.08139	2.7
85.02890	3.7
85.06522	0.8
86.09702	14.3
88.51006	0.7
91.05476	9.3
93.03409	0.9
93.07040	10.9
95.04963	2.0
95.08599	1.6
97.02879	1.4
99.04444	2.5
100.11249	1.5
103.03935	4.7
105.07021	7.5
107.04938	0.7
107.08589	62.7
108.08934	1.8
109.02882	1.6
109.06511	1.3
109.10124	1.4
110.07154	2.4
111.08071	0.8
113.05978	0.6
115.05431	0.8
117.06998	1.5
118.06390	0.6
119.04945	1.8
119.06096	1.0
119.08571	6.8
120.08131	4.2
121.05732	0.6
121.06513	1.8
121.10165	4.9
123.04408	0.8
123.08093	0.8
125.05920	0.8
127.03903	4.8
127.62607	0.6
129.07022	0.7
129.10242	1.8
131.08551	1.7
133.06470	1.8
133.10083	3.3
135.08043	18.8
135.11685	2.4
136.07564	1.8
137.05980	1.2
139.11183	1.0
143.11783	1.5
144.09334	1.8
145.04948	2.6
145.10110	1.8
147.04399	1.1
147.07957	0.8
149.05957	0.7
149.09746	0.7
149.13289	0.7
151.07578	0.6
153.01802	0.9
159.09196	0.9
159.11676	14.4
161.09631	0.9
161.13211	1.1
161.17316	0.6
163.06020	2.7
163.07469	1.4
163.11185	1.8
165.09119	4.6
166.06082	0.8
167.10674	100.0
168.11034	3.0
171.11345	2.3
175.03937	1.4
177.05467	2.1
177.09119	1.1
177.12735	2.9
179.10646	1.6
182.15408	2.2
187.11169	3.0
187.90988	0.7
193.12245	1.2
196.09727	0.7
205.12222	4.3
207.06580	3.1
210.14989	0.7
219.13770	6.2
219.17294	0.9
223.13147	0.6
227.11929	0.6
237.14847	12.6
271.05978	7.9
271.08572	0.7
284.08496	1.8
284.19778	3.1
307.10080	1.2
324.16779	0.7
355.27228	0.8
383.26465	0.8
431.14981	0.8
535.38550	1.5
578.21497	5.6
579.23474	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	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79295	2.7
55.05516	11.1
57.03440	9.0
57.07061	4.2
66.74427	3.0
67.05505	38.0
68.23820	2.3
69.07083	7.7
69.09926	19.5
79.05493	28.4
81.07065	35.5
81.37897	2.8
83.04986	3.9
83.08627	8.0
91.05466	13.7
93.07061	34.1
94.94337	2.6
95.04981	4.5
95.08611	50.8
97.06545	6.0
97.10156	6.0
98.23438	2.8
105.03387	3.8
105.07042	10.1
107.04966	5.7
107.08583	26.2
109.10176	9.2
113.49736	2.8
117.07011	8.3
117.52915	2.7
119.08578	12.9
120.73216	2.6
121.10123	21.6
121.41551	2.4
121.49714	2.4
125.05949	2.4
128.86879	2.7
131.08618	3.6
133.10121	4.1
135.11713	30.6
139.07553	2.5
145.10118	17.1
163.11203	33.8
181.12244	8.3
227.12785	59.1
261.22052	6.1
266.56964	2.9
268.12363	2.7
283.15363	34.2
284.16141	2.9
335.25827	100.0
336.26077	4.9
423.54974	2.7
543.36823	48.3
544.37329	5.4
578.51709	5.3
579.38708	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	578.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01883	3.1
55.05512	17.1
57.03436	8.2
57.07077	2.5
59.15263	2.3
67.05502	43.4
69.07070	14.3
69.90730	3.3
69.91129	6.8
71.04981	3.0
79.04185	2.2
79.05495	40.7
81.07050	40.4
83.04971	2.9
83.08625	12.9
84.08988	2.3
91.05477	18.4
93.07046	59.1
95.04978	7.5
95.08612	59.3
97.02885	4.3
97.06512	4.7
99.04489	3.2
105.07027	13.3
107.04963	8.8
107.08594	36.9
109.10183	12.3
111.08109	2.9
114.44157	2.3
117.07027	9.3
119.08582	16.4
121.06516	7.4
121.10159	19.4
124.67346	2.5
125.06044	3.5
131.08589	3.5
133.10143	7.3
135.11696	50.1
139.07521	2.5
145.10139	32.0
147.11708	2.9
159.11717	2.3
163.11188	58.1
163.14842	2.7
181.12234	10.2
191.14043	2.4
227.12788	100.0
228.13170	5.3
238.31172	2.8
261.22089	6.6
283.12234	3.8
283.15408	70.0
332.12314	2.4
335.25784	91.9
336.10297	2.3
336.25992	4.4
410.70627	2.7
543.36816	45.9
544.37268	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	578.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05279	0.8
55.05521	10.8
56.05044	6.1
57.07083	9.1
57.17849	0.4
60.04512	0.6
60.08466	0.5
65.02016	0.4
65.03932	1.0
67.04253	1.0
67.05511	7.2
69.07076	18.3
70.06602	0.7
70.94895	0.7
71.08641	6.0
76.71182	0.5
79.05496	5.5
80.05038	0.9
81.05815	1.9
81.07063	8.4
82.06126	0.9
82.06590	14.7
83.08150	0.8
83.08629	16.7
85.10186	3.3
86.28548	0.5
89.06044	0.6
91.05520	1.1
93.07051	5.0
94.06596	0.7
95.05008	0.6
95.07362	1.4
95.08611	6.7
96.08155	3.5
96.08737	0.6
97.06561	0.7
97.10178	20.7
107.08593	1.9
109.10152	2.3
110.09671	0.8
111.11732	13.3
121.10169	2.5
123.11751	0.6
125.13283	6.9
135.11711	2.2
136.22916	0.5
137.13219	0.6
139.14807	2.8
145.33383	0.5
148.49265	0.5
153.16353	1.5
190.95732	0.5
209.22624	0.6
211.20583	1.0
227.23621	0.4
247.24280	1.1
252.26877	18.8
264.26889	100.0
265.27261	5.0
269.24789	1.7
272.25854	0.7
282.27969	8.4
488.48080	1.5
506.50006	2.2
516.30139	0.7
518.49451	0.7
536.50244	0.5
548.51129	0.6
560.50134	1.7
578.51447	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	579.1496
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
50.66188	1.3
51.02402	1.1
51.78463	1.2
52.80629	1.0
53.03948	1.5
54.46124	1.2
55.01869	1.8
65.03963	1.6
68.99802	3.1
70.06589	4.4
70.47639	2.6
72.81004	1.0
76.49377	1.1
79.05466	1.2
81.03422	4.8
84.08134	1.3
85.02924	1.3
86.09711	1.8
89.03922	1.6
99.04440	1.4
107.04945	3.6
109.02881	3.9
111.00831	3.4
111.04462	2.4
120.08080	1.4
121.02873	1.7
123.04437	42.5
125.58605	1.1
127.03918	100.0
128.04276	2.6
131.04916	2.5
135.03392	1.7
135.04422	35.1
137.02281	3.8
137.05949	1.5
139.03902	55.7
143.20724	1.2
145.05003	1.7
145.06551	1.3
147.04442	5.2
149.02365	3.6
149.05956	2.6
151.03905	8.2
156.42421	1.1
157.06480	1.6
159.04425	3.6
161.05983	2.3
163.03914	37.1
165.05513	4.6
167.03392	9.9
169.06493	2.9
173.05984	3.1
175.03935	3.7
177.05478	3.7
179.03455	2.5
187.03844	7.8
189.05473	1.9
191.03384	11.6
193.04947	3.5
197.05997	3.2
201.05508	7.6
203.03442	7.4
203.07019	2.0
205.04967	2.6
207.06511	2.2
213.05409	1.7
215.03453	2.3
215.07021	2.4
217.04967	2.4
225.05547	1.8
229.04968	7.5
231.06557	1.9
233.04329	5.7
241.05016	1.7
243.06607	5.3
245.04407	6.6
247.06049	14.2
252.22418	1.2
255.06546	2.0
257.04459	9.8
258.04962	1.1
259.05991	9.6
269.04407	2.5
271.05991	19.6
275.05493	17.0
283.06024	7.7
287.05484	26.0
288.05765	1.5
289.06964	9.0
291.08688	10.0
299.05490	3.1
301.07056	12.1
303.08603	1.8
375.62378	1.4
409.09189	22.3
410.09552	1.5
411.10620	3.8
427.10086	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	579.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04669	0.6
53.03938	1.7
55.05508	0.8
55.08517	0.4
56.05017	0.8
57.03427	1.7
59.51497	0.5
67.01872	7.0
68.99784	4.3
69.03436	3.8
69.07054	0.5
70.06596	4.8
71.04973	1.3
71.11334	0.6
72.08138	1.6
72.51737	0.4
73.02894	0.9
81.03416	4.9
81.07046	0.5
84.04504	1.0
84.08138	1.0
85.02907	14.1
85.03433	0.7
86.09708	7.9
91.03934	0.5
91.05468	1.9
93.07040	1.0
95.04933	0.9
95.08580	0.6
97.02889	8.2
99.03835	0.7
99.04457	9.6
102.05531	0.9
103.03934	11.6
107.04952	1.9
109.02881	6.5
110.07182	0.8
111.00769	0.7
111.06487	0.5
115.03912	0.8
119.04951	5.2
120.08109	3.9
121.02879	1.0
121.06487	2.8
123.04416	1.4
125.02359	1.8
127.03918	19.9
129.01852	1.6
136.07574	0.8
145.02956	0.5
145.04958	9.9
145.06087	0.5
147.04410	19.3
149.02377	0.6
151.03888	1.1
153.01823	100.0
153.10207	0.8
154.02158	2.1
163.03868	1.2
163.06029	1.1
165.01788	2.3
167.03351	0.9
167.07018	0.8
169.04984	0.8
171.02885	40.3
171.11227	0.6
172.03307	0.7
177.01877	3.5
177.05408	1.0
177.10255	0.9
178.10400	0.6
179.03398	2.2
183.02881	0.5
183.14954	0.7
183.60559	0.5
187.06027	0.8
191.03407	2.4
193.10474	0.5
195.02882	21.1
196.03177	0.5
212.14722	0.5
215.03464	0.9
215.13922	1.3
219.02892	4.4
231.06580	0.8
233.04465	0.6
243.02885	1.7
243.13452	1.3
261.03964	5.1
262.91052	0.5
271.05902	5.3
272.06320	0.7
273.07574	92.1
274.07916	3.8
279.04971	1.3
285.07751	1.0
297.07770	3.9
315.08591	6.1
334.13934	0.6
339.08698	4.3
363.08585	1.7
381.09637	4.5
399.10806	1.2
481.84262	0.5
579.22461	0.9
579.34125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03447	0.2
67.01861	0.6
68.99812	0.3
69.54317	0.9
70.06589	0.4
71.04998	0.6
72.76278	0.1
74.43989	0.1
85.02903	0.7
89.20399	0.1
91.05495	0.4
92.69179	0.2
97.02911	0.2
98.22642	0.3
100.11256	0.4
111.04454	0.2
119.04957	2.0
120.08028	0.2
121.02864	0.6
127.47560	0.1
129.05397	0.2
145.02846	0.5
153.01834	4.8
156.05717	0.2
163.03915	0.4
171.02864	0.7
182.15384	0.2
209.16454	0.2
210.14836	0.3
225.05402	0.3
229.04984	0.3
243.06364	0.2
271.06006	100.0
272.06357	5.4
337.49146	0.2
523.79773	0.2
578.38080	0.2
579.15515	0.2
579.33716	0.3
579.42285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
57.03420	2.5
61.02925	3.0
62.32281	1.4
65.03941	1.7
69.03428	44.4
70.06584	9.3
72.08151	4.6
73.02894	1.8
80.30983	1.3
84.08128	3.4
85.02903	5.8
86.09706	4.8
91.05466	3.3
97.02886	2.4
102.76274	1.2
103.03943	4.7
107.04960	4.0
109.02882	2.3
111.04446	1.8
119.04933	9.6
120.08113	5.1
121.01978	2.7
121.02863	45.8
127.03904	3.3
129.10255	1.4
130.05788	1.6
135.04425	3.6
145.02852	6.8
145.04951	2.5
147.04445	1.5
157.06384	1.4
159.69188	1.4
161.02376	1.6
163.03900	4.5
163.06013	2.3
169.06522	1.6
173.02321	1.9
176.00960	2.8
177.01822	3.5
179.03426	2.5
183.04321	1.5
185.05959	2.2
187.03897	3.2
189.01805	10.4
190.02695	2.3
191.03412	5.8
194.02109	1.9
195.02834	4.1
201.01807	2.0
201.05449	2.8
203.03394	13.1
205.04950	2.6
207.02873	7.7
213.05455	5.3
215.03319	3.7
215.07104	1.6
217.04930	2.8
219.02869	6.7
221.04413	4.3
225.05597	2.8
227.03363	2.9
227.06831	1.7
229.04933	7.3
231.06465	2.0
233.04379	2.9
239.07309	1.8
241.04926	3.4
251.07048	1.6
253.66072	1.6
257.04416	5.2
259.06094	2.0
265.05045	1.9
267.06528	2.8
268.07202	2.7
269.04474	3.7
269.07819	1.5
279.06564	6.6
280.07117	3.2
281.08014	5.7
282.05222	2.6
283.05939	5.7
284.06570	2.6
287.05325	2.2
292.07288	2.2
293.07941	4.1
294.05237	27.5
294.08450	2.8
295.06009	47.8
296.06665	6.9
297.07626	9.2
298.08023	1.7
305.08087	4.2
307.02402	2.9
307.05994	59.0
307.09332	2.7
308.06732	22.6
309.04312	2.0
309.07556	16.1
313.07141	4.6
317.08078	2.3
319.05902	9.4
319.09476	2.8
320.06833	4.4
321.07581	34.3
322.08148	10.1
323.05585	2.4
323.08987	6.8
325.07068	37.5
326.07413	1.8
331.05994	1.8
331.09604	5.0
333.07635	12.8
333.11292	2.2
334.08157	6.7
335.05450	2.9
335.09100	13.1
336.06042	7.0
337.07034	73.4
338.07385	5.1
339.08563	3.9
343.09552	7.2
344.10190	1.7
345.07596	4.1
346.08191	1.8
347.05460	2.3
347.09146	12.9
349.07013	33.3
349.10629	3.0
350.07703	3.2
351.08591	19.1
352.08951	1.8
355.08102	17.3
357.07410	3.5
359.09097	12.7
361.06979	11.3
361.10754	4.9
363.08505	14.9
365.06223	3.5
365.10349	3.1
367.08163	7.7
369.07666	2.3
371.09189	2.0
373.06784	1.9
373.10858	3.2
375.08594	35.5
376.09000	3.4
377.10291	12.6
379.08063	52.4
380.08530	3.4
381.09579	3.3
385.10614	2.7
387.08530	24.6
388.08929	2.7
389.10303	7.2
391.07962	11.9
393.09628	9.7
401.10205	6.5
403.08026	13.6
405.09659	50.0
406.09848	4.3
409.09021	7.3
415.12189	3.1
417.09622	8.2
421.09308	7.2
423.10706	67.0
424.10892	5.4
427.10281	10.2
428.10541	1.8
429.09558	17.0
433.08954	2.0
435.10602	5.4
439.10138	9.2
441.11819	31.1
445.09384	2.0
447.10712	20.9
457.11221	20.3
458.11563	1.5
459.10397	8.2
460.11111	1.7
463.10117	9.1
469.76871	1.7
471.10776	6.6
475.12329	18.1
477.11536	4.1
481.11325	35.3
482.11197	3.4
489.11615	12.7
499.12329	24.8
507.12854	25.7
525.13910	100.0
526.14282	11.4
543.14899	50.0
544.15094	5.9
561.16028	9.9
579.17224	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	579.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.05027	2.7
61.02917	2.6
67.05492	1.7
69.03431	15.5
69.67444	8.7
70.06591	31.4
71.04964	4.2
72.08155	20.9
81.03426	3.3
84.04501	4.2
84.08146	13.0
85.02905	14.5
85.03993	1.6
86.09709	43.7
87.05595	2.6
88.04037	2.5
91.05464	3.2
94.74461	1.7
98.23347	2.5
99.04462	2.4
102.05547	2.3
103.03942	4.1
103.05457	2.6
107.04940	2.3
109.02871	3.7
110.07165	7.6
111.04433	1.6
112.08724	1.6
119.04981	10.0
120.08099	30.9
121.02870	38.1
127.03912	6.1
128.10748	3.0
129.10242	5.5
133.06108	3.8
136.07574	7.4
145.02855	5.6
163.03920	2.9
163.06029	2.3
165.01865	2.4
175.03905	2.7
177.01808	3.3
177.05467	2.0
179.03432	2.3
189.01808	5.1
191.03354	4.5
195.02936	3.8
200.13885	1.7
203.03464	8.5
207.02896	4.8
213.05392	3.8
215.03439	3.0
217.04947	4.7
219.02841	3.1
221.04443	3.3
229.05003	4.5
229.11852	1.9
231.06290	1.9
231.11316	2.0
232.11400	1.7
233.04445	2.6
241.05005	2.4
255.06561	4.9
256.07266	4.4
257.04483	3.9
259.05981	2.4
261.04007	2.1
261.15985	1.8
268.07245	3.7
270.05215	2.3
271.05975	15.5
279.06586	6.2
280.13034	2.5
281.08026	2.2
283.06024	55.8
284.06778	34.7
285.07300	4.8
291.06561	2.2
294.05212	12.0
295.06039	53.6
296.06610	8.8
297.07550	19.3
300.15582	5.7
307.06012	32.8
308.06705	12.3
309.07602	17.1
310.27301	3.1
311.05594	3.0
313.07034	91.6
314.07565	4.1
319.06055	3.0
320.06708	3.2
321.07587	31.0
322.08182	8.8
323.05582	2.8
323.09045	22.1
325.07068	53.6
326.07385	3.0
333.07553	7.4
335.05600	2.4
335.09018	9.3
336.06183	3.7
337.07062	56.5
338.07462	3.4
343.08243	6.0
345.07578	2.4
347.09122	12.7
349.07047	35.0
350.07819	3.3
351.08646	22.5
355.08145	7.8
361.06985	9.0
363.08627	6.1
365.10168	4.8
365.17581	2.8
367.08206	12.0
375.08710	19.0
377.10257	6.1
379.08102	32.8
380.08453	2.6
387.08560	5.7
389.10257	2.2
391.07993	8.2
393.09628	15.0
397.09125	17.9
401.10199	2.1
403.08145	16.9
405.09662	13.0
409.09320	15.7
411.10712	26.7
415.10342	24.9
417.09573	2.3
419.11447	3.3
421.09235	10.1
423.10873	12.1
429.11667	12.2
433.11295	100.0
434.11554	6.9
439.10208	9.5
441.11844	10.0
447.10641	14.0
447.21063	2.1
457.11371	17.3
459.12894	10.1
465.11771	21.6
466.11633	2.4
471.10666	5.0
475.12064	4.0
477.11691	2.4
481.11343	6.8
483.12946	19.0
489.11945	8.1
495.12747	9.7
499.12085	3.2
507.12936	13.3
513.13904	11.0
525.13885	29.9
526.14557	2.0
543.14966	16.6
561.15778	7.5
578.35504	2.2
578.43726	2.5
579.16754	13.6
579.31616	7.7
580.17566	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	579.2601
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
57.07084	3.0
58.81151	2.2
67.05497	5.1
67.29716	2.3
69.07068	6.2
71.29231	2.0
71.29657	2.5
81.07045	2.8
95.08633	3.6
96.11008	2.2
109.10188	3.6
126.67828	2.3
264.26862	2.6
270.95102	2.3
292.02933	2.7
347.53677	2.6
377.88248	2.6
379.19061	3.6
391.19550	2.7
393.20987	3.8
405.21167	2.9
421.20251	8.3
435.18015	4.9
436.22742	12.1
447.21951	4.3
449.19659	9.4
462.20819	3.1
463.21201	15.9
475.20966	15.4
477.22833	4.2
492.21442	17.0
493.22470	3.0
503.23898	4.8
519.23749	3.3
523.27014	14.5
535.27209	4.8
547.23596	3.2
551.26434	34.1
552.27185	3.3
578.51630	6.3
579.26013	100.0
579.52661	2.8
580.26288	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.6
51.02382	0.8
53.03946	3.0
55.01874	3.4
55.05510	10.3
56.19505	0.5
57.03444	3.2
57.07071	4.0
58.38174	0.6
59.04999	0.5
63.34100	0.6
65.03928	2.3
67.05503	59.0
68.05856	0.6
69.03426	3.8
69.06689	0.5
69.07059	9.8
69.07412	0.7
69.65296	2.5
71.04996	1.8
71.08631	2.2
73.02918	3.4
75.04478	1.0
76.64413	0.5
77.03950	0.6
79.05491	33.0
81.03432	4.6
81.07054	65.2
82.07393	1.2
83.04977	1.9
83.08614	5.9
85.02899	4.0
85.06528	2.4
91.05474	18.6
92.05816	1.0
93.07040	45.7
94.07382	0.8
95.04964	2.2
95.08603	48.6
96.08917	1.1
97.02880	2.5
97.06536	2.7
97.10171	3.1
98.98452	1.3
99.04463	2.9
99.08085	1.8
104.10719	0.7
105.04523	0.7
105.07026	16.1
106.07346	0.7
107.04980	0.8
107.08589	31.6
108.08952	0.8
109.02869	8.5
109.06522	1.9
109.10150	28.1
110.03674	4.0
110.10459	0.6
111.04430	3.2
111.08087	1.6
111.11712	0.6
113.09634	1.6
115.05423	1.1
117.07012	8.5
119.08579	15.4
121.10136	28.4
122.10506	0.8
122.82089	0.5
123.08085	1.2
123.11705	14.5
123.12560	1.0
124.99168	0.5
125.09635	0.9
127.03916	4.2
128.06184	0.8
129.06995	1.2
131.07556	0.9
131.08559	18.0
132.99602	1.1
133.10130	13.2
135.08124	0.6
135.11688	23.6
136.12022	1.0
137.09647	1.5
137.13243	6.4
139.11189	1.5
143.08549	1.6
145.10110	13.5
147.11693	9.8
148.12080	0.6
149.09584	1.1
149.13243	15.1
151.11212	1.7
151.14803	1.9
153.12708	0.9
155.01064	1.5
155.08524	0.8
157.10149	1.9
159.11694	14.8
161.13254	6.9
163.11124	1.1
163.14818	11.3
165.12794	1.5
165.16380	0.7
171.11694	1.1
173.13255	14.3
174.13580	0.6
175.14774	3.5
177.12827	1.1
177.16350	4.1
179.14294	2.1
183.11644	0.8
185.09583	0.6
185.13266	0.8
187.14816	7.4
188.15132	0.5
189.16447	0.8
191.00046	3.5
191.14268	1.1
195.11646	0.5
201.16362	2.7
205.15858	1.2
209.01074	1.2
211.14777	0.6
215.17775	0.9
219.17451	1.5
233.18901	0.7
233.22572	3.8
243.21063	24.0
244.21422	1.6
245.22633	0.7
259.20676	0.6
261.22125	100.0
262.22443	5.1
263.23645	2.0
279.23297	2.8
299.23663	0.6
303.23041	2.7
317.24683	0.7
327.23141	0.8
335.25760	10.9
336.26218	0.7
337.27225	1.1
351.23077	1.4
353.26849	64.6
354.27286	3.9
365.27011	0.6
369.24240	2.9
371.25320	0.7
377.26917	2.5
389.26938	0.8
427.28333	0.7
433.20288	1.5
443.28125	1.5
451.21420	2.4
469.22256	2.0
487.23541	0.9
507.24091	0.7
523.41711	0.6
543.26117	0.9
561.27264	3.2
562.27722	0.7
579.27271	0.6
579.35876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01871	3.3
55.05508	11.2
57.03431	3.8
57.07065	2.9
61.42060	0.6
65.03928	3.1
67.05502	69.8
68.05820	0.9
69.03421	3.3
69.07063	12.3
71.04980	1.7
71.08624	1.6
73.02913	3.0
73.38509	0.7
75.04473	1.1
79.05494	38.7
80.05860	0.7
81.03413	5.5
81.07055	73.9
82.07394	1.4
83.04978	2.3
83.08611	6.4
85.02906	4.6
85.06528	2.4
91.05482	18.4
93.07042	50.4
95.04953	2.9
95.08606	59.3
96.08955	0.9
97.02876	1.6
97.06519	2.6
97.10155	3.1
99.04439	3.5
99.08105	2.1
100.31499	0.6
103.03880	0.7
105.04495	0.7
105.07028	16.3
106.07336	1.0
107.08591	35.0
108.08900	1.0
109.02882	9.3
109.06499	1.2
109.10156	33.3
110.03655	4.0
110.10458	0.8
111.04459	4.0
111.08110	1.5
111.11742	0.7
114.72153	0.7
117.07008	9.4
119.08576	13.3
121.10140	29.6
122.10461	1.1
123.08082	1.8
123.11703	17.6
125.09599	1.2
127.03925	3.9
129.06985	2.1
131.08562	18.0
132.99524	2.0
133.09203	1.4
133.10129	14.1
135.11693	25.1
136.12019	0.8
137.09628	1.6
137.13252	8.1
139.11179	1.4
143.08548	2.1
145.10109	14.2
147.11685	10.9
149.09636	1.2
149.13254	18.4
151.11185	1.8
151.14848	2.7
153.12759	2.0
154.94128	1.7
157.10086	1.3
159.11693	13.8
161.13266	9.2
163.11168	0.9
163.14801	12.4
165.12769	2.2
169.10042	0.7
171.11681	1.3
172.95241	1.3
173.13263	14.4
175.14801	3.8
177.12726	1.0
177.16377	4.8
179.14299	2.9
185.13245	1.5
187.14828	8.2
189.16353	1.1
191.00081	3.5
191.14265	1.5
201.16376	2.6
205.15813	0.9
209.01079	1.3
215.17952	1.5
219.17468	1.1
231.15886	0.7
233.18993	0.9
233.22676	4.0
243.21069	26.1
244.21298	1.4
261.22131	100.0
262.22473	6.7
263.23703	2.1
277.21637	0.7
279.23178	6.0
288.23688	0.8
303.23154	1.3
315.22995	0.7
317.24680	1.6
335.25797	15.7
336.26126	0.8
351.23245	1.2
353.26868	67.8
354.27127	4.6
369.24237	2.1
371.25696	0.9
377.26648	1.7
427.28378	1.6
443.27805	1.3
451.21283	2.6
469.22220	1.9
473.19824	3.1
479.44650	0.8
537.71527	0.8
561.27417	4.8
579.30627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99935	100.0
82.06574	15.2
87.07598	10.8
151.52180	11.6
189.51263	12.4
244.35989	13.0
262.25262	13.7
356.11862	12.1
477.80746	11.9
479.86145	11.2
579.36475	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19962	3.8
53.03960	8.8
55.65169	3.3
56.05035	4.8
61.02920	3.6
69.03436	14.0
69.10364	24.9
70.06592	55.9
71.05003	5.1
72.08163	16.8
79.10868	3.3
79.13137	3.2
81.03413	27.0
83.04993	6.3
84.04522	8.2
84.08157	20.4
85.02908	79.8
86.09712	17.0
91.05481	7.1
93.07048	7.7
95.04936	6.9
95.08601	7.0
97.02910	27.6
98.22598	5.6
99.04458	38.3
103.03944	88.1
105.07026	8.4
107.04956	5.0
109.02890	25.5
109.06555	4.8
109.10165	4.4
110.07193	15.1
119.08589	13.3
120.08109	11.6
121.10142	5.5
123.08089	5.4
127.03912	100.0
129.10265	15.6
135.08066	9.6
135.11656	4.9
136.07584	6.9
137.02353	4.4
139.47348	4.1
145.04961	67.8
147.08040	8.8
149.09653	7.6
155.08221	3.8
161.09621	9.5
163.03886	5.6
163.06029	57.8
163.11256	5.0
165.09149	10.8
175.11218	7.9
179.10713	7.4
183.10204	8.0
187.05983	4.4
203.10655	10.2
205.07079	6.7
221.11768	29.4
239.12784	35.8
271.08237	9.0
289.09308	6.8
307.10172	15.5
311.05362	5.2
349.07013	5.2
353.06631	4.1
356.82089	3.7
377.06735	5.1
425.08694	5.8
497.10364	4.8
527.11243	4.4
579.81104	6.1
580.30499	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91712	1.1
53.03948	10.4
54.08887	1.0
55.01876	2.8
55.05503	4.3
56.05028	0.9
57.03427	4.4
61.02924	3.8
67.05489	3.7
69.00736	9.3
69.03425	24.1
69.07068	6.3
70.06589	5.7
71.03239	0.9
71.04991	7.7
71.08623	0.9
72.08154	4.1
73.02903	5.1
74.06081	1.5
79.05492	11.7
81.03416	36.7
81.07055	63.9
82.07375	1.7
83.04982	15.5
83.40251	0.9
84.04478	1.3
84.08154	1.2
85.02903	66.1
86.03226	0.8
86.09709	7.3
87.04472	3.2
89.53879	0.9
91.05482	5.2
93.07057	4.7
95.04986	7.2
95.08590	4.6
97.02886	42.8
99.04451	44.8
99.08089	27.4
103.03937	49.6
105.07057	5.2
107.04994	2.0
107.07937	1.8
107.08593	15.9
108.09438	1.2
109.02876	29.3
109.06530	5.3
109.10154	3.3
110.03239	1.2
110.07169	4.4
111.04401	5.2
111.08060	2.6
111.56203	1.0
113.02390	1.7
115.03915	1.7
115.08718	1.3
117.07028	1.3
119.08582	5.7
120.08073	2.8
121.06503	2.0
121.10127	3.7
123.04421	28.0
123.08070	1.8
125.06034	1.1
125.09627	20.6
126.10420	1.0
127.03912	100.0
127.07559	9.8
128.04245	1.2
131.08578	1.6
133.06540	1.0
133.10103	3.5
135.08073	3.0
137.05977	11.4
137.09583	2.9
138.06746	2.9
139.07533	1.4
141.05476	13.5
143.10632	2.1
145.04953	43.4
145.10136	1.2
147.08058	2.9
147.11597	1.0
149.09644	2.9
151.11217	1.8
153.05464	3.9
161.09622	5.1
163.06030	6.4
163.07401	1.9
163.11147	2.2
165.05469	2.3
165.12772	2.0
169.04938	1.3
173.12863	1.2
175.11186	4.5
179.10651	7.1
181.12265	1.0
187.06041	10.8
193.12215	7.6
203.10690	4.4
205.07098	3.3
221.11723	19.7
223.13330	1.9
239.12770	73.2
240.13170	3.8
253.07153	1.2
263.22583	1.3
271.05899	3.4
271.08218	4.4
272.06277	3.5
289.09250	2.1
293.65189	0.9
307.10373	1.3
336.94144	1.1
346.47397	1.0
358.23425	1.3
362.46735	1.2
400.25546	1.1
418.25992	5.9
447.15146	2.7
476.57602	1.1
529.22589	3.8
580.23883	2.5
580.31537	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	580.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.9
53.24395	0.9
55.01868	2.8
55.05500	4.6
57.03425	5.2
61.02925	4.0
67.05504	2.3
69.03429	28.0
69.07070	4.5
70.06589	4.1
71.04995	7.8
71.08607	1.0
72.08152	2.4
73.02918	5.5
73.03263	1.0
77.97209	1.3
79.05485	10.8
81.03415	37.4
81.07053	76.1
82.03798	1.5
82.07384	2.2
83.01335	1.1
83.04975	12.2
84.08147	1.1
85.02901	73.9
86.09715	3.3
87.04469	2.5
89.99683	1.0
91.05465	5.8
93.07063	5.1
95.04960	7.2
95.08591	5.2
97.02885	42.6
97.21478	1.0
98.03241	1.1
99.04450	47.7
99.08086	31.7
100.11278	1.5
103.03939	48.6
105.07041	5.7
106.01985	1.2
107.04970	1.5
107.08577	12.4
109.02877	31.5
109.06506	5.4
109.10137	1.7
111.04456	4.1
111.08117	1.7
113.05969	1.7
115.03967	1.9
119.08590	5.3
120.08095	2.6
121.06525	2.1
121.10139	3.3
123.04422	30.7
123.08081	2.7
125.09632	18.0
126.10371	1.6
127.03909	100.0
127.07542	9.0
128.04269	2.2
129.10252	1.6
131.08586	1.5
133.06467	1.6
133.10143	4.1
135.04469	1.2
135.08047	4.0
135.11694	1.2
137.05975	9.2
137.09628	2.2
138.06754	2.1
141.05457	17.3
143.10667	3.5
145.04950	40.5
145.10101	2.6
147.08057	1.9
147.11711	1.1
149.09631	2.8
153.05470	4.5
159.07993	1.8
161.09610	4.8
163.06067	6.8
163.11166	2.8
165.05544	1.8
169.04971	3.0
175.11159	3.9
177.05527	1.0
179.10629	5.4
181.12193	1.9
187.06007	10.5
193.12260	6.7
199.06108	1.2
203.10683	3.5
205.07121	2.8
209.11807	2.0
217.97870	1.1
221.11732	13.1
223.13342	3.5
229.28922	1.5
239.12772	59.3
240.13197	3.4
271.05658	2.1
271.08411	6.4
272.06253	2.8
289.09097	3.0
418.25787	4.3
447.15027	2.3
525.47174	1.0
529.22766	6.3
580.31348	4.5
581.22009	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	580.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05511	4.7
57.03463	2.1
67.05502	6.6
69.00265	13.8
69.03428	8.0
69.07062	5.3
70.06592	12.7
70.58366	1.4
71.05006	3.9
72.08144	4.6
79.05511	9.9
81.03406	8.9
81.07053	12.8
83.04977	1.7
83.08621	2.2
84.08144	4.1
85.02911	33.1
86.09708	7.0
87.13692	1.6
91.05495	15.1
93.07049	23.0
95.04968	1.7
95.08618	14.6
96.09058	1.5
97.02891	12.2
99.04446	15.3
99.08092	2.2
103.03941	35.1
105.07030	44.2
106.53831	1.5
107.07860	3.8
107.08593	69.4
108.08950	2.5
109.02872	6.3
109.06499	2.1
109.10152	7.6
110.07172	4.2
119.04873	2.6
119.08579	42.8
120.08109	6.2
121.06541	1.9
121.10147	44.2
123.08089	5.3
127.03923	41.7
133.06497	13.5
133.07550	3.9
133.10123	11.1
135.08104	2.4
135.11694	3.5
136.07555	2.4
137.05997	2.3
143.08586	2.1
145.04951	22.2
145.10100	2.6
147.08032	3.8
147.11670	11.6
151.07552	27.7
158.21339	1.7
161.13260	60.9
162.13593	3.2
163.06032	19.3
163.14865	3.1
165.09125	44.4
171.11642	2.9
175.14864	1.9
177.05481	4.4
179.10709	4.4
179.14264	8.2
187.05936	2.9
189.12743	11.4
203.07065	1.8
203.17929	14.9
207.06532	2.9
207.13812	100.0
208.14163	5.8
221.15369	72.7
222.15756	3.3
233.08119	2.2
239.16412	69.5
240.16740	3.7
255.06279	2.4
272.06241	3.2
277.62149	1.7
307.10312	5.1
370.13638	2.0
506.80447	1.6
544.45111	2.0
580.24329	6.3
580.32709	7.6
581.22870	5.5
581.35565	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	580.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.8
56.67749	6.8
57.03434	15.6
67.05515	52.6
68.99701	34.0
69.00124	29.9
69.07095	17.9
70.06573	8.5
72.28633	7.1
79.05518	41.6
81.07069	90.9
81.44219	6.7
82.86682	7.1
83.08617	10.7
88.93979	7.6
91.05503	35.9
93.07049	30.5
95.08628	39.9
95.09164	6.6
96.85973	6.9
105.07054	42.2
107.08598	20.9
119.08553	34.1
121.10168	28.4
123.11731	25.7
133.10144	11.2
135.11702	12.2
147.11716	58.3
165.12785	31.1
221.93541	6.8
232.39394	7.8
267.15997	100.0
285.16989	50.3
290.23627	7.1
300.28891	14.9
335.25854	54.4
545.38159	39.6
580.52863	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63420	1.2
55.01876	6.4
57.03431	1.9
61.02932	3.4
61.52180	1.1
68.48248	1.1
68.99783	2.0
69.03419	1.9
69.59476	5.9
70.06241	1.9
70.06592	15.8
72.08143	3.8
81.03418	3.7
83.06122	1.5
84.04491	6.7
84.08141	4.5
85.02908	7.0
85.08438	1.3
86.09700	12.5
91.05474	2.2
91.56358	1.2
93.03416	2.2
95.04924	1.7
95.08609	1.4
97.02885	3.8
99.04438	2.3
103.03954	4.2
107.04951	5.0
109.02867	5.6
110.07165	8.5
113.55942	1.1
116.07093	2.7
119.00854	1.2
119.04953	2.7
119.08630	1.4
120.08137	3.3
121.02861	3.6
121.06513	1.8
127.03918	4.5
128.04279	1.9
129.10297	2.3
131.04889	2.2
135.04407	12.5
136.07567	2.3
137.02333	42.2
137.03352	2.0
143.04895	1.4
145.04985	2.4
147.04393	2.3
159.04436	3.7
161.02325	10.0
163.03882	3.8
163.06081	1.9
171.04398	2.2
171.07709	2.2
175.03957	3.4
176.01201	1.5
177.01833	6.5
177.05490	1.2
179.03401	4.4
183.04436	1.4
185.02333	1.2
185.06020	1.9
187.03995	2.8
189.01801	12.1
191.03380	6.3
193.04869	1.1
195.02898	10.0
197.13031	1.4
199.03922	3.2
201.01915	1.4
201.05495	2.1
203.03386	20.7
205.04996	4.0
207.02882	8.4
213.05460	2.6
215.03340	7.9
217.04991	9.5
219.02913	5.0
221.04466	4.8
221.11778	1.4
227.03430	3.3
229.04973	4.4
231.02904	2.8
233.04492	4.5
237.05482	1.4
240.13272	1.5
240.19566	2.7
241.05028	3.2
243.02898	5.5
245.04486	4.2
245.18623	1.2
255.02824	3.0
255.06453	1.5
257.04584	1.6
258.20688	3.5
261.03870	1.9
267.06595	2.1
269.04379	1.8
269.08145	1.5
271.05890	1.8
273.03955	3.3
279.06577	1.9
282.05206	1.4
283.05905	4.4
284.06851	4.3
285.07327	1.4
293.08170	1.5
295.06094	4.1
296.06793	2.2
297.04382	1.5
297.07498	6.5
299.05460	6.0
300.06018	1.4
307.06061	3.2
308.06754	4.2
309.07397	5.8
310.04675	18.3
310.07974	1.8
311.05460	83.7
312.05917	9.8
313.06998	7.1
320.07108	1.9
321.07526	5.0
322.08279	1.7
323.05478	51.1
323.08795	2.5
324.06207	17.2
325.07028	18.8
326.07663	1.9
329.06659	3.4
333.07666	6.8
335.05515	9.6
336.06244	8.9
337.02908	2.4
337.07010	50.4
338.07709	11.6
339.04947	3.3
339.08710	5.9
341.06537	55.7
342.06851	3.2
345.07608	3.7
347.05551	1.4
347.09290	1.3
349.07059	24.2
350.07611	6.8
351.05115	2.3
351.08655	24.5
351.43964	1.3
352.05774	4.5
353.06552	41.0
354.07050	3.0
355.08063	5.9
359.09518	1.4
360.06500	1.5
361.07050	21.4
362.07651	2.2
363.08640	7.6
364.05701	1.4
365.06506	55.5
366.06961	4.4
367.08102	20.3
368.08475	1.9
371.07596	8.7
375.08606	5.9
377.06464	31.0
377.10092	2.2
378.07135	2.3
379.08066	30.1
380.08563	3.0
383.07657	9.5
389.06421	16.0
389.10287	1.5
391.08209	12.7
395.07617	65.4
396.07993	5.3
401.08606	2.2
403.03360	1.8
403.08081	9.9
404.08215	1.7
405.09677	3.2
407.07571	59.6
408.08139	5.9
409.09445	2.1
415.07980	2.3
417.09662	5.9
419.07608	14.8
421.09128	2.0
425.08640	77.0
426.08951	6.9
431.07587	13.1
432.07578	1.3
433.09161	2.9
437.08774	8.5
443.09741	92.6
444.10052	9.6
445.09198	1.9
449.08664	24.8
450.08902	1.6
455.09680	9.2
461.08795	8.0
467.09534	1.5
473.10779	13.2
479.09790	9.7
491.10562	12.9
497.10745	36.5
497.17978	1.8
498.11200	4.1
509.10834	18.9
510.10846	2.5
515.11749	21.2
516.12109	1.9
527.11847	100.0
528.12189	10.0
545.12891	40.1
546.13086	4.0
563.13873	12.9
564.14276	2.3
580.30963	1.6
581.38361	1.6
582.30975	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	581.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44228	2.3
53.03952	6.9
54.77373	2.2
55.05510	7.2
57.07091	3.5
58.71661	2.4
62.29225	2.6
67.05505	43.1
69.03428	13.2
69.07064	12.3
69.44713	6.4
69.45121	9.8
70.06591	6.0
71.04995	4.9
71.08615	3.5
72.04516	6.4
79.05499	29.6
81.03413	37.0
81.07053	62.9
81.07526	3.8
83.04980	3.4
83.08620	8.3
84.04501	2.9
85.02905	9.3
85.06519	2.6
89.21267	2.2
91.05465	16.8
93.07037	43.5
94.07381	2.6
95.04991	2.9
95.08598	13.2
97.02901	11.1
97.06559	7.5
99.04483	6.5
105.07029	7.4
107.08597	34.4
108.04508	4.6
109.02869	12.0
109.10143	5.2
110.07175	3.1
111.08125	4.6
112.07614	4.6
113.15122	2.2
117.07025	11.6
119.08558	3.3
121.06508	2.5
121.10159	12.2
123.11705	14.7
126.05564	4.8
127.03941	14.2
131.08597	8.4
133.10141	15.9
135.04446	5.0
135.11710	10.8
145.04874	4.4
145.10118	3.6
149.13260	31.6
158.09770	2.4
159.11702	18.0
163.03903	16.0
177.12741	12.6
186.12727	2.9
195.13814	56.0
204.13872	10.2
213.14810	12.0
222.14917	17.9
240.15927	100.0
241.16257	4.3
246.14890	6.9
267.52951	2.9
339.18225	4.7
348.18124	14.9
366.19101	38.5
384.20151	29.4
493.46582	2.9
581.27380	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	581.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
54.03456	2.7
54.04195	2.5
55.01870	8.7
55.05511	51.9
57.07073	8.5
59.05014	4.4
65.03938	7.0
67.05503	34.8
69.01878	14.1
69.02299	12.9
69.03432	16.7
69.07079	18.9
71.04995	8.0
79.05494	28.8
81.07062	28.6
83.04984	27.8
83.08622	65.4
84.08946	2.8
85.06555	8.4
87.04455	3.9
91.05484	50.3
93.07040	46.1
95.04993	13.7
95.08607	47.3
97.06537	55.3
105.07033	78.3
107.07870	4.2
107.08594	74.6
109.06544	7.3
109.10143	24.7
111.08087	9.7
112.82995	2.8
113.09652	29.3
115.05444	8.3
117.07027	14.7
119.04984	3.4
119.08582	74.1
121.06503	5.4
121.10140	35.8
123.08064	16.2
123.11736	4.2
125.09618	23.9
128.06248	19.8
129.07018	22.3
130.07771	8.6
131.08575	36.7
133.10129	40.2
135.08076	2.9
135.11702	12.5
137.09625	8.9
139.11168	30.4
141.07001	12.4
142.07779	27.0
143.08565	48.0
144.09346	10.7
145.06483	3.5
145.10127	52.2
146.23308	3.0
147.11716	12.2
149.09631	13.8
153.07031	8.5
153.12798	10.4
154.07787	5.5
155.08580	25.0
155.10640	19.8
156.09352	27.4
157.10127	72.2
158.10756	7.6
159.08076	7.7
159.11707	18.2
161.09613	6.8
165.07001	9.6
166.07825	5.9
167.08597	17.7
167.10732	6.5
168.09369	10.8
169.10126	41.1
170.10913	15.8
171.11705	37.7
172.12193	3.2
173.09610	5.4
173.13225	27.2
175.14948	4.8
179.08560	29.0
179.14352	4.8
180.09290	12.1
181.10188	19.0
181.12224	27.4
182.10919	11.7
183.11702	36.3
184.12447	5.0
185.13243	21.9
187.11163	3.3
187.14812	4.0
191.08641	4.5
191.14317	10.1
192.09361	8.2
193.10117	24.2
194.10884	21.2
195.11729	33.2
195.13817	13.1
196.12477	9.1
196.14291	3.0
197.09383	3.2
197.13277	22.7
198.13875	4.3
199.14842	25.7
203.08539	6.1
205.10178	10.3
206.10950	13.1
207.11688	29.3
208.12447	15.3
209.13274	37.2
210.13857	5.0
211.14755	15.9
217.10201	6.4
217.15907	13.5
219.11771	12.8
220.12503	9.7
221.13269	24.8
221.15413	17.2
222.13971	6.7
223.14771	18.7
224.15596	4.0
225.16396	7.2
227.14349	6.7
229.10179	5.1
230.10934	7.6
231.11771	11.3
232.12511	9.2
233.13200	16.0
234.14096	9.0
235.14783	29.7
236.15518	3.7
237.12685	3.6
237.16405	10.8
239.17897	4.2
243.11696	6.6
244.12560	9.0
245.13275	11.0
245.15500	3.8
246.14058	8.5
247.14851	16.4
247.17090	4.9
248.15526	4.7
249.16302	14.4
250.17123	4.0
251.14403	3.7
251.17964	11.0
255.17435	3.6
257.13318	6.2
257.19073	4.1
258.14178	7.1
259.14737	14.7
260.15625	6.9
261.16394	12.1
263.17999	14.4
265.19592	8.1
269.13190	4.8
269.19070	4.7
270.14066	4.6
271.14810	9.6
272.15433	4.4
273.16440	9.9
274.17111	6.7
275.17966	11.3
277.19537	5.1
281.19049	6.6
283.14935	5.1
283.20615	18.7
285.18735	14.3
287.17853	5.7
289.19562	12.2
297.16272	4.9
299.20517	17.8
301.19501	3.8
311.20410	6.2
313.19516	4.8
315.20947	5.4
325.19421	5.2
329.22684	5.5
335.23868	3.3
339.21054	5.4
353.26489	5.6
355.23917	4.5
359.23810	3.4
364.24136	5.6
373.25150	3.4
383.25638	11.4
395.27325	8.9
413.28448	9.6
489.34305	3.4
523.35577	6.3
563.39087	14.4
581.30518	4.7
581.39844	100.0
582.40063	11.9
601.14703	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.9
53.03930	2.2
55.01873	4.9
55.05511	25.9
59.05004	2.2
60.57924	1.8
65.03944	3.1
67.05503	20.2
69.03434	11.9
69.07076	11.1
69.18431	16.4
71.04999	5.7
79.05497	17.6
81.07049	20.7
83.04984	13.9
83.08620	29.4
85.06569	4.9
87.04465	2.5
91.05486	29.3
93.07046	32.7
95.04959	11.8
95.08610	32.7
97.06538	41.8
103.05474	2.6
105.07029	43.9
107.08598	42.7
109.06538	2.4
109.10167	13.5
111.08085	5.5
113.09645	19.1
115.05441	3.5
117.07058	9.0
119.08575	46.5
121.06537	7.1
121.10158	26.5
123.08051	7.7
123.11711	2.4
125.09624	10.8
128.06219	10.9
129.07004	20.5
130.07806	4.6
131.08572	24.3
133.10139	19.9
135.11676	7.5
137.09637	7.9
139.11169	21.8
139.69952	2.1
141.07039	8.0
142.07773	19.7
143.08562	39.8
144.09326	21.0
145.06479	2.0
145.10120	35.1
147.08046	3.2
147.11679	9.5
152.06235	2.9
153.07018	5.8
153.12738	7.3
155.08606	16.2
155.10634	15.5
156.09349	14.6
157.10126	53.9
159.08041	3.7
159.11710	16.8
161.09633	3.9
161.13310	4.4
163.11287	2.4
163.81432	2.2
165.07042	9.0
166.07785	4.3
167.08586	11.9
168.09348	6.5
169.10109	28.3
170.10869	7.0
171.08063	3.4
171.11676	29.2
172.12512	2.4
173.09618	4.3
173.13274	12.4
175.11220	3.4
175.14978	3.0
179.08557	17.3
179.14323	6.2
180.09375	6.6
181.10155	24.2
181.12267	27.2
182.10948	9.2
183.11705	26.9
184.12463	3.0
185.09608	3.6
185.13237	18.1
187.11311	3.3
187.14787	4.3
189.12782	3.6
191.14308	2.2
192.09407	6.0
193.10121	15.9
194.10896	11.7
195.11734	29.2
195.13828	5.9
196.12463	7.5
197.13216	17.0
199.11258	2.6
199.14879	8.1
204.09451	3.5
205.10172	5.3
205.15950	4.0
206.10938	5.8
207.11684	19.2
208.12518	6.7
209.13293	30.6
210.14075	4.3
211.14783	15.7
216.81552	2.5
217.10187	3.0
217.15929	4.4
219.11731	7.5
220.12457	6.8
221.13269	17.9
221.15434	10.3
222.14027	4.9
223.14830	13.2
225.16479	7.1
227.14282	3.1
229.10272	2.5
229.15865	4.1
231.11745	6.7
232.12471	5.0
233.13309	11.3
233.15443	3.9
234.14026	4.9
235.14812	12.1
235.16867	2.1
236.15611	7.0
237.16393	9.4
239.14316	2.8
241.15875	2.5
243.11768	3.7
244.12445	2.9
245.13307	8.4
245.15515	4.1
246.13969	2.1
247.14793	9.1
247.17050	12.1
248.15660	3.1
249.16418	6.2
251.17931	19.4
253.15935	2.7
253.19437	2.8
255.17482	3.2
257.13303	4.7
257.18970	2.7
258.14127	3.0
259.14835	5.9
260.15631	3.1
261.16452	8.4
263.18115	6.7
265.19592	2.8
267.17462	2.6
269.19028	25.1
271.14874	3.6
273.16159	3.7
275.17923	4.8
277.19516	5.9
279.17276	2.2
281.13269	2.9
281.18945	4.3
283.15033	2.8
283.20581	6.0
285.18674	5.9
286.17224	2.2
289.19473	4.6
293.19034	2.4
295.20508	3.6
299.20334	11.0
301.19455	3.9
305.19055	2.2
307.20633	2.8
311.20447	10.9
312.20865	14.4
313.21918	2.6
315.21194	2.2
317.22852	3.1
321.22214	3.0
325.19299	2.6
329.14334	2.0
329.22607	2.6
333.22260	2.6
335.23709	5.8
339.21112	3.3
347.23645	2.7
351.21454	2.3
355.24084	3.5
373.25342	6.5
383.25571	3.8
395.27420	4.0
413.28564	12.6
505.34991	3.4
523.35181	2.1
563.38776	18.7
564.38812	3.2
581.30676	4.8
581.39868	100.0
582.40051	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	582.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43660	1.3
58.29877	1.4
66.57522	1.4
69.19272	2.3
69.19684	9.1
70.06600	3.9
79.05491	2.9
84.08157	1.6
85.02905	8.4
91.05501	2.8
95.04990	3.2
97.02903	2.0
97.84695	1.4
106.04219	1.6
107.04936	2.4
110.07152	1.7
113.09077	1.4
115.05456	2.1
123.04434	6.5
124.05215	2.1
131.04935	1.5
132.96194	1.5
137.05989	3.0
140.04797	1.4
145.04959	1.5
145.06461	2.4
147.08054	1.6
151.03867	2.0
153.05508	3.1
155.06944	1.6
160.05231	1.5
161.06006	1.7
167.07047	100.0
168.07365	1.8
173.06006	6.4
175.07573	2.3
177.05563	2.0
180.08675	2.0
189.05403	2.0
191.07082	3.8
201.05431	9.1
203.07072	3.7
207.06477	2.7
207.08173	3.3
213.05553	3.4
219.06570	5.9
231.06514	8.1
235.07611	5.0
246.84027	1.6
250.06288	1.5
251.07211	1.8
252.07884	3.4
263.07047	6.7
267.10168	3.7
278.09308	1.6
280.07217	3.5
291.06625	1.8
295.09729	4.9
297.07535	2.1
308.06937	1.7
313.10645	2.4
323.09290	5.0
327.12262	2.0
337.10617	4.4
340.09488	4.1
341.09982	2.7
353.10205	4.0
355.11792	32.6
358.10321	3.6
367.12006	2.0
373.12769	34.0
374.13324	2.5
385.12674	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	582.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44474	2.8
53.03953	3.6
55.01880	3.4
55.05515	16.4
55.79121	3.0
57.03439	7.8
57.07081	3.0
64.64081	3.0
67.05507	53.8
67.05843	4.8
69.05581	16.5
69.05988	6.9
69.07063	24.7
79.05481	24.6
81.07056	98.9
81.07528	5.5
83.05000	7.5
83.08631	12.9
85.06562	5.3
91.05474	23.0
93.07049	15.2
95.04994	5.2
95.08607	39.8
97.06517	7.1
97.10159	4.2
99.08086	5.9
105.07025	35.0
107.08599	14.2
109.10197	8.8
111.08086	3.4
119.08585	28.2
121.10120	14.1
123.08067	5.0
123.11730	25.5
136.91116	2.5
137.26700	3.0
147.11681	56.7
157.10141	6.6
163.14795	5.1
165.12744	26.1
229.14342	4.2
245.22665	3.2
263.23810	5.3
267.15918	100.0
268.16278	5.2
285.16940	59.2
337.27359	49.0
338.27576	7.0
349.78970	3.4
358.79971	3.1
383.00146	3.4
391.79486	2.8
525.72235	3.1
547.39966	44.5
548.39771	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	583.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45243	6.3
60.70943	5.2
63.43837	5.6
65.03941	5.9
68.99786	7.8
70.06604	34.7
71.28481	7.5
85.02915	6.0
88.90497	5.4
97.02939	6.5
107.04942	11.8
119.04943	7.3
121.02863	100.0
135.04564	5.3
139.03877	7.0
151.03914	6.8
157.55136	5.6
163.03912	19.8
165.01877	5.8
166.06274	5.3
189.01869	6.4
205.05064	10.5
211.33513	6.0
217.04916	8.1
219.02936	10.7
229.05016	7.7
231.02914	11.0
249.04106	10.4
251.05699	5.9
259.06131	8.9
261.03836	11.6
295.06161	7.6
307.05945	6.9
327.04776	7.4
329.92978	6.1
333.06155	6.9
375.06961	8.9
379.08365	7.5
383.22751	11.1
393.08096	16.5
397.09445	6.4
409.09213	7.5
411.09235	12.8
427.10641	9.5
433.09097	7.5
467.16510	5.9
485.62894	6.2
511.12616	8.3
583.19769	6.9
613.15082	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.5
55.05516	17.5
55.47211	3.1
57.07073	12.8
59.05008	4.2
65.03944	4.7
67.05503	27.5
69.03429	8.4
69.07064	22.0
71.05002	3.5
72.16624	2.2
72.52118	2.4
77.03922	3.6
79.05493	35.5
81.07050	42.2
83.04977	9.2
83.08618	11.8
85.06564	6.6
91.05479	56.9
93.07042	65.7
93.41702	2.4
95.04974	14.8
95.08611	36.1
97.06519	4.9
103.05493	3.6
105.03380	2.3
105.04535	2.2
105.07030	90.6
107.08595	50.5
109.06525	8.8
109.10144	23.4
111.08108	3.0
115.05474	9.3
117.07038	24.7
119.08576	100.0
121.06487	5.5
121.10150	56.2
123.08081	14.0
123.11713	9.7
125.06004	4.4
128.06230	16.7
129.06984	22.8
130.07799	9.8
131.08574	40.3
133.06528	5.1
133.10132	43.2
133.11067	4.8
135.08076	10.4
135.11699	12.7
137.09631	11.1
139.11205	4.3
141.06970	14.0
142.07773	32.5
143.08545	54.6
144.09375	12.2
145.10115	57.8
147.08075	15.5
147.11719	17.1
149.09625	7.1
149.13307	3.9
151.07573	11.7
151.11214	3.0
153.06990	8.8
154.07689	2.7
155.08553	25.4
156.09325	17.7
157.10138	67.2
157.99368	3.1
158.10876	12.5
159.08038	7.3
159.11685	30.6
161.09604	6.8
161.13312	9.9
163.11195	6.7
165.07018	10.8
165.09123	27.6
167.08582	12.9
167.10687	15.5
168.09302	12.5
169.10133	39.1
170.10912	13.1
171.11700	39.7
172.12312	2.6
173.09604	2.9
173.13251	33.6
175.11140	6.4
175.14832	8.5
178.07816	2.7
179.08554	22.6
180.09315	7.4
181.10101	20.8
181.12256	6.5
182.10869	13.6
183.11696	38.7
184.12399	8.7
185.13255	21.5
187.11252	3.3
187.14835	7.4
189.12648	6.5
191.14302	11.5
192.09389	5.1
193.10147	17.7
194.10921	19.3
195.11676	29.5
196.12425	9.7
197.13257	24.9
198.13980	3.4
199.14827	21.8
201.12643	3.0
203.08627	3.7
203.14378	11.4
204.09296	2.6
205.10173	7.1
205.15836	2.6
206.10918	9.2
207.11688	26.7
207.13843	8.1
208.12390	9.4
209.13264	41.1
209.15239	3.9
210.13947	6.7
211.14850	15.2
213.12869	3.3
213.16405	3.9
215.14340	3.9
216.09242	2.8
217.10077	7.6
217.15805	14.4
218.10883	5.3
219.11705	11.3
220.12416	9.5
221.13260	20.4
221.15408	57.8
222.13995	6.6
223.14851	19.7
224.15631	4.9
225.16415	6.7
230.10938	4.0
231.11691	7.8
232.12463	4.4
233.13260	17.5
233.15431	6.0
234.14122	5.9
235.14792	15.8
237.16408	9.9
239.17963	4.0
245.13339	11.6
246.14067	5.7
247.14735	15.3
248.15367	3.5
249.16359	12.0
250.16853	2.7
251.17969	6.1
257.13190	3.5
257.19034	10.3
258.14114	4.7
259.14856	9.0
260.15561	4.6
261.16354	17.7
263.18015	9.1
265.19543	10.2
269.19070	4.8
273.16428	7.8
275.17892	16.9
278.52032	2.7
283.14694	3.8
283.20590	20.3
287.17838	3.7
289.19534	4.2
291.21051	3.3
295.20569	5.3
300.21054	3.8
301.19174	4.4
331.24307	6.4
333.21988	3.3
345.22092	4.6
349.25333	8.6
375.26749	5.3
403.29846	5.3
491.35107	6.8
500.84125	2.5
547.39221	4.4
565.40637	15.2
583.32867	2.4
583.41333	72.1
584.41492	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05516	6.7
55.73155	1.0
57.07074	7.9
59.05008	3.2
64.35172	0.9
65.03957	1.7
66.08540	0.8
67.05502	15.5
67.40803	0.9
69.03427	6.9
69.07073	7.6
70.45892	2.8
77.03942	1.6
79.05490	9.6
80.20668	0.8
80.71327	1.0
81.07055	16.8
83.04979	3.3
83.08620	2.8
85.06558	3.4
91.05479	20.9
93.07043	30.9
93.09618	1.0
94.49380	1.0
95.04951	4.8
95.08606	27.8
97.06551	2.0
103.05515	2.0
105.07030	40.7
107.04971	1.2
107.08596	17.1
109.06541	3.0
109.10142	9.2
111.08117	1.9
115.05460	2.3
117.07032	6.1
119.08579	33.6
121.06535	4.5
121.10145	24.1
123.08073	21.2
123.11743	3.5
125.05961	1.5
128.06216	5.2
129.06987	5.6
130.07813	2.5
131.08568	12.8
133.06554	2.4
133.10132	18.5
135.08057	7.6
135.11699	5.2
137.06007	1.5
137.09625	7.7
139.11218	1.9
141.07045	3.1
142.07780	10.4
143.08585	16.7
144.09344	3.3
145.10126	22.4
147.08058	15.9
147.11684	6.7
149.09656	4.0
151.07544	22.0
153.06989	1.7
153.09155	1.7
154.07808	1.6
155.08524	7.3
156.09369	8.1
157.10127	30.9
158.10880	4.2
159.08066	2.7
159.11685	15.2
161.09625	5.2
161.13249	5.8
163.11214	4.2
165.06979	3.4
165.09117	37.7
166.07730	1.0
166.09444	1.3
167.08592	5.2
168.09398	4.2
168.10664	1.0
169.10121	12.0
170.10956	4.2
171.11688	18.8
173.09694	2.2
173.13275	8.9
174.10425	1.2
175.11247	2.3
175.14867	2.7
177.09117	1.7
177.12724	1.5
179.08551	6.1
180.09399	3.5
181.10127	8.7
181.12308	2.4
182.10948	4.0
183.11697	15.4
184.12503	1.6
185.13261	14.3
187.11261	2.1
187.14874	3.2
189.12701	6.8
191.14345	2.0
193.10146	6.9
193.11885	1.3
194.10947	3.9
195.11691	9.8
195.13467	1.2
196.12550	3.7
197.13251	12.7
199.14830	3.8
201.12782	1.8
201.16414	1.3
203.14304	17.0
204.14841	1.6
205.10228	1.5
206.11008	3.2
207.11748	8.5
207.13879	8.7
208.12494	3.3
209.13316	12.4
210.13965	2.9
211.11348	1.3
211.14793	7.1
212.15561	1.9
213.12813	2.1
213.16385	2.2
217.10269	1.2
219.11661	3.9
219.17557	3.1
220.12573	3.8
221.13326	8.7
221.15341	71.2
222.13963	2.2
222.15857	1.2
223.14818	8.9
224.15671	1.8
225.12596	1.1
225.16441	4.5
227.14339	1.4
229.16046	1.4
231.11673	3.3
231.13826	1.2
231.17480	3.5
232.12386	1.3
233.13341	4.5
234.13972	1.8
235.14897	6.6
236.15665	1.2
237.12810	1.2
237.16447	4.3
239.18031	3.4
241.19565	1.4
244.12500	1.6
245.13312	3.5
246.13992	1.0
247.14897	4.4
247.17078	2.4
248.15729	1.5
249.16400	6.1
251.18033	2.8
253.19637	3.1
257.19064	2.4
259.14963	2.3
260.15622	1.3
261.16364	2.2
262.17081	1.3
263.18036	3.5
265.19653	3.3
269.19067	2.1
271.20596	3.5
272.15738	1.2
273.16348	1.8
275.17865	2.4
277.19577	3.1
279.21060	3.7
283.20612	5.5
285.16388	1.1
287.17459	1.7
287.20105	3.1
289.19647	1.5
295.20572	5.2
297.22073	5.4
299.20187	1.3
303.21371	1.2
309.22000	1.4
329.22668	1.4
331.24243	1.2
347.23779	1.4
348.24472	1.6
349.25281	1.8
352.24002	3.1
357.25977	3.0
365.25012	3.5
375.26855	7.7
385.28940	1.3
403.29919	16.4
437.30972	1.3
503.35153	5.6
509.33994	4.3
547.39355	2.6
565.40399	34.8
566.40674	3.5
583.41486	100.0
584.41858	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.5
55.05510	22.8
57.07084	10.1
57.96008	3.0
58.75466	3.6
59.04998	3.9
62.10156	3.3
65.03947	6.7
67.05513	36.2
69.03449	9.1
69.07069	27.7
79.05499	41.3
81.07059	44.6
83.04993	9.9
83.08633	14.6
85.06562	7.9
91.05481	62.3
93.07050	80.1
93.72173	2.7
94.07360	3.7
95.04952	16.5
95.08604	45.3
97.06536	6.7
103.05492	8.7
105.04593	4.1
105.07034	91.3
107.08600	62.2
108.08962	3.8
109.06539	10.7
109.10149	26.6
111.08067	4.0
114.09985	3.1
115.05502	7.8
116.06272	3.9
117.07043	25.6
119.08585	100.0
120.08923	4.4
121.06544	4.6
121.10133	81.1
123.08063	15.6
123.11724	7.3
128.06236	17.8
129.07036	22.3
130.07805	10.1
131.08572	47.2
133.10138	48.3
135.08105	8.5
135.11690	19.0
137.09702	11.1
139.11221	6.9
141.07043	14.4
142.07785	32.2
143.08569	57.9
144.09373	9.2
145.06502	3.6
145.10127	73.3
147.08093	13.2
147.11694	24.1
149.09660	13.6
149.13292	5.9
151.07626	6.2
153.07043	9.1
155.08582	25.3
156.09396	20.2
156.10973	2.9
157.10143	67.1
158.10846	9.0
159.08095	6.0
159.11685	34.6
161.09674	8.3
161.13306	8.4
163.11275	9.7
163.14757	4.6
165.07050	9.9
165.09091	20.3
166.07780	4.7
167.08601	15.0
167.10675	54.1
168.09401	10.6
169.10155	36.2
170.10861	10.6
171.11691	34.8
171.12903	3.6
172.12251	3.3
173.09705	6.9
173.13300	32.1
175.11215	5.2
175.14905	11.2
179.08548	17.3
180.09334	7.0
181.10187	21.8
181.12294	5.9
182.10939	10.9
183.11702	33.7
184.12466	4.0
185.13310	14.1
187.11243	3.7
187.14888	9.7
189.12808	4.9
191.14371	10.5
192.09352	5.8
193.10179	17.8
194.10892	15.1
195.11667	25.7
196.12433	7.3
197.13252	22.8
199.11311	3.7
199.14803	19.6
201.12799	3.6
201.16548	4.3
203.14397	10.1
205.15955	3.6
206.10938	9.7
207.11768	25.9
207.13574	4.1
208.12491	7.8
209.13248	31.4
211.11354	3.5
211.14893	14.3
213.16449	4.2
215.14362	7.6
217.10207	5.1
217.15907	10.3
219.11746	11.6
220.12491	11.9
221.13300	20.2
221.15459	39.0
222.13829	6.5
223.14896	14.3
225.16579	6.0
229.15768	3.2
231.11734	8.3
231.17462	5.2
232.12538	7.4
233.13283	13.8
233.15451	17.7
234.13907	6.9
235.14876	16.3
237.16365	7.6
239.17986	4.6
243.17352	4.7
244.12692	3.9
245.13266	9.5
246.14043	6.3
247.14822	10.5
247.17116	5.2
249.16451	8.8
251.18024	8.4
257.13315	5.8
257.19052	7.2
259.14746	7.1
260.15424	8.0
261.16461	11.0
263.18011	5.5
265.19681	8.5
271.14832	4.3
273.16418	7.3
275.17947	7.6
277.19489	3.3
283.20581	14.7
285.18668	4.6
285.22372	3.2
313.21649	3.8
331.23972	4.0
335.23868	3.2
349.25354	7.1
361.25388	3.4
491.34558	5.8
565.40430	21.9
583.41388	83.1
584.41498	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.9
55.05515	18.5
57.07080	15.3
59.04987	4.9
59.67630	2.5
60.18397	2.6
65.03951	5.5
67.05506	32.8
69.03433	10.5
69.07070	15.8
77.03941	2.8
79.05503	33.3
81.07063	38.1
83.04987	6.4
83.08633	11.1
85.06548	9.5
88.04892	2.7
91.05483	47.4
93.07050	68.1
93.07631	4.6
95.04972	15.4
95.08612	37.7
97.06501	5.6
103.05467	6.8
105.07037	82.2
107.08608	55.6
107.27625	2.4
108.01117	2.7
109.06533	9.7
109.10180	21.9
115.05492	5.4
117.07024	20.4
119.08587	93.8
121.06537	5.4
121.10149	53.3
123.08055	21.0
123.11726	7.8
125.05985	4.7
126.43768	2.4
128.06238	17.9
128.07082	2.9
129.06998	18.8
130.07799	8.1
131.08586	41.2
132.12643	2.7
133.06503	4.7
133.10126	42.9
135.08061	13.6
135.11729	13.8
137.09608	16.9
141.06992	8.1
142.07797	29.3
143.08572	50.4
144.09325	7.8
145.06537	3.2
145.10118	62.2
147.08055	22.3
147.11681	18.6
149.09653	7.9
149.13234	4.6
151.07564	25.6
153.07054	7.9
154.07768	4.3
155.08551	23.9
156.09355	18.7
157.10135	64.6
158.10905	9.7
159.08081	4.4
159.11705	34.6
161.09644	7.5
161.13292	7.1
163.11183	9.5
165.07025	8.1
165.09134	37.6
166.07814	4.5
167.08545	13.7
167.10721	12.0
168.09361	10.1
169.10152	33.1
170.10962	14.5
171.11688	34.4
172.12433	4.5
173.09760	5.1
173.13281	32.9
175.11252	7.5
175.14877	8.1
179.08527	21.0
180.09361	11.0
181.10176	17.9
181.12242	6.1
182.09532	2.6
182.10999	11.5
183.11734	31.3
184.12448	11.1
185.09665	3.6
185.13245	24.1
187.11234	4.0
187.14841	9.6
189.12849	7.8
191.14360	7.6
192.09370	9.9
193.10162	20.8
194.10941	11.2
195.11659	21.8
196.12425	5.2
197.13260	24.1
198.14085	3.2
199.14804	19.3
201.16417	3.9
203.14359	19.4
204.09583	3.4
205.10172	7.3
206.10944	9.1
207.11736	25.9
207.13866	7.4
208.12485	8.6
209.13309	35.3
209.15285	4.9
209.31972	3.1
210.14041	5.5
211.14764	12.9
213.12933	4.5
213.16443	4.9
215.14316	5.3
217.10208	4.5
217.15958	7.7
218.10793	3.3
219.11691	8.3
220.12563	9.8
221.13295	20.4
221.15427	61.7
222.13957	6.2
223.14830	22.1
225.16463	8.3
229.37857	3.4
231.11736	5.0
231.17398	3.1
232.12450	7.3
233.13275	13.6
233.15424	8.0
234.14120	4.4
235.14879	11.6
237.16562	8.1
239.17960	6.3
243.11821	4.8
243.17506	3.9
244.12543	3.5
245.13351	11.2
246.14037	6.4
247.14757	13.4
248.15610	5.5
249.16414	13.0
251.14520	3.7
251.17958	7.1
253.19621	3.0
255.17545	3.8
257.19073	10.1
259.14816	11.4
260.15567	7.8
261.16406	9.7
262.16837	3.3
263.18018	9.5
265.19498	7.6
269.18973	3.8
270.14087	2.7
270.81555	2.5
271.14761	3.5
273.16553	9.3
275.18015	11.9
277.19424	4.5
283.20523	15.5
285.18848	3.5
287.17728	4.7
287.20544	3.9
295.20453	4.4
297.22208	6.5
301.19168	3.7
307.20541	4.3
309.22159	3.6
317.22681	3.5
331.24408	4.2
349.25232	6.4
357.25803	3.6
375.27063	8.1
403.29956	4.5
503.35034	5.0
509.34229	4.3
565.40399	26.2
583.41486	100.0
584.41864	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.9
53.03941	5.0
55.05516	17.8
57.07073	10.6
59.04981	3.6
60.98213	2.9
65.03947	5.0
67.05505	29.2
69.03418	8.8
69.07075	26.4
69.14594	2.4
70.80293	2.8
70.80628	4.1
71.04971	3.0
79.05486	33.6
81.07059	45.7
83.04989	11.0
83.08614	9.3
85.06535	6.0
91.05481	56.6
93.07044	75.3
93.07633	4.5
94.07415	2.3
95.04979	15.7
95.08598	40.1
95.09156	2.8
97.06520	7.5
103.05477	7.4
105.04504	2.5
105.07028	96.8
106.07332	2.7
107.08591	62.3
107.75800	2.2
109.06494	11.1
109.10142	24.8
111.08099	2.4
111.11771	5.0
115.05444	9.4
117.07010	20.1
119.08578	100.0
121.06531	4.9
121.10140	71.7
123.08062	13.0
123.11710	8.6
125.06000	2.8
125.09624	4.2
128.06227	14.3
129.07002	21.2
130.07796	12.7
131.08557	40.6
133.06511	4.1
133.07593	3.5
133.10127	52.2
135.08069	9.2
135.11676	21.6
137.09613	12.4
139.11153	4.9
141.06995	15.2
142.07776	32.5
143.08574	47.7
144.09309	6.8
145.10117	59.6
147.08026	12.5
147.11705	20.0
149.09602	13.2
149.13287	5.1
151.07515	10.9
153.07011	5.6
154.07809	5.8
155.08546	23.9
156.09383	23.1
157.10130	65.1
158.10880	10.7
159.08087	5.9
159.11676	34.9
160.12251	2.8
161.09590	5.3
161.13260	9.7
163.11180	9.3
165.07004	10.0
165.09117	20.1
166.07755	5.3
167.08530	9.9
167.10678	60.2
168.09309	8.9
169.10118	37.8
170.10918	9.3
171.11690	39.4
172.12401	3.3
173.09665	4.8
173.13249	31.4
175.11110	5.8
175.14783	13.0
179.08516	18.2
180.09332	6.1
181.10112	22.3
181.12231	5.5
182.10962	12.7
183.11682	35.6
184.12483	7.5
185.09375	2.2
185.13243	20.6
187.11131	2.7
187.14870	8.9
189.12791	6.5
191.14333	7.6
192.09340	7.7
193.10112	19.5
193.46188	2.3
194.10797	13.8
195.11713	22.2
196.12473	6.8
197.13281	22.6
199.11343	3.0
199.14873	16.6
201.12735	2.4
201.16406	7.8
203.08559	3.6
203.14319	9.6
204.09271	4.4
205.10162	7.4
206.10944	8.7
207.11708	18.8
207.13588	5.4
208.12418	8.4
209.13222	33.0
210.13962	7.2
211.11230	2.6
211.14841	14.9
213.12669	2.6
213.16495	3.4
215.14339	5.9
217.10245	5.1
217.15800	12.6
218.10910	4.3
219.11754	11.6
220.12413	10.5
221.13246	19.0
221.15414	35.9
222.13995	5.8
223.11237	2.2
223.14786	17.0
224.15727	2.5
225.16408	8.7
227.14301	3.6
231.11725	9.8
232.12392	5.5
233.13226	12.7
233.15404	21.8
234.14046	6.7
235.14771	17.0
236.15547	2.8
237.16429	7.5
239.17947	5.6
243.11630	3.4
244.12529	3.9
245.13252	7.9
246.14095	7.8
247.14769	11.9
248.15538	2.8
249.16350	11.8
251.14404	2.3
251.17909	6.5
253.19450	3.3
257.13177	4.5
257.19083	8.9
258.14130	4.8
259.14825	10.6
260.15579	6.0
261.16241	10.4
263.17960	8.2
265.19565	7.4
267.17334	3.1
269.19031	4.2
271.14810	3.2
273.16333	5.1
275.17932	9.6
277.15930	2.2
277.19458	3.9
279.20972	2.4
281.19064	3.0
283.20642	9.4
285.16031	3.8
285.18762	2.5
287.17572	2.6
287.20380	5.3
289.19437	4.0
295.20685	3.4
299.17651	3.3
301.19342	5.2
303.21097	2.7
305.22589	2.9
307.20532	4.3
312.21002	2.7
315.20868	2.4
321.22195	3.5
331.24402	3.8
335.23706	3.1
349.25360	8.6
361.25320	4.3
375.26901	5.0
381.84750	2.4
491.35342	3.7
547.38654	3.7
565.40338	15.8
566.40546	3.2
583.41388	85.9
584.41785	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	584.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05522	0.7
56.05026	1.4
56.96534	0.6
57.07085	0.6
58.06606	1.0
58.99586	0.9
59.23163	0.5
60.04521	0.6
61.01154	1.1
67.05506	0.9
69.03423	1.2
69.27119	0.6
70.02939	0.8
70.06595	15.2
71.06120	8.5
71.28815	0.9
71.29168	0.6
72.04512	3.5
72.08171	3.0
73.02913	0.8
73.49701	0.5
74.00660	2.8
74.06078	1.0
76.02221	1.5
76.04002	2.3
77.00638	8.0
78.03793	3.9
81.07047	1.0
82.06588	0.6
83.06100	1.8
84.04507	7.5
84.08155	3.7
85.02898	1.6
85.04034	6.5
85.06527	1.3
86.00652	1.2
86.06074	2.6
86.09718	2.8
91.05505	0.8
92.01721	2.7
92.98335	4.1
93.04496	0.6
95.04974	1.1
95.06107	0.9
97.02882	0.8
98.06046	1.6
99.04462	0.7
99.05578	2.4
101.01732	0.7
101.07164	0.8
102.03760	3.6
102.05489	0.6
107.06055	1.4
107.99384	1.3
109.07632	3.3
110.00955	1.9
110.07168	7.3
112.03979	1.7
112.07605	0.7
113.01764	0.7
113.03481	2.4
113.06006	1.7
114.03734	1.5
115.08703	1.6
118.02398	1.3
118.03242	24.5
120.04795	3.5
120.08120	1.7
123.04443	0.6
124.07613	1.4
127.03917	0.7
127.75465	0.6
129.06621	2.1
129.10240	3.8
130.03246	7.9
130.04990	7.5
130.08687	1.0
131.02762	1.0
131.04521	12.5
131.06374	3.2
132.04787	2.4
134.00925	2.0
135.05524	0.6
136.03987	0.6
136.07610	1.1
137.06013	0.8
139.03239	1.7
140.01663	1.5
141.06616	1.0
141.10272	0.7
142.08656	4.7
143.04524	0.8
145.05043	0.6
145.06088	1.8
147.05870	44.6
149.07446	22.0
150.00478	1.0
153.06555	3.2
154.05046	0.6
155.06953	0.8
155.08133	5.7
157.06084	0.8
159.02258	2.2
159.05937	1.1
160.00656	1.2
162.40494	0.6
163.03905	2.4
164.01994	1.0
169.06116	0.5
169.13354	0.9
175.03914	0.9
176.01999	1.5
177.03305	22.2
179.03108	0.8
181.04643	6.9
181.06134	3.3
183.07748	0.7
183.11249	1.1
184.09677	2.5
185.03821	14.6
187.05348	1.2
188.02019	1.0
193.04738	0.7
197.04182	0.7
197.12962	0.9
199.07181	4.0
202.10718	1.0
205.04684	2.4
207.06523	1.7
209.00536	4.3
210.08585	0.6
211.07257	1.0
213.12401	1.5
222.07404	0.8
225.07687	0.9
231.04352	30.6
232.04648	0.9
239.06772	0.6
242.17679	0.8
254.06227	4.0
257.07690	1.8
259.11200	1.2
260.11725	1.4
261.12640	0.9
268.07819	2.2
274.08496	1.3
277.12418	0.7
285.10080	0.6
286.17676	0.9
286.35468	0.7
288.06531	5.3
289.10678	2.4
293.09958	2.8
296.07211	1.6
307.09006	2.2
308.07321	2.2
325.09995	100.0
326.10172	4.5
341.10416	1.3
369.09641	1.2
379.10953	6.0
391.11096	2.0
404.22931	0.7
436.13242	9.3
437.15256	10.1
454.14221	16.5
455.14822	1.1
509.17709	1.6
548.18475	1.4
566.19562	8.6
566.27753	0.9
584.20538	1.8
584.28796	2.4
584.81042	0.7
585.21460	6.1
614.21307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20206	2.2
69.40421	4.1
69.40823	9.7
70.06596	36.7
84.04514	15.9
84.08133	3.9
85.02908	5.9
86.09698	12.3
88.04031	4.1
91.05500	3.9
101.07159	15.2
103.05507	3.1
105.07037	11.3
107.04936	3.6
109.06493	2.7
123.04405	7.0
124.05228	3.4
129.07042	3.8
133.06522	12.7
137.05952	3.8
141.10237	3.3
152.04613	2.6
155.04909	9.0
156.10214	2.9
161.05977	9.2
163.07556	5.1
163.74530	2.4
167.07039	100.0
171.10007	2.4
172.05190	6.2
181.04964	16.5
183.04445	8.5
187.07568	6.8
189.05466	8.0
189.09106	3.3
192.55937	2.4
193.08594	36.1
195.59280	2.5
200.04657	11.6
201.12352	15.3
205.08536	2.8
207.06540	35.4
208.06883	2.9
215.07040	39.9
216.07202	2.9
229.11818	4.3
229.15500	18.2
231.08176	3.1
233.08076	11.4
259.07559	6.2
262.06168	3.9
276.07846	6.3
277.08435	4.5
287.07031	6.0
290.05731	7.4
290.09036	3.3
291.10040	5.9
305.08041	11.0
309.11105	3.3
319.09723	12.3
336.10007	5.8
337.10715	13.5
351.12262	49.2
352.12527	5.4
369.13318	96.1
370.13666	6.2
387.14371	5.5
542.09705	2.8
581.19629	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	584.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05504	3.9
66.21418	1.5
67.05507	6.1
69.03439	7.6
69.07058	2.1
69.59068	6.5
70.06596	9.2
71.05009	2.8
72.08144	1.5
75.82330	1.7
78.57421	1.4
79.05491	14.6
81.07052	7.9
83.04988	4.5
84.41935	1.8
85.02918	10.5
86.09708	3.7
91.05494	4.5
93.07020	2.9
95.04972	4.6
95.08587	2.2
97.02891	2.9
97.06532	5.4
98.22701	1.9
99.04451	5.6
105.07024	6.0
107.04963	16.2
109.06525	3.8
109.10165	24.8
111.04433	3.6
119.08601	9.4
121.06496	3.1
125.06031	3.7
127.03933	3.6
128.06134	1.8
129.07013	4.1
133.10155	10.0
135.08041	2.4
137.09615	48.9
143.07036	1.6
143.08546	12.6
145.04985	3.4
145.10164	2.7
146.07265	1.7
147.08041	22.2
148.16605	1.6
151.11255	1.6
152.96950	1.9
159.08011	2.3
161.09621	91.3
162.09964	2.4
163.11150	2.5
165.09123	82.4
179.10695	8.4
188.35432	1.9
189.09114	11.9
197.11760	4.5
207.10165	100.0
208.10445	3.5
225.11221	77.0
226.11760	1.9
226.15594	1.7
230.30069	1.9
243.12221	6.3
325.11270	1.8
376.09964	1.7
585.19940	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	584.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32274	2.8
52.59888	2.8
55.05498	6.7
56.19578	2.9
57.07050	5.1
61.87489	3.4
61.93146	3.1
67.05492	3.7
69.07082	14.4
70.06583	9.4
72.08167	8.0
79.05486	9.6
81.07063	10.8
83.04967	3.0
83.08618	9.2
84.08180	3.5
85.02911	9.4
86.09684	8.0
86.77721	2.8
91.05469	9.3
93.07041	8.3
95.08622	14.2
97.02896	3.0
97.10159	10.8
98.22558	6.5
102.25311	3.5
105.07032	9.8
107.08586	8.4
109.02946	3.6
109.10155	4.5
110.52288	3.1
111.04442	2.6
111.28544	3.1
116.58986	2.9
119.08586	7.1
121.10194	5.0
123.04428	5.8
123.07993	5.1
123.11720	4.4
133.10161	7.9
137.05952	6.4
137.13229	3.2
147.11711	5.6
149.09639	3.7
151.03865	3.0
151.07552	5.1
157.57204	3.5
161.09561	2.8
161.13318	3.5
165.05444	3.9
165.09160	5.5
177.09048	3.3
179.06967	4.1
179.10678	3.9
184.07278	3.4
217.19572	6.8
229.31839	3.9
235.20517	5.0
245.18990	5.9
258.06982	3.2
259.20609	7.5
263.20068	35.9
277.21576	15.3
281.21057	3.7
287.20026	6.3
295.22559	4.1
305.21094	34.1
323.22153	100.0
324.22549	6.8
341.23279	52.5
342.23779	4.9
351.21594	5.0
387.23804	4.9
584.27301	6.9
585.18970	21.6
585.28558	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01293	6.1
55.05514	19.9
57.03444	15.9
57.07086	8.9
67.05527	37.3
69.07085	37.4
70.06610	10.9
79.05505	22.9
81.07069	92.1
83.04983	6.7
83.08620	21.3
89.06034	25.3
90.88591	6.5
90.90351	7.7
91.05500	19.9
93.07057	23.8
95.08626	46.1
97.06503	13.2
97.10207	7.4
98.22582	18.7
105.07046	30.4
107.08607	13.0
119.08605	21.8
121.10165	27.5
123.11727	30.3
133.08606	17.6
135.11722	8.2
147.11707	68.0
165.12769	34.9
177.11285	6.8
246.75583	6.3
267.15976	100.0
285.16943	42.1
311.29459	10.9
328.38629	6.7
339.28970	53.1
549.41418	39.3
581.60699	7.3
584.56049	15.4
612.74170	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	584.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.9
56.12754	0.7
57.07077	35.9
57.62503	0.7
59.04992	0.9
61.77235	0.6
67.05499	2.8
69.07053	5.0
70.06583	1.3
71.08634	30.1
73.06550	7.1
79.05482	1.9
81.07050	2.9
83.08636	3.5
85.10184	17.9
87.04472	5.4
89.06032	100.0
90.06351	1.1
91.05482	3.0
91.07577	1.7
93.07045	3.0
95.04932	1.2
95.08617	3.0
97.10175	4.1
99.11737	2.2
105.07048	3.8
107.07074	3.2
107.08604	2.0
109.10180	1.2
111.11723	2.0
113.13297	1.7
117.09124	5.5
119.08569	2.8
120.08974	0.9
121.10159	1.8
123.08047	1.1
125.13318	0.8
127.14822	1.9
130.08638	1.6
131.07048	1.0
131.08647	1.2
133.08607	49.3
133.10202	2.0
134.08923	1.0
135.07956	0.6
135.10237	1.3
135.11697	1.1
137.05962	0.8
141.16342	1.4
143.08592	1.1
145.10147	2.2
147.08005	0.8
157.10103	1.8
159.11685	1.5
161.11726	1.2
167.08612	0.6
169.10107	1.1
177.11237	18.9
181.10037	0.7
183.11725	0.8
185.13243	0.8
195.11644	0.9
197.22690	2.4
209.13344	0.9
210.13704	0.8
221.13843	2.3
221.15646	1.1
222.15797	1.3
229.29623	0.8
233.13333	0.9
239.14967	1.0
241.25369	1.9
249.10983	2.2
250.11331	1.2
256.26294	1.1
265.16507	0.9
283.17532	1.4
285.27896	3.9
300.28922	1.3
311.29440	1.8
327.20123	1.6
329.30569	2.6
371.22876	6.0
372.23114	0.9
428.37589	0.8
492.35257	2.2
567.44415	4.5
583.32520	1.1
584.35291	8.3
584.55939	8.3
585.37274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90748	0.2
59.79390	0.3
63.14238	0.2
69.06872	2.1
69.97431	0.3
70.06593	2.7
72.08154	0.8
79.77479	0.3
83.30715	0.3
84.04510	0.5
84.08148	0.5
85.02917	0.4
85.29189	0.3
86.09720	2.3
88.42297	0.3
91.05468	0.3
102.35635	0.3
103.05492	0.3
120.08117	0.8
125.02161	0.5
125.03922	0.3
129.10252	0.6
138.09637	0.2
139.03708	0.5
139.24226	0.2
140.04477	1.0
141.05232	1.5
159.09232	0.6
163.07291	0.6
169.04720	4.5
185.04216	6.2
223.06842	0.3
227.05238	1.9
241.06920	1.1
244.05652	0.4
245.06485	0.4
248.10356	0.3
249.10988	0.7
255.08499	0.5
261.11029	1.1
263.12659	0.6
267.08441	1.4
271.08041	0.3
279.11920	1.7
283.07968	0.3
285.09384	1.8
287.07495	0.6
301.08987	0.7
311.07523	0.4
313.08997	1.1
327.10361	0.4
329.08374	2.6
330.09082	0.6
345.08011	2.5
347.09409	3.2
359.09265	0.4
389.09741	0.3
413.17966	0.5
423.16577	0.3
441.17325	6.6
442.17679	0.3
483.18402	1.8
495.21957	1.7
497.20419	0.5
505.20319	0.4
523.21558	14.7
524.21729	1.4
525.19373	6.5
526.19653	0.8
535.22217	0.3
541.22803	0.6
553.22437	1.8
557.22034	0.8
567.20392	1.8
585.21515	100.0
586.21820	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	585.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92269	0.3
57.35384	0.3
59.16037	0.3
63.84814	0.3
70.04999	0.6
70.05367	1.2
70.06587	2.9
72.08156	1.4
84.08146	0.8
85.02910	0.6
85.40008	0.4
86.09702	2.5
98.22739	0.4
99.04426	0.4
103.03945	0.5
105.93899	0.3
110.07149	0.4
120.08111	0.8
125.02118	0.5
127.03925	0.6
133.37253	0.4
136.07585	1.4
140.04442	1.0
140.28004	0.4
141.05244	1.2
163.07359	0.6
169.04738	3.7
172.77118	0.3
172.95256	0.3
185.04210	5.0
227.05190	1.8
241.06946	1.0
244.05826	0.4
245.89449	0.4
249.10947	0.6
261.11008	1.3
267.08435	1.4
271.07999	0.6
279.12003	2.0
285.09464	1.1
301.08990	0.6
313.08945	0.8
327.10645	0.6
329.08398	2.1
330.09134	0.7
339.10724	0.4
345.07983	1.1
347.09418	2.0
413.17966	0.6
431.75220	0.3
441.17218	5.4
442.17551	0.5
483.18369	1.3
495.21960	1.9
497.20129	0.8
523.21442	14.0
524.21661	1.8
525.19489	6.7
526.19775	0.5
541.21167	0.8
553.22485	1.5
557.22180	0.8
567.20026	2.0
585.21484	100.0
586.21887	11.3
586.30981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01696	0.7
53.03953	0.8
55.05516	9.8
56.05028	3.1
57.05821	1.7
68.78509	0.7
69.94787	0.7
70.06596	46.8
71.06935	0.9
71.28812	0.9
72.08158	100.0
72.33465	0.7
73.08477	1.9
74.51730	0.7
84.04505	5.7
84.08144	24.9
84.08620	1.5
85.02920	1.3
86.09709	11.2
98.06065	0.8
101.07169	1.5
101.10791	0.9
102.05567	2.8
104.05286	0.7
110.07190	4.9
112.08755	0.9
113.07148	0.8
116.07076	1.6
120.08112	18.3
121.08485	0.9
129.06625	0.8
129.10243	27.5
129.11224	1.4
130.04958	0.8
130.08664	1.1
136.07610	3.4
152.07005	0.8
155.08212	0.8
164.07126	0.9
166.08662	13.9
169.13359	4.5
171.11392	0.9
173.09261	0.8
185.09311	1.5
197.12869	4.7
201.08788	1.7
201.12312	0.9
213.12381	1.6
215.12157	0.9
215.13927	5.1
219.15050	1.4
221.61035	0.8
229.11876	0.8
233.75568	0.8
245.73891	0.9
254.98404	0.7
265.15472	32.2
266.15787	0.8
286.17566	6.7
329.09128	0.9
338.77637	0.8
339.11465	1.0
343.23431	1.1
347.09518	0.9
391.19632	1.0
441.17441	0.9
488.24335	1.4
523.21686	3.5
525.19220	0.8
567.34955	1.3
584.34479	1.0
584.79846	1.0
585.21588	46.9
585.30347	5.2
585.36383	6.0
586.21667	4.2
586.30084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.4
67.80723	0.4
69.50488	1.1
69.50899	1.6
70.06591	1.0
88.07622	0.6
98.22655	0.7
106.06552	0.9
108.08118	0.9
109.76160	0.5
120.08105	1.2
134.09720	0.7
136.07556	0.8
146.06003	0.6
149.02339	1.2
159.09166	0.6
166.08638	0.6
168.08179	0.5
170.08330	0.5
170.09700	0.6
182.09706	1.0
183.09216	1.6
184.09848	0.9
184.11292	0.8
189.10252	1.1
190.10999	0.9
193.04970	1.8
195.09180	1.9
196.10022	1.6
197.10637	3.0
198.11534	0.9
199.08636	0.8
199.12283	1.0
202.81580	0.5
204.09036	0.5
207.09300	0.6
209.10728	8.5
210.11450	5.0
211.08681	2.4
211.12274	4.9
212.09367	1.1
212.13071	2.1
213.10266	1.8
214.11061	1.0
215.11697	0.5
221.10895	0.6
223.12260	1.1
224.09525	1.8
225.10194	5.7
225.13803	1.0
226.10970	1.8
227.11745	4.8
228.12367	0.9
228.23233	1.2
229.13388	1.3
231.11385	0.6
237.10199	3.9
238.10938	4.5
239.11795	5.9
240.12531	3.3
241.09689	0.6
241.13350	1.9
242.10530	1.9
243.11272	1.4
251.11838	2.6
253.09708	0.6
253.13361	2.3
255.11343	2.1
255.14944	0.8
256.12228	1.6
257.12790	1.1
267.11465	0.7
269.12796	4.1
271.10907	3.3
271.14474	8.6
272.11649	0.8
273.12381	0.9
279.11331	1.6
281.12866	2.6
283.11118	0.9
283.14545	1.2
284.11462	2.3
285.12170	2.7
286.13040	2.7
287.13849	2.2
288.14813	1.0
295.10748	0.6
297.12335	40.9
298.12717	4.1
299.13882	41.9
300.14203	2.6
301.12115	2.3
301.15625	1.9
302.12976	1.3
302.16550	0.9
303.13760	0.5
314.13031	1.2
315.13657	1.3
316.14465	5.1
316.17923	0.8
317.15207	2.0
328.14392	2.8
329.15305	1.4
330.15939	4.0
331.16837	6.5
332.17514	1.7
341.06668	0.6
343.17224	0.8
344.17545	13.1
344.21542	0.9
345.18185	2.1
346.19147	3.4
360.20663	4.8
361.20963	0.7
370.15652	0.7
374.22330	0.5
385.09085	1.1
385.17941	0.5
390.18195	3.3
395.19058	0.6
402.18042	0.7
402.68167	0.5
403.18839	1.6
404.19614	5.2
407.14600	0.6
418.21298	0.6
419.22113	1.8
423.18051	1.1
436.19263	0.8
437.19693	1.8
438.20447	1.1
439.21185	0.6
449.19394	0.5
451.21320	1.0
452.22244	1.4
453.22855	1.3
462.20215	17.1
463.20959	10.9
464.21353	2.7
465.22882	0.8
467.24329	1.3
497.21896	1.6
525.24988	1.1
541.27826	0.8
567.26093	1.8
568.24597	1.4
570.24323	1.2
585.27032	100.0
586.27466	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2708
Annotation	kirkinine D
Peak:m/z	Relative Intensity
52.91610	0.4
55.05515	0.8
57.07077	1.1
64.28468	0.4
67.05514	1.4
69.07079	0.9
69.72170	0.4
71.29762	0.6
79.05501	1.2
81.07043	1.4
83.08601	0.8
86.36663	0.5
89.06043	1.0
91.04961	0.4
91.05505	1.2
93.07047	1.6
95.08640	1.1
102.09144	0.6
105.07044	1.1
107.08624	0.5
109.10159	0.9
113.88203	0.5
117.07004	0.4
119.08493	0.4
121.10151	0.8
133.08607	0.7
145.10120	0.8
157.10240	0.5
171.11794	0.5
219.17693	0.4
221.10880	0.5
223.12349	0.9
235.12331	1.0
236.13147	1.0
237.13922	1.4
240.78735	0.4
249.13982	1.1
251.11929	0.8
251.15520	1.1
252.16147	0.6
256.26346	0.9
261.13919	2.3
262.14664	0.6
263.11890	0.6
275.20227	0.6
279.15079	1.0
300.15057	1.1
300.29053	0.6
311.29568	1.1
314.16483	1.0
315.17307	0.8
324.14896	0.8
330.19620	0.6
338.15930	0.8
339.16232	2.0
340.17975	2.3
351.16519	0.9
352.16910	2.2
353.17691	3.2
354.18494	2.5
363.16296	0.7
364.17331	1.3
365.17590	1.3
366.18573	1.4
367.15378	0.8
367.19330	3.3
368.20169	3.9
369.20740	4.3
375.16165	0.5
377.17639	2.5
378.18619	1.0
379.19415	4.9
380.20157	1.1
381.16705	1.0
381.20801	1.8
382.21692	0.7
383.22424	2.7
391.19250	1.2
392.20227	0.6
393.20914	1.8
395.18396	2.6
395.23123	0.9
396.19165	0.8
397.20340	1.5
405.21335	0.5
409.15991	0.8
409.20718	0.8
410.21353	0.9
411.21875	1.7
412.19089	0.8
423.18243	1.8
424.18961	1.9
425.19687	5.7
426.20517	1.5
427.21671	0.5
437.19696	2.9
438.20490	3.0
439.21295	13.7
440.21771	2.0
441.23398	0.6
451.21552	2.1
452.22217	2.4
453.22934	1.1
454.23734	1.1
455.24731	0.8
456.25366	0.6
465.22812	0.9
466.23453	0.7
469.25922	1.7
479.24588	1.8
482.23294	1.1
483.20401	1.4
484.24619	1.3
497.26233	3.1
499.23242	0.5
510.22961	1.0
512.24323	0.9
514.25922	1.6
525.24988	34.1
526.25146	4.4
539.26666	1.1
557.27533	1.2
584.56390	2.8
585.27106	100.0
585.56750	1.5
586.27466	14.2
586.36871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61665	0.6
55.05507	0.9
56.05046	0.9
65.04484	0.6
67.05495	1.2
69.07068	1.0
69.53539	1.0
69.53946	3.0
70.06600	6.3
71.04920	0.6
72.08139	2.8
72.70352	0.6
74.06059	0.9
76.69974	0.6
79.05499	0.9
81.07044	1.3
83.04958	0.8
84.04462	0.8
84.08130	3.3
85.02885	1.0
86.09706	7.1
91.05485	1.0
93.07063	0.9
95.08614	1.3
97.02871	0.8
100.11243	1.8
105.07050	1.3
107.08587	1.2
112.08752	0.8
120.08105	2.0
121.10191	0.9
127.03906	1.0
129.10236	0.8
135.07983	0.8
141.06961	0.7
143.11694	0.7
182.15443	1.0
201.03738	1.0
203.05331	1.9
279.15527	1.2
283.07916	2.4
285.09372	4.8
287.07425	5.3
329.08359	1.8
345.07904	25.0
347.09470	28.4
348.09949	1.6
405.22302	0.8
407.24063	2.8
423.19708	1.0
441.21146	3.4
479.08813	0.7
483.21841	1.0
523.25055	8.0
525.23169	2.1
553.22742	1.2
567.23187	1.0
576.39893	0.9
585.26215	100.0
585.39526	4.5
585.90369	5.3
586.27130	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	585.3243
Annotation	Caracurine V
Peak:m/z	Relative Intensity
51.87666	1.0
56.05043	3.1
65.21609	1.1
69.07068	5.7
70.06595	100.0
71.06916	1.4
71.28942	1.8
77.73940	1.0
83.06108	5.3
83.25761	1.3
84.04506	54.3
84.08147	2.4
85.04048	1.4
86.09708	37.1
88.04013	7.4
96.08134	3.0
98.02398	1.5
101.07143	49.4
109.38021	1.2
110.09637	1.1
129.10242	1.3
132.10210	6.3
133.06131	1.6
140.37146	1.3
141.10252	6.2
156.10213	11.0
180.11363	1.6
181.09792	4.6
183.11287	3.4
183.62738	1.1
201.12350	51.5
208.10823	4.1
209.09332	3.0
229.11946	18.0
229.15457	59.3
230.15930	3.2
246.14507	6.3
270.14413	1.7
276.58237	1.1
339.20331	4.6
340.18542	2.6
357.17566	8.0
383.03961	1.1
464.48587	1.1
585.19769	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	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88913	1.2
57.07062	2.1
67.05515	4.0
69.07070	2.2
71.08639	1.5
79.05503	2.3
81.07062	5.5
89.06070	3.2
91.05482	4.2
93.07067	4.0
95.08620	3.8
105.07018	3.0
107.08586	2.6
109.10164	2.0
119.08543	2.0
121.10088	1.6
131.08540	1.5
145.10124	2.8
152.58772	1.4
211.20183	1.2
233.30556	1.6
251.12480	6.4
299.85699	1.4
305.30551	1.5
307.15158	5.6
335.25858	2.0
357.23972	1.6
584.55865	3.1
585.27502	5.0
585.37543	100.0
585.56628	5.3
586.37714	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	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
54.69926	1.8
55.10883	1.9
65.03963	3.1
69.43318	8.5
70.06591	13.0
72.08173	3.4
75.04476	4.1
79.05505	2.4
84.08171	3.2
85.02915	2.7
86.09705	6.9
91.05474	12.9
93.03430	10.9
93.07048	5.9
95.04959	4.6
103.05480	6.4
105.07056	4.9
106.04167	26.9
119.04959	3.5
121.06510	25.3
123.04505	2.2
125.05994	5.9
129.10258	1.9
131.04982	3.2
133.02837	4.4
133.06557	4.4
134.03656	4.5
137.06010	5.8
139.07561	2.2
148.05235	2.6
149.05980	45.6
151.07617	2.4
153.05513	2.8
153.09123	13.2
161.06024	10.7
163.07571	3.4
165.05435	2.6
166.27185	1.8
171.11238	1.7
177.05466	23.1
181.08566	17.7
191.07027	12.0
191.38124	1.9
193.08623	6.6
209.08089	100.0
210.08499	3.9
237.02861	2.8
349.08267	2.1
442.14676	4.0
456.26172	1.9
496.71277	2.6
526.16479	2.6
569.12769	5.0
586.19623	16.1
587.13672	7.2
587.21387	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05019	0.6
60.79826	0.3
67.05498	0.6
69.07076	2.3
70.02945	1.0
70.06594	9.6
70.43465	0.9
71.06929	0.5
72.08163	1.7
74.06049	0.4
74.90125	0.3
75.05566	0.5
77.49950	0.3
79.26862	0.3
81.07043	0.3
84.04482	0.6
84.05645	0.3
84.08146	2.0
85.02898	0.8
85.04023	4.3
85.57159	0.3
85.82307	0.3
86.09704	23.8
87.05587	3.6
87.10035	0.5
88.03972	1.0
90.77071	0.4
91.05469	0.6
93.07018	0.6
95.08578	0.8
96.08115	0.5
97.04018	0.5
98.02429	1.9
99.04445	0.7
99.05584	1.8
103.03942	0.9
105.07050	0.4
109.25912	0.4
110.02367	0.6
110.07140	0.8
112.05068	0.8
113.05973	0.3
115.05008	0.4
115.05462	0.4
116.07088	6.1
117.05711	0.8
117.07040	0.4
118.06549	0.8
120.08105	1.0
126.06641	0.5
127.03909	1.0
127.05033	4.5
129.10226	1.2
130.06523	10.1
131.06866	0.5
132.08086	15.7
132.10173	0.5
133.08438	0.5
136.05049	0.4
136.07536	0.6
138.09073	0.5
141.10225	1.6
142.06557	1.6
143.11797	0.8
144.07671	4.1
144.10060	0.3
144.30743	0.3
145.04950	0.5
146.05980	1.9
154.06134	1.2
155.04527	1.4
155.11801	1.3
159.09171	100.0
160.07564	1.7
160.09531	3.2
160.22899	0.3
163.06026	0.5
166.08679	0.4
169.07628	1.5
170.05937	2.3
171.08914	1.5
172.07152	6.6
181.07607	1.5
182.05666	0.5
183.09140	0.5
183.11241	0.9
184.07440	0.4
187.08723	1.8
188.07053	5.1
189.12352	1.0
194.05643	1.0
198.10226	0.6
199.08635	0.4
200.13989	2.8
201.12343	0.5
211.08342	2.4
211.10661	2.4
212.06609	0.9
216.11299	1.4
224.06647	0.9
226.09776	1.0
226.11813	0.7
227.08276	0.4
227.15419	0.5
228.13432	3.8
229.09323	2.3
229.15460	3.2
230.15771	0.6
236.08252	0.5
241.09355	2.6
244.10851	1.3
253.10876	1.2
254.09184	1.7
255.14886	0.5
272.17566	1.0
282.08795	1.8
284.19699	0.5
285.15680	2.3
295.11932	1.5
299.11310	4.3
300.16980	0.8
307.06204	0.4
312.14569	0.4
313.12903	1.8
330.15619	3.3
340.14035	0.7
340.20114	0.3
341.12393	3.4
342.17706	1.0
354.17639	1.8
358.15079	41.0
359.15439	2.5
370.24521	1.2
384.18692	0.4
398.23932	1.2
443.23953	1.1
453.22308	0.5
454.20895	0.6
471.23517	6.4
524.22229	0.5
543.65796	0.4
550.13519	0.5
586.20435	2.3
586.29181	1.1
586.36682	0.6
587.21674	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	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.34703	0.4
57.07075	33.6
58.07446	0.5
59.04989	0.6
63.62259	0.4
67.05499	0.8
69.07063	1.3
71.08630	25.4
73.06174	0.7
73.06556	8.9
75.47626	0.4
79.09968	0.4
83.08625	2.4
83.34512	0.4
85.10181	20.5
87.03934	0.5
87.04471	6.5
88.33519	0.4
89.06030	100.0
89.21146	0.6
90.06366	1.6
91.07613	1.1
95.08614	0.5
97.10162	4.7
99.11709	4.3
105.07012	0.7
107.07055	2.6
111.11719	1.0
113.13289	1.5
114.67677	0.4
117.09126	7.1
118.01231	0.4
119.08508	0.4
130.08627	1.3
131.07054	1.5
133.08598	45.3
134.08957	0.8
135.10248	0.7
155.17918	4.0
161.11739	1.4
175.09660	1.0
177.11215	17.8
178.11568	0.5
198.97479	0.6
199.20586	4.2
221.13802	3.5
229.31303	0.4
239.14932	0.8
243.23203	7.6
244.70355	0.4
265.16486	0.8
283.17462	0.9
287.25732	3.7
327.20068	1.2
341.10129	0.4
415.25299	2.8
569.42657	3.6
586.44818	0.7
592.99323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
56.05032	2.1
58.06611	0.8
59.43222	0.6
67.05502	1.1
69.07078	2.0
69.10693	1.4
69.11090	3.8
70.06591	23.3
71.06937	1.0
72.08156	19.5
72.08549	1.5
74.06094	1.3
79.05508	1.2
81.07040	0.8
83.04961	0.7
84.04506	4.6
84.08140	27.3
85.02901	1.3
86.09706	32.1
87.05595	1.0
87.10040	1.2
88.04012	0.7
91.05477	1.0
95.08645	0.7
96.04116	0.8
96.38158	0.6
97.06539	0.9
98.22678	1.9
101.10791	1.4
102.03695	0.8
102.05547	2.6
107.08603	1.8
110.07166	3.2
110.09663	1.0
112.08749	1.8
115.08689	1.0
116.07107	1.3
120.08111	1.9
129.10240	17.1
129.47650	0.7
130.05005	1.0
133.06123	1.2
136.07594	1.5
136.12149	0.8
138.09077	0.9
141.10240	1.6
143.11792	1.4
163.11212	1.5
169.08641	2.4
169.13379	1.2
170.08960	1.6
171.11330	1.0
173.12924	1.0
183.14920	1.2
185.16510	1.7
197.12862	0.7
197.16568	1.8
200.13945	0.8
201.12341	3.6
213.16013	1.6
215.10611	1.1
215.13980	2.2
227.12732	4.3
227.17656	0.9
228.13225	3.1
228.17105	1.1
229.11902	2.9
242.18427	1.0
260.19705	1.7
317.04227	1.9
328.18600	1.2
343.06433	1.0
347.05243	1.3
355.06741	2.5
359.26688	1.2
373.07785	1.0
377.05734	3.5
383.06079	3.0
395.06088	0.9
401.06583	2.4
407.06708	2.2
413.07184	0.9
419.07080	1.0
431.07330	1.7
437.08206	1.8
449.08563	3.5
455.08420	2.8
461.08389	4.7
467.09525	5.6
468.35431	1.0
479.09421	11.2
480.10773	1.1
485.09265	1.0
491.09671	1.1
497.10455	13.6
498.11139	1.0
509.10400	3.1
515.09894	1.5
521.10498	2.7
527.11407	7.0
528.12030	0.9
533.10529	4.1
551.11676	15.9
552.12122	1.6
569.12659	100.0
570.13080	8.2
586.37189	1.2
587.13312	72.3
587.20306	7.5
587.36627	7.6
588.13934	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	587.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.3
53.92706	0.3
55.05511	1.8
56.05035	1.0
56.40363	0.3
60.04521	0.7
67.05498	0.5
69.03426	1.2
69.07063	1.5
70.06593	13.7
71.04992	0.4
71.06919	0.6
72.08157	21.8
74.06060	0.9
78.98267	0.3
81.03403	0.8
84.04501	9.4
84.08141	4.6
85.02900	1.6
85.04883	0.4
86.09705	100.0
87.05590	0.3
87.10036	1.7
88.03989	0.5
91.05457	0.5
95.08569	0.3
96.04435	0.7
96.08107	0.3
97.02889	0.9
98.06068	0.3
98.09721	0.3
99.04434	0.4
102.05541	5.5
104.05327	0.4
109.02917	1.5
110.07173	1.1
112.07594	0.4
112.08733	0.8
113.07130	2.3
115.08726	0.5
116.07093	0.9
120.08112	2.0
121.02885	0.5
127.03924	1.4
127.08698	0.4
129.06635	0.4
129.10255	3.7
129.71806	0.3
130.04956	0.5
130.10617	0.3
132.10207	1.5
136.07626	1.2
138.09164	0.6
140.14340	0.6
141.06580	3.9
141.10213	0.9
143.11821	2.2
145.04967	0.5
155.08211	0.3
157.13344	0.8
159.07674	3.2
159.09032	0.5
159.11311	0.9
169.06093	7.6
171.11313	3.5
173.12831	1.7
175.10704	2.0
183.11354	0.5
183.14944	0.5
185.12920	0.8
185.16483	4.0
187.07184	15.1
187.10776	0.7
188.07317	0.4
197.12862	0.8
199.10980	0.3
199.18028	0.6
201.12344	2.6
205.07106	1.0
213.12387	0.9
213.15974	3.5
215.10321	0.9
215.13849	0.8
227.13942	0.5
227.17595	1.6
229.11787	1.9
230.11287	0.4
230.15819	0.4
231.17104	0.7
240.13506	1.5
241.11833	1.2
243.13376	0.7
244.12973	0.5
245.18587	0.5
253.22777	0.4
254.15073	2.0
255.13263	0.8
258.14529	0.6
270.18256	0.3
272.16125	1.8
281.10693	0.4
281.22110	0.4
282.14554	2.0
284.19733	1.1
286.14026	1.7
288.19171	2.2
295.06189	0.4
300.15549	16.7
300.18906	0.8
301.15927	0.7
308.06293	0.4
311.20959	0.7
329.21808	0.7
339.20279	1.2
342.20242	0.7
343.16040	0.6
343.19742	1.6
347.09546	0.4
354.20227	1.4
357.21274	1.3
367.23483	3.2
371.22931	0.7
383.26382	0.7
385.24472	4.4
395.22815	4.1
396.23129	0.4
399.22025	2.5
399.27014	0.4
413.08511	0.4
413.23929	8.8
414.24261	0.5
428.28677	0.5
431.09781	0.4
437.27063	0.4
456.28284	0.6
466.30182	0.8
467.11215	0.7
467.28592	1.0
479.09891	0.4
484.31400	3.0
491.12177	0.4
494.29501	1.1
512.30688	3.1
513.31360	0.5
537.83875	0.3
551.13654	1.7
569.13348	0.8
587.21167	4.9
587.36597	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	587.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.05041	1.2
56.42670	0.5
60.05649	5.0
66.53511	0.4
68.05018	0.8
69.07052	0.5
69.42186	2.1
69.42601	1.0
70.06593	70.0
71.04988	3.2
71.06938	1.2
72.08156	9.3
74.06059	0.6
80.78864	0.4
81.03420	0.7
84.04508	2.4
84.08137	3.7
85.02903	1.9
86.09705	19.3
87.05598	0.6
88.07635	1.4
95.06112	0.8
97.07657	1.5
98.06046	2.4
99.04488	0.9
102.05553	1.3
103.03960	1.8
110.07161	1.2
112.08730	25.1
113.07133	0.6
115.08687	5.1
120.08121	0.5
124.11253	3.1
127.03945	2.0
127.08666	0.7
129.10257	3.5
130.05003	1.6
134.09642	0.4
136.07634	1.2
140.08189	3.8
143.11801	1.5
145.05008	1.4
148.06024	2.6
151.12372	0.7
152.10718	1.1
157.10835	5.9
157.13365	4.6
163.06049	2.1
163.50812	0.8
168.14951	3.4
169.13359	9.6
171.11369	1.6
172.64610	0.5
181.09752	0.6
185.12866	0.9
194.12894	1.8
195.11293	0.7
196.14468	3.4
197.12874	3.4
201.12321	0.5
211.15543	33.8
212.15948	0.8
215.13786	0.6
228.18175	3.0
238.16620	0.5
239.15004	4.7
240.13376	0.6
256.17749	1.0
268.16550	1.0
282.19333	1.6
284.15918	0.5
299.21979	1.4
310.18750	1.7
327.21289	0.9
328.19659	0.6
345.22464	1.1
393.36087	0.5
395.27686	1.0
412.30307	1.7
423.27182	0.6
440.29596	2.2
441.28293	0.8
458.30588	2.2
525.22766	0.8
569.33972	0.5
570.32349	5.6
571.32513	0.7
587.23401	9.7
587.35083	100.0
588.22675	1.0
588.25574	0.7
588.35437	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	587.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59465	0.5
53.03933	0.6
55.05509	8.0
56.05040	3.8
57.05807	1.3
58.67738	0.5
67.05512	0.9
69.07073	0.8
69.63759	1.6
69.64154	1.0
70.06586	5.7
72.08152	87.8
73.08491	1.1
76.86051	0.5
82.06582	0.6
84.04497	6.2
84.08140	89.9
85.06536	0.6
85.08463	1.4
86.09697	6.5
92.51370	0.6
97.02883	0.6
98.97579	0.9
101.10762	4.1
102.05542	13.6
111.09171	0.8
120.08099	0.8
127.03888	1.1
129.10233	100.0
130.08617	2.1
130.10556	2.2
138.09117	1.6
147.11238	3.7
156.10243	2.9
183.11281	4.0
183.14958	2.3
197.16502	0.9
201.12338	23.2
211.14282	0.6
228.17058	21.0
229.11824	25.7
230.12102	0.7
238.15460	0.9
242.18880	0.6
243.16989	4.9
246.18153	0.9
260.19684	26.5
261.19907	0.7
263.16428	1.0
328.18640	9.7
357.21429	1.6
359.26486	21.1
360.26691	0.7
383.05539	0.6
407.06543	0.8
431.06848	0.6
456.28452	2.1
461.08121	0.8
467.09711	0.7
470.29807	1.5
474.29318	1.5
479.09265	1.9
488.30725	1.6
497.10358	3.0
527.11212	2.0
533.10455	0.7
551.11652	3.1
569.12598	21.6
569.36420	2.1
570.12781	3.2
587.13446	10.5
587.21252	7.7
587.37518	41.0
588.13568	1.7
588.21777	0.8
588.37726	3.8
593.61151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3915
Annotation	(4R)-11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(8R)-8-hydroxyundecyl]benzoate
Peak:m/z	Relative Intensity
55.05519	0.5
57.03440	0.6
67.05508	1.4
69.04833	3.4
69.07052	1.2
81.07063	2.2
91.05486	0.6
93.07062	0.9
95.08618	0.8
98.22540	0.7
105.07062	0.6
107.08594	0.5
109.10178	0.7
109.51276	0.4
177.92883	0.4
251.12529	5.5
259.04739	0.5
307.15152	5.2
428.01315	0.4
543.40033	1.0
587.39178	100.0
588.39490	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	588.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.8
57.05803	0.3
58.06583	0.3
67.05489	0.3
68.77957	0.2
69.03415	0.8
69.07069	6.7
70.06598	1.6
72.08164	1.2
72.25134	0.2
72.41595	0.2
73.51554	0.2
74.06075	3.5
81.03432	0.5
81.07034	0.2
82.06561	0.2
84.04507	1.2
84.08157	0.7
85.02904	1.4
86.09703	100.0
87.10020	1.4
97.02888	0.7
97.07629	0.3
98.06069	0.5
99.04440	0.3
102.05532	1.0
109.02881	1.5
110.07187	0.2
114.09187	0.2
116.07096	0.7
120.08097	0.5
121.10189	0.2
126.05512	8.0
127.03909	1.3
130.05031	0.6
141.10214	0.3
144.06618	0.7
145.04962	0.2
148.06026	2.6
153.06589	1.6
153.14508	0.2
157.13356	4.8
169.09773	0.8
185.12871	0.8
187.05974	1.6
197.09207	15.6
198.09622	0.3
199.18053	1.3
201.12328	0.4
205.07100	0.9
215.10269	6.2
215.13670	0.3
227.17551	2.1
229.11870	0.4
238.15483	0.5
243.13290	0.3
247.08174	0.3
261.14462	7.0
266.15063	0.2
281.64975	0.2
282.18170	0.7
286.69183	0.2
298.21301	0.4
300.19162	13.6
301.19574	0.8
310.17590	0.5
328.18649	24.2
329.18875	1.4
374.23016	0.6
441.26956	1.5
442.27246	0.2
519.96637	0.2
524.34277	0.2
589.22937	0.9
614.43445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
55.21087	0.2
55.89976	0.2
56.05028	1.0
58.06627	0.6
58.71267	0.2
60.08165	5.3
67.05501	0.4
70.06581	0.3
71.07373	3.4
72.08139	0.3
79.05508	0.2
79.41365	0.2
81.07062	0.4
83.19930	0.2
86.09707	30.2
87.10029	0.4
93.06996	0.3
95.08614	0.4
98.98467	3.6
104.10739	3.3
107.08618	0.2
109.06522	0.2
109.10191	0.2
119.08591	0.2
123.08054	0.3
125.00005	21.6
126.00304	0.2
143.01074	0.2
184.07344	100.0
185.07706	1.5
258.11066	0.4
570.35510	1.1
588.36646	1.9
589.36072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	75.4
79.05519	44.8
81.07079	100.0
91.05508	57.2
93.07030	50.3
95.08614	76.3
102.36770	34.6
103.73968	33.1
105.07047	50.1
107.08583	54.6
109.10209	37.3
112.31357	35.5
119.08620	42.2
121.10143	38.5
136.50883	39.6
136.79111	40.7
137.05991	63.8
145.10165	40.8
146.95105	39.5
160.75847	35.0
162.45699	42.9
179.14253	54.0
256.28622	36.4
265.43005	43.2
291.57901	41.0
323.64044	41.1
371.90775	38.6
419.39954	39.8
536.38452	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03950	4.1
55.01872	1.1
55.05511	35.7
57.03435	10.1
57.07076	13.2
63.34919	0.7
64.91864	0.7
65.03938	3.6
67.05503	91.1
68.05833	1.1
69.07066	40.0
71.04991	3.4
71.08631	4.2
71.17446	0.7
77.03905	0.7
78.30186	0.8
79.05491	54.3
80.82789	0.8
81.07055	100.0
82.07394	2.1
83.04986	2.4
83.08624	22.5
83.09118	1.2
85.06550	3.2
85.10176	1.5
91.04900	1.0
91.05478	30.9
93.07041	65.0
94.07360	1.4
95.04973	4.7
95.08602	75.3
96.08954	1.2
97.06534	5.1
97.10167	12.9
98.23341	2.6
99.08087	2.1
101.40126	0.8
105.04504	1.2
105.07028	22.5
107.08593	35.4
108.08906	1.0
109.06542	1.1
109.10153	35.6
110.10490	1.3
111.08082	3.8
111.11718	3.1
113.09605	1.2
115.05443	0.8
117.07005	9.1
119.08585	21.7
121.10138	32.7
122.10470	0.8
123.11707	16.4
125.09612	2.5
125.13288	1.3
129.07018	1.2
131.08568	16.9
133.10124	15.7
135.08095	0.8
135.11693	27.6
135.12680	1.6
136.12105	1.0
137.09633	1.0
137.13255	6.8
139.11172	1.8
139.80815	0.8
143.08569	2.0
144.26964	0.7
145.10114	13.5
147.11671	8.8
149.09729	1.0
149.13246	14.5
151.14825	2.0
153.12738	1.3
157.10101	1.9
159.11697	9.6
161.13243	7.3
163.11169	1.2
163.14816	7.8
165.12761	1.2
167.14243	1.1
171.11719	2.6
173.13257	7.1
175.14786	4.2
177.16411	3.5
185.13284	2.6
187.14815	4.9
189.16446	1.7
191.17934	1.7
193.19516	1.0
199.14960	1.0
201.16400	1.6
203.17957	1.5
207.21049	1.1
215.18004	1.5
217.19633	1.0
219.17519	1.0
219.21089	3.0
221.22585	1.3
229.19505	1.1
233.19051	1.3
233.22641	2.1
237.22186	3.2
242.22929	0.8
243.21025	6.2
247.20647	3.0
259.20599	2.2
261.22128	36.8
262.22534	1.8
263.23236	0.7
265.21677	1.2
275.20288	0.8
275.23752	2.3
277.21771	1.4
279.19604	0.9
279.23233	3.2
283.22687	1.2
289.25464	1.1
295.22699	1.0
297.24255	1.5
307.22769	0.9
311.25806	40.6
312.26266	2.8
313.27505	0.8
317.24719	5.4
321.24365	1.8
321.27875	0.9
325.27332	2.7
333.24194	1.1
335.25769	27.6
336.26074	1.9
337.27551	2.5
353.26761	1.0
373.34824	1.1
405.33829	1.1
497.43564	4.7
515.44830	5.1
571.47168	18.4
572.47272	2.2
589.48218	54.1
590.48486	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	591.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	22.3
70.06585	40.1
71.28600	7.5
72.08151	11.8
86.09706	19.2
96.40650	7.0
98.97579	15.5
105.40232	6.8
110.97514	8.3
115.13531	7.2
120.08115	8.6
122.35977	7.0
128.98608	11.4
135.02283	8.1
146.99574	8.4
171.21208	6.5
193.01653	7.1
219.01683	24.0
225.04308	10.1
237.02837	29.6
243.05455	10.2
251.02721	7.7
269.03357	27.7
287.04413	27.9
295.04953	18.3
313.06149	39.0
383.66266	8.1
395.06430	11.6
399.07449	8.8
413.07474	23.8
417.08694	13.2
429.08566	22.6
447.09485	20.0
591.13867	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35318	0.6
53.83818	0.6
69.52063	0.6
70.06591	4.1
71.28807	0.7
72.08155	1.0
76.02212	0.9
79.90662	0.6
84.04478	0.8
86.09715	1.1
86.45843	0.6
93.70021	0.5
95.04953	0.6
107.02260	0.6
117.08345	0.5
117.61481	0.5
120.08049	0.6
120.88211	0.5
129.10219	0.8
175.03648	4.8
179.04926	1.1
185.04210	1.3
207.78059	0.8
217.04742	2.5
219.06313	2.3
232.07059	24.3
233.07680	0.8
245.08067	0.7
263.13828	0.7
351.10489	12.1
352.10986	0.9
363.10403	1.0
365.12030	12.5
381.11694	1.5
429.15100	7.0
561.19171	1.0
591.20428	100.0
592.20660	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	591.2602
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
57.07064	0.9
63.28553	1.0
66.03375	0.9
67.05513	1.8
70.63300	2.6
71.08615	0.9
79.05482	1.5
81.07053	4.1
81.88255	0.9
91.05509	1.6
93.07062	2.3
95.08637	3.0
97.06551	1.2
105.07042	1.3
107.08609	0.9
119.08598	0.9
121.10165	0.8
129.00731	0.8
191.17470	0.9
261.22162	2.6
262.25488	1.0
311.16165	0.9
311.83347	0.8
312.07941	0.8
313.27502	2.3
335.26071	1.4
376.48657	0.9
401.17865	1.5
415.19119	4.5
416.20157	1.8
429.20929	5.8
430.21817	4.1
431.22229	2.5
443.22540	2.3
444.23727	5.7
445.23895	4.6
457.20587	1.1
458.20880	1.1
459.21219	1.6
459.26077	2.3
471.22168	0.9
472.22656	3.2
473.23343	4.3
474.24396	2.3
486.23941	1.1
487.24966	17.4
488.25223	2.9
489.22836	1.4
515.24927	1.0
530.93439	1.0
531.24103	10.4
532.24762	5.6
591.25995	100.0
592.26312	15.3
611.91425	1.0
617.86951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61968	0.8
53.03936	2.8
55.05511	9.3
57.03445	6.6
57.07073	1.6
59.20305	0.6
65.03925	1.4
67.05505	35.2
68.05833	1.1
69.07071	9.2
70.22873	1.1
70.23222	1.4
71.04994	1.7
71.08602	0.8
72.04501	1.7
74.18686	0.7
79.05492	24.7
81.07059	44.2
82.07389	1.2
83.04969	2.2
83.08617	5.1
91.05481	13.1
91.06026	1.4
93.07040	29.9
95.04945	2.3
95.08606	21.6
97.06512	2.3
97.10175	1.7
102.05547	1.9
105.07035	7.6
107.08595	16.5
109.06525	1.1
109.10154	8.1
111.08100	1.7
115.10352	0.7
117.07029	3.6
119.08587	5.0
119.32952	0.9
121.10150	9.4
123.08067	1.0
123.11713	5.9
131.08565	5.3
133.10147	5.6
135.11716	5.7
145.10123	2.1
147.11676	2.1
149.13260	10.0
159.11696	5.5
161.13237	1.2
163.14804	1.6
173.13228	1.1
177.12808	1.6
195.13791	7.0
196.14047	0.7
210.61752	0.7
218.10173	0.6
222.14896	1.1
240.15904	4.4
243.21143	2.3
261.22134	8.5
269.17453	4.1
296.18573	33.6
297.18756	1.2
317.24847	1.4
330.44824	0.8
335.25797	100.0
336.26144	8.7
482.36197	1.5
529.38617	4.9
556.39941	14.0
557.39935	2.1
574.40649	3.9
582.75183	0.9
592.26587	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	591.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42710	1.1
53.03949	2.4
55.05511	12.3
56.05025	1.2
57.03246	0.8
57.03439	9.0
57.07071	3.4
65.03944	2.8
67.05503	59.4
68.05847	1.2
69.07063	14.2
69.57953	4.6
69.58377	2.7
71.04989	2.9
71.08633	1.4
72.04514	3.2
79.05490	37.2
81.03405	1.6
81.07054	66.1
82.91871	1.1
83.04967	2.7
83.08626	8.0
84.04492	1.3
85.06532	3.0
87.79993	1.2
91.05481	18.9
93.07040	46.4
93.70357	1.2
95.04976	3.7
95.07986	1.9
95.08599	31.0
97.06532	4.7
102.05540	4.3
105.04527	1.1
105.07037	11.6
107.07861	1.9
107.08591	27.1
109.06560	1.7
109.10155	10.2
111.08078	3.3
117.07006	7.1
119.08597	4.8
121.10139	14.6
123.11706	7.5
130.76256	1.2
131.08556	8.2
133.10123	10.0
135.11678	10.8
145.10126	3.9
147.11707	4.9
149.13243	16.6
159.11687	9.5
161.13284	1.9
163.14850	1.9
173.13304	3.5
175.14796	1.6
177.12740	3.9
186.12614	1.6
187.14789	1.5
195.13797	13.7
204.13860	2.2
222.14882	2.9
240.15941	5.4
243.21095	1.9
261.22171	9.9
269.17429	5.9
296.18549	59.4
297.18829	1.6
313.27313	2.3
317.24857	1.5
335.25784	100.0
336.26013	6.1
429.72693	1.3
529.39050	6.8
556.39905	23.6
557.40021	3.1
574.41064	6.8
575.41571	1.4
592.26575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05518	10.9
57.03438	8.5
57.06797	1.7
57.07077	30.9
58.07418	1.1
59.67836	0.8
65.03933	2.5
67.05508	46.7
68.05836	0.8
69.07070	10.9
70.49944	2.4
71.08633	26.0
72.07990	0.8
79.05493	27.2
80.05851	0.9
81.07058	49.3
83.04957	1.1
83.08624	9.9
85.06537	2.1
85.10175	9.8
89.06042	1.0
91.05479	12.5
93.07047	32.9
94.07365	1.2
95.04961	2.1
95.08607	47.5
96.08964	1.8
97.06541	1.8
97.10174	6.2
99.08088	1.0
105.04472	1.0
105.07030	11.0
107.08597	20.5
109.10158	24.8
111.08091	1.3
111.11720	1.5
117.07040	4.5
119.08575	10.9
121.10141	17.8
123.08009	1.0
123.11711	10.9
127.11239	0.9
131.08574	11.7
133.10147	8.6
135.11688	16.3
137.13235	4.3
145.10109	7.4
147.11700	7.3
149.13264	10.3
151.14822	1.9
159.11656	6.3
161.13243	5.6
163.14806	6.0
173.13257	8.5
173.69957	0.9
175.14830	2.5
177.16443	2.1
187.14798	3.9
191.14343	0.9
201.16443	1.5
205.15901	1.0
233.22688	2.8
234.24046	0.8
239.23615	5.9
243.21094	14.0
244.21480	1.0
257.24762	1.7
261.22150	69.1
262.22607	4.3
279.23074	2.3
291.22995	1.0
299.23737	2.3
313.27353	100.0
314.27701	6.4
317.24771	15.8
318.25052	1.3
335.25809	60.1
336.26187	6.1
426.02945	1.0
483.79373	0.9
499.44916	2.4
573.48804	16.7
574.49280	2.0
591.49493	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.2
55.05514	17.0
57.03435	12.4
57.06797	2.4
57.07077	43.0
65.03933	3.5
67.05508	62.4
69.07069	18.4
69.48929	1.9
70.96597	4.3
71.08633	28.2
79.05492	38.8
79.05911	3.5
81.07058	64.7
82.07401	2.9
83.08614	13.9
85.10185	13.5
91.05472	17.0
93.07042	43.8
95.05003	2.5
95.08607	56.2
97.06541	2.0
97.10165	6.9
103.48768	2.3
105.07056	14.9
107.08594	24.9
109.10158	29.2
111.11716	2.8
115.38300	1.9
117.07014	6.7
119.08617	10.4
121.10156	20.2
123.11709	13.4
131.08569	11.5
133.10123	10.2
135.11656	14.7
137.13263	7.9
145.10078	12.4
147.11713	8.5
149.13243	12.5
151.14781	2.4
159.11716	7.8
159.75256	2.0
161.13235	7.6
163.14856	8.5
173.13245	11.5
175.14853	3.8
177.16380	2.5
187.14828	3.5
205.15907	2.0
226.26398	2.4
239.23672	5.6
243.21165	11.6
261.22134	63.0
262.22604	3.3
279.23059	2.4
313.27350	100.0
314.27612	5.0
317.24683	15.8
335.25766	67.3
336.26093	4.7
372.35791	2.4
573.48724	17.5
574.49414	3.2
591.49152	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	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01857	1.3
55.05513	14.7
57.03436	10.3
57.07076	40.6
57.19505	1.3
57.22806	1.1
59.26041	1.3
60.31281	1.4
65.03947	2.1
67.05505	57.5
68.05834	1.9
69.07068	18.1
69.68019	2.1
69.68408	3.7
71.05018	2.1
71.08633	31.9
71.09012	2.3
76.76550	1.2
79.05492	43.6
80.05848	1.4
81.07055	64.4
83.08612	15.1
85.06562	3.5
85.10188	13.7
88.79140	1.2
89.06044	2.0
89.08567	1.2
91.05482	21.2
93.07040	47.6
94.07383	2.0
95.04981	4.1
95.08604	54.3
97.06568	2.7
97.10184	6.2
97.43520	1.2
98.22677	1.8
99.08085	2.0
99.20375	1.2
100.22128	1.4
105.04498	1.5
105.07030	15.2
107.08591	31.2
109.10150	19.3
111.11720	1.7
113.09682	2.1
117.06341	1.4
117.06998	7.7
119.08582	8.0
121.10139	25.6
123.11710	10.2
131.08563	15.6
133.10104	9.9
135.11678	13.7
137.13274	3.7
144.28929	1.2
145.10104	10.7
147.11702	10.0
149.13263	14.1
149.84929	1.2
151.14778	2.1
159.11696	7.5
161.13231	6.1
163.14816	10.6
173.13240	12.1
175.14745	2.9
177.16364	2.7
187.14879	4.9
196.87944	1.3
201.16290	1.7
233.22667	3.9
239.23695	4.5
243.21107	23.0
244.21307	1.5
257.24811	1.8
261.22144	58.4
262.22446	3.0
279.32330	1.2
313.27350	100.0
314.27676	5.7
317.24796	11.4
335.25787	59.0
336.26135	4.2
415.99908	1.3
490.00226	1.4
553.86755	1.6
573.48737	15.6
574.48920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
55.05508	6.7
57.03441	2.1
59.04987	3.3
61.02933	2.1
67.05500	7.2
69.03427	20.8
69.07064	2.5
70.06590	13.5
71.04988	6.8
72.08160	23.9
73.02921	2.9
79.05494	11.0
81.03416	17.2
81.07057	31.4
83.04994	9.8
84.08152	3.6
85.02908	72.6
86.09722	15.7
91.05478	18.9
93.07047	52.9
95.04974	8.4
95.08596	11.3
97.02894	26.0
97.06550	3.0
98.23386	3.6
99.04452	40.6
103.03947	77.6
105.07041	22.3
107.08604	12.9
109.02870	21.0
109.06525	6.1
110.07173	2.4
114.89451	1.7
119.04932	2.1
119.08621	13.4
120.08108	13.9
121.06506	2.6
121.10144	18.4
123.08064	5.4
123.11707	8.4
125.05996	3.1
127.03917	100.0
128.04253	2.9
128.06216	2.5
129.05516	3.7
129.06998	4.0
131.08571	3.9
133.06499	3.3
133.10162	10.6
135.07971	2.8
135.11694	2.9
137.09633	3.9
142.07751	2.8
143.08575	4.2
145.04962	68.4
145.10126	10.3
145.44017	1.9
147.04306	2.5
147.11696	6.2
149.09566	2.0
151.07590	2.2
151.11177	10.9
157.10109	3.4
159.11646	3.8
161.09645	10.8
161.42546	1.8
163.06026	56.3
163.11198	6.0
165.09131	5.4
171.08022	1.9
172.20903	2.0
173.09549	2.6
175.03923	2.0
175.11168	4.5
179.10689	2.9
186.69261	2.0
187.06032	6.3
187.11121	4.2
187.14844	3.2
191.10698	2.6
193.12227	2.3
205.07074	5.8
205.12236	2.9
215.10605	5.5
215.14305	2.5
230.54999	1.7
233.11722	4.7
233.15422	5.9
237.31471	1.9
251.12747	2.5
253.04980	2.2
271.08136	10.8
289.09149	9.3
307.10205	13.8
362.17255	2.8
395.17004	4.4
438.30396	2.4
574.14410	2.3
592.25458	6.4
592.34247	3.0
593.31042	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	592.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	31.9
67.05489	46.3
69.00310	100.0
69.00726	66.3
79.05518	34.7
81.07011	37.7
83.08592	19.4
95.08607	30.7
98.23366	42.8
133.10141	26.7
145.49741	23.9
277.21783	38.3
295.22482	27.7
309.32574	28.2
310.30969	73.5
353.39310	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70205	1.5
71.51595	0.4
82.53106	0.3
103.49456	0.4
143.73808	0.4
143.88458	0.4
148.74477	0.4
259.85504	0.4
293.47028	0.4
343.27820	0.5
387.16336	0.6
389.17612	0.9
390.18552	0.6
400.17871	0.4
401.25455	0.4
402.18259	1.6
403.19217	3.9
404.19943	1.4
405.20828	1.6
415.14923	0.6
416.20172	1.1
417.15936	0.7
417.21082	5.5
418.21640	2.8
419.22330	4.5
420.22867	1.4
430.17914	1.2
431.18262	11.8
431.23697	0.8
432.18689	2.9
433.24149	9.5
434.24628	2.7
445.19864	11.9
446.20609	6.6
447.21707	6.9
448.22522	0.9
459.21268	4.6
460.22549	17.6
461.23215	14.9
462.23688	1.6
463.21655	0.6
473.23645	3.7
474.24118	1.0
476.25870	1.9
477.22372	0.7
477.27130	0.6
487.24832	1.6
488.25372	0.6
489.26172	0.7
491.24258	1.2
492.25226	1.7
504.21359	0.6
505.21854	6.4
506.22433	0.5
518.22882	0.7
519.23743	0.9
533.25446	52.6
534.25897	5.6
547.27179	0.6
561.24738	0.6
564.23389	0.9
565.27838	1.3
593.27533	100.0
594.27844	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	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.11887	0.7
69.12273	2.9
78.08517	0.3
81.68024	0.3
140.51115	0.3
152.15379	0.3
281.26300	0.4
324.83719	0.4
325.73132	0.4
359.34735	0.4
387.16150	0.5
389.17636	0.6
402.18381	1.1
403.19092	2.9
404.19980	1.2
405.20825	1.4
417.16168	0.8
417.21490	3.3
418.21695	1.9
419.22357	3.6
430.17932	1.1
431.18182	7.7
432.18646	2.0
433.24292	3.8
434.24875	2.0
445.20078	8.7
446.20728	4.0
447.21555	4.3
459.21396	2.6
460.22659	8.1
461.23257	7.4
462.23996	0.8
473.23361	1.6
474.23981	0.6
476.26050	0.7
477.22598	0.7
487.24973	1.1
491.24942	0.6
492.25092	1.1
505.21970	4.5
506.22830	0.6
519.23267	0.9
533.25543	15.7
534.26056	2.2
549.21521	0.4
556.30157	0.3
564.23492	0.4
565.27661	0.4
593.27582	100.0
594.27924	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3684
Annotation	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03928	2.5
55.01865	2.8
55.05503	2.7
57.03428	4.3
57.07067	2.3
61.02910	3.5
65.03938	1.1
67.05501	19.0
68.04354	0.7
69.03434	11.3
69.07075	4.0
69.31581	4.4
70.06586	2.4
71.04980	3.3
72.08135	1.5
73.02898	0.9
79.05496	7.5
81.03422	5.9
81.07050	11.6
83.04986	1.6
83.08624	1.2
84.08104	1.0
85.02902	37.1
85.06541	15.5
86.09708	1.6
87.04467	1.2
91.03970	2.1
91.05474	10.4
93.07036	12.3
95.04964	6.2
95.08042	1.2
95.08605	13.1
97.02888	9.6
97.06523	1.5
97.10132	1.4
98.22674	1.6
99.04458	2.9
105.07026	14.3
107.08591	16.6
109.02873	3.8
109.06532	4.3
109.10151	17.6
113.05993	7.6
115.05412	1.8
115.07558	1.0
117.07003	4.2
119.08571	9.8
119.73098	0.7
121.06544	0.9
121.09301	1.4
121.10145	22.6
123.08033	1.6
123.11717	4.1
125.09631	2.3
127.03930	8.0
129.07004	4.9
131.07135	0.8
131.08563	14.1
133.10121	19.4
134.10530	0.8
135.08037	1.3
135.11668	5.6
136.67149	0.7
137.09569	0.9
141.06960	2.5
142.07779	6.2
143.08549	9.9
143.10643	2.7
145.04910	5.4
145.10120	17.9
147.11678	27.0
149.09612	3.0
149.13254	1.8
151.11153	1.9
152.37981	0.8
155.08554	3.8
157.10120	58.0
158.10510	2.7
159.11685	27.0
160.12018	1.0
161.13257	3.5
163.06050	0.9
163.11218	2.8
169.10141	3.4
171.11678	12.0
173.13249	8.1
175.11180	9.8
177.12706	1.8
181.10220	1.3
183.11659	5.4
185.13255	5.9
187.14883	1.1
195.11636	1.0
197.13246	11.0
198.13976	1.0
199.14842	1.7
209.13275	1.6
210.14006	0.7
211.14816	8.3
211.65912	0.8
212.15454	1.5
213.16353	2.1
217.16011	0.9
223.14772	1.1
224.15567	3.0
225.16304	3.6
227.17775	0.9
229.77835	0.8
238.17320	1.6
241.04202	0.8
251.17998	2.5
253.19510	93.9
254.19850	6.2
255.20973	1.4
271.20554	100.0
272.20914	6.5
279.20999	0.8
283.24115	1.9
309.21783	0.9
355.26273	10.1
356.26514	0.9
367.64655	0.9
377.28369	1.7
395.29407	4.9
413.30466	50.3
414.30887	5.0
426.63315	0.7
431.31534	41.8
432.31851	3.5
433.25876	15.9
517.31433	5.4
557.35278	1.0
575.35828	15.8
576.35608	1.9
593.35675	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	594.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	18.2
57.07085	11.3
58.91024	10.5
59.23268	10.9
67.05502	15.0
69.07067	14.0
79.05461	13.9
81.07042	12.8
83.08612	26.2
93.07023	14.0
94.06572	12.3
95.08611	16.9
97.10177	15.0
109.10180	13.5
111.11691	12.3
229.50143	10.4
235.23758	10.3
247.22314	10.2
250.25165	10.7
262.25269	100.0
283.26395	18.4
338.34177	11.9
362.26535	11.8
594.57971	40.1
595.47076	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	595.1659
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03428	3.9
68.99799	3.4
69.26334	22.6
70.06586	14.6
72.08160	3.9
82.67005	2.8
84.47667	3.1
85.02934	7.7
91.05461	3.1
97.02853	5.3
98.23351	3.9
109.02881	5.4
119.04984	7.1
121.02872	34.7
126.82452	3.1
136.07562	6.2
145.02908	4.9
189.01793	11.2
195.02934	8.8
203.03300	15.6
207.02867	9.2
211.03986	3.8
217.04935	6.4
219.02841	4.6
221.04359	5.5
229.04953	4.6
255.02937	3.9
267.06686	4.0
279.06256	4.7
280.07251	4.5
283.06039	11.2
285.03903	5.1
287.05414	9.2
294.05209	19.5
295.06012	100.0
296.06412	7.9
297.07401	8.2
307.06039	55.6
308.06689	24.4
309.07654	17.9
313.07132	7.9
319.05969	5.8
319.09616	3.8
320.06873	7.3
321.07584	39.4
322.08243	14.6
323.05676	5.6
323.09079	5.2
325.07025	80.0
326.07388	4.5
333.07529	10.0
335.09100	16.5
337.07053	56.0
338.07385	6.5
345.07520	6.2
347.09116	13.2
349.07083	48.9
350.07751	5.1
351.08707	27.3
355.07996	12.2
361.06967	20.6
361.10873	4.5
363.08566	11.2
365.10306	11.7
367.08228	7.9
373.06946	7.9
375.08560	12.2
379.08160	54.8
389.10266	8.9
391.08142	38.6
403.08035	32.7
409.09235	46.1
415.08316	4.4
421.09265	25.6
427.10336	61.5
433.09378	6.3
439.10434	30.5
445.10318	10.8
457.11304	75.7
458.11539	8.5
463.10208	13.7
469.31845	4.0
475.12076	19.6
481.11313	43.2
487.10135	5.5
499.12503	26.2
500.12000	3.6
505.11310	10.8
511.12473	34.6
523.12292	33.7
529.13470	17.0
541.13300	31.9
559.14398	26.6
577.14978	14.2
596.32471	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	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.35596	0.3
53.03955	0.4
57.03437	1.8
57.03679	0.3
61.02912	0.6
69.03429	1.5
69.76244	1.2
70.06583	0.8
71.04601	0.6
71.04993	10.9
73.02901	0.4
75.04474	0.6
81.03413	1.2
83.04984	0.7
83.96963	0.3
85.02907	14.7
91.69807	0.3
97.02894	1.8
99.04446	0.4
109.02869	1.1
111.00793	0.7
111.04422	0.5
121.02859	1.9
127.03927	2.3
129.05481	3.8
137.02335	0.7
145.04947	0.8
147.04381	0.4
147.06503	1.2
153.01802	2.8
165.01804	1.8
166.89374	0.3
183.02953	0.8
187.06001	0.8
190.67767	0.3
209.98805	0.3
213.05478	0.8
231.06534	0.7
241.05002	0.7
258.05176	0.6
259.06131	0.5
287.05490	100.0
288.05804	5.4
341.22128	0.3
449.10818	0.4
476.77701	0.3
483.43323	0.3
595.21472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Apigenin 7,4'-diglucoside
Peak:m/z	Relative Intensity
53.03961	2.0
55.01871	2.6
55.05505	6.8
56.05046	2.6
57.03430	6.0
60.04528	10.6
61.02927	4.8
65.03944	1.5
69.03426	10.3
69.07070	2.5
69.08920	13.1
70.06594	25.9
71.05042	1.4
71.06913	1.4
72.08157	54.0
73.02910	3.7
73.08493	3.8
74.06068	2.4
80.04409	1.4
81.03418	6.1
81.07053	3.8
84.04504	7.5
84.08145	32.4
85.02909	34.6
85.04002	1.9
86.03238	2.7
86.09711	42.9
87.04482	2.7
87.10076	1.8
88.03996	3.0
90.05554	1.8
91.05482	14.2
92.05830	2.9
93.03407	1.7
96.08118	2.9
97.02918	10.9
99.04463	11.2
102.05553	6.4
103.03938	19.6
104.04243	2.8
105.07017	1.8
107.04955	4.3
107.11751	1.7
109.02861	9.1
109.06578	1.7
110.03220	1.8
110.07201	3.6
111.04448	1.9
114.09158	6.6
115.03930	4.7
119.04971	8.6
120.08086	18.1
120.08823	2.0
121.02876	37.6
121.06532	2.6
127.03933	25.1
128.04256	4.8
128.10727	3.2
129.10257	19.8
130.06528	1.8
132.10178	8.3
133.04948	3.8
133.06514	2.5
135.04414	2.1
136.07555	4.0
141.10226	1.9
145.02878	4.2
145.04965	16.8
146.05312	2.1
151.03902	2.7
159.09213	1.7
161.02310	1.8
161.09218	1.9
163.03891	3.0
163.06012	15.1
164.06346	3.4
165.01775	2.8
167.06828	1.8
173.12863	1.9
175.03946	3.2
177.01859	4.2
177.05426	2.2
179.03381	4.9
181.12280	1.4
183.11311	3.1
187.03813	1.8
187.10854	1.7
189.01866	10.5
191.03337	7.3
195.02905	9.5
201.12317	10.4
203.03389	15.2
205.04892	2.4
207.02884	10.8
213.02066	1.6
213.05463	2.2
215.03421	2.5
217.04964	8.2
219.02924	6.1
221.04497	6.0
227.03450	1.7
228.17108	2.5
229.04877	4.6
229.11821	9.8
231.02792	1.7
241.04977	1.7
243.06496	2.7
245.04398	1.8
253.04854	2.2
255.02876	2.8
257.04449	2.7
267.06619	2.6
268.07285	6.1
269.04358	2.2
271.06018	6.9
273.03885	2.6
279.06555	6.6
280.07086	2.4
281.08011	3.0
283.06024	21.5
284.06729	8.0
291.06491	2.3
292.07242	2.6
293.08145	4.2
294.05322	11.6
295.06024	100.0
296.06726	11.5
297.07544	12.9
304.07458	1.7
305.07999	1.8
307.06055	61.8
307.09714	4.5
308.06766	20.8
308.10226	3.0
309.04163	1.8
309.07501	21.6
310.08047	1.6
313.07071	22.1
319.06033	9.6
320.06750	8.3
321.04163	1.5
321.07574	39.3
322.08197	8.8
323.05515	5.6
323.09204	8.1
325.07071	77.4
326.07556	4.7
333.07623	9.7
335.05392	6.0
335.09149	26.7
336.06281	6.6
337.07043	53.1
338.07568	4.9
339.08551	7.3
345.07550	2.7
347.05267	3.4
347.09177	14.8
348.09567	1.9
349.07083	53.4
349.10587	1.8
350.07639	9.7
351.08588	19.4
353.06570	6.7
355.08002	3.1
357.07278	2.5
359.09290	2.4
361.06931	14.0
361.10785	2.8
363.08658	20.5
365.06100	7.2
365.10489	11.5
367.08130	9.1
373.06912	6.7
374.08020	1.7
375.08624	17.8
377.06448	6.6
377.10574	3.0
379.08136	28.0
380.08267	2.6
389.10114	7.0
391.08060	29.7
392.08530	2.9
393.09686	14.2
395.07663	4.2
397.09320	7.1
403.07941	14.8
405.09641	4.5
409.09125	22.6
415.10092	4.6
417.09711	6.1
421.09149	45.7
422.09332	4.0
423.10892	1.9
427.10342	36.6
428.10846	2.2
429.10007	2.0
433.11240	13.1
439.10263	99.0
440.10416	5.9
445.09253	12.6
451.10315	3.9
457.11383	21.7
458.11429	2.6
463.10126	10.8
473.10590	2.1
475.10825	7.3
477.11505	3.0
481.11441	11.7
487.10327	3.3
493.11151	4.5
495.12711	10.0
497.10733	6.6
499.12213	4.2
505.11230	13.8
511.12778	2.8
513.13879	3.3
515.11487	2.6
523.12384	42.8
524.12848	4.1
536.30750	1.7
541.13452	78.9
542.13843	7.9
559.14496	80.5
560.14587	6.6
577.15710	10.7
595.15912	2.3
595.29388	6.6
596.26929	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	595.166
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
55.01851	0.2
55.05501	0.1
56.05021	0.1
57.03420	0.1
61.02907	0.1
67.01875	0.6
67.05513	0.2
68.99785	0.3
69.03432	0.4
69.94316	0.2
69.94698	0.3
70.06597	2.1
71.04998	0.7
71.06903	0.1
72.08157	4.2
73.02920	0.1
74.06078	0.3
79.79984	0.1
81.03416	0.4
83.04989	0.2
84.04503	0.3
84.08134	0.6
84.61165	0.1
84.86962	0.1
85.02904	1.7
85.08503	0.1
86.09710	1.2
87.04470	0.3
88.03949	0.3
89.03931	0.2
91.05475	0.2
93.07063	0.1
97.02892	0.6
98.22663	0.2
99.04442	0.4
102.05531	0.2
103.03938	0.4
105.07089	0.2
107.04921	0.1
107.08595	0.1
109.02905	0.7
110.07155	0.3
117.03381	0.2
119.04910	0.1
119.08572	0.2
120.08104	0.8
121.02868	0.4
124.11269	0.2
127.03930	0.9
129.05492	0.2
129.10199	0.3
130.06557	0.2
132.08118	0.1
135.04424	2.0
136.07559	0.3
137.02328	0.4
141.52115	0.1
145.04939	0.4
147.04347	0.1
152.01596	0.1
153.01826	6.0
159.09149	0.4
161.02335	0.7
162.44341	0.1
163.03886	0.3
163.06023	0.2
167.10823	0.1
170.05997	0.2
171.02887	0.4
175.03946	0.1
177.05476	0.2
179.03392	0.4
185.05888	0.1
187.06056	0.2
189.01862	0.1
192.87878	0.1
195.13737	0.2
201.12341	0.1
203.03404	0.4
207.02991	0.2
213.05493	0.2
231.06419	0.2
237.28967	0.1
241.04974	1.0
245.04277	0.2
269.04443	0.4
271.05994	1.3
283.05893	0.2
287.05487	100.0
288.05835	5.9
288.09067	0.3
294.05197	0.2
295.05923	0.9
307.05960	0.5
308.06821	0.3
309.07404	0.3
313.07025	0.2
319.06229	0.2
321.07565	0.5
325.07077	0.8
335.09131	0.3
337.07144	0.5
346.95630	0.1
349.07043	0.7
351.08649	0.3
361.07266	0.2
363.08548	0.2
365.08041	0.3
375.08990	0.1
379.08170	0.5
391.07953	0.4
401.10187	0.3
409.09241	0.2
416.22922	0.4
421.09088	0.5
427.10229	0.4
439.10312	1.0
440.10312	0.2
445.09094	0.2
449.10562	0.3
457.10959	0.3
463.09937	0.2
481.11026	0.2
505.11588	0.2
523.12299	0.4
541.13220	0.9
559.14075	0.8
595.16675	0.2
595.28516	0.3
596.26837	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	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86801	2.8
53.03939	3.1
55.01865	3.5
55.05521	16.9
57.03443	6.8
58.06475	2.8
65.03960	2.7
67.05500	71.6
67.05840	5.6
69.07065	16.2
70.56475	7.9
70.69621	2.6
71.04998	3.0
71.08617	3.9
79.05489	47.7
79.05910	4.1
81.03406	5.6
81.07057	84.2
82.15882	3.2
83.08614	10.9
85.06544	5.5
87.63213	3.0
91.05472	22.9
93.07044	59.1
95.04950	3.2
95.08600	57.1
95.09166	4.5
97.02886	3.1
97.10211	5.4
105.07043	21.3
106.55827	3.1
107.08591	49.2
109.02870	7.8
109.10150	30.5
117.07017	10.4
119.08576	17.0
121.10145	38.0
123.11705	17.8
127.03867	4.2
131.08589	22.2
133.10107	16.4
134.70512	2.8
134.71519	3.0
135.11682	37.3
137.13278	7.0
138.71806	2.7
145.10118	16.6
147.11714	11.2
147.16312	3.3
149.13266	29.5
159.11688	22.1
161.13266	14.3
163.14821	21.2
167.14159	2.9
173.13292	18.3
175.14784	5.6
177.16411	3.4
187.14822	7.8
201.16264	3.5
205.15971	3.3
233.22633	3.3
243.21066	43.0
261.22128	100.0
262.22507	6.1
335.25662	18.5
353.26785	36.9
354.27325	3.5
369.23666	3.2
494.33087	3.7
561.26648	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	596.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01867	1.8
55.05507	14.1
57.03435	4.4
57.07078	3.0
65.03938	2.7
67.05501	67.2
68.05837	2.1
69.07061	14.7
69.69633	7.5
71.04965	3.0
73.02923	2.2
75.04456	1.9
79.05493	40.3
81.07053	75.1
82.07434	2.1
83.08622	5.7
85.06538	2.6
91.05473	22.7
93.07034	49.8
95.04967	4.9
95.08604	57.1
97.02880	2.7
97.06524	3.1
97.10142	3.2
99.08072	2.0
101.82856	1.5
105.04501	1.7
105.07025	15.8
107.08591	33.2
109.02900	5.1
109.10154	30.9
110.03647	3.0
111.04433	1.8
111.08122	2.4
117.06995	9.3
119.08573	18.0
121.10136	36.4
123.11692	15.4
125.09669	2.6
127.03900	2.7
131.08563	18.9
133.10139	14.7
135.11693	27.5
137.09628	2.9
137.13271	5.6
145.10115	16.1
147.11667	13.4
149.13263	23.2
159.11697	14.9
161.13269	12.1
163.14792	14.1
165.12749	3.0
173.13263	15.0
175.14854	3.0
177.12775	2.6
177.16403	4.8
179.14279	2.2
185.56740	1.7
187.14824	11.7
189.16354	1.6
191.00000	2.6
191.14316	2.2
201.16451	3.3
205.15886	2.3
215.17943	2.2
233.22612	3.4
243.21089	34.1
244.21365	3.1
261.22122	100.0
262.22440	7.5
274.09619	1.7
279.23154	4.6
303.23242	2.1
335.25812	25.1
353.26846	30.9
354.27136	2.5
528.83301	1.7
561.27228	8.9
569.20209	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	596.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70120	0.6
55.05500	1.6
55.92547	0.5
57.03420	1.3
57.07082	0.6
66.22835	0.4
67.05500	5.1
69.07065	1.9
70.23894	1.7
70.36209	0.5
74.53954	0.6
79.05498	3.4
81.07062	4.5
83.08607	0.6
91.05464	1.7
93.07055	3.5
94.98098	0.6
95.04928	0.7
95.08612	3.3
97.10149	0.6
105.07020	0.7
107.08588	1.8
109.10158	1.6
117.07047	1.0
118.54741	0.6
119.08627	0.8
121.10144	1.4
123.11713	0.7
149.13242	0.7
163.47112	0.5
167.27261	0.5
235.12952	0.7
262.14151	14.1
290.09589	0.6
312.32431	0.6
318.16769	2.0
335.25848	2.5
349.22842	0.6
449.21884	0.6
463.23563	0.7
503.35995	0.5
536.26440	1.7
589.60370	0.6
596.28809	7.2
596.39093	100.0
597.39423	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11571	0.3
51.19313	0.3
55.05515	0.7
57.03447	0.5
65.94891	0.3
67.05503	3.1
69.07072	0.8
69.41274	2.1
70.14713	0.3
73.02979	0.4
79.05494	1.7
81.07065	3.5
87.75033	0.3
88.40062	0.4
91.05486	1.0
93.07037	1.8
95.08610	1.8
95.14630	0.3
96.83334	0.3
105.07031	0.5
107.08595	1.0
109.10199	0.7
121.10134	0.5
131.08618	0.4
133.10164	0.8
143.48407	0.3
143.51364	0.3
147.49910	0.3
149.13298	0.5
183.42859	0.4
254.10567	0.3
262.14139	6.1
296.18661	0.4
315.28195	0.3
318.16736	4.2
321.36557	0.3
335.25836	1.5
437.41138	0.3
490.29535	0.4
503.37378	0.6
522.31818	0.4
536.26312	0.6
569.38275	1.1
596.39166	100.0
597.29907	0.6
597.39514	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.9
55.05509	16.2
57.03430	8.2
67.05176	5.5
67.05508	60.9
69.07058	16.6
71.04990	5.4
75.57186	3.1
79.05492	33.0
81.03436	3.9
81.07060	44.8
83.04987	38.0
83.08631	6.3
85.06547	5.2
91.05482	19.9
93.07042	47.2
95.05016	5.3
95.08614	26.4
97.06537	10.6
99.04479	2.9
99.08098	3.7
105.07040	12.9
107.04970	5.6
107.08610	28.8
109.10153	21.5
111.04448	71.2
111.08090	23.3
117.07002	5.4
119.08602	11.2
121.10152	25.2
131.08562	12.7
133.10162	3.4
135.11688	29.3
145.10109	23.1
147.11690	10.4
149.09616	6.4
149.13260	5.0
153.12747	36.2
155.08507	4.5
159.11674	3.1
163.11174	48.4
173.09628	9.9
181.12230	56.3
191.10680	51.4
209.11705	16.7
227.10680	6.5
227.12793	76.9
243.20996	4.5
261.22214	14.8
283.15405	100.0
284.15640	4.3
301.16473	78.3
302.32162	3.4
335.21808	4.1
335.25800	82.3
336.26352	4.8
543.37048	6.1
561.37878	51.6
562.38269	3.9
596.59753	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01873	13.1
55.05521	19.0
57.03437	10.2
57.07087	3.2
64.43750	2.3
65.03960	3.5
67.05180	5.1
67.05510	61.0
69.07063	11.2
69.41241	2.9
69.67529	12.5
71.04969	2.5
71.08632	3.2
71.75645	2.3
75.24171	2.1
79.05497	36.0
81.07066	49.9
83.04987	35.4
83.08622	9.9
85.02920	3.4
85.06599	2.9
91.05492	22.3
93.07059	51.6
95.04953	5.6
95.08618	38.1
97.06535	10.4
99.04463	4.6
105.07035	11.1
107.08604	24.2
107.45102	2.5
109.10170	23.6
111.04453	58.7
111.08083	19.5
117.07026	7.2
119.08592	16.0
121.06525	2.6
121.10148	25.8
125.06047	2.5
129.06963	2.6
131.08609	15.8
133.10117	3.9
135.11691	25.6
145.10121	20.0
147.11679	5.7
149.09612	4.8
149.13254	3.8
153.12758	31.1
159.11688	2.4
163.11176	37.2
173.09630	6.3
175.50360	2.5
181.12234	32.8
191.10683	31.5
209.11787	9.9
227.12791	44.4
243.21077	3.0
244.72902	2.4
261.22235	11.5
283.15421	83.2
284.15808	5.8
301.16431	47.6
335.25806	100.0
336.26172	6.9
340.00317	2.5
350.86234	2.9
543.36761	7.3
561.37830	65.2
562.37994	8.9
574.46686	2.9
579.14606	3.1
596.59497	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	596.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	33.2
60.63767	28.8
67.05490	73.4
79.05489	60.0
81.07063	48.9
89.48824	34.3
91.05461	35.9
93.07024	36.8
131.08688	33.4
154.88818	33.2
155.11548	31.6
160.94232	33.4
199.96507	32.8
202.07578	30.2
249.86142	30.2
267.15863	54.3
302.82300	32.7
503.37042	43.2
596.59705	100.0
618.80200	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91619	1.6
69.03448	3.8
69.46461	9.8
70.06598	4.3
76.14841	1.8
79.05505	2.6
81.03422	14.8
81.07053	2.1
84.08145	2.3
85.02916	6.7
91.05455	2.0
97.02912	3.1
100.11238	2.0
103.05480	3.2
105.07030	2.1
107.04964	7.0
115.05484	7.7
117.07027	15.8
123.04470	2.1
127.03944	3.5
129.07053	1.9
131.08597	2.9
135.94574	1.9
141.06953	2.7
144.05632	2.2
145.04910	2.2
145.05290	2.9
145.06490	33.6
146.06837	2.4
155.06042	4.8
156.05695	6.8
157.06435	1.6
159.08028	4.2
161.05983	4.6
167.07043	45.6
173.05986	55.3
174.06393	2.9
180.08714	5.7
181.61415	1.7
184.05229	2.2
187.07532	5.7
190.06270	26.7
191.06902	2.9
193.08574	2.7
202.06219	3.1
203.07036	9.7
205.08612	100.0
206.08983	5.4
217.08606	43.2
217.10558	3.1
218.09064	2.1
219.08107	2.2
219.10074	3.0
223.09581	2.5
233.09758	2.4
235.09651	29.6
247.07475	2.9
247.09746	4.4
265.10727	29.3
271.09579	2.2
315.08673	2.5
323.12802	1.7
330.11023	6.3
331.11740	4.3
333.73288	2.1
337.10736	2.2
351.12350	3.9
371.14868	2.3
383.14777	10.4
401.16003	10.6
444.19449	1.8
598.32825	2.3
598.44550	3.9
613.39117	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	598.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.5
55.05533	1.5
56.05042	1.4
57.03432	3.4
58.06595	1.2
61.02931	1.9
63.29519	0.6
67.05517	2.4
67.62016	0.6
68.68071	0.5
69.03429	10.3
69.07072	1.7
69.90089	2.4
70.06209	1.0
70.06593	19.0
71.05008	1.7
71.06919	0.7
71.14928	0.5
72.08157	26.9
73.02925	3.0
73.08504	0.8
77.34841	0.6
79.05498	3.6
80.05037	0.7
81.03416	4.3
81.07062	3.5
82.06590	1.7
83.07366	2.0
83.97006	0.7
84.04520	2.3
84.08139	4.9
85.02905	14.9
86.09702	6.8
87.04485	2.8
87.05611	0.7
91.03992	1.1
91.05499	2.8
93.07062	2.4
94.06577	5.2
95.04999	1.9
95.08633	1.7
96.04486	0.7
96.08170	2.8
97.02896	6.2
97.06536	0.9
98.06096	1.1
99.04489	2.3
102.05602	0.7
105.07063	2.5
106.06615	0.8
106.99879	0.7
107.04971	1.4
107.07369	1.4
107.08584	1.4
108.08122	3.6
109.02907	1.7
109.06547	0.8
109.08922	1.1
110.06074	0.8
110.07196	1.7
110.09710	2.1
112.07652	2.8
113.02412	2.7
114.09206	0.7
115.08758	0.9
116.07101	0.8
117.07058	0.9
119.04992	0.9
119.08585	1.0
120.08110	19.8
121.08903	1.5
121.10149	0.8
122.06083	1.1
122.09691	5.1
123.04425	12.1
124.06175	0.7
124.07699	0.8
124.11260	1.0
127.03932	3.5
127.09952	6.1
128.10747	1.4
129.10262	2.0
130.06506	0.6
131.08601	1.0
132.08142	2.5
133.10196	1.5
134.06111	0.8
134.09706	1.9
135.11739	0.8
136.07625	1.9
136.11278	0.8
137.06046	0.9
138.09167	0.9
139.07643	0.7
140.10712	4.5
146.09695	1.0
147.04436	1.3
147.06821	1.3
148.07622	2.0
148.11296	0.7
149.06047	0.9
150.09163	3.2
152.10806	2.2
158.09389	0.6
160.07652	1.7
161.09593	0.8
162.09204	1.3
162.12982	0.7
163.06094	0.8
165.07922	0.9
166.08624	3.7
166.12299	0.7
167.07111	0.7
175.11916	0.9
176.00273	0.6
177.10390	0.6
178.08690	2.2
179.09448	1.1
180.10306	1.5
183.14993	0.9
192.10304	2.3
194.15460	0.7
202.12440	0.7
204.17554	0.8
204.55760	0.6
206.11844	0.8
206.19133	0.9
208.17162	0.9
210.11320	1.9
216.17593	0.8
221.15685	0.6
222.18602	1.6
224.20113	1.5
234.18697	0.6
240.19702	1.7
243.10220	0.9
244.17093	1.2
262.18127	1.7
272.12225	0.6
274.08249	0.8
276.19601	0.9
288.06030	0.7
294.20639	7.4
314.21136	1.7
326.21558	0.9
328.22601	8.5
328.25919	0.8
330.24277	3.5
340.22842	4.9
342.20477	0.8
346.23920	1.6
348.25296	4.0
351.08670	0.7
358.23755	8.0
368.22208	9.3
368.26031	0.7
369.10300	0.8
369.22733	0.9
376.24857	4.7
386.23209	5.0
387.23715	0.8
400.24820	9.3
400.29135	0.8
401.25403	0.9
402.24814	2.2
404.23196	1.2
404.32748	0.6
418.25864	69.3
419.26166	6.9
436.26926	9.1
437.27203	0.8
460.26941	1.2
478.28430	2.9
559.17371	0.7
580.31165	35.3
581.31671	4.6
598.32385	100.0
599.32941	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	598.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14821	0.3
50.40295	0.3
50.99460	0.3
54.03484	0.4
55.05520	0.3
56.05021	0.6
60.04524	2.8
61.12556	0.3
67.05508	0.6
69.04550	0.7
69.07059	1.1
70.02941	0.5
70.06584	1.5
71.06104	0.6
71.08624	0.4
72.04517	0.5
72.08138	0.5
75.05609	0.9
79.05464	0.6
81.07040	0.8
83.06064	0.4
83.08619	0.4
84.04498	0.5
84.08143	0.8
86.09702	100.0
87.05583	0.4
87.10046	1.3
93.07037	0.5
98.09685	12.3
99.05579	4.2
100.11256	0.5
105.07037	0.4
109.03994	0.4
110.07220	0.3
110.09698	0.6
111.05527	0.5
112.11265	0.4
115.05023	1.1
116.03428	0.5
117.06591	1.8
120.08109	0.4
121.10126	0.4
126.09167	1.2
127.04028	0.6
127.05030	8.0
127.12312	0.8
128.10692	0.7
129.06570	0.6
131.11737	0.4
137.03455	0.7
139.04999	3.5
139.12282	0.4
143.11789	18.1
144.07698	0.9
145.06079	4.9
153.10190	0.5
154.06082	0.6
154.15889	6.1
155.04501	0.4
155.11765	3.4
156.07677	3.6
157.06122	1.0
162.08769	0.5
166.06143	0.8
167.04465	0.4
167.11804	3.9
171.11273	9.5
173.05731	0.5
183.11270	3.5
184.07191	7.5
184.08881	0.4
185.12840	7.6
188.13788	0.6
190.13176	0.4
194.12921	0.6
195.11266	6.4
196.07202	0.7
199.18080	1.4
201.09866	1.1
202.06609	0.5
202.08228	2.8
210.12415	0.9
211.18044	21.9
212.13974	1.3
212.18353	0.8
213.09921	1.0
213.12369	4.0
218.09593	0.4
219.10771	0.4
221.16475	0.5
222.12299	1.5
223.10643	0.4
224.13875	2.0
227.17566	0.9
228.13409	3.1
238.19133	0.5
239.17548	8.8
240.13397	3.0
241.09270	2.0
242.15070	0.6
251.15030	0.6
252.13403	7.6
258.14487	2.8
259.10226	0.8
262.11758	0.5
266.18652	0.7
269.16095	4.9
270.14432	5.8
278.18698	0.5
279.14575	0.7
284.19724	1.8
287.17111	2.7
296.19751	1.9
297.15564	3.2
309.15482	1.8
313.22473	0.7
315.16666	3.1
325.14865	0.5
325.22446	0.4
326.17990	2.5
327.16599	1.4
332.19302	0.7
337.15222	0.7
337.22443	1.1
341.21851	2.0
343.23370	0.7
344.19318	1.6
352.25897	1.2
353.21747	0.9
354.17593	2.1
355.23508	2.6
365.21786	1.6
369.28665	0.7
371.22894	0.5
372.18918	2.1
382.24591	1.1
383.22787	6.4
384.23096	0.5
400.25507	2.6
409.27875	1.8
410.23807	3.0
421.25385	0.7
422.24194	1.6
426.30786	0.9
428.25070	2.2
439.26740	1.5
440.24969	3.2
449.25143	2.3
450.23648	0.7
454.30161	0.8
457.27844	5.4
467.19470	0.7
467.26105	13.3
468.26413	1.3
468.32278	0.7
478.30200	0.8
485.27124	9.7
485.34094	0.6
486.27460	0.8
496.31247	4.4
511.32553	0.5
523.32068	1.0
525.33960	1.4
534.34143	1.2
535.32397	1.6
544.32635	1.0
552.35083	2.9
553.33398	3.8
554.33246	0.5
562.33344	5.4
570.36096	12.8
571.36346	0.6
580.34454	21.7
581.34589	1.7
598.27966	0.6
598.35883	5.1
599.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.7
57.07078	35.5
57.84883	0.5
58.07384	0.6
59.04987	1.0
60.30380	0.6
67.05495	1.0
69.07070	6.2
71.08631	29.1
71.21397	0.7
73.06555	7.7
81.07055	1.7
83.08620	6.4
85.10184	19.4
87.04475	5.8
89.06033	100.0
90.06369	0.9
91.05474	0.9
91.07610	1.4
93.07059	0.8
95.08619	1.3
97.10186	4.6
99.11723	3.6
105.07053	1.1
107.07079	2.4
109.10175	0.7
111.11723	2.5
113.13283	1.1
114.09122	0.7
117.09136	4.5
123.08064	0.6
125.13280	1.1
127.14822	1.9
130.08658	2.6
131.07050	1.2
133.08603	47.9
134.08894	0.9
141.16400	1.1
161.11790	1.7
177.11221	16.6
183.85049	0.6
211.24243	1.9
221.13821	2.1
239.14951	1.3
255.26880	2.2
265.16748	0.6
283.17673	1.4
299.29626	4.6
327.20154	1.7
343.31995	2.8
371.22720	3.8
581.46368	5.7
598.48914	0.8
599.49884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13087	2.5
69.50201	9.9
69.50629	5.8
70.86085	3.1
137.05981	100.0
141.85995	2.7
276.46927	2.9
306.20685	3.1
313.06653	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.1
55.05508	12.3
57.07074	5.9
59.04998	3.9
63.02911	2.2
67.05504	23.0
67.46456	2.1
69.03434	9.7
69.07060	21.7
69.78308	9.5
71.05000	4.0
73.62620	2.0
77.08633	2.1
79.05498	23.5
81.07064	26.3
83.04989	11.2
83.08611	12.7
83.71022	2.1
85.06551	8.3
91.05482	33.2
93.07043	51.8
95.04977	11.7
95.08607	25.9
97.06516	12.0
102.04829	2.4
105.07032	45.2
107.04943	2.8
107.08600	33.4
107.37075	2.3
109.06541	10.4
109.10168	14.1
111.08109	4.5
111.11742	5.5
113.09628	4.2
115.05479	4.3
116.06254	2.8
117.07025	11.8
119.04978	3.6
119.08585	39.2
121.06522	7.8
121.10148	71.9
123.08062	13.2
123.11711	6.6
125.06122	2.7
125.09663	5.6
128.06232	6.2
129.06982	11.8
130.07776	4.4
131.08557	25.5
133.06517	7.1
133.10127	27.2
135.08000	10.5
135.11694	5.1
137.09627	8.2
139.11214	7.4
141.07037	3.0
142.07794	15.1
143.08585	24.9
144.09291	6.1
145.06483	3.0
145.10127	31.5
146.10431	2.3
147.08080	5.8
147.11696	9.7
149.09625	22.2
151.07576	2.5
151.11169	3.5
153.07056	4.1
153.09196	3.0
154.07806	3.1
155.08586	8.4
155.10641	5.1
156.09378	8.0
157.10127	28.8
158.10619	2.9
159.08012	16.9
159.11726	15.8
160.08403	3.5
161.09639	5.9
161.13231	5.0
163.11195	8.3
165.07036	5.5
165.09154	6.0
166.50343	2.5
167.08511	5.3
167.10678	100.0
168.09346	6.7
168.10902	2.7
169.10074	18.4
170.10785	3.2
171.08090	3.4
171.11679	17.2
171.61250	2.2
173.09583	7.6
173.13278	10.1
175.11185	7.9
175.14857	4.5
179.08566	7.7
180.09329	2.5
181.10109	9.0
181.12238	9.8
182.10904	6.8
183.11710	13.7
184.12488	2.2
185.09662	5.5
185.13275	11.8
187.11238	6.7
187.14798	3.9
189.12785	12.6
191.14276	6.1
192.09451	4.2
193.10156	9.1
194.10909	5.7
195.11688	10.5
196.12431	2.4
197.13290	11.0
198.13992	2.4
199.11168	4.6
199.14883	6.5
201.12836	2.6
203.14236	4.0
205.10097	2.9
207.11685	7.6
207.13919	2.4
208.12244	4.5
209.13274	12.9
209.15164	3.9
211.11192	3.6
211.14845	6.6
213.16414	3.3
215.14343	9.1
219.11697	6.4
219.13744	2.6
221.13307	7.9
221.15433	10.9
223.14851	8.7
225.16408	3.2
227.14369	4.1
229.15790	2.4
231.11748	3.0
233.13225	5.3
233.15340	55.2
234.13765	3.4
235.14825	5.3
237.16374	6.4
244.12495	2.6
245.13182	5.0
245.15428	3.3
247.14722	5.4
249.16483	3.7
257.13171	2.4
260.15427	2.8
261.16440	2.5
273.18564	7.2
275.17856	2.4
277.19485	2.9
281.18979	5.1
285.18536	6.6
299.20139	11.8
311.20276	5.8
313.21628	2.5
347.23920	2.6
361.25256	5.0
362.25854	2.1
365.24677	4.8
391.26392	5.9
581.39771	13.4
599.40948	58.3
599.49481	2.5
600.41260	6.2
622.07269	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.4
55.01881	7.9
55.05513	65.7
56.01332	4.5
57.07070	11.8
58.88561	4.2
59.04993	6.9
65.03940	7.2
67.05503	39.2
69.03107	4.8
69.03429	32.1
69.07069	24.9
71.04996	12.3
77.95185	3.7
79.05498	40.9
81.07056	44.8
83.04992	26.6
83.08615	58.9
85.06535	5.5
89.06027	14.4
91.05485	59.5
93.07049	77.1
94.95933	3.7
95.04977	41.6
95.08609	54.5
97.06535	67.3
103.05463	8.0
105.07028	80.8
107.08594	100.0
109.06517	13.1
109.10150	32.9
111.08060	11.3
113.09643	30.2
115.05418	6.6
117.07066	19.8
119.08582	82.8
121.06496	19.5
121.10140	84.9
123.08066	24.9
123.11712	6.9
125.09626	29.7
128.06213	16.2
129.06993	19.6
130.07779	12.6
131.08575	37.3
133.08562	10.4
133.10126	47.3
135.08020	11.3
135.11670	9.8
137.09604	8.8
139.11186	31.0
141.06972	9.9
142.07776	31.3
142.15222	4.2
143.08571	46.8
144.09306	9.6
145.06474	5.9
145.10118	58.7
147.08008	10.6
147.11713	20.1
149.09613	21.3
151.11320	4.0
153.12767	7.0
155.08574	26.5
155.10661	18.1
156.09360	23.5
157.10117	71.7
158.10876	5.5
159.08054	26.5
159.11699	26.0
161.09697	22.0
161.13232	8.8
163.11185	5.8
165.07025	11.4
167.08545	14.3
167.09331	4.4
167.10698	58.7
168.09386	7.4
169.10110	40.9
170.10841	9.2
171.11699	40.2
173.09607	5.0
173.13338	19.4
175.11189	13.1
177.11295	5.4
179.08588	20.8
179.14310	8.9
180.09351	9.6
181.10149	24.9
181.12192	28.9
182.10939	8.3
183.11656	39.8
185.09596	5.9
185.13242	20.7
187.11168	7.8
189.12688	6.3
191.14325	7.5
192.09320	6.3
193.10072	23.4
194.10895	10.7
195.11676	33.0
195.13501	7.7
196.12440	4.5
197.13249	29.3
199.11171	4.8
199.14836	7.5
201.12759	4.8
203.14244	4.3
205.10162	8.2
206.10965	8.9
207.11697	23.0
207.13634	6.9
208.12437	13.7
209.13284	36.9
209.15193	7.3
210.10226	4.3
210.13916	5.9
211.14862	17.9
213.12653	7.2
215.14322	6.5
217.15906	6.5
219.11720	11.3
220.12546	6.8
221.13239	21.3
221.15385	18.0
222.13985	5.4
223.14851	20.5
225.16402	8.7
231.11676	5.2
232.12370	6.5
233.13214	13.2
233.15375	38.9
234.13972	5.3
235.14806	13.6
236.15544	6.5
237.16449	5.9
239.18071	4.7
245.13257	6.5
247.14748	7.8
247.16954	11.3
249.16429	11.7
251.14297	6.0
251.17918	9.6
257.13123	5.5
257.18930	6.3
259.14673	8.8
261.16281	8.9
263.17889	9.2
269.18973	9.5
271.21036	4.6
275.17963	4.5
281.18832	5.3
285.18799	6.7
299.20108	12.2
301.19263	5.9
335.23911	4.4
335.68384	4.3
361.25293	5.0
365.24634	5.4
377.25006	7.2
407.60751	3.8
431.29181	5.1
563.38763	5.7
564.76984	4.3
581.39996	25.4
599.41010	66.2
600.40967	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
54.10712	2.9
55.01872	11.0
55.05510	55.4
57.07064	9.6
59.04997	3.8
64.38996	3.4
65.03938	7.2
67.05505	38.3
69.03424	20.5
69.07064	26.1
70.56145	4.7
70.56470	5.9
71.04988	14.5
77.03929	4.2
79.05488	38.0
81.07064	31.9
83.04980	24.5
83.08620	75.0
85.06551	8.4
87.04478	6.5
89.06026	10.3
91.05477	66.8
91.62549	3.3
93.07043	74.8
95.04982	37.1
95.08610	53.8
97.06526	53.9
97.10163	3.2
103.05460	7.0
105.07024	91.2
107.04948	5.3
107.08593	100.0
109.06527	13.3
109.10157	29.3
111.08078	13.9
111.11783	3.8
113.09621	25.9
115.05423	7.0
115.91378	3.7
117.07005	19.4
119.08574	81.9
121.06501	13.6
121.10138	70.5
123.08064	25.5
123.11717	10.1
125.09637	33.6
128.06201	21.0
129.07001	20.3
130.07773	10.8
131.08562	38.7
132.09448	3.8
133.06505	6.5
133.10124	43.8
135.08057	16.3
135.11671	17.0
137.09630	8.5
139.11166	29.6
141.06998	11.6
142.07777	28.4
143.08540	46.7
144.09332	12.3
145.10124	65.4
146.07278	4.5
147.08067	7.7
147.11688	21.0
149.09636	21.6
149.13283	4.7
151.07507	6.6
151.11252	4.4
153.07013	5.3
153.12770	11.3
155.08617	19.1
155.10625	29.8
156.09377	22.2
157.10126	65.7
158.10843	5.1
159.08061	17.4
159.11684	31.0
161.09633	15.7
161.13255	4.3
163.11171	7.4
165.07001	9.2
165.09135	3.7
166.07695	4.2
167.08545	11.5
167.10669	83.3
168.09415	7.6
169.10133	44.6
170.10887	11.6
171.11684	37.5
173.09729	4.7
173.13194	18.4
175.11221	7.9
177.12726	5.0
179.08598	22.3
179.14270	6.8
180.09340	7.8
181.10109	24.8
181.12206	43.5
182.10854	7.3
183.11694	34.6
184.12407	5.1
185.09686	7.0
185.13272	20.1
187.11183	7.4
187.14742	5.0
191.14311	8.7
192.09322	7.8
193.10164	19.0
194.10951	15.1
195.11702	27.7
195.13789	10.2
196.12338	6.5
197.13293	29.8
199.11153	7.4
199.14844	18.0
201.12738	5.4
203.14297	4.7
205.10016	5.4
205.15889	3.8
206.10927	10.6
207.11720	27.4
208.12381	5.1
209.13272	47.0
210.13847	5.6
211.11214	4.4
211.14867	16.1
213.12608	4.2
214.10637	4.1
215.14320	8.6
217.15897	10.4
219.11684	13.3
219.17403	3.7
220.12437	8.5
221.13248	22.0
221.15395	23.2
222.13969	4.8
223.14778	20.9
225.12772	5.1
225.16344	12.9
227.14352	5.6
230.10641	4.6
231.11754	7.7
232.12482	7.6
233.13222	10.2
233.15305	47.2
234.15904	4.7
235.14877	10.7
237.12843	4.9
237.16452	5.1
239.14291	4.8
239.18071	4.1
243.17564	5.6
245.13127	8.4
245.15437	4.3
247.14729	6.3
247.16988	7.8
249.16388	11.3
255.17203	4.5
257.19135	6.4
259.14703	4.9
261.16330	13.3
263.17914	6.5
265.19681	4.5
269.18936	6.3
275.17865	6.6
279.17477	4.4
281.18927	7.6
282.13977	5.1
283.20590	10.4
285.18506	10.7
286.84766	3.7
289.19653	5.4
299.20197	21.6
303.20990	4.5
307.20175	3.9
311.20126	10.0
321.21985	5.4
341.22739	4.3
347.24081	5.2
351.23334	6.3
364.23648	5.8
365.24573	7.3
377.24863	8.6
383.25760	5.7
413.28021	4.9
431.29556	6.2
507.34399	4.1
541.36438	4.5
581.39838	20.2
582.40680	3.8
599.40723	54.5
600.41132	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	600.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09488	0.8
53.03944	1.0
56.05034	1.3
56.27344	0.9
58.21993	1.0
63.74892	0.9
64.84019	0.9
65.03939	2.1
68.99793	6.2
70.06592	9.8
71.05939	1.5
72.08154	3.3
75.47749	1.0
79.05496	4.4
82.17068	0.9
84.04529	1.1
84.08147	10.1
85.02911	1.2
86.09701	4.6
89.03910	1.2
91.05482	22.2
95.04970	3.4
103.05481	2.9
105.03381	2.5
105.07037	2.6
107.04953	6.4
109.06570	1.7
110.07133	1.3
111.04459	1.1
115.05450	1.2
117.03387	4.1
118.04191	0.9
119.04938	15.5
120.02068	1.1
120.05326	1.1
121.02892	2.0
121.06506	3.9
123.04411	1.0
124.05241	1.3
125.06010	2.7
129.10237	4.9
131.04942	3.8
133.02876	3.0
133.06482	3.3
134.03636	1.4
135.04408	11.5
137.06024	7.8
139.07532	6.0
143.44971	1.0
143.70772	0.9
145.02867	1.4
145.06372	1.2
147.04408	12.6
149.04826	0.9
149.06004	3.3
151.07532	7.2
153.05440	2.6
161.05965	7.9
162.03166	1.5
162.06783	6.4
163.03902	20.1
163.07489	2.7
164.04256	1.1
167.07027	3.5
177.05501	2.8
179.07037	17.5
180.04182	6.8
181.04892	1.4
191.03433	1.2
191.07056	1.0
195.06505	10.7
207.06541	1.9
208.03703	3.0
223.06009	100.0
224.06372	3.2
249.07501	1.8
307.36417	1.1
320.31613	1.0
353.10248	7.1
371.11163	3.8
373.12894	1.1
385.12766	3.3
493.96631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38560	6.9
63.20167	7.0
68.88557	6.6
70.06591	40.0
72.08135	12.9
84.08160	8.5
85.02906	8.8
86.09715	14.4
91.05471	24.0
93.03437	11.1
95.04940	10.5
96.43462	6.9
98.23309	14.3
103.05449	11.4
106.04180	20.0
118.99653	6.4
119.04917	9.1
121.06521	31.0
123.04424	11.0
125.06008	12.5
127.87168	8.1
129.10245	12.5
131.04976	11.6
132.05742	9.3
137.05969	11.3
145.02809	10.4
145.06444	12.2
147.04335	8.0
149.05978	39.2
151.07564	6.8
153.05463	14.8
153.09074	6.4
160.05255	8.0
163.07726	7.2
165.05609	8.8
167.07048	73.9
173.05983	28.9
177.05403	37.9
179.07025	19.6
180.07770	15.1
181.08592	20.7
191.07010	43.6
192.07776	42.0
195.06462	8.4
201.05467	32.8
204.04222	31.7
209.08069	72.9
219.06517	100.0
231.06624	12.6
249.07578	32.3
249.11140	18.7
355.11414	17.1
373.12955	14.7
385.12683	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	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57621	1.2
55.05506	3.6
58.99594	16.0
61.32325	1.2
67.05506	7.7
69.07069	4.2
70.62037	2.9
76.02232	70.1
76.03994	3.0
79.05507	7.8
81.07056	9.7
83.05019	2.2
83.06098	1.6
83.08624	3.0
84.04510	15.7
86.99072	3.2
91.05493	7.0
93.07030	7.4
95.04972	1.9
95.08615	6.6
97.06510	1.3
97.10190	2.2
99.05629	1.5
105.07000	6.5
107.04956	3.0
107.08601	6.0
109.06527	2.5
109.10177	2.1
116.01687	22.4
117.07040	1.6
119.08572	3.1
121.06521	3.3
121.10120	3.4
130.05026	4.8
131.08580	6.2
133.10127	5.3
134.10324	1.4
135.08131	2.7
142.03209	6.8
144.01176	12.9
145.06256	2.4
145.10156	3.6
147.11719	3.4
159.11682	2.7
161.09639	2.7
162.02216	41.6
163.11250	2.9
170.02771	2.1
173.13371	1.9
175.11240	1.6
179.04861	100.0
187.05379	1.6
207.13887	3.5
233.05956	12.8
245.05969	3.5
257.19028	4.4
273.18616	2.6
275.20053	31.7
276.20465	2.0
291.06644	1.8
291.19571	2.8
293.21121	20.5
294.21600	1.5
305.80829	1.3
308.09097	26.8
368.22433	6.5
388.07260	1.4
407.29404	1.3
453.24216	4.7
471.25415	2.1
525.26392	4.3
578.99658	1.6
600.29303	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.4
56.05848	2.2
56.70773	1.5
69.07072	2.4
70.06596	98.6
70.18206	1.8
70.18544	4.2
72.08160	2.4
74.06084	8.0
82.06607	1.9
83.04988	1.7
83.08636	7.2
84.08145	2.4
84.08954	3.0
85.05690	1.6
86.09710	100.0
87.10050	1.9
98.23277	1.9
100.07642	7.4
100.11260	24.7
101.11623	5.3
110.06075	2.2
111.04431	9.3
112.07633	2.7
128.07092	8.5
128.10728	15.8
140.07097	5.3
152.10733	4.1
156.10184	4.4
156.95969	1.5
166.93857	1.5
182.15407	25.0
183.15776	13.0
187.14432	4.6
197.09250	2.7
203.10312	4.8
209.16551	3.3
210.14914	26.0
210.16791	2.5
211.15257	16.9
215.13927	5.2
227.17459	2.1
228.16055	4.4
229.16000	2.1
231.09750	68.6
232.09985	2.0
245.18663	1.9
269.18594	25.4
324.23038	3.6
332.14609	4.7
337.21295	3.0
338.21597	5.2
355.22211	3.8
356.22540	6.6
370.23422	7.9
427.22195	3.2
449.27911	1.9
455.33237	3.0
555.75598	2.5
556.82428	1.6
564.38434	3.1
582.31476	3.3
582.39502	16.4
600.40381	24.1
601.40894	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	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67092	3.6
53.03949	7.4
55.01865	5.3
55.05515	23.6
57.07060	11.3
59.05012	3.7
65.03944	5.7
67.05502	39.7
68.05805	5.0
69.03425	17.4
69.07063	18.7
69.82611	3.3
71.04986	8.4
71.08639	4.6
76.35173	3.8
79.05490	30.2
81.07056	47.9
83.04975	17.9
83.08623	22.4
84.08949	5.1
85.06532	12.7
87.00038	3.6
89.03938	5.8
89.06039	14.5
91.04964	5.3
91.05476	54.7
92.05778	3.7
93.07040	72.4
94.07362	5.5
95.04970	29.9
95.08604	51.9
97.06532	20.4
98.22571	9.5
105.07024	97.8
106.07353	5.1
107.04974	6.5
107.08591	71.3
108.08912	5.2
109.06543	16.7
109.10149	25.1
110.10442	3.8
111.08073	10.0
113.09663	12.4
115.05408	7.9
117.07033	20.2
119.08575	100.0
121.06506	14.7
121.10144	62.0
122.10503	5.8
123.08084	37.3
123.11723	7.2
124.08443	4.0
125.09636	14.5
128.06229	16.2
129.07034	21.5
130.07814	4.9
131.08560	47.9
133.06496	9.7
133.08589	8.1
133.10123	52.8
134.10475	4.9
135.04431	7.2
135.08049	23.1
135.11697	15.6
137.09592	14.9
139.11171	11.9
141.06981	10.7
142.07793	26.5
143.08568	51.5
143.43977	3.6
144.09344	14.7
145.02913	6.0
145.06528	5.9
145.10112	66.4
146.10471	4.1
147.08029	29.5
147.11713	18.7
148.08412	4.4
149.09596	16.9
151.07582	20.8
153.06929	5.1
154.07790	4.3
155.08571	23.6
155.10684	14.2
156.09352	24.9
157.10132	64.9
158.10699	13.1
159.08052	16.3
159.11668	38.5
160.04333	4.4
161.09607	22.4
161.13254	11.7
163.03894	42.2
163.11125	17.7
165.07016	6.4
165.09120	44.6
166.09491	4.4
167.08543	10.0
167.10724	24.0
168.09366	7.2
169.10129	32.4
170.10788	14.3
171.11681	38.9
172.12335	7.4
173.09627	14.5
173.13203	19.3
175.11211	20.5
175.14830	9.4
177.11215	4.3
177.12730	5.9
179.08565	14.1
181.10173	17.3
181.12195	18.9
182.10817	12.0
182.12483	4.2
183.11664	26.0
184.12262	6.5
185.13202	22.8
186.13750	5.2
187.11179	11.1
187.14772	7.9
189.12752	10.6
190.13332	7.4
191.14371	4.4
192.09267	6.6
192.14716	3.9
193.10156	14.0
193.12196	5.7
194.10796	13.9
195.11681	31.8
195.13490	4.9
196.12384	10.3
197.13235	29.8
198.13741	7.4
199.11302	6.4
199.14757	10.7
201.12758	11.7
203.14366	26.4
205.15652	3.8
206.10904	4.8
207.06517	16.7
207.11723	16.5
207.13792	14.0
208.12315	9.5
208.14241	4.6
209.13197	19.2
210.13863	12.4
211.11139	8.3
211.14787	17.2
212.15169	4.4
213.12744	10.5
215.14308	9.8
216.14812	3.7
217.15848	4.0
219.11658	8.8
219.13785	5.7
220.12480	4.2
221.13260	18.4
221.15370	65.8
222.13788	7.1
222.15773	15.1
223.11092	4.4
223.14740	18.7
224.15408	4.9
225.12831	7.1
225.16367	9.9
227.14334	8.2
228.86562	4.6
229.15823	5.4
231.11609	4.2
232.12288	6.6
233.13300	7.1
233.15295	24.9
234.13869	5.9
234.16019	4.7
235.14842	12.8
237.12646	8.5
237.14851	17.2
237.16763	7.7
239.14252	8.0
241.15802	7.5
243.11365	3.7
246.13980	4.9
248.14070	6.8
249.16383	10.9
251.17955	5.1
253.15742	5.4
255.17485	21.7
260.15335	3.7
261.16385	6.9
265.19482	5.0
267.17465	6.2
269.18930	6.3
271.16885	8.5
273.16006	3.7
274.19339	8.5
275.20428	4.0
281.19125	6.8
285.18658	4.1
286.19241	9.9
287.19974	10.4
289.19263	4.1
297.18411	4.8
299.20068	11.3
303.19458	21.2
312.20810	5.9
313.21539	11.4
325.21622	8.6
333.22214	4.2
333.85840	3.5
337.21478	7.3
352.23932	50.4
353.24460	7.8
359.23773	3.8
365.24747	15.1
411.56754	3.6
502.34198	6.6
507.34741	6.2
520.35522	18.0
529.12115	4.3
582.40424	6.0
600.41272	32.0
601.36670	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.05502	12.1
57.07064	11.2
62.15723	6.5
67.05505	31.5
69.03419	17.1
69.07068	21.1
69.52442	37.0
79.05509	34.0
81.07052	25.0
83.04984	29.5
83.08625	15.8
85.06543	13.3
89.06033	29.7
91.05478	56.6
93.07040	48.5
95.04956	20.8
95.08611	35.9
97.06486	7.7
98.22741	11.1
105.07030	100.0
105.38106	6.5
107.08607	54.3
109.06501	20.0
109.10178	34.8
111.08066	7.2
115.05444	9.7
116.56114	6.7
117.06991	26.9
119.08572	75.9
121.06504	12.4
121.10153	51.8
123.08073	25.5
124.93784	11.4
124.94997	6.6
125.09589	9.4
128.06219	14.8
129.07028	31.5
130.07733	9.9
131.08594	44.5
133.08626	9.9
133.10126	56.0
135.08023	15.3
137.09540	8.5
142.07776	19.2
143.08557	59.2
144.09340	13.0
145.10132	61.6
147.08073	8.7
147.11690	24.7
149.09610	15.1
155.08568	20.0
155.10649	12.1
156.09314	23.5
157.10126	67.6
158.10899	12.4
159.08038	16.5
159.11688	39.6
161.09615	20.8
161.13251	7.5
163.03873	12.1
165.07007	13.1
165.09059	12.8
167.08588	15.7
167.10722	10.5
169.10121	30.4
170.10884	11.5
171.11699	44.0
173.09607	10.8
173.13329	19.1
175.11238	14.2
175.14810	10.2
179.08585	18.7
180.09221	6.6
181.10156	23.8
182.10901	16.5
183.11736	31.0
185.09654	7.4
185.13284	24.7
187.11263	9.5
193.10126	14.2
194.10907	8.4
195.11740	27.9
196.12474	6.5
197.09648	8.2
197.13243	24.3
199.11336	8.2
199.14835	16.5
201.12845	7.5
203.14377	13.6
204.08702	6.0
206.10869	9.6
207.11652	17.2
209.13257	31.1
211.11154	10.5
211.14821	19.8
215.14294	12.4
220.12425	10.3
221.13353	13.3
221.15387	19.0
223.14708	11.3
225.12743	8.3
225.16327	10.6
233.13298	13.7
233.15453	18.2
237.16402	12.7
249.16402	7.8
251.18022	9.4
255.17448	28.9
267.17374	9.4
269.18857	7.1
281.19168	11.1
347.23550	10.4
481.22916	15.9
543.95941	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	600.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05511	11.2
57.07076	40.9
59.04996	1.6
62.44265	1.2
65.03933	2.2
66.04710	1.1
67.05511	10.0
69.03425	4.4
69.07072	10.4
69.68115	3.4
71.04995	2.2
71.08629	25.0
72.46128	0.9
73.06549	7.3
79.05482	11.7
80.49075	1.0
81.07054	12.5
83.04968	5.2
83.08620	11.2
85.02924	1.6
85.06545	2.7
85.09667	1.2
85.10183	18.4
87.04464	8.8
89.06032	100.0
90.06335	1.5
91.05481	16.3
93.07046	18.0
95.04966	6.1
95.08607	10.3
97.06517	6.5
97.10168	4.5
99.11740	3.2
103.05421	1.5
105.07026	24.7
106.07328	1.9
107.07100	1.3
107.08585	19.6
109.06509	3.8
109.10163	9.0
111.08096	2.1
111.11714	3.2
113.09666	1.9
113.13261	1.6
117.07040	4.4
117.09105	5.6
119.08585	22.0
120.08955	1.5
121.06500	2.7
121.10144	18.2
121.19756	1.1
122.10461	2.2
123.08088	6.0
123.11715	1.7
125.09618	4.4
128.06218	3.5
129.06992	4.2
130.07790	1.5
131.07092	1.7
131.08565	12.4
133.06522	1.5
133.08595	45.0
133.10104	11.2
135.08060	3.8
135.11708	6.9
137.09628	1.9
139.11168	2.4
141.06985	1.9
142.07799	7.6
143.08583	12.4
144.09186	2.4
145.06473	1.3
145.10127	16.6
146.10455	1.6
147.08037	3.7
147.11702	5.7
148.08783	1.4
149.09598	5.6
149.13272	2.4
155.08548	5.3
155.10643	2.6
156.09317	5.0
157.10130	17.7
158.10753	2.1
159.08047	5.2
159.11682	11.7
160.08562	1.8
160.12009	1.3
161.09642	4.0
161.13248	1.7
163.11232	2.3
165.07135	1.9
165.09035	1.8
167.08490	2.2
167.10689	9.3
168.09290	2.1
169.10130	8.8
169.19525	3.9
170.10809	2.5
171.11707	8.6
172.12283	1.3
173.09567	2.2
173.13260	5.8
175.09755	1.6
175.11214	4.3
175.14771	2.3
177.11235	17.4
177.12737	1.0
179.08607	3.9
180.09315	2.6
181.10130	5.5
181.12256	2.1
182.10867	4.0
183.11673	7.2
184.12349	2.3
185.09662	1.4
185.13231	6.0
187.11130	1.9
187.14822	2.2
189.12721	1.6
191.14229	2.0
193.10136	6.9
193.12123	1.8
194.10860	4.0
195.11667	8.0
196.12360	2.5
197.09569	1.2
197.13249	6.5
198.13681	2.2
199.11296	1.6
199.14833	3.0
201.12762	1.3
205.10255	1.2
206.10924	2.2
207.11697	4.5
208.12346	3.2
209.13234	8.0
210.13885	2.1
211.14758	4.7
213.12621	1.5
213.22311	1.9
215.14287	2.1
216.15126	1.1
217.16058	1.1
219.11697	1.5
220.12358	1.7
221.13541	6.7
221.15437	3.2
222.13908	2.5
223.14848	3.7
225.12759	2.6
225.16293	1.7
227.14322	1.5
231.11734	1.3
233.13284	1.7
233.15337	6.3
234.16019	1.6
235.14793	2.9
237.16429	3.6
238.94933	1.2
239.14670	1.3
243.11432	1.4
245.13132	1.6
247.14810	2.7
247.24034	1.9
249.16467	1.4
255.17416	3.1
257.24747	3.6
261.16296	1.4
263.17957	1.5
265.16418	1.2
265.25232	4.2
269.18936	2.5
273.18533	1.3
281.19122	2.0
282.19565	1.4
283.17453	1.2
289.19342	1.5
295.20853	1.6
301.27374	3.4
303.20953	1.3
339.28906	4.2
365.24820	1.7
415.25351	4.4
467.93918	1.2
470.69171	1.3
505.98099	1.2
509.75900	1.2
547.82300	1.1
582.40222	1.6
583.43469	4.9
600.41272	4.9
601.42377	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	601.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50981	1.2
55.05508	2.1
56.05054	1.8
56.96570	1.7
58.06597	1.3
60.04541	1.3
63.86504	1.1
67.05477	1.5
69.03432	1.3
69.07075	2.5
70.06594	27.3
72.08157	12.6
72.90853	1.0
75.96226	1.0
79.57272	1.1
81.03443	1.2
81.07063	2.8
84.04508	3.2
84.08141	10.3
85.02876	2.5
85.06572	1.4
86.09708	30.0
87.10058	1.6
89.32748	1.1
91.05497	1.4
93.07091	1.8
98.97590	2.2
105.07096	1.3
107.08616	2.5
109.02888	1.5
110.07164	2.8
112.08736	1.7
112.11283	1.4
115.54446	1.1
116.07111	1.1
120.08113	5.5
121.10137	1.2
127.03893	1.3
128.10728	5.1
128.98611	1.2
129.10274	7.4
130.05013	1.6
130.06633	1.1
132.10176	1.5
136.07674	2.3
138.09122	1.2
141.10216	1.6
143.11784	1.3
157.02684	1.7
159.09200	2.6
163.04015	1.5
183.14949	3.3
185.01936	1.1
185.76425	1.1
199.18124	1.5
200.13712	1.3
201.01665	3.6
227.17474	1.5
228.13300	1.4
229.15564	2.0
237.02885	1.5
243.02716	1.4
257.04230	2.7
277.17767	1.8
283.08685	1.4
285.09491	1.4
287.07498	2.8
345.08075	1.6
347.09543	12.1
361.05099	1.5
457.13763	1.4
499.14911	5.1
541.15674	1.8
557.32996	1.7
583.27368	1.4
600.37848	1.6
601.18689	100.0
601.28119	44.4
601.35828	4.7
602.19110	8.1
602.29266	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50981	1.2
55.05508	2.1
56.05054	1.8
56.96570	1.7
58.06597	1.3
60.04541	1.3
63.86504	1.1
67.05477	1.5
69.03432	1.3
69.07075	2.5
70.06594	27.3
72.08157	12.6
72.90853	1.0
75.96226	1.0
79.57272	1.1
81.03443	1.2
81.07063	2.8
84.04508	3.2
84.08141	10.3
85.02876	2.5
85.06572	1.4
86.09708	30.0
87.10058	1.6
89.32748	1.1
91.05497	1.4
93.07091	1.8
98.97590	2.2
105.07096	1.3
107.08616	2.5
109.02888	1.5
110.07164	2.8
112.08736	1.7
112.11283	1.4
115.54446	1.1
116.07111	1.1
120.08113	5.5
121.10137	1.2
127.03893	1.3
128.10728	5.1
128.98611	1.2
129.10274	7.4
130.05013	1.6
130.06633	1.1
132.10176	1.5
136.07674	2.3
138.09122	1.2
141.10216	1.6
143.11784	1.3
157.02684	1.7
159.09200	2.6
163.04015	1.5
183.14949	3.3
185.01936	1.1
185.76425	1.1
199.18124	1.5
200.13712	1.3
201.01665	3.6
227.17474	1.5
228.13300	1.4
229.15564	2.0
237.02885	1.5
243.02716	1.4
257.04230	2.7
277.17767	1.8
283.08685	1.4
285.09491	1.4
287.07498	2.8
345.08075	1.6
347.09543	12.1
361.05099	1.5
457.13763	1.4
499.14911	5.1
541.15674	1.8
557.32996	1.7
583.27368	1.4
600.37848	1.6
601.18689	100.0
601.28119	44.4
601.35828	4.7
602.19110	8.1
602.29266	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.87767	0.4
55.05504	0.9
56.90271	0.4
65.45839	0.4
67.05505	0.7
69.07066	0.7
70.06593	12.5
71.30629	0.5
72.08152	6.0
79.05485	0.5
81.07051	0.6
84.04501	1.5
84.08135	4.1
86.09705	11.2
87.10059	0.5
91.05492	0.4
93.07121	0.4
102.05556	1.1
105.07052	0.6
110.07101	0.5
112.08665	0.4
120.08109	1.9
126.72923	0.4
127.08639	0.8
129.10242	3.0
130.06583	0.5
130.10527	0.4
136.07591	0.7
144.06659	0.4
144.08090	0.7
146.11804	0.5
155.08168	1.0
155.18680	0.3
171.11269	0.6
183.15033	0.6
185.04259	0.6
199.18161	0.5
201.03723	1.0
201.12410	0.6
203.05307	1.4
213.12273	0.7
225.07455	0.7
228.13448	0.7
229.11868	0.7
245.09225	0.5
257.06244	0.4
277.14163	0.4
277.17783	1.7
279.19287	2.2
283.07861	3.3
284.12463	0.6
285.06082	1.0
285.09509	4.7
286.17755	0.6
287.07397	4.4
295.18845	1.0
302.15091	1.0
329.08401	0.9
336.57767	0.4
341.22186	0.5
342.20114	0.4
344.36133	0.4
345.07922	22.7
346.08435	0.8
347.09479	27.6
348.09738	0.8
358.07220	0.4
359.17133	1.2
369.21732	0.5
457.23108	0.7
539.28229	1.5
583.27289	3.6
601.28278	100.0
602.28632	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	601.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.0
55.21846	1.1
56.05042	2.0
59.48522	1.3
60.04518	1.4
60.05656	2.6
61.28677	1.2
62.06088	1.6
69.79979	5.0
70.06594	69.1
72.08156	18.3
82.56400	1.2
83.06127	1.1
84.04515	5.1
84.08144	14.8
86.09705	100.0
87.10025	2.0
94.03561	1.2
95.06111	2.0
97.07666	1.7
98.06057	2.9
98.97603	1.6
102.05553	2.2
102.96823	1.2
110.07185	2.6
112.08736	17.8
113.07119	1.1
115.08649	5.8
116.07110	1.4
120.08086	1.8
124.11260	1.4
129.10254	10.5
132.10243	4.4
140.08200	2.9
141.10287	1.7
143.11833	2.0
143.24835	1.3
144.06575	2.3
147.04430	2.6
152.87610	1.4
157.10855	3.2
157.13394	5.5
162.07652	3.7
168.14926	2.0
169.13377	6.7
171.11359	1.8
171.14897	1.3
190.69853	1.2
194.12917	1.3
196.14578	1.4
197.12846	1.8
199.14409	1.2
199.18051	1.9
206.99005	1.1
211.15550	22.5
228.18280	1.6
239.15079	3.9
245.18596	37.7
246.19032	1.7
296.76773	1.2
404.22815	2.6
584.34491	3.0
600.81189	1.5
601.19501	7.3
601.36755	70.2
602.27966	3.4
602.37079	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
53.64747	3.6
55.05518	28.7
57.03430	3.9
57.07078	29.7
58.07401	7.1
59.93447	4.1
65.03935	4.9
67.05511	36.9
69.03423	11.1
69.07071	31.2
69.34028	12.9
69.34441	12.5
69.41750	3.6
71.08634	21.2
72.08954	4.1
73.19744	3.2
77.03902	5.3
79.05495	37.1
81.07059	44.4
82.07407	3.9
82.56695	3.5
83.04983	21.5
83.08641	17.1
85.06537	7.8
85.10179	5.9
86.10526	4.5
87.04467	10.5
88.04800	4.5
89.06030	63.7
90.06375	11.6
91.05486	65.6
92.05816	3.8
93.07049	83.1
94.07423	5.1
95.04974	26.0
95.08605	39.3
97.06532	13.2
97.10150	3.5
100.54116	4.1
103.05449	5.8
105.04504	4.7
105.07037	100.0
106.07351	9.7
107.08598	72.9
108.08855	5.0
109.06521	17.3
109.10170	38.5
111.08096	7.9
111.11718	4.4
113.09657	5.6
115.04082	3.4
115.05447	7.7
116.06266	4.2
117.07042	23.9
117.09094	5.5
118.09429	4.0
119.08582	99.8
120.08929	5.7
121.06516	10.8
121.10148	76.3
122.10407	4.1
123.08057	17.5
123.11730	8.4
125.09650	12.1
126.19080	4.2
128.06229	14.3
129.07033	17.4
130.07797	8.7
131.08569	43.7
133.06496	6.5
133.08592	27.5
133.10129	60.5
134.08896	7.1
134.10471	7.6
135.08046	15.3
135.11693	19.2
137.09616	10.4
139.11183	5.2
141.07011	11.2
142.07761	28.5
143.08597	45.4
144.09283	10.6
145.06541	4.0
145.10136	75.4
146.10458	5.2
147.08089	9.8
147.11685	22.3
149.09616	20.0
149.13313	4.9
151.07614	4.5
153.07037	5.2
154.07782	7.5
155.08578	20.1
155.10687	7.7
156.09311	16.1
157.10139	57.5
158.10680	5.7
159.08136	17.3
159.11671	38.8
160.12062	6.3
161.09625	17.6
161.13287	10.7
163.11179	8.2
165.07010	6.7
165.09093	7.3
166.07755	3.8
166.09470	4.4
167.08514	12.7
167.10689	54.2
168.09355	7.6
168.11102	5.4
169.10168	26.9
170.10805	8.3
171.11684	37.7
172.12238	6.2
173.09663	3.7
173.13246	22.6
175.11232	11.0
175.14859	15.6
177.11186	7.8
179.08572	15.7
181.10159	20.7
181.12366	3.9
182.10910	9.7
183.11696	26.0
184.12263	6.8
185.13245	25.8
187.14725	7.8
189.12746	5.0
191.14337	10.6
192.09428	3.8
193.10139	15.7
194.10832	10.2
195.11708	22.3
196.12315	10.5
197.13324	21.1
198.14029	3.9
199.11121	6.7
199.14819	11.1
203.14334	8.1
205.15918	4.4
206.10919	6.0
207.11656	16.1
207.13527	4.8
208.12329	9.2
209.13295	21.8
209.15002	4.4
210.13835	7.5
211.14848	12.9
213.12756	6.8
213.16379	9.0
215.14400	11.5
217.15932	5.0
219.11667	6.2
221.13249	11.2
221.15440	17.5
222.13892	8.8
223.14818	14.8
225.12796	5.3
225.16423	8.9
227.14235	3.9
233.13324	7.5
233.15395	32.3
234.15932	4.4
235.14865	9.6
237.16379	11.9
240.15088	3.6
245.13309	5.3
246.13960	7.4
247.14832	6.5
248.15282	4.6
249.16333	8.1
251.18045	6.2
255.17509	9.0
261.16312	4.8
265.15842	4.6
269.19003	7.7
281.18948	5.6
283.20493	7.8
319.24265	4.0
548.29749	4.9
583.41064	5.2
601.42084	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
53.18882	3.6
55.01875	4.0
55.05513	26.2
57.07065	8.1
65.03954	4.2
67.05502	41.4
69.03436	15.3
69.07074	27.5
69.18755	27.5
71.05003	4.0
79.05493	40.6
80.05841	3.7
81.07051	43.1
82.07397	4.6
83.04990	24.8
83.08614	23.9
85.06548	4.9
87.04446	5.1
91.04912	4.6
91.05474	61.6
91.06013	5.0
92.05809	6.1
93.07040	75.0
94.07384	7.3
95.04976	32.6
95.08595	45.3
96.08971	4.9
97.06541	21.3
103.05468	6.7
105.07024	86.5
106.07349	8.1
107.04952	4.0
107.08592	89.0
109.06506	18.2
109.10152	40.1
110.10517	4.6
111.08079	10.2
113.09642	9.7
113.85160	3.6
114.09969	3.2
115.05423	7.0
117.07001	26.2
119.08579	100.0
120.08895	9.9
121.06532	10.5
121.10135	92.3
122.10492	8.0
123.08106	17.6
123.11682	12.0
124.08357	3.3
125.09612	16.5
128.06238	13.9
129.06990	19.4
130.07811	10.0
131.08566	36.0
132.08907	5.4
133.06516	4.6
133.10124	67.5
135.08075	15.8
135.11685	21.9
137.09627	8.5
139.11221	10.5
141.06958	7.2
142.07793	20.4
143.08577	47.6
144.09227	6.9
145.10124	71.5
146.10506	5.8
147.08029	11.2
147.11661	24.1
149.09604	18.3
149.13266	5.3
150.09941	4.2
151.07515	6.0
151.11171	8.2
153.07034	5.1
155.08549	18.6
155.10619	8.5
156.09366	23.9
157.10132	63.8
158.10533	8.2
159.08057	14.9
159.11681	46.6
161.09634	16.6
161.13202	7.9
163.11241	9.8
165.06955	7.8
165.09143	9.6
167.08546	12.6
167.10663	63.7
168.09375	6.4
168.11145	4.3
169.10112	32.0
170.10574	10.4
171.11688	39.4
172.12077	5.8
173.09714	7.8
173.13290	25.1
174.13651	6.3
175.11194	11.5
175.14819	12.6
179.08566	14.2
180.09314	4.2
181.10161	18.2
181.12225	10.5
182.10855	10.1
183.11679	28.8
184.12248	9.4
185.09471	4.8
185.13293	18.0
186.13701	5.7
187.11174	7.7
187.14874	12.3
189.12766	9.1
190.13039	4.2
191.14360	5.9
193.10112	13.6
194.10866	13.1
195.11713	23.1
196.12289	12.4
197.13181	25.5
198.13617	7.1
199.14813	22.1
201.12823	5.4
201.16460	7.0
203.14272	6.2
205.10031	5.1
206.10936	6.1
207.11670	16.5
208.12355	5.2
209.13290	29.0
210.13791	10.1
211.14845	18.1
213.12830	7.3
213.16316	5.9
215.14334	10.2
217.09958	3.7
219.11588	4.3
220.12506	6.5
221.13223	11.7
221.15370	21.8
222.13774	7.8
222.15848	5.0
223.14799	16.5
225.12711	5.3
225.16469	9.6
227.14305	9.7
231.11749	6.5
233.13268	6.1
233.15343	37.0
234.13850	5.7
234.15926	5.4
235.14743	9.6
236.15256	5.0
237.16354	10.6
239.14250	4.4
245.13373	4.4
247.14844	10.2
248.15152	4.7
249.16377	10.7
251.17952	7.2
252.18436	3.8
253.19452	4.3
255.17561	5.4
256.17676	4.5
259.14551	4.5
260.15411	3.5
261.16434	10.3
263.17996	6.8
265.19510	6.9
269.18988	10.2
273.18695	4.7
275.17905	8.4
283.20493	5.7
295.20602	5.2
299.20181	5.0
335.23633	5.2
366.25305	4.6
565.39398	4.2
583.41223	11.6
601.42773	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	4.1
53.03936	4.0
55.05511	25.0
57.03433	3.6
57.07064	13.6
59.05001	3.4
65.03932	5.7
65.95840	3.2
67.05502	33.3
67.85289	3.3
69.03417	15.5
69.07064	26.3
69.15871	30.0
71.04980	4.1
77.03899	4.4
79.05494	29.9
81.07051	41.8
81.62228	3.2
83.04993	10.9
83.08614	13.1
85.06525	8.3
91.05473	52.0
93.07039	76.3
94.07351	7.4
95.04985	17.2
95.08611	38.2
96.08964	6.2
97.06519	18.0
98.23371	5.8
105.07024	100.0
105.11870	3.4
105.41077	3.5
106.07348	6.8
107.08594	67.8
108.08958	5.3
109.06506	17.2
109.10150	27.6
111.08073	6.7
113.09657	6.5
115.05449	8.1
117.06988	18.9
119.08579	98.5
119.09442	4.7
120.08917	4.0
121.06503	15.8
121.10137	76.4
121.11008	4.5
122.10497	8.8
123.08044	18.7
123.11685	12.4
125.05994	5.3
125.09641	12.4
128.06229	16.9
129.07037	18.0
130.07759	7.2
131.08572	46.2
133.06516	5.7
133.10139	52.3
134.10493	5.8
135.08032	18.7
135.11717	18.5
135.69225	3.6
137.09599	9.1
137.39542	3.4
139.11186	8.8
141.06958	11.5
142.07765	26.3
143.08574	40.8
144.09216	7.1
145.10118	78.7
146.10498	8.7
147.08015	18.2
147.11613	17.9
148.08426	3.8
149.09630	22.3
151.07544	6.6
153.06985	5.4
155.08543	16.6
155.10631	7.9
156.09306	15.1
157.10143	52.3
158.10544	13.1
159.08116	16.7
159.11699	40.5
160.08542	3.9
160.12010	4.1
161.09573	11.9
161.13246	9.0
163.11180	10.3
164.11494	4.2
165.06949	10.9
165.09108	28.9
166.09503	6.0
167.08578	11.3
167.10655	35.1
168.09311	7.7
169.10095	26.1
170.10878	11.3
171.11665	40.1
171.43886	3.7
172.12105	7.0
173.09605	10.1
173.13309	21.5
174.13687	5.7
175.11194	13.5
175.14813	14.3
179.08546	9.7
180.09268	7.0
181.10129	20.3
181.12199	10.6
182.10889	11.8
183.11707	25.2
184.12361	8.5
185.13216	22.1
186.13905	4.6
187.11165	6.1
187.14838	10.2
189.12755	11.8
191.14211	6.7
193.10168	13.7
194.10857	13.0
195.11665	27.7
196.12425	5.8
197.13213	24.2
198.13628	6.2
199.14786	12.3
201.12756	7.5
201.16377	3.5
203.14310	10.6
204.14728	6.2
206.10954	5.4
207.11670	14.2
207.13765	7.3
208.12341	5.6
209.05841	3.5
209.13295	31.2
210.13762	9.1
211.11156	4.8
211.14819	18.1
212.15291	5.1
213.12730	6.2
214.13078	3.8
217.10156	4.9
217.15825	4.1
219.11717	6.0
221.13210	12.2
221.15376	37.8
222.13782	7.2
222.15752	10.1
223.14726	18.4
225.12685	4.7
225.16374	9.2
227.14317	5.9
233.13188	9.6
233.15416	22.5
234.13783	5.0
234.15872	5.1
235.14767	12.7
237.16444	8.0
241.15678	3.8
243.17331	4.4
245.13126	6.0
247.14796	6.9
249.16443	8.1
251.17961	5.5
255.17351	4.7
256.17804	5.7
259.14603	6.2
261.16177	4.8
265.15958	3.8
265.19302	3.9
269.18942	12.1
274.19150	4.8
281.18814	6.4
283.20572	4.8
286.19144	5.6
287.19904	5.9
291.21191	4.5
295.20377	6.8
299.20355	4.9
303.19641	6.7
304.19907	7.5
313.21652	5.1
326.22198	4.7
347.23444	3.8
352.24039	7.7
353.24356	16.6
353.45166	3.6
366.25226	7.2
403.90186	3.5
521.35590	8.1
583.41504	7.5
601.42188	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	601.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33480	1.4
53.03935	2.9
55.01345	1.9
55.05517	8.0
57.07072	7.5
59.05004	3.1
60.45368	1.3
65.03960	1.5
67.05497	15.7
69.03431	6.7
69.07068	8.0
71.04999	1.6
76.92617	1.5
79.05503	15.3
81.07056	24.1
83.04976	3.9
83.08630	3.4
85.06551	2.4
89.06066	2.3
91.05476	21.0
93.07040	33.5
95.04975	7.3
95.08614	20.3
97.06561	2.5
102.95241	1.5
105.07024	32.4
106.07379	4.0
107.08597	21.9
107.68105	1.5
109.06513	9.3
109.10150	8.7
111.08086	3.1
117.07024	6.8
118.91749	1.3
119.08572	36.0
120.08964	2.2
121.06499	7.1
121.10133	20.2
123.08056	13.7
123.11753	2.1
125.05944	1.6
128.06226	4.6
129.07019	6.2
130.07835	2.4
131.08574	17.3
132.09337	1.7
133.10118	18.7
134.10461	1.7
135.08051	10.6
135.11696	8.7
137.09624	14.7
139.07506	2.3
139.11168	1.9
141.06976	3.2
142.07797	5.0
143.08571	12.9
144.09329	4.2
145.10114	26.4
147.08022	18.1
147.11703	6.5
148.08409	2.2
149.09653	5.6
151.07523	13.9
151.11192	2.3
155.08560	6.7
156.09328	4.0
157.10118	18.9
158.10652	1.6
159.08061	4.3
159.11684	17.2
160.12025	1.7
161.09608	6.4
161.13268	5.8
163.11163	8.9
165.07057	3.1
165.07616	2.3
165.09106	38.8
166.09453	1.7
167.08525	3.2
167.10678	2.0
168.09264	2.7
169.10091	7.4
170.10892	2.2
171.11662	9.0
172.12115	1.8
173.09674	3.4
173.11874	1.4
173.13245	8.5
174.10196	2.0
175.11201	5.7
175.14833	3.6
179.08626	2.1
181.10185	5.1
181.12227	9.0
182.10910	2.9
183.11716	8.5
184.12248	1.7
185.13280	7.0
187.11198	2.1
187.14832	4.2
189.12737	5.2
189.20708	1.7
190.13481	2.0
191.14320	3.0
193.10133	3.4
193.12196	1.8
194.10852	2.3
195.11681	7.5
196.12492	2.1
197.13284	8.3
198.13757	1.4
199.14821	3.4
203.14349	14.9
204.14651	2.0
207.11757	3.9
207.13866	6.4
209.13258	5.4
209.15170	2.6
211.14861	4.8
213.12773	2.3
213.16406	2.8
219.13745	1.8
220.12415	1.9
221.13345	3.2
221.15346	83.8
222.15689	10.4
223.14880	3.9
224.15657	1.7
225.12717	1.9
225.16426	2.2
233.13295	1.8
234.16206	2.7
235.14699	2.0
235.16817	1.9
237.16504	2.0
241.15746	2.0
247.16907	4.6
249.16237	1.4
267.15588	9.2
274.19260	2.9
285.18549	2.3
286.19196	2.4
287.20062	5.6
299.20111	2.5
300.20724	4.5
301.21747	3.7
312.20575	2.1
313.21622	1.9
323.18338	3.3
325.21591	3.2
326.22076	2.3
337.47552	1.7
352.24051	3.7
353.24487	4.1
365.24930	1.7
367.26422	5.7
428.29117	1.6
440.29312	2.3
441.29636	3.9
457.67136	1.7
491.35248	8.5
509.36215	4.3
520.34998	2.4
521.35535	9.0
522.36401	1.5
550.29437	1.7
583.40991	9.6
601.41040	100.0
602.41614	15.1
603.91937	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.05511	25.1
57.07080	8.8
65.03940	7.2
67.05503	36.2
69.03442	17.9
69.07076	21.5
69.28248	17.0
69.28651	6.1
71.05003	5.5
79.05492	38.4
81.07060	49.6
83.04975	19.9
83.08614	16.5
85.06545	8.4
91.05489	66.1
91.06022	6.0
93.07050	82.1
94.07406	4.6
95.04968	24.3
95.08607	45.2
95.09174	5.0
97.06544	14.3
98.22623	6.4
103.05459	3.4
103.07543	4.1
105.04596	3.8
105.07030	100.0
106.07301	4.1
107.08595	86.3
109.06522	18.4
109.10152	36.2
111.08088	4.8
113.09663	6.1
115.05451	8.7
116.06250	5.8
117.06999	25.9
119.08582	98.1
120.08922	7.7
121.06526	13.6
121.10150	95.3
122.10516	6.5
123.08085	17.6
123.11711	11.3
125.09624	15.5
128.06261	14.3
129.07089	19.7
130.07820	6.2
131.08580	42.9
132.08897	4.7
133.06543	7.4
133.10141	64.0
134.10489	5.2
135.08051	24.0
135.11694	22.1
137.09628	5.8
139.11221	7.9
141.06989	12.7
142.07785	30.0
143.08574	49.1
144.09303	10.5
145.10123	68.3
145.11255	4.6
146.10475	3.4
147.08049	12.4
147.11714	22.1
149.09645	19.1
151.07538	6.8
153.07007	7.1
155.08546	19.2
155.10693	8.5
156.09337	20.5
157.10138	64.4
158.10808	10.1
159.08098	21.5
159.11684	46.1
160.12038	4.0
161.09628	14.7
161.13278	8.4
163.11208	13.2
165.07021	7.9
165.09122	7.2
166.07701	4.6
167.08562	10.8
167.10678	77.5
168.09393	5.9
169.10101	35.2
170.10811	6.7
171.11687	40.8
172.12077	5.1
173.09682	8.3
173.13292	24.9
174.10101	4.2
174.13748	4.3
175.11223	12.8
175.14803	17.9
179.08562	10.4
180.09296	7.8
181.10136	17.8
181.12230	3.3
182.10887	14.1
182.12361	3.7
183.11693	30.4
184.12260	6.4
185.09674	4.8
185.13277	19.4
186.13704	4.9
187.11177	6.4
187.14806	10.6
189.12794	8.8
191.14285	6.7
192.09261	5.7
193.10168	11.2
194.10840	11.4
195.11725	23.4
195.41513	3.4
196.12457	9.2
197.13251	22.7
198.13715	4.8
199.11284	4.4
199.14882	13.7
201.12775	6.6
201.16463	4.9
203.14354	9.3
205.10181	5.9
206.10928	5.2
207.11673	15.9
207.13728	4.4
208.12297	11.1
209.13278	25.1
210.13901	7.6
211.14827	21.8
212.15321	3.6
213.12691	7.1
213.16359	7.4
215.14348	4.8
217.15935	3.9
219.11752	4.7
220.12453	3.6
221.13268	12.4
221.15416	23.3
222.13805	4.7
223.11198	3.6
223.14763	16.9
224.15382	4.4
225.12875	5.9
225.16382	11.3
227.14374	8.8
229.15923	4.1
230.91853	3.1
231.11803	4.0
233.13187	9.4
233.15413	32.6
234.16055	7.6
234.79659	3.3
235.14862	9.1
236.15353	4.0
237.16396	7.3
245.13309	5.0
247.14815	7.3
249.16443	13.2
251.14244	4.1
251.17900	5.8
255.17432	7.4
261.16428	4.3
263.18005	6.8
264.18414	3.7
265.19550	4.3
269.18964	12.2
273.16434	4.0
274.17065	3.9
276.18619	3.7
277.19327	5.1
279.21024	4.6
281.18958	7.4
283.20477	7.1
285.18704	5.5
287.20270	3.7
289.19461	5.9
295.20572	5.0
299.20187	4.6
311.20285	4.8
315.21182	3.7
421.08896	3.4
464.55396	4.2
473.34290	4.9
491.35345	4.5
583.40930	10.7
601.42383	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29774	0.9
53.03940	2.3
55.05519	6.7
57.07067	6.5
59.05001	2.9
59.40951	1.0
60.02226	0.9
60.82766	1.0
60.83072	0.9
65.03947	2.1
67.05502	10.5
69.03433	8.3
69.07063	5.7
70.81705	2.4
71.05000	1.3
79.05487	13.1
81.07060	17.0
83.04985	2.9
83.08640	2.8
85.06567	2.3
91.05480	21.4
92.05802	1.0
93.07046	35.3
94.07301	0.8
94.49468	0.9
95.04974	5.3
95.08606	17.1
97.06549	3.3
103.05474	1.7
105.04550	1.0
105.07035	32.1
107.08596	20.3
109.06532	10.1
109.10159	8.9
111.08079	3.1
113.90250	0.9
115.05503	1.2
117.07018	8.3
119.08587	38.8
120.08913	2.7
121.06477	4.7
121.10136	19.3
123.08069	16.4
123.11724	2.6
125.06000	3.8
128.06223	4.5
129.07010	4.4
130.07802	2.8
131.08569	15.7
133.08653	1.5
133.10133	21.5
133.11057	1.7
134.10526	1.5
135.08058	11.4
135.11713	6.8
137.09625	10.8
139.07591	2.0
141.07019	3.4
142.07799	6.6
143.08572	12.3
144.09337	3.6
145.10132	26.3
146.10605	1.1
147.08047	22.7
147.11711	6.1
148.08542	1.5
149.09645	5.8
149.13260	1.2
151.07553	13.9
153.09138	2.0
155.08595	5.9
156.09413	5.3
157.10138	18.7
158.10873	2.8
159.08118	3.0
159.11694	16.7
160.12155	1.5
161.09605	4.8
161.13278	5.6
163.11171	7.5
165.07002	2.9
165.09114	40.3
166.07774	1.7
166.09494	2.6
167.08578	2.7
168.09358	2.2
169.10144	10.4
170.10904	3.1
171.11690	9.3
173.09698	2.9
173.13248	7.8
174.10403	1.2
175.11253	2.5
175.14815	5.4
176.11763	1.4
177.09128	1.4
179.08652	2.7
179.10657	1.8
180.09315	1.6
181.10204	4.0
181.12234	8.5
182.10970	2.5
182.12602	1.4
183.11684	9.9
185.09674	1.3
185.13266	6.6
187.11197	2.0
187.14821	6.0
189.12752	5.4
190.13615	1.3
191.10797	1.6
191.14334	2.7
192.09442	1.0
193.10204	2.9
193.12218	2.0
195.11707	5.5
195.13577	1.1
196.12473	2.5
197.13275	5.3
198.13762	1.4
199.11186	2.4
199.14848	2.0
201.12750	2.7
203.14316	16.9
204.14838	1.1
207.11719	3.3
207.13849	6.4
208.12355	2.0
209.13339	5.2
209.15343	1.7
211.11293	1.4
211.14781	4.7
213.12823	2.0
213.16466	2.7
213.30144	0.9
215.14301	1.2
217.16014	1.2
219.11732	1.3
221.13402	3.7
221.15356	100.0
222.13861	1.7
222.15701	7.1
223.11237	1.1
223.14894	3.5
224.15222	1.2
225.12744	1.3
225.16318	1.8
227.14337	1.3
229.16043	1.3
231.13867	1.4
233.13333	1.2
233.15344	1.1
234.16138	1.4
235.14886	3.5
235.16916	1.2
237.16406	1.9
239.17975	1.6
245.13397	1.3
247.16966	5.1
248.17467	1.2
249.16353	1.4
259.14563	1.1
260.15475	1.2
261.16409	1.1
265.19623	1.8
274.19290	1.6
281.19006	1.2
283.20535	1.3
286.19418	3.1
287.20206	7.3
289.19479	1.5
291.21225	1.7
295.17090	1.6
297.22092	1.3
299.20111	3.5
300.20737	5.0
301.21692	5.2
311.20139	1.3
312.20978	1.1
313.21594	1.2
325.21487	1.2
326.22101	1.5
338.22025	1.2
340.23871	1.8
341.24738	1.2
352.23987	2.2
353.24503	2.1
365.24881	1.7
367.26300	6.6
368.26749	1.4
375.27002	1.5
378.25256	1.6
379.26367	1.4
393.27908	3.6
398.04950	1.2
440.29272	1.2
441.29428	4.7
455.31006	1.0
491.35092	8.9
492.35220	1.6
509.36218	3.8
521.36053	5.1
583.41345	11.0
584.41675	1.9
601.42383	31.5
602.42859	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
54.01740	1.8
55.05507	8.5
57.07064	6.2
58.05717	1.9
59.05009	3.6
65.03926	3.6
66.40110	1.9
67.05505	17.6
68.05836	2.1
68.09405	1.8
69.03444	9.6
69.07069	6.2
79.05495	16.2
81.07064	23.3
83.04982	3.1
83.08625	4.6
85.06561	3.3
89.06026	2.5
91.05481	29.4
93.07048	35.4
95.04980	10.7
95.08627	23.5
97.06523	3.6
100.52513	2.1
105.06365	4.0
105.07031	37.8
106.07365	3.9
107.08588	22.9
108.08923	3.4
109.06535	6.6
109.10158	13.5
112.78900	2.0
117.07008	7.3
119.07787	3.1
119.08598	47.6
120.08928	3.4
121.06482	4.4
121.10157	23.2
122.07243	2.5
122.10539	2.2
123.08060	17.5
123.11707	2.9
125.05988	3.2
125.09647	4.0
128.06215	4.6
129.06989	7.8
130.07767	5.7
131.08572	18.3
133.06502	3.1
133.10139	19.8
135.08038	10.9
135.11714	6.7
137.09627	15.3
137.36340	1.9
139.11096	2.6
141.07010	3.1
142.07788	8.9
142.25005	2.0
143.08591	13.7
144.09253	3.0
145.10129	29.9
146.10522	3.8
147.08069	21.9
147.11688	7.1
149.09631	5.8
151.07564	16.6
153.09070	2.3
155.08551	6.2
156.09354	9.4
157.10172	19.7
158.10725	3.4
159.08058	3.5
159.11717	20.4
161.09637	5.5
161.13196	5.4
162.10034	2.2
163.11192	7.6
165.09128	51.1
166.09444	2.3
167.08583	4.0
167.10736	3.1
169.10155	10.9
170.10809	2.3
171.11766	11.9
172.12137	2.3
173.09560	3.6
173.13228	4.5
175.11127	3.2
175.14824	6.0
179.08501	3.2
181.10135	6.5
181.12326	5.0
182.10944	3.7
182.12509	2.2
183.11652	9.5
185.13316	8.5
187.11163	2.4
187.14816	5.9
189.12744	4.5
189.51698	1.9
191.14288	2.6
192.11159	2.0
193.10127	5.6
194.10759	4.1
195.11713	7.4
196.12140	3.9
197.13271	7.1
199.14748	2.8
201.12708	3.5
203.14322	17.9
206.10884	2.6
207.11638	3.7
207.13766	5.7
209.09877	2.0
209.13240	6.8
210.13831	2.2
211.11238	2.4
211.14717	5.6
213.16327	3.3
215.14485	2.1
217.10234	2.9
221.13420	4.6
221.15367	100.0
222.15714	7.8
223.14799	2.1
225.16496	2.1
229.12445	2.3
235.14778	2.4
247.14717	2.3
247.17017	3.0
251.14384	2.2
260.23767	2.2
261.16571	2.3
263.14359	2.3
267.41180	2.1
272.77481	2.0
287.20084	6.0
297.22018	2.1
299.20059	2.7
300.20734	3.0
352.23959	2.2
353.24200	4.1
365.24664	2.5
420.67804	2.4
491.35309	4.9
509.35974	4.1
521.36310	9.8
545.11206	2.3
583.41516	8.0
601.42542	25.8
602.42554	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	602.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01868	2.4
55.05507	6.4
57.07084	1.7
58.99580	10.9
59.88708	1.6
64.79732	1.7
67.05508	18.9
69.07062	8.0
70.21477	2.3
70.21803	3.6
71.63092	1.4
74.00658	5.1
76.02232	14.8
76.03979	2.2
79.05497	27.9
81.07066	24.3
82.76416	1.7
83.04984	1.7
83.08611	6.4
84.04498	11.9
86.99063	3.9
88.02216	4.2
91.05489	15.6
93.07047	36.7
95.08607	15.5
95.64487	1.9
97.10170	2.4
105.07033	13.3
107.08601	26.9
109.06487	2.0
109.10155	6.5
113.04295	1.8
116.01684	20.0
117.07005	3.2
119.08569	13.6
121.10168	15.2
129.06819	1.7
130.05014	4.9
131.08549	6.7
133.10129	7.6
135.11685	19.0
142.03200	8.3
144.01170	8.9
144.09419	1.8
145.10152	5.8
147.11696	9.4
149.13277	12.1
159.11702	3.9
161.13252	5.5
162.02190	42.1
163.14848	3.2
171.11723	3.0
173.13243	3.0
174.55589	1.9
179.04855	15.9
185.13274	2.6
207.13788	2.3
224.16432	2.9
231.04378	2.7
233.05913	2.3
241.19493	2.6
245.05914	2.1
259.20605	8.8
275.19977	4.4
277.21640	100.0
278.22012	5.5
295.22723	2.1
308.09070	3.8
309.18701	5.7
335.20111	2.5
352.22952	6.2
370.24179	18.1
417.78195	2.1
420.21802	2.6
438.23059	6.3
455.25970	14.3
473.26889	20.6
524.22815	1.8
527.27692	7.9
553.87036	1.9
584.29938	2.1
594.93536	2.1
602.31195	8.3
603.30377	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	602.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55068	0.2
55.90213	0.3
56.05032	2.1
57.05828	0.4
58.06604	0.6
69.03426	0.7
69.07069	7.9
70.06589	2.3
70.66632	0.6
72.08139	1.5
74.06077	3.2
81.03377	0.3
82.06558	0.3
84.04498	5.1
84.08150	0.9
85.02903	2.3
86.09704	100.0
87.04449	0.5
87.10025	1.6
97.02905	1.0
98.06068	0.5
102.05534	1.9
111.11670	0.4
113.22087	0.2
115.03924	0.9
116.07085	1.4
120.08105	0.6
126.05510	7.5
127.03913	0.8
128.10710	0.3
129.10283	0.5
130.04997	0.7
133.04982	0.8
136.07610	0.3
139.19051	0.3
143.11755	0.3
144.06557	6.1
145.04982	0.6
153.06598	1.0
157.13362	4.3
162.07610	10.8
163.06046	0.3
169.09764	0.8
183.14674	0.3
185.12863	1.1
197.09206	17.3
198.09592	0.6
199.18042	0.8
215.10268	5.8
227.17589	1.2
238.15463	0.5
240.22940	0.3
244.66368	0.3
257.14981	0.4
275.15994	10.5
276.16260	0.6
282.18292	0.7
298.21030	0.4
300.19171	16.1
301.19489	0.6
328.18652	32.1
329.18820	1.5
361.82199	0.3
388.24561	0.5
390.14050	0.3
441.27185	2.4
602.28210	0.6
602.67871	0.5
603.29901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42993	1.1
54.33496	1.0
55.64067	1.1
56.96569	85.8
58.72186	1.1
70.06596	5.4
70.25674	3.3
70.70238	1.3
71.92173	1.2
71.95276	2.1
72.08160	3.9
72.96044	3.3
74.97619	1.5
84.08155	5.0
84.96025	2.1
86.09703	4.0
86.40959	1.3
97.02891	1.1
97.99192	2.1
98.97585	5.0
110.97643	1.8
112.08755	1.3
115.08781	1.2
115.77435	1.0
116.00281	1.4
116.98637	1.8
122.64670	1.1
123.62865	1.1
128.98601	1.7
129.10254	3.5
130.04997	1.2
136.99168	2.1
139.00677	7.9
143.00235	1.8
155.00131	7.8
157.01738	14.9
158.02237	1.3
161.01279	1.2
164.98590	6.1
173.01248	14.3
175.02808	49.4
182.99654	43.4
191.02283	3.5
193.03854	24.6
199.55820	1.1
201.00725	100.0
219.01779	94.8
219.10310	1.2
224.02242	1.5
229.29060	1.3
237.00719	2.6
237.02853	8.5
244.99802	6.4
245.08240	1.6
263.00742	2.2
263.09229	3.5
283.04797	1.3
301.06171	1.5
309.02744	20.0
327.03867	70.2
328.04333	2.6
328.52002	1.3
345.04916	5.5
353.01767	3.3
371.02878	15.5
371.11398	3.9
389.12729	1.4
397.00806	3.4
415.01843	35.0
433.02933	1.3
479.70880	1.4
603.32159	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16695	0.7
69.08212	6.5
70.06587	1.9
72.08153	0.8
75.44588	0.8
82.66837	0.8
84.08129	0.8
86.09745	2.1
90.04764	0.8
129.10260	1.0
159.45686	0.8
185.04298	1.0
344.74905	0.8
425.12366	0.9
440.14484	1.7
441.15137	4.3
554.04449	0.8
603.20465	100.0
604.20728	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	603.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42440	2.0
55.05511	3.1
57.07069	2.3
69.07056	3.9
79.05499	6.9
80.05834	2.2
81.07079	8.3
83.04990	2.1
83.08618	2.4
91.05499	7.5
91.16175	1.6
93.07049	8.4
94.07407	2.0
95.04977	2.5
95.08601	8.3
105.07024	8.4
107.08593	7.4
108.08939	2.3
109.10143	2.8
117.07050	2.7
117.54153	1.8
119.08604	7.2
120.08890	2.1
121.10155	5.7
122.10492	2.8
123.08050	2.8
133.10139	4.3
135.11717	2.9
143.08640	2.2
145.10117	4.4
155.08560	2.3
157.10086	2.8
159.11739	2.5
170.10686	1.7
171.11607	2.4
227.14618	1.8
233.15367	2.0
269.13568	13.0
325.16287	4.8
335.25574	3.2
423.27090	56.1
424.27576	3.0
473.33420	2.1
585.37372	6.7
603.30896	100.0
603.38733	95.3
604.30573	12.7
604.40356	9.4
617.37091	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	603.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17836	7.9
55.05517	8.3
69.81718	17.5
69.82090	12.9
81.74343	7.9
82.28134	7.1
95.08625	7.9
185.03110	7.2
211.72050	8.6
393.09491	7.0
434.20197	8.0
603.36597	100.0
604.36743	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	603.3662
Annotation	Garcinol
Peak:m/z	Relative Intensity
61.88520	9.7
69.07065	12.3
69.09491	76.6
69.97195	8.9
76.49336	10.5
80.43501	11.0
81.07077	14.4
98.22498	14.4
196.09877	10.0
283.14749	11.7
306.62714	11.0
320.85071	11.7
424.90775	12.5
603.36646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54767	1.7
52.79940	1.7
55.01878	2.5
57.03454	3.0
57.15585	1.7
61.02943	2.2
65.03967	2.4
69.03423	4.3
69.07058	2.2
69.62151	10.5
70.06592	44.1
70.71075	1.8
71.06933	3.2
72.08163	17.1
75.74286	2.1
79.05506	3.8
81.03441	3.5
84.04513	3.2
84.08135	8.4
85.02920	7.4
86.09703	27.2
91.05480	8.2
93.07036	2.2
95.04982	2.8
97.02943	2.6
98.23236	2.9
102.05556	3.4
105.07059	2.9
108.08112	2.7
109.02903	5.9
110.07124	2.0
112.08729	2.4
119.04955	12.5
120.08096	17.2
121.02864	46.7
122.03202	2.3
129.10243	5.8
136.07555	4.6
141.01907	1.9
145.02861	6.7
147.04370	4.1
148.07597	5.1
155.08224	2.0
161.02405	1.9
161.06081	2.1
162.05598	2.2
162.09138	4.4
163.03928	4.1
165.01859	3.7
173.06052	2.5
173.12918	2.7
175.03943	7.6
176.07162	1.9
177.01849	3.6
179.03365	2.4
183.90489	1.8
187.03790	2.7
189.01785	11.3
190.08669	3.8
191.03380	6.6
191.07021	2.2
195.02934	7.1
201.01945	2.3
201.12242	3.8
203.03467	14.1
204.04214	2.6
205.04947	2.3
207.02895	7.6
207.06502	8.3
208.09691	14.8
215.03378	3.6
217.01381	2.7
217.05034	9.4
219.02911	5.6
219.06516	28.8
220.06934	2.7
221.04482	3.9
227.03395	4.0
229.05058	4.0
231.02872	4.6
236.09204	7.9
245.04443	3.0
255.02892	2.3
267.06445	3.9
268.07199	5.3
279.06409	9.5
280.07230	3.0
281.08215	5.9
282.05014	6.9
283.06012	19.9
284.06689	6.1
293.08139	5.2
294.05310	20.6
295.06009	78.2
296.06503	12.5
297.07642	12.3
298.07947	2.4
305.08148	3.9
307.06024	75.6
307.09219	2.6
308.06754	31.2
309.04080	2.8
309.07535	36.3
310.07941	2.3
313.07040	5.2
319.06082	11.5
320.06750	6.4
321.07596	44.1
322.08176	16.1
323.05429	6.8
323.08734	4.6
325.07050	41.8
326.20798	4.5
327.21014	4.6
331.06070	2.4
333.07425	12.9
335.05386	8.9
335.09167	30.7
336.06229	7.0
336.09644	3.3
337.07050	40.4
338.07327	3.6
339.08456	4.8
343.08112	2.5
345.07568	8.0
346.07327	5.9
347.05478	4.0
347.08975	9.2
349.07129	28.0
350.07745	5.9
351.08835	6.2
353.06537	4.3
355.08197	6.1
356.09183	6.8
357.07620	2.8
358.07025	2.2
360.05862	2.2
361.06946	13.1
363.08551	16.9
365.06393	4.3
365.10394	3.2
367.08002	13.9
368.08899	5.0
372.09088	3.2
373.06714	9.0
374.06729	7.9
375.08533	8.6
377.06247	3.4
379.08105	13.8
381.09656	8.5
384.08389	4.1
385.08630	2.6
386.06686	2.8
387.08749	4.5
388.08276	2.5
390.09845	10.0
391.08038	15.4
392.08014	2.7
393.09515	3.1
395.11188	2.4
398.15997	6.7
400.08102	22.4
401.06717	8.0
402.09720	5.6
403.08044	11.7
404.07590	7.0
405.09515	2.6
409.09189	34.0
410.09760	4.4
412.08167	7.1
413.07272	3.9
414.15552	7.7
415.08493	2.3
416.11804	2.5
418.09216	57.3
419.09088	5.5
421.08896	10.4
426.09579	3.6
430.09299	25.4
431.08078	7.4
433.09106	3.8
436.10327	42.2
437.10593	3.5
439.10239	6.8
440.11172	2.3
444.10782	4.3
448.10315	22.5
451.10294	6.4
454.11383	54.3
457.11459	2.9
458.12665	2.5
463.10101	3.1
466.11334	74.1
467.11212	6.5
468.11005	2.4
469.11118	4.7
472.10205	13.1
473.10529	2.5
484.12411	27.2
490.11539	17.3
491.11594	3.0
496.10184	5.4
502.11356	4.7
505.11893	2.8
508.12415	100.0
509.12427	8.3
514.11517	5.2
520.12238	8.6
532.12451	28.4
538.13477	37.8
539.13391	4.6
541.13275	3.6
550.13422	53.3
551.13489	8.1
568.14478	53.1
569.15137	5.4
586.15485	26.1
587.15131	3.1
587.42700	2.3
604.19104	6.0
604.30542	4.1
605.27618	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	604.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46787	0.6
55.01877	1.8
56.05024	1.1
57.03430	2.2
61.02904	2.6
65.03957	1.5
66.03468	0.9
68.99788	1.0
69.03412	2.7
69.30785	1.1
69.31186	4.3
70.06591	10.5
72.08142	3.5
73.02911	2.7
74.06089	0.8
80.05048	0.8
81.03429	2.1
84.04498	1.6
84.08131	3.2
85.02911	7.7
86.09704	8.8
91.05465	2.3
93.03397	1.7
94.02921	5.1
94.75170	0.8
97.02894	1.4
98.63484	0.7
103.03949	5.2
103.05513	0.9
105.03384	1.1
107.04967	1.7
109.02866	2.5
110.07162	1.1
118.29916	0.7
119.04947	11.2
120.08117	2.5
121.02868	43.7
127.03927	1.8
129.10252	2.1
131.04977	0.9
132.04388	0.7
136.07539	0.9
142.06488	0.9
145.02844	7.4
145.04984	0.9
147.04401	0.9
155.04884	1.1
158.05962	1.1
159.09186	1.2
160.03986	1.6
161.02341	2.0
163.03894	3.5
165.01848	2.1
170.06084	1.3
175.03972	1.9
176.01059	3.1
177.01855	2.7
179.03412	2.7
182.05972	0.8
187.03902	1.4
189.01831	10.0
190.02625	2.0
191.03333	3.4
194.02133	1.0
195.02861	5.2
197.04422	0.9
198.05519	1.7
201.01881	2.2
201.05540	0.9
203.03404	9.6
205.04968	0.7
207.02853	5.8
209.04445	1.6
210.05498	1.7
213.01849	0.9
214.05136	0.8
214.99835	1.0
215.03342	2.6
217.01384	1.6
217.04994	2.9
219.02921	5.1
221.04494	2.4
226.05058	2.1
226.99757	1.0
227.03442	3.0
228.06471	1.1
229.01392	1.2
229.04915	2.4
231.02901	3.2
233.04422	1.4
236.06804	0.8
238.04991	2.7
239.03419	1.7
240.02963	1.7
241.05063	1.1
243.02913	1.1
245.00873	2.5
245.04520	2.0
247.02371	1.0
249.04048	1.0
250.04935	0.9
254.01846	0.7
254.04414	1.4
255.02853	1.7
256.06171	1.3
257.04504	2.4
259.05826	0.9
264.06741	0.8
266.04669	2.6
267.06592	2.9
268.07269	3.2
278.05597	1.0
279.06555	4.3
280.07156	2.1
281.04410	0.9
281.07959	2.3
282.03860	5.5
283.06009	12.7
284.06558	3.0
291.06509	1.4
292.07285	3.0
293.08038	2.3
294.05249	24.3
295.06012	48.1
296.06564	7.9
297.07556	10.0
298.08389	1.6
300.05078	1.7
305.07953	1.9
307.05991	56.7
308.06668	15.9
309.04120	1.2
309.07492	13.3
310.08105	1.3
311.05576	1.0
312.05338	1.5
313.07071	4.3
317.08151	2.0
319.06064	9.3
319.09457	1.5
320.06598	7.9
321.04099	1.1
321.07526	22.4
322.08093	3.6
323.05490	3.2
323.09186	2.3
324.06235	1.0
325.07037	28.4
326.07498	2.9
328.09711	0.9
329.08014	1.4
330.07642	1.4
331.06049	2.9
332.06714	2.1
333.04092	1.8
333.07526	6.5
334.08408	2.4
335.05469	3.6
335.09201	6.7
336.06201	8.5
337.07034	28.0
338.07422	2.1
339.05264	1.3
339.08737	4.7
344.09314	1.4
345.03867	3.1
345.07645	5.4
346.07556	3.2
347.05481	2.2
347.09137	5.5
349.07050	21.3
349.11124	1.6
350.07544	3.3
351.08588	3.6
353.06418	1.5
355.08057	2.5
356.09192	6.7
357.07413	6.6
358.07413	3.1
359.08371	2.9
360.09177	1.3
361.06952	8.8
361.10959	1.2
362.10498	1.6
363.04813	6.2
363.08740	5.2
365.06619	4.1
365.10574	1.5
367.08194	5.6
368.09158	8.3
370.07150	0.8
371.09286	1.1
372.08731	3.1
373.06598	4.3
374.06134	7.1
374.11111	4.7
375.04398	1.4
375.08710	5.1
376.08374	0.9
377.06180	3.8
378.07184	0.9
379.08112	6.2
381.06091	1.1
382.06912	0.9
384.08646	10.2
385.07217	2.3
386.06271	4.5
386.10876	1.2
387.04562	1.7
387.08966	1.2
388.08359	3.7
389.06647	2.4
390.09851	3.0
391.08087	7.5
393.09833	2.3
394.06915	1.1
396.08337	0.9
398.10281	2.0
399.08777	1.3
400.08170	25.6
401.07138	3.9
402.09726	11.8
403.07947	4.3
404.07571	11.8
405.09152	1.1
406.09229	2.5
407.07614	1.1
409.09399	4.2
410.10278	1.7
412.08084	21.0
413.06369	9.2
414.10120	3.7
415.08374	1.0
416.11703	0.9
418.09183	14.1
418.14435	1.0
419.09048	1.4
421.09134	4.5
422.10101	1.6
424.09933	2.8
426.09644	4.4
427.10342	5.5
428.07257	4.2
430.09210	47.5
431.07483	12.2
432.07465	1.8
436.10239	2.9
439.10123	5.3
440.11148	3.1
441.10162	0.8
442.09460	3.9
443.07996	0.8
444.11011	2.0
445.09552	1.0
446.09088	0.9
448.10297	49.6
449.10452	4.8
454.09222	8.7
455.07657	5.6
457.11365	1.6
458.08521	1.6
460.10416	3.8
463.10300	1.3
466.11337	100.0
467.11877	7.2
468.11020	1.8
469.10803	1.4
470.09033	1.2
472.10251	30.9
472.17017	1.5
473.10281	2.1
475.12210	2.1
478.10153	1.5
484.10883	10.0
487.12198	2.0
488.09814	2.0
490.11374	7.1
496.10205	7.0
497.10089	2.2
502.11227	6.5
506.11151	4.0
514.11273	9.3
515.10376	2.8
520.12152	2.6
523.11774	0.9
532.12366	19.7
533.11340	4.1
541.13428	5.7
550.13403	90.1
551.13672	11.2
559.14014	1.2
568.14435	46.8
569.14740	4.4
586.15552	19.0
587.15881	2.6
604.17181	5.8
604.29980	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	604.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.6
55.01875	7.3
55.05512	20.3
55.09795	5.5
57.03432	8.4
57.07067	7.6
57.22044	5.7
58.17205	5.9
65.03935	9.0
67.05505	63.9
69.03425	32.5
69.07063	16.2
71.04994	6.8
71.30559	7.5
73.00308	4.9
73.02905	9.0
79.05495	54.7
81.03424	40.7
81.07046	61.3
83.05000	8.6
83.08604	12.0
85.02907	19.0
86.91416	5.2
87.04440	5.5
91.05490	53.8
93.07053	72.1
95.04942	5.8
95.08611	58.0
97.02892	22.4
103.03948	10.9
105.07017	40.1
107.08572	36.1
108.04482	32.0
109.02875	16.1
109.10160	22.8
111.04424	9.4
117.07026	22.3
119.04955	23.8
119.08571	37.8
121.06502	13.4
121.10133	31.2
123.04475	6.9
123.11707	8.0
126.05547	10.0
127.03928	7.2
128.06161	5.7
129.07016	11.6
130.07765	5.8
131.08571	20.1
133.10115	15.4
135.11690	21.2
143.08617	16.2
145.10159	22.7
147.04410	100.0
147.11787	13.9
148.04730	6.8
149.13232	6.4
155.08496	7.2
157.10072	13.0
159.11690	15.8
161.09593	6.8
161.13283	12.0
163.11128	5.9
165.05493	8.1
171.11736	13.0
173.13298	8.1
174.13593	7.1
183.11629	9.1
185.13385	11.8
199.14883	6.0
217.33295	5.9
219.98631	5.6
229.72647	6.3
236.04659	5.5
261.22165	13.7
277.14627	6.0
289.21442	6.1
301.21417	6.4
303.23123	12.4
310.51645	5.4
353.77829	6.2
369.24152	13.3
379.28229	10.3
387.25183	15.1
400.59628	5.5
405.26373	10.4
406.89825	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	604.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05512	11.6
56.05044	3.7
57.07077	9.2
58.03561	0.8
58.06601	0.7
61.94787	0.7
63.61648	0.6
67.05139	0.7
67.05502	13.0
69.07070	22.2
70.06580	1.7
71.08635	7.6
79.05492	11.5
80.05016	3.7
81.05782	0.8
81.07056	10.8
82.06576	5.0
83.08616	17.5
85.10177	5.7
87.04461	0.7
89.62962	0.7
90.89979	0.6
91.05488	9.9
93.07040	12.4
94.06567	16.6
95.04971	1.6
95.07342	4.1
95.08604	8.6
96.08126	2.3
97.10171	28.0
99.11731	0.9
100.20242	0.7
105.07030	7.1
107.08587	6.1
108.08122	1.9
109.10200	3.8
111.11723	14.1
119.08562	6.1
121.10123	5.7
122.09648	1.9
123.11691	1.0
125.13256	5.8
133.10114	3.5
135.10645	0.8
135.11681	4.0
136.11235	0.8
139.14836	2.5
147.11696	1.5
149.13286	0.9
153.16399	1.2
155.18085	0.7
183.27859	0.8
191.17885	0.9
219.21165	0.7
233.22630	4.0
237.25836	1.0
245.22687	2.1
250.25276	14.3
262.25299	100.0
263.25720	5.2
280.26331	9.1
297.27856	1.7
300.29001	2.0
514.49951	2.5
532.50507	2.3
544.51355	1.3
574.51642	1.3
586.51270	1.7
590.27869	0.8
604.53186	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	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88632	0.6
67.05508	1.0
71.06755	0.8
71.07102	0.7
71.66031	0.6
74.84710	0.6
81.07084	0.9
86.84679	0.7
95.08624	0.8
97.88654	0.7
98.23376	0.6
107.08569	0.8
110.09418	0.5
143.14442	0.7
252.81868	0.7
401.17734	0.9
413.17542	1.1
414.18451	1.3
415.19180	4.4
416.19885	1.6
417.20917	1.4
428.19955	1.0
429.20767	6.8
430.21463	4.2
431.22168	1.4
443.22726	3.5
444.23621	5.4
445.24237	3.4
448.26624	0.8
458.25101	3.4
459.21262	2.0
459.25684	2.6
471.22238	0.9
472.22614	3.7
473.23376	5.4
474.24142	2.5
477.12503	0.7
485.23392	3.2
486.24045	2.0
487.24915	21.7
488.25705	3.2
501.22498	0.7
503.24408	1.8
517.25885	2.6
545.25439	16.6
546.26135	4.6
573.24927	1.9
605.27557	100.0
606.27905	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	605.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13984	26.9
55.05514	40.5
57.66491	25.5
65.27943	23.5
67.05501	86.9
69.07059	51.0
71.30736	38.9
79.05495	55.6
81.07067	100.0
81.61362	31.6
82.07323	26.9
93.07063	63.9
95.08619	75.1
97.06545	32.6
105.07051	31.2
107.08560	24.9
121.10191	28.8
198.08191	28.6
215.51079	27.4
291.31903	30.0
296.18338	40.0
313.27536	52.5
335.25851	93.4
349.23483	37.6
608.46539	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50206	0.5
55.05505	0.7
56.05032	1.1
60.05655	0.6
64.27789	0.5
69.03405	0.8
69.07058	2.2
69.36007	1.2
69.36422	2.6
70.06593	80.5
71.04995	1.4
71.06926	1.4
71.07291	0.6
72.08155	9.0
74.06064	0.8
75.05619	1.6
82.06567	0.7
83.06113	0.8
84.04506	1.7
84.08141	7.9
85.02896	1.4
85.07672	1.0
86.09702	22.6
91.05518	1.3
91.96847	0.5
93.07081	0.9
94.06536	0.8
95.06116	3.4
96.08088	0.5
97.02875	0.9
97.07712	0.6
98.06062	0.7
102.05520	1.7
103.05489	3.0
109.02911	0.7
110.07176	3.0
112.07575	1.1
112.08733	12.5
113.07141	4.3
114.10348	0.8
115.08696	12.9
116.07120	0.6
117.53799	0.5
120.08106	100.0
121.08464	2.0
124.08704	0.9
127.03925	1.4
127.08673	2.5
129.10249	4.9
130.06531	0.8
130.08620	0.5
136.07603	0.7
136.08710	1.1
140.07159	0.9
140.08168	4.9
145.02878	0.6
152.08174	1.8
155.08203	1.8
159.09166	0.9
169.11006	0.6
169.13396	9.9
172.10814	5.7
173.12895	0.8
177.05522	0.6
177.10226	34.2
178.10605	1.0
182.09351	0.7
182.16542	0.5
186.09155	0.8
189.12260	2.9
197.10371	8.4
197.12883	7.1
199.08734	1.5
205.09718	9.3
208.14552	0.7
210.16144	1.0
225.17130	3.8
233.11433	1.2
249.12338	1.6
262.12003	0.8
264.19540	1.2
277.11847	1.5
282.20728	1.7
310.18527	0.6
328.19937	0.9
330.16595	13.8
330.20319	1.0
331.17038	0.7
344.17267	2.1
349.26077	0.6
383.18112	0.8
385.21762	0.5
389.87503	0.7
390.22409	0.7
401.19244	2.5
418.21921	5.1
444.26010	1.7
486.27859	1.0
502.41022	0.6
503.31058	1.0
514.27734	1.7
531.30682	1.2
571.29932	1.3
589.31354	1.0
606.33539	99.2
606.81952	0.9
607.33929	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	606.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67806	0.4
55.05510	2.1
56.05036	0.6
57.05795	0.5
69.03436	0.6
69.07059	0.6
69.48346	1.0
69.48750	1.5
70.06596	4.8
72.08153	25.5
73.02927	0.5
73.08511	0.5
81.03412	0.9
81.07061	0.6
84.04500	0.8
84.08134	2.2
84.70969	0.4
85.02885	0.8
85.06529	0.6
86.06634	0.4
86.09704	19.2
87.10012	0.5
88.03979	1.2
91.05489	2.7
93.07048	1.2
95.08588	0.9
96.08134	0.5
98.02414	0.6
99.04460	0.4
99.20842	0.4
100.03983	0.9
103.05464	4.1
105.07004	1.0
107.08649	0.5
116.97262	0.4
117.07093	0.6
118.06916	0.6
119.04931	1.6
120.08101	100.0
121.08433	2.9
124.07531	0.5
127.03870	1.0
129.10226	0.7
132.10210	1.7
138.09096	0.9
141.10213	1.6
145.10162	0.5
146.19896	0.5
147.04437	1.5
149.08322	0.4
156.10217	2.2
161.09627	0.5
175.03891	2.1
183.11330	1.6
184.09761	0.9
187.10851	0.5
188.14302	0.5
201.12340	15.2
202.12624	0.5
207.06520	5.8
215.10197	0.8
219.14911	18.9
220.15291	1.1
229.11807	10.9
238.10760	2.4
245.18634	2.2
247.14400	9.4
248.14632	0.6
279.16846	0.4
287.21155	0.7
315.20599	0.5
327.56219	0.4
328.18631	1.2
342.20190	1.1
360.21347	1.6
362.17065	28.2
363.17380	2.1
376.18921	1.1
447.26056	5.2
469.26373	0.5
475.25452	2.9
606.29047	0.5
606.38953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01867	4.0
55.05514	27.3
65.99283	3.6
67.05506	28.1
67.35947	3.0
68.47723	3.0
69.03391	4.5
69.07057	10.4
70.44925	4.3
70.45250	6.2
79.05489	21.8
81.03423	5.0
81.07056	57.9
83.04977	7.5
83.08621	16.4
91.05503	10.5
93.07049	16.6
95.04947	9.1
95.08607	15.7
97.10176	16.1
105.07020	8.8
107.08610	16.5
109.06527	5.7
109.10154	7.6
111.04442	12.0
111.08064	6.6
117.07009	10.2
119.08601	23.4
121.06496	5.7
121.10154	6.2
123.08067	13.4
125.09621	14.7
131.08565	8.6
133.10110	4.1
135.08086	3.6
135.11681	5.1
145.10158	8.8
147.08015	7.4
147.11729	4.0
149.09631	4.3
153.09160	4.2
153.12660	5.4
159.11595	3.6
161.09593	3.4
163.11188	7.3
165.09158	7.0
181.12267	7.4
189.11227	18.6
191.10747	4.4
205.12184	3.5
223.13324	4.5
227.12845	10.3
273.18457	16.4
288.52756	3.2
291.19504	100.0
292.19910	6.1
309.20602	12.0
312.87354	3.7
408.73386	3.2
452.35153	3.5
547.26935	3.3
553.42322	7.6
571.43384	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	607.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68203	2.2
70.06593	18.4
81.29522	2.6
84.04520	3.4
84.08162	6.6
86.09736	3.5
94.43864	2.3
110.07182	2.6
118.06886	2.4
120.08162	4.4
129.10274	2.8
156.77554	2.3
290.95667	2.6
396.49753	2.6
607.18036	100.0
607.32953	5.8
608.18359	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.47602	0.3
69.11494	2.4
80.64397	0.3
99.75295	0.3
115.20358	0.3
121.19280	0.3
140.54987	0.3
194.60194	0.3
205.42661	0.3
209.10823	0.4
249.10353	0.3
322.13339	0.3
375.16162	0.6
377.17670	0.4
387.16010	0.8
388.16833	1.1
389.17670	2.7
390.18417	1.3
391.19287	1.1
401.18011	0.5
402.18600	0.8
403.15964	0.5
403.19528	3.6
404.20044	1.7
405.20728	3.3
406.21408	0.4
415.19629	0.4
416.15771	1.5
417.16199	3.7
417.21249	1.8
418.17581	1.0
418.21622	1.1
419.22427	5.9
420.22910	1.1
429.16693	0.4
430.17715	0.6
431.18326	6.8
432.19086	3.5
433.20047	3.0
434.21042	0.4
435.21808	0.4
443.18524	0.4
445.20242	4.8
446.20920	6.9
447.21594	6.8
448.22681	1.4
449.19992	0.3
459.17099	0.5
459.22040	1.1
460.18457	0.8
461.19803	1.2
463.25208	0.6
473.19388	0.9
474.20474	4.3
475.21176	4.7
476.21371	0.5
477.23102	0.6
478.23477	0.8
487.21106	1.5
488.21790	0.4
490.23969	0.6
491.19949	2.5
501.23114	0.7
505.22562	0.9
519.23999	12.2
520.24402	1.8
547.23358	9.0
548.23877	1.5
551.26086	0.7
579.26166	4.3
580.26318	0.6
607.25458	100.0
608.25806	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79531	0.7
68.46977	0.5
76.52570	0.5
79.05450	0.5
90.17186	0.5
168.08215	0.6
209.10751	0.8
229.85358	0.6
352.14661	0.6
374.15363	0.6
375.16138	1.2
376.17410	0.6
386.16687	0.6
387.15985	1.0
388.17041	1.4
389.17599	5.4
390.18079	2.4
391.19275	1.0
401.17935	1.2
402.18317	1.9
403.19308	8.2
404.20181	3.7
405.20703	3.9
406.21039	0.7
415.15314	0.8
416.16138	1.6
417.16098	5.5
417.21207	2.7
418.17664	2.0
418.22156	1.0
419.18140	0.6
419.22455	7.9
420.22852	1.5
429.21722	0.7
430.17883	2.1
431.18192	10.3
431.23837	0.9
432.19077	4.5
433.20065	4.7
434.20834	1.1
445.20209	8.2
446.21002	9.0
447.21686	12.4
447.27167	0.8
448.22101	1.8
459.17871	2.1
459.22513	1.8
460.18448	1.6
461.19888	2.3
463.25314	1.4
473.19931	1.7
474.20349	12.3
475.21140	14.5
476.21649	1.3
487.21326	3.3
488.22147	0.8
490.23685	1.3
491.20792	1.9
491.25394	0.8
501.23013	1.9
502.23459	0.6
505.22397	1.2
512.48859	0.5
518.23584	0.7
519.23969	14.8
520.24237	2.0
529.22205	0.8
532.20819	0.8
547.23401	69.0
548.23676	9.8
561.24884	1.3
579.25842	4.4
580.26764	0.9
589.24524	1.4
607.25470	100.0
608.25720	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87226	0.3
69.12986	2.5
75.51408	0.3
77.91667	0.3
80.81660	0.3
110.37447	0.3
110.67070	0.3
166.86359	0.3
196.09824	0.3
222.11630	0.3
223.12320	0.4
324.14990	0.4
373.15012	0.4
374.14987	0.5
375.16183	1.0
376.17194	0.4
377.17636	0.6
387.16180	0.6
388.16858	1.0
389.17627	2.8
390.18417	1.2
391.19241	1.5
401.17719	0.9
402.14246	0.6
402.18634	1.0
403.19482	4.9
404.20029	2.3
405.20898	3.4
406.21255	0.7
407.22562	0.3
415.19589	0.6
416.16394	1.1
416.20926	0.5
417.16318	4.2
417.21268	1.7
418.17706	1.2
418.21747	1.2
419.22479	6.1
420.22903	1.7
429.16940	0.4
430.17499	0.5
430.22485	0.3
431.18350	8.1
432.19064	4.2
433.20096	4.3
434.20657	0.4
435.22125	0.4
443.18796	0.4
444.19366	0.4
445.20288	5.6
446.20993	8.6
447.21680	11.7
448.22653	1.6
458.20972	0.4
459.17560	1.1
459.22061	1.6
460.18759	1.1
460.23627	0.5
461.19489	2.0
462.24982	0.4
463.20700	0.6
473.19376	1.0
473.24271	0.6
474.20349	5.3
475.21075	6.2
476.21753	1.1
477.23114	0.7
478.23669	0.9
487.21530	2.1
488.21909	0.5
490.23737	0.9
491.20044	3.7
492.21286	0.4
501.23062	1.4
502.23471	0.5
504.21750	1.0
505.22388	1.0
506.22360	0.6
518.22552	0.5
519.24072	17.9
520.24335	2.2
535.23285	0.4
547.23352	12.5
548.23730	2.1
551.26746	0.6
561.24329	0.5
562.59760	0.3
570.47858	0.3
579.25970	6.1
580.26215	0.9
607.25470	100.0
608.25775	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.81868	1.1
55.05512	2.1
57.07072	2.7
58.91004	1.3
59.43319	1.0
67.05508	3.6
69.07085	1.5
69.27827	7.9
71.08633	4.8
74.61282	1.3
79.05497	1.7
81.07068	5.4
83.08629	1.2
91.05479	2.3
93.07063	3.3
95.08614	3.8
105.07037	1.4
107.08633	1.3
109.10159	2.2
119.08465	1.3
121.10131	2.6
135.11716	2.1
179.14369	5.0
199.77940	1.3
237.72992	1.1
277.21667	5.4
313.27481	3.6
351.25504	1.6
361.39230	1.4
403.19107	3.4
417.21057	2.8
418.21481	2.9
419.22412	4.5
431.17972	7.6
432.19180	2.5
433.23749	6.4
434.24585	2.3
445.19409	7.8
446.21075	5.5
447.21780	4.8
459.21710	4.1
460.22488	12.9
461.23242	13.2
462.23334	1.6
473.23520	2.9
474.23648	1.6
487.25110	1.7
505.22601	3.8
547.18799	1.8
547.27057	34.3
548.28088	6.1
575.26031	2.0
589.48364	4.9
607.29144	100.0
608.29596	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	607.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88111	0.5
58.24480	0.6
70.54909	1.4
92.38218	0.5
163.02266	0.6
180.57846	0.6
223.55907	0.6
352.38904	0.6
387.15903	1.3
388.16779	1.3
389.17810	2.3
401.18149	1.0
402.18262	2.0
403.19229	7.0
404.19910	1.3
405.20908	2.8
406.21515	0.6
414.19553	0.8
415.19370	1.6
416.20129	2.2
417.21448	6.1
418.21573	3.7
419.22427	6.4
420.22778	1.3
429.21268	0.8
430.17703	2.2
430.22400	1.1
431.18109	13.3
432.18619	3.4
433.23938	17.1
434.24713	2.9
444.18839	1.3
445.19846	17.2
446.20709	9.2
447.21600	7.1
448.22061	0.9
459.21454	8.3
460.22546	24.2
461.23276	28.5
462.23926	2.5
473.23761	6.0
474.24146	3.6
477.22778	1.5
487.24942	2.9
488.25769	0.9
491.24866	0.9
492.25555	0.8
505.21509	3.9
506.26871	0.9
515.24078	0.9
519.23816	1.9
519.27570	2.7
520.25098	0.7
532.24756	2.0
533.25574	0.9
547.27026	72.9
548.27350	9.9
573.82831	0.7
575.26563	2.1
579.29962	1.7
607.29132	100.0
608.29419	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	607.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01867	4.4
55.05517	5.7
57.03419	1.1
57.07080	12.9
67.05505	8.8
69.07067	7.0
71.08297	0.7
71.08639	8.5
79.05504	6.3
81.07055	31.8
82.07400	0.8
83.04961	2.6
83.08614	5.0
85.10182	4.4
91.05459	2.4
93.07027	3.9
95.08038	1.1
95.08605	11.4
97.06514	1.1
97.10184	1.4
98.22443	1.4
98.23116	6.1
101.09719	0.8
102.52497	0.6
105.07026	2.8
107.08598	4.7
109.06523	9.0
109.10166	4.0
111.04443	15.0
119.08585	4.2
121.10133	4.4
123.08044	0.9
123.11700	4.2
125.06007	4.3
131.08553	1.9
133.10141	4.0
135.08043	2.7
135.11661	5.5
137.05977	100.0
137.13245	3.0
138.06328	3.0
139.07556	0.8
140.50813	0.8
143.08606	1.4
145.10098	1.5
147.08060	1.9
147.11708	4.9
149.09612	4.2
149.13222	1.2
151.07553	2.9
151.11104	1.0
157.10185	1.7
161.09587	5.8
161.13303	2.3
163.11189	2.9
165.09145	2.0
167.10641	0.7
171.11694	1.1
175.11211	5.6
175.14806	0.9
177.09207	0.9
179.10722	2.4
189.12779	1.8
190.77003	0.7
193.12267	1.4
203.17953	8.2
213.16431	3.3
221.19048	2.1
223.14815	1.0
231.17438	10.1
241.15924	1.7
249.18510	12.5
250.18822	0.9
277.17981	81.4
278.18271	3.9
295.19009	16.0
296.94852	0.9
313.27356	28.3
313.30960	1.4
314.27777	2.2
324.71091	0.8
351.21680	10.2
351.25500	0.9
352.22217	0.9
403.19080	0.9
412.06525	0.8
418.20993	0.8
431.18402	1.0
433.24066	2.3
445.20105	1.1
446.21030	1.5
459.21722	0.9
460.22702	2.5
461.23340	3.3
547.27142	7.0
548.27417	1.4
589.44568	22.1
590.44989	3.1
590.53796	0.8
607.29211	23.8
607.45801	2.5
608.29346	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	608.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21286	0.3
50.52812	0.3
56.05029	3.9
57.03431	0.3
58.06598	2.8
69.03442	0.3
69.04526	0.4
69.07072	0.8
69.37335	1.5
70.06590	7.9
72.08154	2.0
72.29194	0.3
74.06078	15.0
75.05602	0.7
78.16290	0.3
83.06096	0.7
84.04501	3.9
84.08134	1.4
85.04025	0.4
86.06068	1.9
86.09702	34.7
87.05590	7.9
87.10041	0.7
91.05463	2.1
93.07043	1.0
96.04493	2.7
98.09690	2.0
99.05578	1.4
101.07148	2.9
102.05534	0.8
103.05463	4.4
103.54916	0.4
105.06989	1.6
110.07151	2.8
111.05582	0.4
112.03984	0.3
112.11208	1.5
113.07120	6.4
114.06689	0.5
115.05046	11.2
115.08684	1.1
117.07024	0.5
119.07317	1.9
120.08101	100.0
121.08441	3.6
124.11253	1.5
125.03500	0.9
125.07088	0.8
126.06702	0.4
126.09177	0.5
126.12789	0.6
127.05029	3.2
129.10223	1.6
130.04993	0.9
130.06555	0.6
131.08150	3.5
132.08109	6.6
133.08482	0.3
134.09680	0.4
136.07593	0.8
141.06577	9.8
141.13860	0.9
142.12245	2.0
143.07275	0.4
143.08244	0.3
143.11761	1.0
144.07735	0.8
145.05054	0.3
146.09621	0.4
152.08195	0.7
153.06602	1.4
153.13829	0.5
154.06104	0.8
155.04428	0.5
155.11780	2.8
158.09517	4.5
159.07654	5.4
160.07611	0.5
161.10735	1.2
165.10269	0.7
169.13364	2.1
170.09233	5.1
171.07654	0.8
171.11345	0.5
172.07190	3.2
176.08217	0.9
176.10706	12.9
177.10173	7.2
180.07654	0.7
181.13376	0.4
182.09196	0.4
183.11301	3.3
183.14932	1.1
186.09145	0.9
187.08601	0.4
187.12404	0.9
187.14420	9.1
188.10353	1.5
188.14310	4.3
188.15858	0.4
189.10199	3.7
189.12340	5.1
197.12846	1.6
198.08717	10.4
199.08910	0.7
201.09891	0.5
203.11804	2.3
205.09708	10.8
209.10358	1.2
210.08766	1.4
211.14494	1.0
215.11700	1.9
215.13928	4.3
216.09743	3.8
217.09746	3.7
221.10600	0.6
221.12901	1.1
226.15466	3.2
227.11357	2.1
228.09810	0.8
229.09375	0.6
231.11259	1.1
233.12833	0.9
233.16534	1.4
237.09843	2.0
240.13435	2.3
243.11348	1.4
244.10872	1.3
245.12518	0.8
245.16444	3.5
245.18521	0.4
249.09840	0.6
254.15045	1.8
255.10861	9.5
256.11072	0.5
261.12442	1.6
261.15982	0.9
262.11832	3.4
266.14917	0.7
267.10846	0.8
271.10858	0.7
272.16034	1.1
273.11856	2.9
273.15912	2.1
274.11868	2.9
275.95224	0.4
283.14844	0.5
283.17688	3.3
284.22260	0.8
288.13263	0.5
290.17108	2.0
291.14609	1.6
294.14633	0.4
300.13507	1.1
301.18726	1.2
306.14505	0.4
310.14713	0.3
311.17181	2.5
313.18985	0.6
314.18192	0.5
317.16138	0.4
318.14444	0.7
319.14001	4.1
322.18689	0.9
323.17047	1.6
328.13174	0.6
329.18390	3.7
330.18170	1.4
340.19754	1.7
341.18439	0.3
342.17914	0.5
342.23819	1.3
344.19629	0.6
347.19550	0.6
348.16800	1.0
357.15479	3.7
358.16525	0.5
358.20822	1.1
368.19250	5.5
369.19409	0.6
374.18198	3.0
375.16458	2.6
376.16071	0.9
384.16190	0.4
385.15146	0.9
386.20322	6.2
387.20355	1.0
392.19220	4.2
402.17697	17.7
403.17645	1.5
404.21582	1.1
420.18732	7.7
421.19107	0.6
442.24484	0.5
443.22568	0.8
444.22208	0.3
458.24094	0.6
460.26340	0.4
461.24710	1.7
469.25443	0.4
470.23907	3.5
471.23169	0.4
487.26620	6.9
488.25089	2.3
489.24216	0.7
497.25012	1.4
505.27667	8.2
506.27985	0.7
515.26117	19.5
516.26459	2.1
533.27087	5.3
534.27478	0.5
546.26489	0.4
572.28503	2.1
590.29181	5.6
591.29712	0.7
608.30353	9.9
609.30548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15867	0.3
52.15694	0.3
53.03940	0.5
53.59781	0.3
56.05035	0.7
57.05793	0.3
63.01011	0.3
65.17445	0.2
66.59621	0.3
69.07072	5.1
86.09706	60.4
87.10035	1.1
89.07169	0.5
91.05457	1.5
93.07035	2.3
95.04953	0.7
103.05466	8.7
105.04510	0.3
105.07035	0.4
113.10767	0.3
114.09196	0.9
115.05448	0.5
120.08105	100.0
121.08447	3.2
129.07010	0.5
130.06537	0.5
131.04916	0.3
132.08069	1.2
133.06462	0.3
141.06967	0.5
141.10222	0.4
143.08594	0.5
145.06479	0.5
146.09625	0.3
153.06978	0.7
154.55246	0.3
157.06557	0.4
157.13364	18.2
158.07210	0.7
158.13699	0.4
159.08067	0.5
161.06001	0.4
162.09134	0.6
166.08652	0.6
167.11836	0.4
169.06480	0.4
171.08070	2.6
173.06013	0.4
174.09157	3.8
175.09917	3.1
184.14500	0.6
185.05975	2.9
185.08452	0.4
185.12865	2.6
186.06737	0.8
186.09164	1.7
187.07521	0.7
187.09964	0.8
188.10716	6.3
189.05466	2.6
189.11008	0.4
190.08662	0.7
196.07637	0.4
197.06020	0.5
198.09149	0.5
199.07591	0.5
200.10768	0.6
201.05499	0.3
202.08629	11.0
203.08881	0.4
203.11792	5.6
204.10255	2.2
205.13361	0.9
212.07097	0.4
213.05489	0.9
213.10242	1.1
214.08647	4.4
215.11778	1.3
216.10298	0.3
217.13431	0.4
231.06548	5.1
231.11279	19.7
232.09656	3.6
232.11676	0.6
241.09720	0.3
243.06499	0.3
248.09201	8.5
249.09705	0.8
249.12341	13.9
250.12611	0.5
259.10803	2.5
260.09146	5.2
261.12323	0.5
277.11826	20.4
278.12195	1.2
287.10229	0.7
350.18707	0.5
361.15363	0.4
378.18198	1.2
379.16629	0.5
389.15347	0.3
390.20435	0.4
395.16077	0.6
396.19174	13.3
397.19540	1.1
398.20718	0.4
406.17618	4.1
408.19293	0.5
415.23236	0.7
424.18655	71.2
425.18948	6.6
443.22873	1.1
461.23999	2.2
462.24194	0.4
471.22348	0.9
537.27051	4.8
538.27515	0.8
547.28827	0.6
548.38757	0.3
564.31714	6.4
565.32623	0.7
590.29742	3.2
591.29626	0.6
608.30768	17.2
609.31305	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	608.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
56.05039	0.5
58.06602	0.6
59.04992	0.4
69.03433	0.4
69.07053	0.6
70.06594	6.2
70.55441	0.6
71.05001	0.5
71.06922	0.4
72.08157	2.8
73.02929	0.7
73.06561	2.1
74.05703	0.3
74.06083	0.6
79.05511	0.4
81.03419	0.4
81.07059	0.6
81.51108	0.2
83.06119	0.3
84.04492	0.9
84.08147	2.3
85.02904	1.7
86.09712	6.0
87.04473	12.4
89.06033	100.0
90.06368	1.1
91.05463	0.4
91.07588	0.6
95.08614	0.5
96.08138	0.5
97.02908	0.8
98.06068	0.5
99.04467	0.9
101.07149	0.5
102.05537	0.4
103.03951	1.2
107.07069	2.4
109.10085	0.3
110.07166	1.2
113.06029	0.4
114.09173	0.8
115.07555	0.3
116.07095	0.3
117.09139	1.6
118.06889	1.0
120.08110	2.0
121.08398	0.4
127.03930	2.5
127.08686	0.4
128.10805	0.3
129.10220	1.4
130.05045	0.3
130.06421	0.3
130.08650	0.8
131.07050	3.7
133.08603	62.9
134.08940	1.4
135.10176	0.6
136.07542	0.9
139.11197	0.3
145.04961	1.2
147.04366	0.4
147.11656	0.3
155.08224	0.3
161.11768	0.4
163.06018	1.2
175.03856	0.4
175.09653	2.7
177.11230	22.4
178.11533	0.7
185.16435	0.7
187.14398	0.4
207.06506	0.7
215.13853	0.4
219.12273	0.6
221.13857	3.7
221.18854	1.5
223.15479	0.4
239.14897	0.7
265.16467	1.1
267.19498	0.4
270.81741	0.3
271.08002	0.4
283.17511	0.8
284.14981	0.3
296.19601	0.5
309.18948	0.7
327.20108	0.9
328.77591	0.3
339.11734	0.4
353.21555	0.4
371.22760	0.6
378.97650	0.3
386.20056	0.5
394.21127	0.3
396.31476	0.3
397.24295	0.3
404.21069	0.5
459.27725	0.3
495.25772	0.4
503.30594	0.6
547.33112	0.7
548.25165	0.3
591.35864	3.8
592.36646	0.4
608.34900	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
66.05180	0.3
67.05518	0.3
69.56662	1.6
72.75069	0.2
73.04758	0.5
74.03362	0.2
85.85008	0.3
91.05812	0.7
94.06567	0.4
105.07059	0.4
108.28405	0.3
120.08102	0.4
122.09682	0.4
139.64636	0.3
144.08125	0.4
154.23277	0.3
183.09215	0.8
184.09941	0.3
185.10686	0.3
193.09032	0.3
195.09209	1.2
196.09914	1.5
197.10730	1.5
199.08727	0.4
208.09717	0.5
209.10728	3.6
210.11482	2.2
211.08778	1.0
211.12297	3.3
212.13089	0.7
221.10728	0.4
222.11343	0.7
223.08853	0.5
223.12259	4.9
224.09525	0.6
224.13080	5.2
225.10284	1.4
225.13681	1.8
226.14749	0.5
233.10588	0.5
235.08716	0.9
235.12344	0.5
236.09424	0.6
237.10274	2.0
237.13829	2.8
238.11050	0.5
238.14568	1.3
239.08063	0.4
239.11763	0.7
239.15424	2.7
245.10780	0.3
249.10370	1.0
249.13873	0.6
250.11057	1.2
251.08260	0.9
251.11853	1.8
252.12543	0.5
253.09779	0.4
253.13599	0.5
255.11436	0.4
261.13806	0.5
263.08185	0.4
263.14981	0.3
264.09113	0.5
265.09772	0.6
265.13434	2.4
266.14130	0.6
267.11252	0.6
267.14883	0.5
268.12018	0.5
269.09314	0.3
269.12668	0.3
277.09607	0.5
279.11362	1.0
282.10123	0.5
283.10962	0.6
283.14304	0.4
295.10870	0.5
297.12436	1.3
298.13065	0.3
300.15335	0.5
302.16443	0.5
306.80914	0.3
314.16626	0.4
323.10266	0.6
325.12042	0.3
339.13788	0.3
340.14474	0.5
355.06915	0.6
362.18878	0.4
377.17709	0.8
388.17511	0.3
389.13757	0.4
390.18555	0.4
391.19324	0.5
392.19830	0.4
393.20743	0.5
403.15454	0.5
404.20221	0.5
405.16696	0.8
405.21280	0.6
417.17169	0.7
418.17868	1.2
419.18353	1.5
420.19608	0.9
431.18692	1.0
432.19797	0.6
433.20401	2.7
434.21036	0.5
440.15994	0.5
445.20966	0.4
446.17004	0.4
447.18167	1.5
448.18256	0.6
448.23444	0.6
449.23697	0.5
460.19315	0.5
461.18933	1.6
463.21445	1.5
475.21487	0.9
476.22198	1.7
477.22809	1.3
479.20618	0.6
489.22821	0.3
490.23926	0.6
491.20630	0.6
493.22278	0.4
503.24213	0.9
507.24008	0.6
508.23892	0.4
519.20459	0.9
520.21289	0.9
521.20929	3.1
522.22681	0.4
527.23499	0.4
531.24109	1.3
532.23608	0.4
534.22443	1.6
535.23383	1.1
549.24933	11.1
550.25531	1.8
559.23541	0.4
562.21930	0.3
577.24481	1.2
580.23016	0.8
581.27734	0.4
591.26245	0.5
609.27051	100.0
610.27399	13.9
610.37262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03922	1.8
53.07586	1.5
55.05524	5.6
55.34916	1.7
56.54645	1.4
67.05513	16.2
69.07076	4.5
79.05495	15.0
81.07067	16.7
83.08639	2.3
91.05480	13.0
93.07048	12.2
95.04998	2.6
95.08608	14.1
98.22630	4.0
105.07051	14.0
107.04979	1.6
107.08618	6.8
109.10182	5.1
117.07050	5.3
119.08611	6.2
121.10181	5.5
124.59871	1.5
129.07030	2.8
131.08595	7.3
133.10120	7.6
135.11682	2.9
143.08633	3.4
145.10138	10.0
147.11723	5.0
155.08633	3.1
157.10197	2.3
159.11717	6.1
161.13232	1.7
169.10126	2.9
171.11722	1.9
173.13348	4.3
179.14427	1.5
183.11784	3.4
185.13313	2.1
219.17545	1.9
239.18037	2.7
257.19052	5.0
275.20157	10.1
314.95898	1.5
331.22754	2.6
355.06534	1.6
390.19058	2.7
391.19165	4.3
392.19864	3.1
399.38214	1.8
405.20905	4.5
406.21518	2.4
407.22348	2.2
415.19672	3.0
421.23920	5.9
429.20874	4.6
443.22556	2.5
447.18097	3.4
456.19827	1.8
457.24353	2.8
460.22583	1.9
461.19788	5.5
462.20303	2.7
463.21246	2.7
475.21045	9.9
476.22168	6.9
477.23026	5.2
485.23727	8.0
486.20605	2.0
488.22418	1.8
489.22998	6.0
499.21268	2.7
503.24286	6.3
515.24445	5.7
521.25275	2.3
531.24072	14.3
532.24097	2.8
550.25934	5.1
559.23499	6.3
591.26025	33.4
592.26740	4.3
609.27087	100.0
609.44574	21.6
610.27509	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
64.91667	0.5
67.05504	1.9
69.07057	0.8
69.61330	2.8
73.04777	0.7
79.05500	1.4
81.07044	1.4
82.55466	0.5
83.08656	0.6
91.05452	0.8
93.07029	1.6
95.08569	1.3
105.07041	1.4
107.08652	1.1
112.80029	0.5
120.08197	0.5
131.08553	0.9
145.10170	0.9
184.69537	0.5
203.97012	0.7
251.15469	0.7
257.19327	0.7
275.15601	0.6
297.03625	0.6
355.07132	1.5
390.18845	0.6
400.16479	0.6
403.19363	0.7
404.20319	0.8
405.20795	1.8
414.18253	1.0
415.19138	1.5
416.19971	1.1
417.21350	0.8
418.17664	0.9
419.22720	1.3
429.20978	2.7
430.21732	1.2
431.18079	1.2
431.23157	0.9
432.19492	1.1
433.24091	1.8
435.22229	0.8
442.21246	0.5
443.22772	1.1
444.23102	2.0
445.24503	1.4
447.22632	2.9
448.22424	0.7
449.23123	1.9
457.20007	1.1
459.21530	4.3
460.22513	3.6
461.18823	2.0
461.23547	4.4
462.20578	2.3
463.21201	1.0
471.21609	0.8
472.22668	2.8
473.23459	1.9
474.24683	0.8
475.20810	0.8
476.21881	4.7
477.22604	3.7
485.23352	1.4
486.24512	0.6
487.25027	3.9
489.22751	2.2
492.25443	1.5
503.24219	2.3
504.24896	1.1
519.23920	3.0
521.21423	3.7
531.23920	23.3
532.24243	4.7
549.24963	14.0
550.25470	2.0
563.26404	1.2
581.26788	0.8
591.26141	2.8
609.27008	100.0
610.27362	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33077	0.7
57.02699	0.7
61.01117	1.0
66.39588	0.7
69.87228	0.9
69.87558	3.2
73.04760	41.3
75.02675	1.6
79.02174	0.9
91.05798	100.0
92.05740	1.7
93.03731	1.4
109.06850	1.1
114.07369	8.5
133.78024	0.8
149.04489	7.0
149.66806	0.8
167.05560	32.7
190.07243	1.0
221.08426	4.8
225.04298	5.8
226.04257	0.8
233.55276	0.8
239.09497	38.3
240.09663	2.6
266.99832	8.6
268.97888	13.6
269.97797	0.8
281.05157	2.2
283.03009	5.9
285.00970	37.5
286.00980	2.6
299.06168	33.2
300.06250	3.4
303.01959	5.0
326.03784	1.0
326.96280	0.8
344.97696	9.1
355.06985	87.6
356.06979	8.0
359.03018	1.6
371.10016	1.7
373.08170	8.0
374.08328	1.3
400.98471	2.0
402.96396	7.4
403.96616	1.1
415.03625	6.0
416.03427	1.0
418.99472	13.2
419.99588	1.9
489.05453	1.7
610.18475	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	610.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01878	4.9
55.05510	3.2
57.03437	3.5
58.06596	2.3
67.05513	4.7
69.02093	19.7
69.03422	8.9
69.07076	11.7
70.06588	11.5
71.04967	3.7
72.08154	6.9
73.19434	2.1
79.05495	19.7
81.03413	5.4
81.07053	19.6
82.40941	2.3
83.04988	18.4
84.08154	4.4
85.02914	19.9
85.06564	2.1
86.09711	8.2
91.05434	13.0
93.07045	34.9
95.04989	12.8
95.08607	13.9
97.02909	8.2
97.06539	24.6
99.04458	7.3
103.05486	2.2
105.07034	30.9
107.04983	11.3
107.08589	19.4
107.24134	1.9
109.02861	2.2
109.06527	17.5
109.10155	4.3
110.07121	4.3
110.09678	9.1
111.04414	2.4
111.08099	2.7
117.07078	9.2
119.04947	9.7
119.08582	8.7
120.08096	5.3
121.06497	20.7
121.10132	3.8
125.06000	27.4
127.03918	4.4
127.07526	1.9
128.10724	44.4
129.07016	3.4
129.10234	5.4
130.07808	2.2
131.08577	9.9
133.06500	6.5
133.10147	2.5
135.04451	2.6
135.08070	8.0
135.11700	11.7
137.05997	23.3
139.07533	6.9
143.07039	20.8
143.08565	5.3
144.09280	2.3
145.05006	5.1
145.06479	5.4
145.10135	54.9
147.08047	2.7
147.11691	9.7
149.06032	2.0
151.07553	4.4
153.09102	3.5
153.12761	2.1
155.08524	3.0
157.08644	6.5
158.07285	5.6
159.08084	6.3
159.11685	25.1
161.13283	5.5
163.11198	67.3
164.11534	4.5
169.10152	10.4
171.08046	2.1
171.11713	3.3
172.08946	2.7
173.09622	46.0
174.09947	2.9
177.12692	4.7
179.08563	4.6
181.12234	14.9
187.11186	37.0
189.12776	5.5
191.10654	19.8
197.09625	13.3
205.12257	27.4
206.12703	3.1
209.11775	6.0
215.10689	51.1
223.13313	5.0
227.12773	14.6
233.11729	94.7
234.12007	5.5
251.12791	100.0
252.13155	6.1
268.22589	2.4
269.13815	19.8
303.04929	2.9
355.07001	2.1
430.24219	4.0
610.27216	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	610.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24932	1.6
53.03937	3.1
55.01894	2.7
55.05521	3.6
57.03433	1.9
58.93713	1.7
65.03937	2.0
67.05492	5.7
69.03426	6.3
69.07063	8.4
69.14178	1.6
70.06586	16.9
70.87965	2.8
70.88314	2.2
71.04996	5.0
72.08151	6.9
73.04761	2.7
79.05481	16.2
81.03396	5.0
81.07057	20.6
83.04987	17.8
83.18331	1.7
84.08136	5.1
85.02905	15.9
86.09705	11.2
91.05422	9.2
93.07033	27.1
95.04967	12.4
95.08592	12.5
97.02895	7.6
97.06528	15.0
99.04456	7.4
105.07027	28.0
107.04950	12.4
107.08590	15.3
109.02875	2.3
109.06535	14.3
109.10147	2.2
110.07155	5.1
111.08072	2.3
113.06004	1.9
114.09202	2.6
117.07033	5.3
119.02702	1.8
119.04945	6.2
119.08605	9.6
120.08110	2.9
121.06501	24.9
121.10147	4.3
125.05984	25.8
127.03929	5.3
127.07560	2.3
129.07048	4.2
130.07790	2.2
131.08585	7.6
133.06509	7.4
133.10178	2.6
135.08055	9.4
135.11693	8.7
137.05978	12.3
139.07526	6.3
143.07016	17.6
143.08580	4.4
145.05016	2.5
145.06453	4.1
145.10123	45.9
147.04379	2.2
147.11713	7.0
151.07506	2.8
154.07779	3.4
157.08589	7.2
157.09868	2.3
158.07220	3.9
159.08046	6.9
159.11674	21.1
161.09648	2.5
161.13231	4.7
163.04001	2.2
163.07475	2.8
163.09802	3.0
163.11183	58.6
169.10110	7.8
172.08859	2.5
173.09622	38.5
177.12617	2.1
179.08553	3.5
181.12234	14.1
182.07269	2.5
187.11177	35.5
189.12756	5.2
191.10672	17.3
194.75401	1.9
197.09587	13.2
205.12256	24.9
207.13800	2.7
209.11710	6.4
215.10674	47.2
216.11064	2.8
227.12758	15.4
230.03619	1.9
233.11734	94.2
234.12132	5.0
239.09421	2.3
251.12772	100.0
252.13232	5.5
269.13849	25.2
285.00797	2.7
333.40921	1.8
355.06973	3.5
410.47867	1.8
450.13220	1.9
610.28314	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	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03645	0.8
53.03936	1.8
55.01870	1.2
55.05503	3.4
56.04507	0.8
56.05016	1.5
57.03422	1.1
59.76688	0.8
65.03934	1.3
67.05499	4.0
69.03429	6.0
69.07071	8.7
70.06592	12.6
70.45390	2.9
71.04984	3.0
72.08154	8.5
79.05483	12.0
81.03402	1.9
81.07063	6.0
83.04980	17.2
84.04517	1.0
84.06213	0.8
84.08134	6.5
85.02898	10.8
85.06536	1.8
86.09702	8.0
87.05582	2.0
87.10031	1.0
91.05458	9.4
93.07040	13.9
95.04971	6.3
95.08604	4.8
97.02885	4.7
97.06535	13.8
99.04477	4.5
102.69131	0.8
103.05557	0.8
105.07027	20.3
107.04959	11.9
107.08591	15.1
109.02930	1.6
109.06544	4.9
110.07126	2.2
111.08121	1.2
113.06104	0.8
116.07028	0.8
117.07018	4.1
119.04998	1.1
119.06050	0.8
119.08576	5.3
120.08076	4.0
121.06500	14.0
121.10135	1.7
123.08063	1.4
125.05987	29.2
126.91102	0.8
127.03915	4.4
128.10707	0.9
129.06944	1.6
129.10217	5.2
130.07748	1.2
131.08594	4.7
133.06468	3.7
133.10133	1.5
135.08025	2.8
135.11691	4.1
136.07584	1.3
137.05956	1.4
139.07541	4.0
143.07028	29.3
143.08258	1.9
143.08508	2.1
144.07379	0.9
145.05002	5.2
145.06433	2.5
145.10112	40.8
146.10492	1.7
147.08032	1.7
147.11658	7.0
149.09622	1.2
151.07581	4.9
155.08189	1.4
158.07254	2.0
159.08023	3.1
159.11700	11.4
161.09651	1.3
161.13208	1.1
163.05983	3.2
163.11176	100.0
164.11537	3.9
167.05421	1.0
169.10060	3.1
171.11555	1.7
172.08784	1.9
173.09624	31.7
174.09978	1.3
177.12830	4.1
179.08545	0.9
181.12189	1.6
187.11169	21.5
189.12743	3.3
191.10664	20.7
197.09599	3.2
204.20883	0.9
205.12247	18.9
206.12514	1.0
209.11749	5.3
215.10666	22.5
216.10826	1.0
223.13435	1.0
233.11713	72.8
234.12033	3.8
251.12764	19.5
252.13226	1.1
268.22681	1.5
269.13882	14.4
287.05594	1.0
355.06943	1.9
609.63269	1.1
610.33173	3.0
611.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.05510	6.0
56.28456	2.4
58.06596	6.2
60.04523	3.0
61.01149	2.4
62.44182	2.8
65.03928	3.2
67.05508	7.5
69.03434	13.1
69.07064	15.3
69.42501	15.2
70.06309	2.2
70.06597	23.0
71.05003	4.9
72.08154	19.5
73.04754	6.6
73.06567	2.8
77.03934	3.5
79.05503	16.7
81.03410	5.1
81.07068	17.9
83.04987	26.2
84.08127	6.6
85.02911	19.5
85.06542	6.3
86.09714	18.8
91.05435	9.5
91.05861	6.7
93.07055	28.6
95.04995	13.4
95.08597	6.2
97.02903	8.9
97.06528	29.5
98.22575	4.9
99.04456	8.7
103.03938	3.0
105.07024	35.5
107.04958	13.7
107.08609	18.1
109.06541	23.0
110.07191	14.8
111.08085	4.2
112.69067	2.9
114.09218	3.2
117.07013	7.8
119.04946	11.0
119.08592	11.5
120.08111	14.7
121.06505	23.6
125.06002	48.6
127.03910	7.4
127.07540	7.4
129.06984	4.5
129.10223	4.5
130.07819	2.9
131.08548	9.4
133.06453	6.9
133.10097	5.7
135.08119	3.3
135.11703	5.8
137.05978	9.7
139.07520	14.1
143.07042	46.5
143.08591	4.1
145.05016	4.2
145.06511	6.5
145.10130	70.0
147.11710	4.6
149.09738	2.8
151.07509	6.6
154.07867	3.4
157.07425	2.4
157.08600	18.4
157.09731	3.1
158.07333	5.4
159.08060	6.8
159.11699	27.1
161.13257	3.4
163.11177	47.9
167.05684	3.9
169.10158	9.5
171.11650	2.9
173.09598	39.6
177.12756	10.4
181.88547	2.4
187.11168	58.1
187.12721	3.7
188.11485	3.6
189.12769	5.8
191.08112	4.2
191.10710	18.6
197.09633	12.5
205.12254	64.1
206.12567	3.4
215.10680	80.8
223.13304	18.7
233.11734	100.0
239.09471	3.3
251.12801	85.2
269.13849	58.6
280.26453	2.9
285.00821	4.3
299.06250	4.5
355.07028	10.0
395.16858	5.7
413.17969	3.7
450.70074	2.9
460.56699	2.9
610.28528	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	610.32
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
55.50907	0.2
56.05037	4.7
58.06599	0.9
59.98566	0.3
60.04531	2.2
64.31647	0.3
64.93209	0.3
67.05502	0.7
69.03442	0.3
70.02925	0.3
70.06593	2.6
71.29389	0.4
72.08154	0.6
73.04755	1.3
74.06081	4.5
79.06208	0.3
82.06589	1.0
83.06097	0.4
84.04513	2.4
84.08142	100.0
85.02920	0.3
85.06528	0.5
85.08485	1.8
86.06071	0.5
86.09705	0.8
87.05593	1.3
91.05831	2.1
94.06571	0.5
98.06055	0.9
98.09689	0.3
99.05588	0.5
101.07146	0.5
101.10791	2.8
103.05468	0.6
108.08144	0.3
110.07155	0.8
110.09689	2.0
111.05545	0.3
111.09225	0.7
112.07616	0.6
113.07117	0.4
116.07099	1.1
120.08104	12.3
123.09204	0.9
125.07143	0.5
126.09138	0.4
127.05023	2.1
127.08652	0.3
127.12330	0.7
128.10738	2.8
129.06616	0.6
129.10236	22.3
130.08662	0.3
130.10582	0.8
131.08162	5.1
139.08676	0.8
139.12309	0.4
140.10670	1.6
141.10240	1.3
142.68356	0.3
143.08148	0.9
149.04507	0.3
151.08679	4.5
151.12297	0.4
152.08066	0.3
153.06577	0.6
153.10219	0.5
153.28650	0.3
155.04546	0.3
155.11790	1.3
159.07657	3.7
161.09230	1.2
162.06725	0.3
166.08630	7.2
167.05577	1.0
167.11807	1.3
168.07805	0.2
168.11334	0.6
169.09758	0.8
171.07654	5.7
171.11281	0.9
177.10208	3.8
180.07654	0.4
181.06073	0.5
185.12865	0.9
186.12483	1.2
187.10750	0.4
189.08737	0.7
194.12976	0.5
195.11296	0.9
198.08728	0.7
212.13983	1.5
212.63554	0.5
213.12364	0.8
216.09834	1.1
223.10782	5.7
224.10448	0.3
224.13963	0.4
226.11900	0.3
230.15065	1.9
234.12463	0.3
239.09599	0.9
242.11363	1.9
251.15161	0.7
260.12457	0.6
263.14926	0.4
268.97968	0.6
273.15625	0.4
283.03146	0.4
285.01050	1.0
286.11588	0.3
286.20151	0.6
290.15997	1.9
294.14532	1.1
296.90399	0.3
299.06308	0.7
299.17386	0.3
304.12885	0.5
317.14511	0.7
317.18182	0.5
325.18814	0.3
343.19907	0.3
344.19446	0.3
351.04617	0.3
353.18515	0.3
355.06866	2.0
356.07089	0.5
363.16681	0.6
370.20868	0.8
381.17664	1.6
388.21936	2.5
403.15939	0.6
405.13873	0.3
424.22293	0.3
427.23233	0.4
445.24155	1.2
448.25348	0.7
463.25165	1.2
464.21307	0.4
464.43018	0.3
465.16119	0.6
482.22617	1.6
574.29254	0.5
592.30444	2.5
593.28937	0.5
610.31854	56.8
611.21576	2.7
611.32159	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01867	2.0
55.05509	24.3
57.03436	8.3
57.07068	4.8
65.03936	3.0
67.05499	66.2
69.06680	1.1
69.07064	23.1
71.04988	2.5
71.08613	1.1
73.04753	2.6
77.03905	1.4
79.05489	48.6
80.05827	1.1
81.07051	63.8
82.07378	1.6
83.04979	2.7
83.08617	12.1
85.06542	2.1
91.05453	42.1
93.07036	53.3
95.04973	5.4
95.08600	53.6
96.08974	0.9
97.06533	4.1
97.10174	6.0
99.08099	2.0
103.05489	2.0
105.04513	1.9
105.07025	48.3
106.07388	1.8
107.08588	33.8
108.08839	1.2
109.06542	1.8
109.10152	21.7
111.08074	2.3
111.11754	1.3
113.09647	1.5
115.05417	2.4
116.06213	1.1
117.07008	19.8
119.08573	40.7
121.10136	25.8
123.08070	1.9
123.11707	7.5
125.09622	1.6
128.06204	3.5
129.05560	1.4
129.06996	13.1
130.07782	2.2
131.07574	2.0
131.08557	33.7
132.08887	1.3
133.10120	32.2
134.10542	0.9
135.08034	1.3
135.11679	18.2
137.09654	1.4
137.13319	1.5
139.11125	1.2
141.07022	4.3
142.07770	3.0
143.08549	19.3
144.09326	1.0
145.10109	29.8
147.11673	26.5
149.13269	10.6
150.13504	0.8
151.11162	1.1
155.08527	7.4
156.09305	1.7
157.10106	17.2
159.11684	24.0
159.58798	0.8
161.13240	17.7
163.11166	1.4
163.14842	4.8
167.05557	1.8
167.08507	1.5
168.09355	1.0
169.10107	10.6
170.10825	0.9
171.11676	18.3
172.12125	1.2
173.13255	16.5
173.14644	1.5
175.14828	6.2
177.16341	2.0
181.10066	4.1
181.62494	0.8
182.36345	0.8
183.11652	10.6
185.13228	14.2
187.14812	8.1
189.16417	2.0
194.10861	0.9
195.11656	3.9
197.13271	8.5
199.14813	7.6
201.16357	5.4
203.14224	1.0
203.18013	1.2
203.38153	0.8
207.11783	1.5
209.13278	3.1
211.14754	5.6
213.14626	1.3
213.16353	6.1
215.18039	2.6
217.15883	1.0
217.19492	0.9
221.13257	1.3
223.14842	2.8
225.16393	2.1
227.18042	3.9
229.19574	2.7
231.17435	1.7
231.21136	2.0
233.15318	1.0
235.14876	1.2
237.16394	1.7
239.18002	2.5
241.19626	8.4
243.21178	2.8
251.17871	1.4
257.18869	5.0
259.20557	21.6
260.20932	0.9
261.22061	8.1
267.21274	0.9
271.20572	1.1
285.22171	1.5
286.01047	1.1
297.22034	1.3
299.20456	1.1
299.23813	2.5
311.23807	1.7
313.25107	1.0
315.23279	2.3
325.25235	1.7
327.26801	1.2
331.22726	1.6
333.24203	13.0
334.24463	1.6
335.25797	22.6
336.26199	1.5
337.27414	2.1
351.25879	0.9
353.28363	1.7
355.07098	1.9
356.07068	2.3
367.29968	1.4
375.53827	0.9
395.28970	1.0
397.30930	1.2
423.32565	1.0
449.33652	1.9
461.47021	1.0
487.34586	1.1
501.35187	1.0
503.37827	1.0
519.42108	7.6
527.36890	1.1
537.43292	4.0
538.44348	0.8
541.38727	2.4
542.39191	1.3
593.45667	8.8
594.45868	1.9
611.46606	100.0
612.46869	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
53.70098	0.8
55.01882	2.1
55.05515	21.3
57.03453	5.5
57.07075	3.6
59.04974	1.0
65.03956	3.1
67.05507	52.8
69.07071	19.4
69.07419	1.5
70.07430	0.9
71.05005	2.0
71.08641	1.0
73.04754	0.8
77.03963	1.0
79.05497	39.3
81.03419	0.8
81.07059	56.3
83.04993	2.5
83.08617	8.6
85.06559	2.9
91.05483	39.3
93.07050	44.2
95.04989	5.2
95.08612	45.1
97.06551	2.8
97.10173	4.0
98.22573	2.4
99.08111	1.9
103.05502	1.0
105.04517	1.7
105.07037	42.7
107.08602	26.0
108.08929	1.1
109.06528	3.1
109.10158	16.0
111.08093	1.6
111.11749	1.1
115.05477	2.2
117.07032	16.7
119.08588	31.3
121.10145	19.1
123.11700	7.0
125.06157	1.0
125.09667	1.7
128.06274	2.7
129.07014	10.9
130.07823	1.5
131.08574	26.0
133.10136	26.3
135.08101	0.8
135.11703	14.6
137.06006	2.8
137.09645	1.0
137.13246	1.7
141.07019	2.7
142.07787	2.2
143.08569	15.0
145.10135	25.9
146.10500	1.1
147.11699	22.4
149.09648	0.9
149.13255	8.2
154.07750	1.2
155.08595	6.3
156.09343	1.8
157.10120	17.4
159.11696	21.3
159.12973	1.2
161.13275	14.7
163.14790	4.4
167.08615	2.1
168.09375	1.4
169.10149	7.3
171.11716	15.5
171.13069	1.1
173.13266	12.8
174.13812	1.1
175.14824	6.8
177.16396	2.1
181.10201	2.8
182.10805	1.1
183.11693	6.1
185.13268	12.2
187.14825	6.5
188.23470	0.8
189.16388	2.5
195.11780	3.3
197.13237	5.0
199.14832	6.2
201.16486	3.8
203.18025	1.9
209.13312	2.5
211.14871	3.6
213.16431	5.6
215.18053	2.7
217.19475	0.9
219.17430	1.7
223.14886	1.8
225.16449	2.6
227.18077	1.8
229.19623	2.0
231.21167	2.4
237.16370	1.2
239.18015	2.8
241.19611	9.7
243.21182	2.6
245.19116	1.3
257.18964	4.6
259.20563	20.2
261.22137	5.6
275.20279	1.6
277.17944	1.7
285.22104	0.9
297.22079	1.3
299.23758	1.6
311.23492	1.1
313.22012	1.1
313.25458	1.3
315.23248	2.4
317.24783	1.4
325.25421	1.0
333.24271	13.7
334.24756	1.1
335.25815	21.3
336.26346	1.1
337.27686	1.5
339.26938	1.4
353.28394	2.3
356.07169	1.6
367.29752	1.6
416.19159	0.8
419.33093	0.9
475.34958	0.9
489.35657	1.2
501.35083	1.1
503.37259	1.6
519.42004	6.3
527.37128	1.9
537.42767	3.2
541.38892	2.2
593.45557	8.3
594.46118	1.2
611.46729	100.0
612.47089	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.05517	26.5
55.83355	1.9
57.03432	7.4
57.07079	5.3
65.03942	2.8
65.65381	1.8
67.05510	64.0
67.47179	1.8
69.07072	24.5
69.29010	12.1
71.04971	3.0
71.08649	2.4
79.05499	49.9
81.07066	63.3
83.04996	2.5
83.08622	11.9
85.06546	5.0
89.06076	2.1
91.05472	45.5
92.05786	3.2
93.07051	53.5
95.04977	5.3
95.08607	52.5
97.06546	4.9
97.10168	7.0
103.05476	3.3
105.07041	46.8
105.07756	2.2
106.07373	2.4
107.08598	34.1
109.06499	2.1
109.10162	25.4
111.08128	3.4
115.05450	3.9
117.07011	16.8
119.08582	31.1
120.08951	2.9
121.10148	24.8
123.11699	5.3
125.09624	2.7
128.06282	3.9
129.06984	10.6
131.08580	30.7
131.09503	3.0
133.10132	27.8
135.11711	17.5
141.06987	3.2
142.07803	1.9
143.08560	16.6
145.10123	29.1
145.11130	2.9
147.11691	26.6
149.13258	9.7
155.08589	5.7
157.10121	20.1
159.11731	22.3
161.13272	20.7
161.97174	1.9
163.14813	3.9
169.10173	10.1
171.11713	18.4
173.13237	17.7
175.14815	9.3
177.16402	2.3
181.10149	3.6
183.11655	9.5
185.13248	15.0
187.14798	9.2
195.11725	2.6
197.13364	7.4
199.14842	10.6
201.16458	2.8
209.13335	2.8
211.14876	4.4
213.16473	6.8
215.18010	4.6
223.14853	3.1
225.16486	3.5
229.19539	2.5
231.21219	2.2
237.16452	3.1
241.19505	10.3
257.19073	5.9
259.20633	24.1
261.22098	5.8
333.24319	13.4
335.25854	28.2
337.27591	2.5
355.17236	1.9
417.45105	2.1
417.50739	1.9
428.55249	2.0
519.42053	8.4
537.43378	5.5
555.04584	2.3
593.45520	7.8
610.43060	2.2
611.46698	100.0
612.38763	2.3
612.47186	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.5
55.27563	8.0
57.07079	8.3
67.05498	33.2
69.07077	9.0
70.10467	23.5
79.05479	10.8
81.06384	8.9
81.07040	19.6
86.93149	9.6
90.59297	9.2
91.05502	11.5
93.07028	22.3
99.98878	9.9
105.07040	16.1
107.08647	17.1
109.10186	10.0
117.06986	15.1
119.08582	12.6
123.11629	9.1
145.10181	12.8
147.11664	10.5
610.32318	8.9
612.36371	100.0
612.46509	23.3
612.58899	11.6
613.38019	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	612.366
Annotation	Yanucamide B
Peak:m/z	Relative Intensity
52.03321	4.6
67.05488	9.7
69.07681	26.2
69.08085	12.2
70.44733	4.3
79.05484	7.1
81.07055	10.8
95.08620	7.7
98.23413	8.5
99.76270	4.0
102.48840	4.8
105.06997	7.8
125.89609	4.2
126.64137	4.7
148.96101	4.2
207.47887	4.7
368.46960	4.3
602.81024	5.2
612.27112	8.3
612.36719	100.0
612.46613	10.2
613.36914	13.6
613.47076	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	613.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65759	0.6
55.05445	0.8
57.07019	2.3
57.07261	0.6
60.21492	0.5
60.32232	0.6
63.21219	0.6
63.91927	0.6
66.32420	0.6
67.05471	1.2
69.06989	0.6
71.08559	1.9
73.06495	0.8
76.77730	0.6
79.05409	0.8
81.07009	1.2
83.08475	0.6
85.10117	1.4
87.04412	1.0
89.06026	7.4
91.05415	0.9
95.08557	1.4
105.06966	0.7
118.06406	0.6
120.08063	0.8
133.08586	4.0
147.91849	0.7
165.99774	0.6
168.39594	0.8
177.11197	1.2
183.09033	0.7
185.39539	0.7
189.10088	0.9
197.49333	0.8
198.97432	1.2
202.16075	0.7
208.09657	0.6
209.10806	0.9
211.12352	0.9
221.10678	1.5
223.12320	0.7
235.12277	1.6
237.13885	1.5
247.12027	0.9
249.13945	1.6
251.15332	1.0
261.13849	1.2
275.15366	0.7
277.12051	0.6
290.12927	1.0
304.14340	0.8
304.18066	0.6
316.14490	0.7
318.15955	0.8
324.15063	0.6
327.17017	0.7
328.17789	0.7
338.16455	0.7
339.16022	1.7
340.18060	1.7
350.16470	1.0
351.16592	1.2
352.18115	1.4
353.17667	3.4
354.19019	1.5
355.19568	1.2
364.17963	1.3
365.17838	1.8
366.19220	2.6
367.15295	1.0
367.19556	3.4
368.20779	1.4
369.17096	0.8
369.21375	1.0
377.17615	1.0
379.19443	1.5
381.16846	2.1
381.21140	4.0
382.17755	1.6
382.21890	1.2
383.18286	1.3
383.22336	1.8
391.15356	1.1
393.16629	0.8
393.21216	1.0
395.18234	3.4
395.22620	1.7
396.19659	1.8
397.20288	3.2
407.18668	1.7
409.15576	0.9
409.20706	3.1
410.20825	2.5
411.16879	0.7
411.22009	7.6
412.22366	4.0
421.20193	2.3
422.21085	4.3
423.22534	2.9
424.22830	1.2
425.19485	8.7
426.20386	1.5
427.21436	1.0
428.23016	0.7
435.21860	0.9
436.22446	0.9
437.24167	3.1
438.19913	3.5
439.20758	6.2
440.22125	6.7
441.23175	0.9
442.24963	0.9
453.23154	4.1
454.23257	1.4
455.20587	2.4
455.25266	1.2
456.21426	3.0
457.22220	0.8
463.21957	1.2
467.24731	1.2
469.22610	5.5
481.22211	2.5
483.18555	0.6
483.24805	9.8
484.24774	6.9
485.24942	0.8
495.23941	2.5
496.24680	2.1
497.21381	7.8
498.22687	1.1
509.25876	0.8
511.23303	2.5
512.23981	3.7
527.26520	14.9
528.26849	1.4
537.24878	1.6
542.21417	1.1
555.27087	0.9
569.27582	17.2
570.24561	10.4
571.25500	100.0
572.25854	12.0
585.26715	1.6
613.26556	64.7
614.26880	7.5
624.19427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.05028	1.8
57.80801	0.3
60.04527	2.9
60.07254	0.3
68.05035	0.6
69.04946	0.6
69.05356	1.7
70.06591	100.0
71.06920	1.4
72.08153	4.5
74.06078	6.8
79.05489	0.7
83.06113	0.7
84.04509	1.2
84.08140	1.6
85.02891	0.7
86.09712	2.7
87.80249	0.3
93.34231	0.3
94.06615	0.3
96.04487	0.5
96.08131	3.9
98.06050	4.6
99.05496	0.3
100.07626	0.4
101.21471	0.3
102.05527	1.6
110.06035	2.1
110.07191	1.1
112.03965	2.5
113.07159	0.4
114.09172	7.9
116.07111	1.1
117.73386	0.3
118.08649	0.5
120.08125	0.9
126.05521	3.5
127.03899	0.3
127.08667	1.5
129.10252	1.0
130.04991	1.8
136.07613	0.8
144.10182	0.5
145.09743	1.0
149.25571	0.3
153.06625	0.5
153.10234	0.9
155.08159	3.9
167.11824	1.0
169.13365	1.7
171.11295	0.9
173.09274	0.9
181.09784	1.2
183.07645	5.0
185.16486	0.3
187.93961	0.3
195.11287	1.6
197.12926	0.4
199.10771	0.5
201.08730	2.6
210.68942	0.3
213.12323	0.9
213.16000	0.5
215.13910	38.3
216.14224	1.1
224.10428	0.3
224.13969	0.6
238.11952	0.5
252.99567	0.4
256.12909	1.3
258.10950	0.8
266.11359	0.5
266.15228	0.3
266.18390	0.4
274.13980	1.1
284.12390	5.0
284.19522	0.3
294.18100	0.5
300.14139	0.3
302.13428	2.5
312.19156	73.3
313.19482	4.5
329.52936	0.3
353.18216	0.6
355.15894	0.5
363.16663	0.5
381.17740	2.0
394.82803	0.3
398.21658	0.4
399.18784	0.5
411.67792	0.3
413.23972	1.0
416.22845	2.4
466.26346	0.5
546.90442	0.3
595.31348	0.5
613.26379	1.1
614.26910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01871	7.6
55.02116	0.5
55.05513	10.0
57.03442	0.8
57.07079	2.0
58.80440	0.4
65.03943	1.5
67.05505	32.0
68.05862	0.5
69.03436	0.7
69.07069	9.0
71.05001	0.5
71.08639	0.9
79.05496	16.5
81.07059	57.8
82.07381	0.7
83.04987	3.1
83.08617	4.0
85.06551	1.1
85.53046	0.4
89.06033	0.6
91.05471	9.5
92.05785	0.6
93.07046	13.8
95.04982	1.6
95.08608	22.5
96.08932	0.7
97.06538	1.5
97.10172	1.1
98.23357	1.2
99.08115	0.6
101.09664	0.5
105.04533	0.6
105.07028	9.0
107.08598	9.8
107.09289	0.7
109.06520	13.6
109.07252	0.9
109.10161	8.4
109.10902	0.4
111.04443	16.2
111.08096	2.1
113.05987	0.4
113.09629	0.6
117.07006	1.4
119.08596	8.2
121.06506	0.8
121.10142	8.0
123.08062	2.5
123.11707	4.1
125.06002	5.2
129.07005	0.7
131.08572	3.6
133.08658	0.6
133.10129	7.5
135.08046	2.7
135.11693	5.1
137.05977	100.0
137.13258	3.0
138.06306	2.6
139.07521	0.6
139.11176	0.7
142.07796	0.6
143.08540	2.1
145.10120	3.3
147.08063	2.0
147.11696	8.4
149.06062	0.4
149.09599	4.6
149.13263	3.1
151.07571	2.6
151.11188	1.3
157.10133	2.8
159.11761	2.4
161.09624	7.3
161.13249	3.7
162.09993	0.5
163.11195	2.6
163.14825	1.7
165.09116	2.2
165.12793	0.6
167.10689	0.9
169.10066	0.7
171.11726	1.4
173.13223	1.4
175.11179	4.7
175.14816	2.1
177.12769	0.9
179.10666	1.9
181.12196	1.2
185.13281	0.8
187.14725	0.5
189.12671	1.3
193.12219	1.3
197.13206	0.5
199.14778	0.5
203.17937	6.4
205.19370	0.8
213.16359	2.5
221.18980	1.2
223.14841	0.8
228.75179	0.5
231.17416	10.4
232.17776	0.9
241.15829	1.7
249.18500	13.8
250.18869	0.5
251.19917	0.5
256.96118	0.4
259.20670	1.1
261.22086	1.2
263.23706	0.9
277.17987	72.7
278.18414	3.2
279.19821	0.9
279.23190	1.2
295.19043	13.5
296.19403	0.8
335.25732	1.3
337.27225	0.7
351.21625	0.6
352.21375	0.4
595.47083	0.6
613.44470	25.0
614.44910	4.4
623.98712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	4.0
55.05515	21.3
57.03429	7.8
57.07073	5.1
64.10864	1.1
65.03939	3.4
65.92060	1.2
67.05505	69.4
67.87337	1.1
68.05849	2.1
69.07069	22.5
69.10017	3.6
69.10432	5.6
71.05000	2.9
71.08634	2.0
72.55161	1.2
75.43953	1.2
79.05495	39.7
81.07056	72.3
82.07409	1.5
83.05000	1.7
83.08615	10.8
85.06539	2.3
90.22879	1.0
91.05479	28.1
91.06015	2.3
93.07043	44.3
95.04970	3.9
95.08604	54.2
97.06536	3.9
97.10174	6.8
99.08112	1.4
99.92818	1.1
105.04498	1.5
105.07032	30.8
107.08591	28.1
109.10156	29.2
111.08073	2.8
113.09636	1.5
115.05429	1.5
117.07026	12.8
119.08583	29.8
119.91992	1.1
121.10138	26.5
123.08115	2.1
123.11708	11.9
125.09631	1.4
129.06964	6.5
130.07777	1.2
131.08568	25.8
133.10135	25.3
135.11690	21.4
137.13277	5.1
143.08519	7.1
145.10126	21.9
147.11685	20.7
149.13269	12.1
151.14862	1.8
155.08563	2.0
157.10117	7.6
159.11711	14.9
161.13243	14.4
163.14781	7.9
169.10170	2.8
171.11679	7.4
173.13264	14.7
175.14784	5.7
177.16441	2.2
183.11678	2.9
185.13240	6.1
187.14821	8.1
189.16374	3.0
191.17972	1.6
196.90300	1.2
197.13300	1.8
199.14886	3.7
201.16409	3.7
203.18080	2.0
205.15764	1.5
209.13374	2.0
213.16412	1.9
215.17915	1.9
217.19565	2.4
219.17580	1.5
231.21104	1.8
241.19728	5.7
243.21185	4.3
259.20581	10.8
261.22122	17.1
263.23697	1.5
264.48880	1.3
285.22263	1.8
301.25195	1.6
315.23376	1.5
317.24847	2.3
333.24155	8.3
335.25803	23.8
336.26187	1.5
337.27441	13.9
375.29135	1.3
451.35031	1.5
489.35992	1.7
504.00943	1.4
521.43591	6.3
529.39392	1.7
539.44879	1.9
543.40472	2.9
595.47150	15.5
596.47711	2.6
613.48230	100.0
614.48553	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01873	1.0
55.05513	9.1
57.07074	57.0
58.07411	1.2
59.04988	1.6
67.05515	4.0
67.43182	0.7
69.03435	2.5
69.07064	10.1
69.12493	5.2
71.05004	1.0
71.08630	50.2
73.06557	6.0
79.05483	2.6
81.07050	3.0
83.04981	2.5
83.08143	1.0
83.08620	14.0
85.06538	1.6
85.10182	29.1
87.04469	7.2
89.06030	100.0
89.15898	0.7
90.06361	1.7
91.05475	3.2
93.07053	3.8
94.84518	0.6
95.04984	1.8
95.08617	4.4
97.06541	5.5
97.10155	3.5
99.11716	8.5
105.07013	5.6
106.21072	0.7
107.07064	3.2
107.08596	6.8
109.06566	1.1
109.10160	3.1
111.08064	1.0
111.11716	3.7
113.09665	3.0
113.13280	6.6
115.05457	0.9
117.09136	6.0
119.08604	4.0
121.06542	1.1
121.10127	2.9
123.08046	2.4
125.09651	1.8
125.13278	2.7
127.14801	3.9
129.06985	1.4
130.08633	1.4
131.07056	2.4
131.08620	2.3
133.08600	64.2
133.10217	2.3
134.08958	1.5
135.10112	1.0
135.11742	1.1
139.11179	3.2
141.07051	1.1
142.07787	1.8
143.08601	2.1
145.10139	3.1
147.11702	1.2
149.09612	1.4
155.10693	2.0
157.10143	4.6
159.08023	2.0
159.11662	1.4
161.11739	2.1
167.08595	0.7
169.10150	2.8
171.11755	2.5
175.09741	1.5
177.11224	24.5
178.11578	1.0
179.08603	1.7
181.10094	1.3
181.12253	3.2
182.10880	1.0
183.11700	1.6
183.21095	1.6
185.13298	0.9
193.10141	1.0
194.10925	1.0
195.11803	2.0
195.13780	1.4
197.13322	1.3
198.97438	1.0
203.14450	1.0
209.13367	2.1
211.14836	1.2
219.11870	0.8
221.13658	6.5
221.15652	1.5
223.14900	1.5
227.23688	1.5
235.14876	1.1
239.14783	2.1
247.17097	1.2
261.16370	1.7
265.16284	1.1
271.26306	1.6
283.17493	1.9
285.18433	1.1
298.19275	0.8
299.20087	2.6
315.28903	3.8
321.41312	0.8
323.20087	1.0
327.20233	2.2
371.22656	2.0
415.25452	5.1
429.27960	0.9
447.52704	0.9
465.30188	1.0
529.24878	1.2
597.46155	6.8
614.48169	3.0
615.40393	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	615.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26391	3.6
53.03935	6.4
55.01873	9.8
55.05508	52.1
57.07069	6.0
58.06602	5.1
59.04991	6.8
65.03924	8.3
67.05508	34.3
69.03434	20.6
69.07059	27.6
70.06596	6.3
71.04990	12.2
71.07677	6.6
79.05482	35.0
81.07050	44.3
82.82423	3.9
83.04963	26.5
83.08614	53.9
85.02879	4.7
85.06533	11.6
91.05479	51.5
93.07041	87.6
95.04955	38.6
95.08601	55.2
97.06531	48.1
99.04420	4.6
105.07032	80.4
107.04966	4.0
107.08590	73.1
109.06501	32.3
109.10155	44.3
111.08081	15.7
113.09669	24.1
115.05417	9.6
117.07036	20.8
119.08577	69.5
121.06536	12.2
121.10141	90.7
123.08066	31.0
123.11687	10.3
125.05954	6.0
125.09657	23.2
127.07539	6.3
128.06223	14.4
129.07027	27.9
130.07817	9.4
131.08574	45.6
133.06519	7.3
133.10124	43.1
135.08029	23.9
135.11694	9.7
136.01457	4.4
137.09636	14.6
139.11189	25.4
141.06976	13.8
142.07744	28.9
143.08551	56.1
144.09319	12.4
145.06447	11.4
145.10121	73.1
147.08058	17.1
147.11662	22.9
149.09625	27.2
151.07512	6.6
153.07043	6.9
153.09132	7.6
153.12750	9.5
154.07774	4.7
155.08536	28.9
155.10641	26.6
156.09358	24.6
157.10130	77.6
158.10797	11.3
159.07997	19.6
159.11664	36.0
161.09619	15.4
161.13319	6.5
163.11157	8.9
165.07002	12.6
165.12778	5.0
166.07852	7.4
167.08534	17.4
167.10660	100.0
168.09351	7.6
169.10109	39.1
170.10883	16.9
171.11684	46.9
173.09631	16.8
173.13281	20.7
175.11157	14.7
177.12740	6.4
179.08582	13.5
179.14189	4.5
180.09377	5.7
181.10109	22.0
181.12254	37.7
182.10890	8.8
183.11684	51.1
185.09592	13.5
185.13211	21.7
187.11174	15.3
187.14815	8.0
189.12666	25.0
191.14322	5.2
192.09358	6.1
193.10141	14.2
194.10843	14.5
195.11688	32.3
195.13663	8.8
196.12459	15.2
197.09636	11.3
197.13284	38.2
198.10277	4.6
199.11189	14.5
199.14848	16.2
201.12747	18.1
203.14340	9.7
206.10902	6.1
207.11697	18.7
207.13806	12.0
208.12508	11.2
209.13333	30.2
209.15152	7.9
210.13860	7.1
211.11183	11.9
211.14803	17.1
213.12724	19.1
215.14314	17.0
219.11723	7.9
219.13818	5.3
220.12410	4.7
221.13249	19.1
221.15398	25.8
222.13878	6.9
223.11333	4.7
223.14830	18.6
225.12730	8.9
225.16353	7.3
227.14336	12.2
229.15947	9.6
232.12473	6.1
233.13217	11.0
233.15289	54.4
234.13885	6.5
235.14803	12.4
236.15363	5.4
237.12750	9.5
237.16528	5.1
239.14185	5.7
241.15880	10.3
243.17488	4.3
245.13150	7.0
245.15384	8.3
247.14815	9.9
247.16997	7.5
248.15268	6.1
249.16631	5.1
251.17999	9.0
255.17267	6.5
257.13232	5.7
257.19077	5.4
261.16431	5.6
263.18130	6.6
265.15781	5.3
267.17468	5.4
269.19016	5.8
273.18591	11.1
275.18076	6.3
279.17291	7.1
281.19061	13.6
285.18591	25.2
286.19070	5.1
287.20270	5.3
288.32346	4.3
293.18924	5.5
297.18600	8.4
298.19247	13.4
299.20343	23.1
311.19928	15.7
319.20779	5.5
324.20905	6.4
325.21564	7.8
351.23126	7.2
363.23160	7.2
377.24634	8.0
429.27673	6.8
483.30548	5.8
509.32605	7.2
523.33844	5.1
579.38324	7.6
597.39233	36.5
598.39893	5.0
615.40552	84.8
616.18579	7.1
616.40802	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	615.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01874	6.0
55.05513	65.2
57.07079	33.9
58.07408	2.3
58.16459	1.8
59.04981	3.7
65.03938	5.7
67.05508	21.2
69.03429	17.5
69.07074	14.6
69.50922	11.5
71.04992	8.5
71.08634	26.8
72.08962	4.6
73.06548	3.6
79.05492	14.9
80.47263	1.9
81.07061	16.3
83.04987	18.7
83.08620	100.0
84.08981	2.2
85.02937	2.7
85.06547	9.7
85.10189	17.8
86.17648	2.0
87.04476	8.4
89.06034	56.3
90.06351	8.7
91.05480	23.8
93.07051	27.3
95.04964	12.9
95.08604	28.4
97.06533	43.7
97.07138	2.8
97.10162	4.3
99.11776	2.8
102.04738	1.9
103.05499	2.4
105.07032	37.6
106.87211	2.0
107.04971	1.9
107.08595	55.3
109.06534	5.9
109.10139	12.7
111.08082	6.4
113.09639	24.6
113.13286	4.4
115.05432	3.5
117.07041	7.6
117.09140	2.9
119.04911	2.5
119.08582	36.8
120.08132	3.0
121.06528	6.1
121.10144	21.2
123.08070	17.6
123.11720	2.7
125.09626	24.9
127.07533	1.8
127.14834	2.1
128.06230	7.3
129.06990	7.1
130.07806	3.2
131.08568	20.3
133.08603	30.4
133.10106	16.2
134.08957	5.5
135.08078	5.6
135.11739	5.0
136.08884	3.1
137.09618	6.0
139.11168	26.6
141.06990	5.3
142.07773	10.9
143.08562	21.4
144.09326	4.0
145.06554	2.9
145.10121	22.4
147.08012	2.6
147.11667	10.5
149.09641	7.4
153.12749	8.4
154.07819	2.0
155.08627	9.9
155.10655	19.3
156.09357	9.0
157.10144	34.2
158.10495	2.2
159.08020	11.3
159.11725	13.2
161.09641	6.2
161.13283	2.0
163.11195	3.3
165.07062	4.7
165.09052	2.6
166.07756	3.4
167.08534	3.5
167.10703	4.6
168.09349	4.2
169.10124	18.4
170.10930	4.0
171.08099	3.2
171.11671	16.9
173.09633	3.5
173.13283	6.2
175.11212	4.8
177.11246	13.5
177.12601	2.2
178.11569	2.1
179.08582	8.8
179.10753	2.9
179.14326	7.2
180.09300	4.6
181.10291	13.9
181.12241	35.5
182.10970	4.9
183.11708	14.8
184.12601	2.0
185.09612	5.3
185.13260	8.1
187.11226	4.7
187.14861	3.0
191.14359	3.7
192.09312	3.4
193.10172	9.7
194.10971	5.9
195.11731	13.9
195.13849	6.7
196.12477	4.9
197.09758	2.5
197.13292	16.0
199.11172	4.6
199.14876	3.1
201.12778	2.7
201.88852	2.1
205.15898	3.3
206.10954	4.5
207.11681	10.4
208.12489	4.7
209.13292	17.5
209.15244	3.2
210.13857	3.1
211.14859	6.2
213.12733	3.5
215.14397	5.0
219.11787	2.6
220.12379	3.9
221.13281	15.8
221.15417	19.5
222.14008	4.4
223.14861	8.4
225.12781	4.2
225.16472	2.9
227.14296	4.5
231.09554	2.2
231.11661	6.6
231.13799	2.9
232.12447	1.8
233.13164	4.4
233.15399	7.5
234.14067	3.1
235.14812	6.4
237.12770	2.9
237.14706	4.3
241.15901	2.9
244.12387	2.2
245.13185	4.3
245.15424	3.4
246.14024	4.6
247.14748	3.7
247.16991	9.2
255.17413	2.6
257.13358	2.8
258.14014	2.0
259.14651	3.7
259.17078	3.4
261.16336	13.9
261.18787	2.2
269.19058	2.5
271.14517	2.3
273.16144	4.1
273.18762	3.9
275.17801	4.3
281.18927	2.4
283.17139	3.9
285.18478	13.4
289.19537	3.0
297.18613	5.0
298.19287	7.7
299.20148	17.3
309.18683	2.4
311.20090	6.8
323.20081	4.6
351.23135	2.7
363.23215	3.3
364.24026	4.3
365.24463	2.6
371.23776	2.6
389.24991	4.3
416.25751	2.5
429.28009	11.2
497.34839	3.0
521.34033	2.1
523.34094	2.1
539.35327	2.2
557.35931	4.9
561.60510	2.0
597.39227	8.1
598.46417	4.2
615.40710	22.2
616.40216	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83910	0.9
53.03956	1.4
54.55973	1.0
55.05518	17.0
57.03441	3.6
57.07079	5.2
65.03947	2.2
67.05515	40.4
69.07079	18.8
71.05004	1.8
71.08643	2.7
79.05502	21.7
79.05974	1.3
81.07066	41.0
83.05019	1.2
83.08628	9.6
89.06052	2.3
91.05499	14.6
93.07057	28.8
95.04980	2.2
95.08618	38.7
96.08933	1.1
97.06535	2.5
97.10158	5.6
99.08098	2.8
104.08554	1.0
105.07040	17.8
105.07751	1.0
107.08606	19.0
109.06528	1.1
109.10173	20.4
111.08024	1.6
111.11727	1.7
117.07056	4.3
119.08597	15.6
121.10159	14.8
123.11742	7.6
129.07033	2.8
131.08580	10.2
133.08618	1.7
133.10138	12.0
135.11719	10.9
137.13275	2.7
143.08580	1.8
145.10130	10.4
147.11713	9.4
149.13280	8.4
151.14841	1.8
155.08571	1.2
157.10201	1.8
159.11700	6.7
161.13332	8.0
163.14796	4.5
171.11681	2.2
173.13342	4.8
175.14894	3.7
177.16551	1.1
185.13283	1.9
187.14865	3.7
189.16414	1.8
191.18034	1.8
199.14844	1.6
201.16388	1.6
203.18053	0.9
205.19609	1.6
215.18164	1.8
219.21205	1.1
229.19386	1.4
231.21165	1.2
233.22748	1.4
241.17714	1.2
241.19887	1.5
243.21057	2.7
247.20668	1.2
259.20575	4.9
261.22168	12.9
263.23782	2.0
275.23715	1.8
277.21674	1.4
279.23218	1.3
287.23819	2.0
289.25415	1.7
291.22830	0.9
303.23383	1.1
317.25021	1.9
329.28448	1.3
333.24222	2.1
335.25797	10.3
337.27426	13.9
339.28989	5.0
385.34705	1.0
503.41858	1.3
505.44455	1.3
517.39557	1.6
523.45282	5.0
524.45618	1.1
531.40546	1.7
541.46265	4.1
557.46344	1.1
597.48822	13.2
598.49158	1.3
615.49854	100.0
616.50031	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	615.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05518	26.0
57.03445	4.5
57.07071	8.1
66.11160	1.7
67.05506	52.0
69.07069	23.0
75.45575	1.6
79.05492	29.6
81.07056	50.0
83.08619	10.9
86.97438	1.7
89.06013	3.2
91.05479	21.5
93.07053	35.5
95.04990	3.4
95.08607	45.6
97.06546	2.0
97.10178	6.6
98.23497	3.8
99.08090	2.2
105.07037	22.3
107.08598	23.9
109.10143	18.2
117.07040	7.5
119.08583	23.3
121.10152	18.0
123.11732	6.9
131.08534	13.3
133.08588	2.9
133.10135	14.6
135.11685	11.9
137.13268	4.4
143.08566	3.0
145.10109	7.3
147.11685	9.9
149.13275	7.0
157.10149	3.6
159.11725	8.4
161.13255	8.6
163.14841	3.4
173.13353	6.9
175.14861	5.0
177.16479	2.3
185.13237	2.6
187.14906	3.5
189.16425	2.6
201.16423	2.3
219.21158	1.8
243.21118	3.2
259.20630	5.6
261.22162	16.4
264.31384	1.9
315.12781	1.8
317.24747	2.7
323.25888	2.1
330.51550	2.0
333.24362	3.6
335.25815	11.5
337.27408	15.2
339.28717	4.4
374.54041	1.8
450.52850	2.3
523.44940	4.5
541.46088	3.2
597.48981	11.9
615.49774	100.0
616.50250	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	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25281	0.7
53.03952	2.6
55.01876	1.1
55.05516	17.7
57.03454	3.8
57.07078	5.9
59.05008	0.7
65.03947	2.3
65.19590	0.6
67.05510	36.9
69.07073	19.4
71.05006	0.9
71.08648	3.5
79.05499	21.9
80.05849	0.6
81.07063	41.4
82.07378	0.7
83.04969	1.0
83.08623	10.1
84.77056	0.6
85.06557	2.1
85.10197	1.9
89.06051	1.2
91.05489	18.7
93.07053	30.3
94.50621	0.6
95.04984	2.2
95.08616	34.4
97.06524	3.0
97.10169	5.6
99.08089	1.1
102.35908	0.7
105.04552	1.0
105.07038	22.4
107.08605	18.7
107.09290	1.2
109.06557	0.8
109.10169	12.5
110.25964	0.5
111.08110	1.8
111.11735	1.4
111.62488	0.6
117.07008	5.6
119.08591	23.0
121.10151	13.6
121.11018	0.9
123.08104	1.0
123.11724	6.0
125.09658	0.7
129.07030	3.1
131.08575	15.0
131.09489	0.9
133.08650	0.9
133.10135	15.3
134.10593	0.6
134.75368	0.7
135.11711	8.2
137.09624	1.1
137.13249	2.9
139.11162	1.3
141.07019	0.9
143.08597	3.9
145.10127	14.3
147.11703	7.5
149.09749	0.9
149.13278	4.9
151.14848	1.4
154.19034	0.5
157.10147	4.8
159.11714	7.3
161.09691	0.9
161.13272	6.1
163.11209	0.8
163.14851	3.9
165.12775	0.7
169.10205	1.1
171.11653	4.0
173.13298	5.3
175.14857	5.5
177.16356	3.0
179.14302	1.0
183.11752	1.4
185.13310	2.4
187.14809	3.3
189.16376	3.8
191.17987	1.4
197.13310	1.5
199.14876	2.2
201.16412	3.0
203.18011	2.4
213.16452	1.0
215.18105	2.4
217.19589	1.3
219.21107	1.6
227.18231	1.1
229.19571	1.8
231.21143	1.4
233.22769	1.8
239.18066	0.7
241.19827	1.5
243.21083	1.3
245.18994	1.1
247.20653	0.9
259.20660	1.7
261.22229	3.9
263.23758	0.9
273.22305	0.8
273.25543	0.7
275.23962	0.6
287.23767	1.4
301.25296	1.4
311.25858	0.7
327.27097	1.0
331.26425	0.8
333.24249	0.9
335.25934	3.2
337.27478	4.7
383.33011	0.8
431.35251	1.0
461.32733	0.7
499.38565	0.8
505.44580	0.8
523.45276	6.4
524.45776	0.9
531.40363	1.4
541.46179	2.8
545.42310	1.3
559.46338	1.0
597.48798	9.6
598.49005	1.8
615.49817	100.0
616.50244	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12161	2.1
53.03946	3.5
65.03935	2.5
70.06602	15.1
71.09264	3.2
72.08141	2.4
75.04500	4.3
78.04746	2.5
84.04525	2.4
84.08149	3.2
85.02907	5.6
86.09721	6.1
91.05473	11.7
93.03419	12.8
93.07045	7.2
95.05010	5.0
97.06543	3.6
103.05473	11.7
103.40054	2.3
105.07050	8.5
106.04181	23.5
107.04975	19.2
110.07243	2.7
115.05468	2.7
118.04232	2.8
121.06519	31.0
124.34068	2.0
125.06014	6.8
131.04973	2.9
132.80057	2.3
133.06528	9.8
134.03607	4.1
135.80634	2.5
137.05966	4.8
148.05173	4.1
149.05991	49.7
151.07526	3.4
153.09087	10.5
161.05997	23.8
163.07617	3.9
172.07126	2.1
177.05495	19.7
181.08603	18.7
182.52293	2.1
184.52797	2.2
191.07028	18.7
193.08617	18.6
209.08096	100.0
238.48633	2.5
383.14972	3.3
387.14368	2.6
617.14453	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	616.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.05029	1.5
56.96563	5.9
57.07061	0.6
58.06586	0.9
59.07364	0.5
60.08161	7.5
67.05504	2.3
69.03423	0.4
69.07063	1.1
70.06588	0.6
71.07362	5.8
71.95251	1.3
72.08141	1.5
79.05494	1.3
81.07053	1.9
81.75440	0.4
83.08639	0.6
84.96008	0.7
86.09707	23.7
87.10020	0.7
91.05471	1.7
93.07048	2.6
95.04937	0.7
95.08607	1.1
97.06535	0.4
97.96787	0.6
98.97588	1.2
102.92601	0.9
104.10744	100.0
105.07033	1.4
105.11070	1.5
107.08619	1.2
109.10155	1.1
110.97598	0.8
116.98608	0.6
117.07004	0.6
118.92102	0.8
119.08598	1.4
121.10135	1.8
123.08099	0.7
124.99999	2.8
128.98637	1.9
131.00148	0.4
131.08531	0.8
133.10112	0.7
136.93103	2.5
143.08546	0.5
145.10153	0.8
146.99643	0.5
147.08107	0.5
149.02393	0.6
151.07567	0.4
154.94170	4.5
157.10083	1.1
161.01291	0.6
162.94691	1.1
167.10730	2.1
168.10982	0.5
169.10213	0.5
172.95247	6.0
180.95738	5.6
183.11745	0.5
184.07338	5.6
189.00816	0.4
189.04298	0.6
190.96231	2.0
198.96800	20.0
209.13196	0.5
210.96793	1.8
216.97852	12.8
221.15488	0.5
221.98364	0.7
228.97876	3.4
233.15431	0.4
240.10048	2.5
254.99403	1.5
283.02097	0.6
299.20142	0.5
300.05197	1.0
311.20328	0.4
312.98987	0.5
314.06931	1.0
317.17874	25.3
318.18286	1.6
321.04974	0.6
333.17490	0.8
335.18915	12.1
335.22662	0.7
335.25751	0.8
336.19205	1.1
353.20084	0.5
358.20529	1.3
360.22650	0.4
373.20670	0.7
397.14447	0.7
397.22580	0.4
437.17722	2.2
441.17328	0.9
453.16849	2.5
455.10986	0.6
471.18268	4.3
497.19736	4.6
500.24506	10.0
501.24356	0.7
546.33228	0.4
547.93793	0.5
556.27118	16.0
557.27271	1.3
616.28955	8.7
616.40839	1.1
617.29260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48347	3.4
70.06596	1.5
72.08171	2.4
89.95386	0.8
91.05486	2.1
96.47567	0.8
98.22638	1.6
109.06516	0.8
112.11262	1.4
113.07109	0.9
115.05452	1.6
119.04911	5.3
130.04141	5.9
137.05978	25.4
143.04985	1.4
145.05161	0.8
147.04402	34.8
148.89734	0.9
150.06821	1.6
155.11818	1.5
158.43971	0.7
161.06006	5.0
162.06763	22.7
165.84637	0.9
171.04424	9.4
181.14146	0.8
183.04372	4.7
189.07045	1.1
190.07788	2.3
191.08586	5.5
201.06995	1.5
204.10204	18.3
204.60904	0.9
205.06508	1.8
207.08089	3.2
218.07332	3.6
218.11690	1.1
219.08051	21.6
222.80115	0.8
234.06773	1.8
235.07527	4.2
236.08276	1.6
246.06793	2.4
247.07539	35.0
248.08073	2.5
257.06082	1.4
261.09232	2.9
262.91257	1.0
263.07083	2.9
264.07855	3.6
265.08676	2.2
274.06329	1.6
275.07031	22.7
276.07510	2.3
277.05927	0.9
277.08575	5.6
279.10168	4.3
289.08612	1.6
292.07239	4.3
292.20334	2.5
295.09711	3.8
301.11545	0.8
307.09641	22.6
308.52798	0.8
318.18372	2.1
325.10712	8.3
352.15652	1.1
364.15442	3.1
382.16370	6.9
402.94348	0.8
455.72571	0.9
470.26462	2.8
599.28113	1.2
616.30151	100.0
617.30780	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	616.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.07078	25.3
58.06606	0.6
59.04989	1.1
63.53565	0.5
67.05502	1.5
67.12557	0.6
69.03410	0.7
69.07056	2.4
70.06567	0.6
71.08632	25.5
73.06553	8.8
79.05479	1.1
80.16994	0.5
81.07059	1.9
83.04972	0.8
83.08618	4.3
85.10181	24.2
87.04475	8.0
88.27197	0.6
89.06029	100.0
90.06385	1.2
91.05489	1.2
91.07555	1.2
93.07040	2.4
95.04965	1.1
95.08607	1.9
97.10158	1.1
99.11716	3.1
105.07030	2.5
107.07076	3.4
107.08604	1.9
109.06487	0.7
109.10143	1.0
115.45432	0.6
117.09122	7.7
119.08590	2.4
121.06612	0.7
121.10119	3.0
122.10507	0.6
123.08083	1.0
123.11697	0.7
130.08656	1.6
131.07040	2.7
131.08571	0.9
133.08603	45.4
133.10199	1.5
134.08929	1.2
135.10159	0.8
135.11708	0.8
137.09627	1.1
141.16376	5.3
143.08588	1.3
145.10138	1.6
147.08029	0.6
147.11613	0.6
151.07573	0.7
157.10065	0.9
159.11742	0.6
161.09618	0.8
161.11723	1.8
165.09094	0.7
167.10687	2.7
169.10062	0.6
171.11588	1.1
173.09714	0.6
175.09633	1.2
177.11217	20.4
178.11520	1.2
181.12126	0.6
185.13364	0.8
185.19020	5.1
189.12735	0.9
197.13188	0.6
209.13167	0.9
221.13647	3.0
221.15620	1.2
222.15837	0.9
226.21581	0.8
229.21613	8.9
233.15532	1.1
239.14932	1.0
265.16275	1.0
273.24142	3.7
283.17603	1.2
433.57013	0.6
459.27194	1.4
599.43951	3.1
616.39716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
57.19513	0.4
58.06597	0.5
59.33281	0.4
65.91026	0.4
69.03429	0.6
70.06593	95.2
71.05019	0.8
71.06923	1.4
72.08162	2.9
73.30566	0.5
74.06081	3.4
77.45725	0.4
83.06115	1.0
84.04504	4.8
84.08131	3.3
85.02895	1.0
86.09708	2.2
86.12489	0.4
98.06020	0.5
98.22623	0.4
101.07150	1.2
102.05541	2.3
110.07143	1.5
112.07603	100.0
113.07933	2.0
116.07104	0.5
120.06594	1.2
121.08418	0.6
122.06041	0.5
129.10245	2.4
130.04999	2.7
139.08670	1.1
140.07062	67.9
141.07390	1.6
145.02905	0.5
150.05542	0.6
152.08115	0.7
157.09718	19.3
158.10112	0.5
168.06532	0.6
169.01286	0.5
185.09235	0.7
187.07167	0.5
203.10248	2.1
213.08728	5.4
231.09737	4.6
231.16978	0.9
240.13374	4.6
251.10141	0.5
268.12921	21.8
269.13248	0.9
270.10733	0.4
314.13373	0.6
323.17154	1.3
324.15338	0.7
325.14972	1.7
332.14508	8.9
334.13806	1.1
341.18008	1.6
350.15424	1.6
351.16629	20.8
352.16159	0.5
369.17694	9.5
435.18576	0.5
452.21201	0.7
460.20041	0.5
463.17902	0.7
480.14554	0.7
480.20859	8.0
481.20782	0.6
498.21536	1.1
563.23364	0.5
564.22668	0.8
581.25562	4.0
582.23718	1.7
599.26666	10.3
600.26880	0.5
617.25757	0.5
617.35358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50215	12.5
55.05510	13.0
57.07080	21.2
59.42541	10.6
67.05490	17.2
69.07071	16.6
71.30756	15.9
81.07078	23.6
87.04472	42.0
93.07048	17.0
95.08589	12.5
105.07006	15.8
151.77567	11.1
192.84694	11.7
388.07193	13.5
415.14661	11.8
617.38336	100.0
617.51129	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	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01866	4.6
55.05514	49.6
56.70851	3.4
57.07077	9.5
67.05505	27.5
69.03424	9.4
69.07066	10.5
69.32870	6.0
69.33276	23.7
71.04976	4.3
76.93763	3.5
79.05495	22.6
81.07049	33.8
83.04982	15.0
83.08620	60.2
85.06533	6.5
87.04475	16.8
91.05477	28.9
91.90971	3.1
93.07050	37.4
95.04971	9.6
95.08611	19.2
97.06557	17.4
99.40517	3.6
105.07019	39.5
107.08591	33.1
109.06503	7.3
109.10163	15.4
111.08082	8.2
113.09626	6.8
117.07039	9.7
119.08582	44.2
121.06487	5.9
121.10120	29.5
123.08053	18.7
123.11737	4.7
125.05982	3.7
125.09644	13.4
128.06287	7.1
129.07002	10.5
131.08542	24.8
133.10086	23.0
135.08072	13.2
135.11665	7.2
137.09618	8.6
139.11224	8.5
142.07764	9.6
143.08519	18.4
145.10104	35.7
147.08061	19.3
147.11742	10.0
149.09656	9.9
151.07539	14.9
153.83154	3.2
155.08589	8.0
155.10672	8.2
156.09352	9.1
157.10118	26.2
159.11649	16.9
161.09641	6.6
161.13196	7.3
163.11191	8.0
165.09143	32.8
167.08577	7.4
168.09230	3.5
169.10118	13.7
171.10370	3.6
171.11607	16.2
173.09766	4.2
173.13306	9.4
177.09158	4.1
179.08583	6.7
181.10132	9.1
181.12233	23.0
182.10820	6.2
183.11710	13.7
185.13286	11.2
189.12808	7.9
193.10159	6.9
194.10898	3.9
195.11780	7.0
195.13751	6.6
197.09651	4.2
197.13319	16.7
199.11205	4.2
199.14871	4.8
203.14381	10.7
207.13815	9.1
209.13235	9.1
209.15251	5.9
211.14856	11.9
212.97919	3.6
213.16335	5.0
220.33632	3.8
221.13304	9.1
221.15361	81.9
222.15784	9.2
223.14886	15.4
225.16518	3.7
233.15395	3.4
235.14850	5.0
237.12820	4.2
247.16920	5.3
249.16388	4.7
263.40079	4.1
269.19028	4.2
273.18686	3.8
283.15216	11.9
285.18582	5.4
287.20053	6.8
299.20181	18.1
299.23053	4.8
300.20850	5.0
313.21481	4.9
339.18015	4.3
365.24631	8.0
391.25946	5.3
431.29333	6.2
525.35541	4.5
599.40784	15.9
617.40613	100.0
618.41095	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	617.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	75.6
57.07072	11.0
67.05513	39.8
69.03436	12.0
69.07057	24.5
71.29920	6.9
78.66605	7.9
79.05496	35.2
81.07057	56.5
83.04978	29.9
83.08617	100.0
87.04468	10.1
91.05467	70.3
93.07038	72.4
95.04954	24.1
95.08606	48.0
95.30154	7.6
95.72644	8.2
97.06542	28.3
98.22582	17.7
105.07026	97.9
107.08598	85.4
109.06497	20.7
109.10165	35.7
111.08006	8.4
113.09645	15.9
117.07030	26.4
119.08576	76.6
121.06510	15.3
121.10126	49.9
123.08066	24.6
125.09618	30.8
128.06177	14.4
129.06982	14.7
131.08560	38.1
133.10121	41.7
135.08041	19.9
135.11697	11.0
139.11174	19.7
141.06937	10.3
142.07771	21.5
143.08592	48.6
145.10150	76.3
146.10579	8.1
147.08015	11.9
147.11734	10.8
149.09628	20.2
151.42169	7.5
155.08551	17.4
155.10684	15.6
156.09375	18.9
157.10147	71.3
159.08025	15.2
159.11720	30.7
161.09599	11.0
162.69189	8.6
163.11101	9.7
167.08592	17.0
167.10706	36.5
168.09386	8.8
169.10138	27.5
170.10826	7.6
171.11700	31.8
173.09680	13.1
173.13231	13.5
179.08505	11.5
181.10138	20.1
181.12242	33.2
182.10980	8.3
183.11691	18.0
184.12431	13.6
185.13263	15.5
192.09358	8.4
193.10118	21.1
195.11719	21.9
196.12450	10.0
197.13251	33.1
198.13855	9.9
199.14867	18.6
203.14281	9.6
206.11017	9.8
207.11761	19.5
208.12421	8.3
209.13280	29.1
209.15202	10.8
211.14813	18.5
220.12416	9.6
221.13251	17.9
221.15422	28.3
223.14922	17.2
225.16454	10.0
233.13274	18.0
233.15430	36.3
235.14891	10.6
237.16574	13.7
247.14627	11.7
249.16353	12.7
251.17914	11.4
261.16324	8.8
283.20551	11.9
285.18439	10.7
299.20001	11.1
356.82050	8.7
359.23224	9.0
380.29349	9.2
450.74503	8.9
581.39478	10.6
617.23694	99.0
617.42493	19.1
618.24170	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	617.5137
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
52.30022	0.8
53.03952	2.2
55.05268	1.8
55.05513	17.5
57.03431	5.0
57.07080	8.0
59.40866	0.9
65.03922	2.2
67.05509	44.3
68.05833	1.1
69.07071	23.0
69.07419	1.6
70.94736	1.5
70.95061	0.9
71.04991	1.4
71.08643	4.6
79.05501	23.4
80.05862	1.4
81.07059	52.0
81.54980	1.0
82.07433	1.1
83.04988	2.0
83.08624	16.5
85.06557	1.6
85.10199	1.4
87.04485	4.3
89.76727	0.8
90.82837	0.9
91.05481	13.0
93.07051	25.6
95.04975	1.6
95.08610	42.1
96.08949	2.0
97.06558	3.7
97.10180	10.2
99.08133	1.5
105.07027	11.9
106.00505	1.0
107.07943	2.0
107.08600	15.5
109.06507	0.9
109.10155	19.9
111.08102	2.1
111.11736	1.2
113.09670	1.3
114.74384	0.9
117.07038	3.7
119.08561	13.9
121.10152	16.7
122.10532	1.2
123.11718	8.1
125.13256	0.9
129.07028	1.4
131.08575	9.2
133.10143	6.5
135.11697	9.9
137.13286	5.4
141.12759	0.9
142.75710	1.0
143.08624	1.7
145.10104	9.1
147.11700	5.7
149.13263	7.1
151.14851	3.5
153.12668	1.2
157.10199	1.5
159.11713	5.0
161.13223	5.1
163.14851	4.2
165.16373	1.9
171.11757	1.8
173.13315	3.1
175.14905	3.1
177.16446	2.9
187.14896	3.2
189.16469	2.7
203.18005	1.1
205.19688	1.3
215.18004	1.8
215.29700	1.1
219.17502	1.2
235.24098	1.6
243.21132	1.8
257.22574	1.0
259.20432	1.3
261.22147	6.6
263.23782	1.3
263.65833	1.0
275.23706	2.7
284.05023	1.0
289.25198	1.7
303.26605	1.0
307.26373	1.0
311.25909	2.6
317.24808	1.1
317.28387	1.6
335.25888	5.0
337.27411	3.1
339.28867	7.0
345.31284	1.2
346.80435	1.0
347.25946	1.1
349.27426	2.2
377.30505	1.0
387.36313	1.2
399.76102	1.0
433.76627	1.0
449.32587	1.1
507.45993	1.3
519.40259	1.2
525.46411	7.2
533.42664	1.4
543.47662	4.3
599.50336	15.7
600.50775	1.9
617.51373	100.0
618.51685	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	617.5144
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
51.02391	1.6
52.49838	1.1
53.03955	3.5
55.01880	1.8
55.05271	2.2
55.05520	27.2
57.03447	4.8
57.07089	11.2
58.65957	1.1
58.79540	1.5
65.03954	2.4
67.05515	58.9
69.07079	27.5
70.80046	1.3
70.80417	1.2
71.08638	5.7
71.78075	1.3
76.99862	1.2
79.05499	30.3
81.07067	66.4
83.08631	20.8
85.06551	2.5
87.04471	4.1
91.05485	18.7
91.06004	1.6
93.07053	42.7
94.07378	1.4
95.04993	1.8
95.08618	52.9
97.06544	4.7
97.10167	10.8
99.08089	1.6
105.04553	1.2
105.07044	17.0
107.08611	23.0
109.06560	1.5
109.10167	21.8
111.08101	3.8
111.11718	2.6
117.06983	5.9
119.08593	16.1
121.10145	19.5
123.08082	2.2
123.11726	9.0
125.09727	1.5
129.07024	1.9
131.08594	11.4
133.10150	11.5
135.11700	13.0
137.13271	4.8
139.11299	1.5
141.41991	1.4
143.08604	1.4
145.10109	7.5
147.11673	6.9
149.13290	5.5
151.14864	2.5
159.11720	6.0
161.13287	4.4
163.14798	6.0
171.11880	1.4
173.13290	2.0
175.14867	2.4
177.16290	1.7
178.03940	1.3
185.13492	1.6
187.14938	4.4
189.16414	2.9
191.17960	2.0
198.31879	1.4
201.16414	2.3
233.22672	2.4
241.18005	1.7
243.21181	3.1
261.22150	8.7
263.23889	2.9
275.23810	2.3
289.25479	3.0
303.27130	1.7
311.25797	2.0
325.27374	2.3
335.25879	8.3
337.27475	5.7
339.28970	12.9
349.27542	1.5
363.29001	1.8
519.40015	2.5
525.46588	6.9
533.42078	2.0
543.47949	4.2
548.64362	1.3
599.50513	18.5
600.50867	3.6
617.51459	100.0
618.51697	13.0
620.08618	1.4
648.07324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.05028	1.5
56.96569	4.7
58.06589	0.9
60.08162	7.1
63.52953	0.4
66.75793	0.4
67.05488	1.4
69.07079	1.1
70.06561	0.5
71.07377	5.6
71.95261	1.0
72.08128	0.7
79.05509	0.7
81.07050	1.8
86.09705	21.8
87.10004	0.4
91.05482	0.6
93.07032	1.5
95.08596	1.0
100.23055	0.5
102.92612	1.6
104.10743	100.0
105.07032	1.2
105.11070	2.3
107.08583	1.1
118.92134	1.3
119.08588	0.8
121.10100	0.8
122.10485	0.5
123.08076	0.7
124.99999	1.5
133.10155	0.7
136.93108	3.3
145.10164	0.8
146.99518	0.5
151.07506	0.7
154.94159	4.7
157.10104	0.5
162.94725	1.5
165.36740	0.4
171.11664	0.8
172.95235	6.8
180.95732	7.3
190.96263	2.6
195.96831	0.4
198.96794	22.4
210.96741	2.1
216.97855	15.6
216.99953	0.9
221.15410	1.2
221.98398	1.3
222.15797	0.6
228.97818	4.0
239.99490	0.5
240.09969	2.3
254.99321	2.0
273.00577	0.5
282.04373	1.0
287.19720	0.6
300.05249	1.3
314.06760	1.1
317.17825	0.5
319.19415	11.9
320.19913	0.8
335.19128	0.5
337.20483	19.2
338.20740	1.5
355.21558	1.1
360.22153	1.8
375.21945	0.6
388.31168	0.4
439.19229	1.8
443.18716	1.9
455.18552	0.8
473.19751	5.3
474.19971	0.7
499.21375	4.8
502.26019	9.5
503.26645	0.8
558.20111	1.0
558.28644	15.8
559.29144	1.4
600.41803	0.6
618.31195	9.9
618.41626	1.2
619.31091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01883	2.8
55.05514	42.5
55.53368	2.1
56.05834	2.9
57.00283	2.1
57.07076	9.1
65.03943	5.9
67.05507	33.5
69.03436	9.5
69.07066	18.0
71.04993	6.1
71.31358	3.1
77.03898	2.5
79.05486	41.1
81.07055	56.4
83.04972	17.0
83.08618	47.3
84.88538	2.2
85.06543	7.1
87.04479	4.5
91.05477	62.0
92.06245	3.0
93.07046	70.8
95.04972	42.7
95.08609	38.6
96.09007	3.0
97.06538	23.9
99.04455	4.1
99.08133	2.3
103.05466	5.1
103.14613	2.4
105.04472	3.3
105.07029	100.0
106.04296	2.7
106.14661	2.8
107.04981	3.9
107.08599	63.3
107.09295	4.9
108.08897	2.9
109.06533	21.5
109.10157	28.3
111.08065	6.4
113.09650	7.1
115.05446	5.2
116.06214	3.7
117.07004	22.1
119.04933	3.1
119.08581	86.3
120.08910	4.6
121.06504	16.5
121.10149	52.0
123.07331	2.7
123.08077	16.5
123.11718	8.4
125.06002	3.0
125.09656	15.4
127.11200	2.4
128.06226	15.4
129.06984	19.6
130.07814	11.1
131.08569	43.3
132.09358	3.7
133.06459	2.7
133.10138	56.4
134.10957	3.2
135.08057	14.5
135.11705	18.6
136.06183	10.0
137.09560	3.8
139.11195	10.0
141.06995	9.1
142.07793	24.4
143.08586	44.2
144.09409	12.7
145.06528	4.4
145.10123	74.5
146.10605	2.5
147.08054	10.2
147.11684	28.4
149.09593	17.1
149.13284	3.3
151.30862	2.2
153.07056	5.4
154.07794	3.4
155.08551	22.5
155.10608	13.5
156.09377	19.8
157.10117	60.9
158.10886	7.7
159.08034	13.6
159.11691	36.8
159.12973	2.9
160.08875	7.4
160.12306	2.9
161.09596	14.1
161.13278	6.5
163.11218	13.2
165.07021	6.4
165.09067	2.5
166.07759	4.1
167.08607	11.7
167.10670	17.6
168.09392	6.0
169.10117	27.4
170.10922	8.4
171.11676	37.3
172.12242	4.6
173.09663	9.1
173.13268	22.5
175.11143	14.7
175.14899	9.2
177.12737	2.6
179.08559	9.6
179.14293	4.0
180.09332	7.3
181.10193	17.9
181.12186	25.3
182.10963	11.6
183.11688	32.6
184.12503	4.8
185.09634	4.1
185.13261	19.0
186.10300	2.8
186.13965	4.7
187.11209	8.2
187.14767	11.4
189.12782	6.9
190.13518	3.0
191.14366	9.4
192.09299	2.9
193.10129	13.9
194.10919	6.5
195.11642	19.7
195.13319	2.3
196.12437	10.5
197.13257	30.5
198.13962	6.3
199.11247	5.7
199.14783	13.2
200.15527	3.2
201.12762	5.6
201.16426	8.0
203.14392	4.0
205.10129	3.8
206.10963	6.0
207.11787	17.9
207.13553	4.4
208.12488	4.4
209.13310	17.8
209.15143	4.8
210.13991	3.7
211.11205	2.8
211.14804	17.3
212.15468	2.8
213.12759	7.2
215.14307	10.9
217.10199	3.7
219.11792	3.9
220.12462	7.5
221.13254	10.4
221.15419	14.5
223.14810	15.2
224.12097	3.2
225.12785	5.7
225.14888	10.3
225.16582	6.7
227.14339	7.6
231.11703	5.6
231.17601	3.9
233.13234	5.5
233.15387	28.1
234.16008	3.2
235.14835	9.9
237.16466	7.9
239.14091	3.4
239.17880	2.8
241.19450	2.6
243.17560	3.6
245.13161	4.2
247.14828	6.5
247.17052	3.8
249.16403	8.0
251.17934	4.8
253.15947	4.6
253.19585	5.8
255.17461	26.6
257.13174	2.9
257.18936	2.9
261.16409	7.0
263.17957	7.3
265.19452	5.9
267.17468	2.9
268.18112	4.4
269.19049	4.8
270.19791	4.6
273.16220	4.3
273.18802	3.1
275.17914	6.4
281.19003	6.4
282.19727	5.8
283.20300	5.5
285.18585	5.3
286.19193	3.5
287.20169	3.7
289.19620	4.9
292.86047	2.3
294.19681	2.6
295.20697	4.5
299.20010	6.3
311.20117	3.3
319.20569	3.3
337.25186	3.6
349.25259	7.6
359.23624	3.7
360.24802	3.0
361.24814	3.0
365.24731	6.5
367.26776	3.1
375.26889	3.7
381.25806	2.9
383.25861	9.3
392.27130	3.6
393.27612	12.3
394.28381	3.5
457.31104	5.2
517.81348	2.9
526.51251	2.6
559.63000	2.7
562.67377	2.6
600.41089	4.2
618.24194	5.2
618.42633	12.8
619.25397	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01877	1.3
55.05511	12.1
56.96562	3.1
57.07082	1.9
58.06586	1.0
59.04981	1.1
60.08163	6.2
62.69462	0.9
65.03929	1.2
67.05504	10.7
69.03429	3.4
69.07056	5.5
69.93645	2.2
69.94043	1.9
71.04987	3.8
71.07360	3.9
79.05492	11.0
81.07057	18.2
83.04984	5.2
83.08622	19.0
85.06540	3.4
86.09704	14.3
87.04472	1.8
87.87102	1.0
91.05481	18.0
91.06020	1.8
93.07041	20.8
95.04976	11.7
95.08604	11.4
97.06526	7.7
97.10181	1.2
103.05504	1.3
104.10741	100.0
105.07027	31.1
105.11053	1.0
107.04951	1.5
107.07870	1.3
107.08587	20.1
109.06516	4.4
109.10152	10.2
111.08070	2.1
113.09653	2.6
115.05467	2.2
117.07005	8.0
119.08575	29.1
121.06516	4.5
121.10133	18.1
123.08062	6.0
123.11703	2.6
123.50754	1.0
125.09614	6.3
128.06206	5.0
129.06999	7.1
130.07816	2.0
131.08571	14.8
132.09335	1.2
133.06488	1.5
133.10123	16.0
135.08047	4.0
135.11690	3.2
136.93120	2.2
137.09612	2.7
139.11156	4.8
141.07016	3.5
142.07785	9.0
143.08569	14.9
144.09329	4.9
145.06525	2.3
145.10120	22.2
146.10544	1.7
147.08057	3.7
147.11671	6.8
149.09612	5.3
150.10210	1.0
151.07585	2.2
153.06938	1.1
154.94188	3.7
155.08569	6.4
155.10674	4.2
155.59988	0.9
156.09334	5.4
157.10115	20.9
158.10844	2.1
159.08057	5.7
159.11685	12.1
160.08868	4.5
161.09639	4.5
161.13243	1.6
162.94650	1.3
163.11243	2.6
165.06976	2.0
165.09138	1.4
166.07884	1.3
167.08586	4.6
167.10628	7.1
168.09360	2.0
168.11417	1.2
169.10117	10.2
170.10898	4.3
171.10254	2.3
171.11655	11.9
172.12315	1.1
172.95253	5.1
173.09634	2.9
173.13274	4.6
174.10309	1.1
175.11230	4.2
175.14865	1.3
177.12790	1.5
177.71176	1.0
179.08568	3.9
179.14381	1.6
180.09322	2.4
180.95721	6.0
181.10135	6.6
181.12245	7.7
182.10890	3.4
183.11696	7.7
184.12331	2.1
185.09624	2.3
185.13286	5.9
186.13968	1.8
187.11172	2.3
187.14856	3.2
189.12708	2.1
190.96271	1.4
191.14304	2.8
193.10101	3.8
194.10907	3.1
195.11664	9.2
196.12415	3.6
197.13258	13.5
198.96793	16.4
199.11163	1.9
199.14804	6.0
201.12743	2.1
201.16464	1.4
203.14320	2.6
206.10915	3.1
207.11681	5.4
207.13777	2.6
208.12508	2.3
209.13286	8.8
209.15266	1.7
210.13884	2.2
211.11270	1.6
211.14801	6.8
212.28799	1.1
213.12772	2.2
213.16380	1.8
215.14270	5.2
216.97852	9.1
217.15887	1.8
218.16725	1.5
219.11671	2.5
220.12581	1.3
221.13268	3.9
221.15370	10.0
222.15784	1.4
223.14758	4.0
225.12787	2.0
225.14777	3.4
225.16512	2.8
227.14339	2.3
228.97815	2.9
230.10736	1.4
231.11722	1.4
231.17419	1.6
233.13315	1.9
233.15350	12.8
234.13942	1.6
234.16095	1.6
235.14787	3.0
236.12152	1.1
237.16380	4.2
241.15681	1.2
245.13284	1.3
246.13972	1.8
247.14816	3.2
247.17065	1.3
249.16269	2.8
251.17783	1.2
253.19667	1.1
254.99426	1.4
255.17383	10.0
257.18835	1.5
259.14639	1.4
261.16351	2.6
263.18005	3.2
265.19507	2.0
267.17465	1.5
268.17911	1.1
269.19040	2.4
270.19745	2.9
271.20370	1.4
273.18680	1.4
277.19739	1.2
281.18903	1.6
282.19760	2.1
283.01913	3.1
283.20477	1.5
286.19260	2.4
287.20029	1.3
289.19458	1.5
294.19876	1.4
295.20480	2.1
298.19418	1.8
299.20227	1.7
307.20468	1.2
309.22159	1.3
313.21527	1.2
319.19434	8.7
337.20505	17.7
338.21140	1.2
365.24905	1.4
367.26010	1.9
383.25876	3.2
414.28970	1.3
473.19553	3.6
499.21179	3.5
502.25995	7.0
558.28668	13.4
582.40997	1.8
600.41327	1.8
618.30475	6.3
618.41602	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.0
53.03942	6.2
53.36275	2.1
55.01876	3.9
55.05516	47.2
57.07082	12.2
59.05020	3.0
65.03940	5.4
67.05510	30.6
69.03439	10.1
69.07067	21.4
69.08978	19.3
69.62195	2.1
71.04993	6.1
71.08623	6.0
72.08949	2.9
73.06559	3.4
79.05489	38.2
81.07059	47.9
81.41216	1.9
83.04980	20.9
83.08623	62.0
85.06541	7.4
85.10156	6.2
86.10513	3.4
87.04464	7.8
88.25605	2.2
89.06041	21.5
90.06381	5.4
91.05482	54.7
93.07045	69.7
95.04971	24.2
95.08607	32.0
97.06530	24.5
99.04482	4.9
99.08124	2.2
103.05479	5.3
105.04568	2.8
105.07036	100.0
107.04979	4.6
107.08595	73.6
109.06533	15.3
109.10149	26.7
110.06853	2.4
111.08092	6.4
113.09658	9.8
115.05484	5.9
116.06251	3.4
117.07029	26.6
119.04934	3.0
119.08585	86.0
120.09386	3.3
121.06538	12.9
121.10150	50.9
123.08071	21.5
123.11715	10.0
125.09637	22.2
128.06209	19.4
129.07010	27.5
130.07822	11.5
131.08566	45.0
132.09334	6.4
133.06522	2.9
133.08614	10.2
133.10132	54.4
134.10951	3.4
135.08078	12.3
135.11699	12.0
137.09618	7.1
139.11180	15.6
141.06995	8.3
142.07788	30.1
143.08565	53.6
144.09334	12.0
145.06514	8.6
145.10130	76.1
146.07269	2.7
147.08026	10.9
147.11688	22.1
149.09634	15.9
149.13322	2.3
151.07545	2.5
151.11169	3.8
153.06998	2.9
154.07767	4.8
155.08580	24.8
155.10611	13.7
156.09344	26.4
157.10136	65.3
158.10876	9.9
159.08081	16.5
159.11682	31.1
160.08853	12.0
161.09624	15.3
161.13277	8.8
163.11208	11.1
165.07036	6.6
165.12675	3.4
166.07774	7.1
167.08571	16.1
167.10661	17.8
167.14391	2.5
168.09349	8.0
169.10130	32.3
170.10944	10.4
171.10220	4.5
171.11647	33.0
172.12433	4.4
173.09654	9.3
173.13277	19.2
173.74594	2.4
175.11165	11.5
175.14822	4.7
177.11229	3.1
177.12665	2.5
178.07774	2.3
179.08461	11.0
179.14259	6.5
180.09334	8.5
181.10159	23.9
181.12221	23.0
182.10997	12.0
182.12469	2.5
183.11707	31.6
184.12434	5.6
185.09688	6.1
185.13283	22.8
186.13928	2.6
187.11203	5.4
187.14871	8.8
189.12750	7.6
191.14302	13.3
192.09293	5.1
193.10133	14.6
193.11993	3.3
194.10878	9.8
195.11720	26.8
195.13602	3.1
196.12474	10.9
197.09650	4.5
197.11575	4.2
197.13266	38.7
198.13893	5.5
199.11241	8.0
199.14801	14.1
201.12764	4.6
201.16371	4.2
203.08559	3.2
203.14360	7.6
205.10170	6.8
206.10931	7.4
207.11725	20.0
207.13824	9.5
208.12503	9.7
208.14516	4.1
209.13274	24.0
209.15257	5.2
210.13965	5.1
211.11336	4.5
211.14798	17.7
213.12798	6.6
213.16296	5.1
215.14299	18.2
217.10207	3.7
217.15921	4.4
218.10898	4.0
218.16658	4.8
219.11723	6.8
220.12485	10.0
221.13257	17.3
221.15401	20.8
222.14000	6.4
223.11125	3.5
223.14882	15.2
224.15596	3.5
225.12758	5.6
225.14621	19.9
225.16170	4.0
225.16750	4.2
227.14380	4.7
229.15938	2.8
230.11003	2.9
231.11612	5.2
232.12450	3.5
233.13266	7.7
233.15346	48.2
234.13890	4.1
234.16074	4.4
235.14796	11.8
237.12738	2.9
237.16522	17.8
238.13390	2.8
239.14510	3.8
241.16000	3.5
243.11734	2.5
245.13380	4.2
246.13905	3.5
246.16156	4.2
247.14836	10.0
247.17014	5.2
248.15509	2.4
249.16356	10.3
251.17961	6.1
253.15945	5.1
253.19630	4.1
255.17490	30.6
257.19046	4.2
259.14807	7.6
260.15527	3.1
261.16339	8.9
263.17984	5.2
265.19467	4.8
267.17462	4.6
268.18100	3.7
269.19019	6.0
270.19748	8.1
271.14761	4.0
271.20569	5.3
273.16046	2.6
273.18652	4.7
275.17947	9.2
277.19553	2.9
279.17371	3.1
281.19012	4.2
282.19693	3.8
283.20544	3.0
285.18527	4.8
286.19376	4.4
287.20117	3.8
289.19427	4.2
293.19101	3.8
294.19821	2.9
295.20459	3.5
299.20071	6.3
305.97949	2.3
309.22055	4.4
311.20175	4.2
323.19534	2.9
331.24112	4.0
337.25180	4.0
347.23672	4.5
349.25314	3.9
365.24765	7.2
367.26144	6.0
383.25821	14.1
399.26550	3.8
414.29062	5.3
429.31497	3.6
439.29608	3.2
457.30759	2.9
567.38580	2.6
582.40509	4.0
600.41443	5.1
618.42688	10.2
619.25049	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	619.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37302	14.7
60.08197	15.1
63.80021	14.9
69.39719	91.7
70.06586	72.3
71.44060	15.1
84.08151	19.3
86.09712	22.2
102.81367	16.9
108.18076	14.7
130.77991	15.2
210.66661	16.6
606.66870	20.4
619.18091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
56.05034	2.0
68.05027	0.5
68.06277	0.2
69.04428	2.2
69.20942	0.3
69.98412	0.2
70.06590	100.0
71.06918	1.8
72.08152	7.3
74.09705	0.5
81.93633	0.2
84.04502	19.3
84.08133	2.0
85.02896	0.8
85.04898	0.3
86.09692	2.1
88.03968	0.3
91.05470	1.4
93.07058	0.6
94.15797	0.2
98.23364	0.5
102.05539	17.3
103.05478	1.1
110.07140	0.6
112.08727	0.3
116.07087	1.3
118.08651	6.9
119.07321	0.4
120.08101	40.7
121.08452	1.4
127.03906	0.5
129.10229	1.1
130.04991	0.9
130.06506	0.6
131.04922	0.5
136.07541	0.4
145.04868	0.3
148.06050	0.6
158.09653	0.7
168.08179	0.3
169.13370	2.3
174.56604	0.2
178.17635	0.3
181.09708	5.4
183.15106	0.2
186.09128	8.7
187.09439	0.5
199.10780	0.5
203.11832	0.6
204.10179	2.5
209.09198	4.6
215.13902	76.4
216.14230	3.0
227.10237	2.5
231.11279	12.1
232.11557	0.6
245.11256	0.4
249.12343	12.6
250.12659	0.5
259.10776	5.5
260.11163	0.3
277.11810	4.9
308.16068	0.3
326.17056	2.7
344.18076	1.9
360.15518	0.7
378.16470	0.5
380.14145	0.3
388.15173	1.4
388.19293	0.3
402.17004	0.3
406.16034	2.3
480.43619	0.4
602.26849	0.3
620.34430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.05510	63.6
64.20056	2.1
67.05505	28.6
69.03423	7.0
69.07064	11.5
69.77365	7.9
79.05485	27.9
81.07059	21.5
83.04988	2.8
83.08621	37.5
91.05474	5.1
93.07047	11.8
95.08601	3.5
97.10167	87.1
98.10490	2.6
107.08591	30.4
109.10173	4.5
111.08064	5.4
117.07002	3.5
121.10136	2.6
123.27354	2.0
125.09630	89.4
135.08043	8.5
143.10725	3.6
153.09113	24.7
154.73662	2.0
171.10168	4.8
178.87244	2.2
189.11215	55.8
203.90167	2.1
227.12767	100.0
228.13086	4.1
245.13834	7.8
379.21219	10.4
397.22177	58.2
398.22781	2.9
415.23257	83.1
416.23517	4.0
549.30463	13.1
567.31580	30.7
585.32587	29.6
586.32526	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	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45147	0.5
53.03938	1.9
55.01870	1.6
55.05513	2.0
57.03440	5.7
59.04990	0.5
61.02927	51.4
61.17686	0.4
65.03935	0.6
67.05507	9.8
67.25311	0.4
69.03429	13.3
69.07064	1.4
70.06600	0.5
70.69421	0.5
71.01349	0.7
71.04976	2.2
73.02918	18.5
79.05496	2.5
81.02966	0.8
81.03420	6.3
81.07052	11.8
83.01335	0.9
83.04995	0.7
83.08617	1.1
85.02905	100.0
86.03235	1.8
87.04470	1.7
91.03954	52.3
91.05490	1.4
92.04295	0.6
93.07034	2.4
95.08604	10.8
96.04489	0.6
97.02890	42.9
97.06515	0.6
97.10175	0.9
98.03265	0.6
98.22655	1.2
98.26876	0.4
99.04458	4.8
101.02359	0.5
103.03958	1.0
105.07047	1.4
107.08575	1.8
109.02869	4.6
109.06541	0.6
109.10155	6.5
110.08340	0.5
115.03923	3.5
117.05482	0.9
119.08617	1.6
121.10169	1.9
123.08084	0.5
123.11720	3.7
126.05512	0.6
127.03916	30.7
128.04305	1.1
131.08577	1.0
133.10208	1.1
135.11697	1.3
137.13248	1.7
144.06580	1.8
145.04956	46.7
145.10139	0.9
146.05292	1.0
147.11690	0.6
151.11154	0.6
161.13319	0.7
163.06017	48.3
163.14720	0.6
164.06407	0.8
165.12750	1.0
173.13237	1.0
179.14310	1.3
180.08698	1.1
195.13857	0.6
201.16406	0.7
223.16937	0.9
243.21083	0.6
261.22144	1.0
279.23193	9.5
280.23550	1.1
308.81934	0.6
351.22986	0.5
361.82697	0.5
369.24255	0.7
405.26959	0.5
445.29199	0.9
620.35919	0.5
621.23621	0.6
621.32587	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.05141	1.0
69.29979	2.1
69.30389	4.7
69.60419	0.9
82.56519	0.9
83.04980	1.6
108.16010	1.1
115.80975	0.9
173.85042	1.0
221.13968	1.0
224.98549	1.0
301.88843	1.2
389.17911	2.5
390.18643	1.6
391.19055	1.8
401.17859	1.3
402.18723	2.2
403.19101	4.0
404.19922	1.8
405.20825	2.1
417.16418	4.9
419.22293	7.2
420.22803	1.1
424.69122	1.1
431.18164	8.1
432.19388	3.7
433.20236	2.4
445.19809	6.0
446.20959	6.9
447.21719	10.1
448.22186	1.4
459.22391	2.6
474.20505	5.6
475.21124	5.8
487.21481	3.2
488.22491	1.2
501.22775	2.3
505.25433	1.1
533.25555	12.8
534.26208	1.5
561.25000	19.2
562.24792	1.9
565.27039	1.0
593.27435	3.4
621.26971	100.0
622.27240	12.0
640.09070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.93521	0.4
50.98669	0.4
68.75215	0.4
76.57324	0.4
118.02479	0.4
131.53059	0.4
134.10519	0.5
141.59106	0.4
373.14661	0.5
375.16296	0.7
388.16733	1.1
389.17722	2.7
390.18716	1.0
391.19165	1.1
401.17606	1.6
402.18475	1.7
403.19437	4.7
404.20035	1.6
405.20648	2.6
415.19733	0.7
416.16049	1.3
416.20731	0.5
417.16382	4.5
417.21347	1.6
418.16992	0.7
418.21915	1.0
419.22412	6.7
419.27417	0.6
420.22800	1.3
429.16476	0.6
430.17358	1.1
430.22473	1.0
431.17984	6.7
432.18771	3.1
433.20041	2.9
434.20151	0.5
445.20105	6.0
446.20883	7.2
447.21808	10.8
448.22061	1.3
457.20297	0.6
459.22668	2.4
460.18506	0.9
461.19556	1.4
463.20776	0.5
473.19446	1.5
473.24222	0.8
474.20236	6.1
475.21280	9.2
476.21808	0.9
487.21344	4.2
488.21695	1.4
491.20938	1.7
501.23093	1.7
505.25800	1.5
518.23389	0.5
519.20551	0.7
529.22705	0.7
533.25616	14.1
534.25873	1.5
546.22247	0.7
561.24915	23.2
562.25397	3.0
589.24268	0.9
593.27350	3.6
594.27393	0.6
621.27045	100.0
622.27344	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42681	1.0
68.10933	0.9
69.14195	1.0
69.14889	3.7
69.15321	3.5
88.50029	0.9
89.02516	0.9
96.64115	0.9
98.68186	0.9
107.79359	0.9
110.47815	0.9
126.89285	1.0
169.28644	1.0
197.10831	0.8
221.10794	1.0
222.98244	1.0
224.13116	0.8
375.16251	1.6
387.16205	2.0
388.16849	2.4
389.17480	4.8
390.18384	2.3
401.18024	1.9
402.18735	1.8
403.19394	9.0
404.20032	3.7
405.20859	3.3
415.19568	2.3
416.16074	2.8
416.20621	1.3
417.17029	6.0
417.21094	4.2
418.17160	1.1
418.21988	1.4
419.22302	11.9
420.22748	1.6
429.21078	1.0
430.17969	2.6
431.18024	9.3
432.18863	5.1
433.20038	2.5
443.18909	1.8
445.16031	1.0
445.20337	10.9
446.20905	10.4
447.21771	17.5
448.22614	2.3
457.20560	1.2
459.21915	4.9
460.22913	1.5
473.19904	3.3
474.20428	16.2
475.21127	25.2
476.21719	2.9
487.21094	6.1
488.21829	3.5
491.20428	1.0
501.22580	2.6
502.23380	1.4
529.22162	1.2
533.25543	17.6
534.25696	3.3
546.22247	1.7
561.24939	100.0
562.25183	14.3
589.24408	2.5
593.27612	3.3
621.26990	99.1
622.27386	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24656	0.4
62.82411	0.3
65.97707	0.3
67.05454	0.4
69.03845	0.7
69.04260	2.3
69.07036	0.3
79.05435	0.4
81.07013	0.5
91.05429	0.6
93.95582	0.3
94.06503	0.4
105.06987	0.4
106.06515	0.5
107.54348	0.3
108.04380	0.4
132.08067	0.4
144.08023	0.4
146.05960	0.4
168.08009	0.4
171.42738	0.3
183.09131	0.4
184.09756	0.5
185.10646	0.6
195.09084	1.1
196.09885	1.3
197.10677	1.7
199.08572	0.5
207.09090	0.6
208.09703	0.5
208.11417	0.6
209.10718	4.9
210.11403	2.4
211.08640	0.9
211.12282	3.1
212.12949	0.6
221.10680	1.3
222.11336	1.0
222.13013	0.8
223.08607	0.8
223.12286	6.0
224.09396	0.9
224.13069	6.8
225.10231	2.2
225.13776	2.4
226.10590	0.4
226.14534	0.6
233.10738	0.4
235.08623	1.1
235.12340	0.9
236.09392	1.0
236.12999	0.5
237.10216	3.9
237.13835	4.9
238.10844	0.8
238.14619	1.6
239.08215	0.4
239.11722	0.5
239.15430	3.0
247.12236	0.6
248.13045	0.4
249.10223	1.5
249.13834	0.4
250.10980	1.7
251.08093	1.1
251.11806	1.7
251.15326	0.3
252.12546	1.0
253.13182	0.8
259.12347	0.4
261.13766	0.4
262.14621	0.4
263.08096	0.6
263.11884	0.5
263.15408	0.4
264.09036	0.5
265.09552	0.8
265.13370	4.5
266.10376	0.5
266.13904	0.7
267.14926	1.1
269.08859	0.4
275.15427	0.4
276.16037	0.4
277.09668	1.3
279.11227	1.4
288.14896	0.4
291.07755	0.5
296.11664	0.9
297.12399	1.1
300.15033	0.4
309.11856	0.4
310.13300	0.4
311.13947	5.0
312.14822	0.8
314.16373	0.3
324.11261	0.6
325.15845	0.3
326.12881	0.4
328.14508	0.4
330.15945	0.4
337.11835	0.8
338.12613	0.6
339.13461	1.0
340.14285	0.5
342.16031	0.5
352.14481	0.6
354.16351	0.5
368.13956	0.5
374.15891	0.4
377.17538	0.4
386.18167	0.3
389.13455	0.4
389.17944	0.9
390.18515	0.4
391.19104	1.1
392.19931	1.0
394.15430	0.5
402.15454	0.5
403.15015	0.7
403.19711	0.7
404.15952	0.6
404.20471	0.7
405.16461	0.7
405.20804	1.4
406.21573	0.4
416.17508	0.6
417.16745	1.8
418.17596	1.8
419.18472	3.8
419.23489	0.4
420.19025	0.8
421.24017	0.8
426.18353	0.4
430.18942	0.5
431.18765	1.7
432.19635	1.3
433.20187	4.6
434.20746	1.0
435.21863	0.6
445.20911	0.8
446.16891	0.6
447.17755	1.3
447.22244	1.2
448.17624	0.5
448.22516	1.6
449.23349	1.3
461.19046	2.7
463.21329	1.2
473.20050	0.8
475.21048	1.5
476.21918	3.1
477.22778	3.6
479.24701	0.5
487.21448	0.4
488.22150	0.6
489.23068	1.3
490.23602	0.5
503.24298	1.1
505.22488	0.9
506.23001	0.7
507.28140	0.8
516.21442	0.5
519.24432	0.5
520.24744	2.2
521.25195	1.0
522.26196	0.5
531.23773	1.1
533.21796	2.3
534.22571	1.4
535.27972	4.2
536.27216	0.6
546.23962	0.5
547.23364	0.5
548.24249	5.6
549.24866	1.1
563.26532	58.2
564.26831	8.4
591.26031	2.3
595.29346	1.5
623.28601	100.0
624.28955	14.5
624.39429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.2
56.68148	0.1
56.70090	0.2
57.02617	0.2
67.05511	0.2
78.45071	0.2
79.05489	0.3
80.05020	0.2
81.07057	0.3
94.06580	0.3
105.55055	0.2
106.06545	0.3
108.08123	0.3
120.08132	0.3
132.08076	0.2
132.95073	0.2
134.05934	0.2
144.08113	0.3
167.07378	0.2
170.09589	0.2
182.08336	0.4
182.09798	0.3
183.09239	0.6
184.09984	0.4
185.10701	0.3
188.68843	0.2
194.09816	0.2
195.09126	1.5
195.10440	0.2
196.09929	1.4
197.10675	1.4
198.11456	0.4
207.09230	0.8
207.99251	0.2
208.10013	0.7
209.10698	4.1
210.11456	2.0
211.08710	0.8
211.12248	2.9
211.14003	0.2
212.12891	0.4
220.05728	0.2
221.10672	1.0
222.11519	0.9
223.08844	0.9
223.12263	5.0
223.14320	0.3
224.09702	1.1
224.13049	6.2
225.10286	1.5
225.13811	2.1
226.10780	0.2
226.14520	0.4
229.47597	0.3
233.10840	0.3
234.11446	0.3
235.08531	0.9
235.12349	0.8
236.05759	0.3
236.09402	0.9
236.13133	0.4
237.10236	2.8
237.13864	3.8
238.10915	0.5
238.14595	1.6
239.08240	0.5
239.11691	0.6
239.15392	2.6
240.16037	0.4
247.12134	0.4
248.13153	0.3
249.10242	1.2
249.14018	0.3
250.11037	1.1
251.08217	1.1
251.11739	1.4
252.12640	0.8
253.13391	0.6
255.11284	0.3
261.10657	0.2
261.13849	0.6
262.14548	0.3
263.08191	0.5
263.11850	0.3
263.15430	0.5
264.08994	0.5
265.09827	0.6
265.13431	3.2
265.16098	0.3
266.10620	0.3
266.13968	0.4
267.14972	0.8
269.13074	0.3
275.15518	0.3
277.09738	1.4
277.12650	0.2
279.11377	0.7
282.13788	0.2
283.10837	0.4
283.14542	0.2
288.14774	0.3
290.16577	0.2
291.07834	0.3
293.84775	0.2
295.10880	0.2
296.11618	1.1
297.12332	0.5
297.15820	0.3
298.13297	0.2
299.15521	0.3
300.14996	0.4
305.09183	0.2
307.11017	0.2
309.08771	0.2
309.12476	0.4
311.13882	2.6
312.14740	0.7
313.15521	0.3
314.16721	0.4
316.18030	0.3
324.11438	0.4
324.15024	0.4
325.11905	0.4
326.12997	0.3
328.14569	0.5
328.18149	0.2
337.12030	0.8
337.15826	0.2
338.12952	0.5
339.13608	0.3
340.14487	0.3
341.15817	0.3
342.16159	0.5
350.16779	0.3
352.14465	0.4
354.15967	0.4
361.18350	0.2
375.16113	0.4
377.17572	0.4
389.17844	0.5
390.17801	0.4
391.19693	0.9
392.20087	0.6
393.20612	0.6
402.16779	0.2
403.15417	0.5
403.19666	0.6
404.15881	0.4
405.16968	0.9
405.21439	1.3
406.17303	0.3
407.22925	0.3
415.19418	0.3
416.17062	0.4
417.16992	1.5
418.17422	1.3
419.18521	2.3
420.19348	0.7
421.20059	0.3
422.14850	0.3
426.18158	0.2
430.18481	0.3
431.18988	0.9
432.19824	0.9
433.20193	3.5
434.21005	0.7
435.21930	0.5
441.17590	0.2
443.18234	0.3
444.17340	0.2
445.20938	0.5
446.16586	0.4
446.21811	0.5
447.18152	1.4
447.22482	0.7
448.18146	0.5
448.22784	0.8
449.24265	1.1
456.19241	0.3
459.17422	0.3
459.22437	0.3
460.18967	0.2
460.22418	0.2
461.18875	1.9
462.20523	0.7
463.20972	1.4
464.21729	0.3
472.20404	0.2
473.19470	0.4
474.20529	0.5
475.21097	1.4
476.22046	2.5
477.22870	2.3
478.23410	0.7
479.24304	0.3
488.21793	0.4
489.23523	1.0
490.23193	0.4
493.22000	0.4
500.18271	0.3
501.18936	0.3
503.24057	0.7
505.22403	0.8
506.22736	0.4
507.20355	0.3
507.28256	0.4
516.21527	0.4
517.22290	0.4
520.24463	0.7
521.22717	0.8
521.24176	0.7
522.26630	0.4
531.23889	0.5
533.21539	1.2
534.22131	1.0
535.23877	2.9
535.26239	2.7
536.27069	0.6
537.25446	0.3
545.22321	0.6
546.24390	0.4
547.23511	0.3
548.24109	2.9
549.24915	0.8
559.23309	0.2
563.26495	19.7
564.26843	3.1
573.21423	0.3
591.26044	2.7
592.26556	0.4
594.24500	0.5
595.29163	1.1
605.24164	1.0
606.23907	0.4
623.28589	100.0
624.28912	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
67.05517	0.7
69.88969	1.5
79.05507	0.5
146.06001	0.5
157.32430	0.4
224.13106	0.6
237.10315	0.6
237.14041	0.6
246.94423	0.4
250.11011	0.5
265.13516	0.7
311.13815	0.9
375.16199	0.6
387.15616	0.5
389.17697	1.7
390.18121	1.1
391.19144	2.2
403.19281	1.8
404.19980	1.1
405.20920	5.4
406.21487	0.8
416.19742	0.6
417.16412	4.1
417.21606	1.0
418.17596	2.1
419.18332	2.6
420.19180	0.8
421.20160	0.5
431.18234	3.9
432.19397	5.5
433.20190	7.1
434.20920	1.2
443.19153	0.5
444.19522	0.4
445.20270	1.8
446.21146	0.8
447.17670	0.5
448.23328	0.5
449.23474	1.2
459.21875	1.7
461.19080	2.4
462.20456	0.8
463.21329	1.5
475.21530	1.4
476.22110	3.1
477.23300	4.0
478.23175	0.8
487.20950	0.6
489.22638	0.8
490.23373	0.8
491.24243	1.3
503.24915	0.8
505.22485	0.6
519.23865	13.7
520.24341	2.3
521.25232	1.5
535.23828	0.8
563.26459	14.6
564.26892	2.5
579.25964	3.6
580.26355	0.8
581.27496	1.1
591.26099	0.6
605.39532	0.6
623.28595	100.0
624.28900	16.2
648.06775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.8
65.27885	0.7
69.42400	4.7
79.05510	0.9
80.93976	0.8
81.07060	2.0
83.08612	0.9
85.10195	0.9
89.06046	2.8
91.05489	1.0
93.07076	1.1
96.69080	0.8
98.22633	0.7
98.23148	2.0
105.07022	1.3
133.08661	1.2
143.52664	0.8
150.46364	0.7
150.86157	0.8
160.75490	0.7
166.02470	0.8
177.11336	1.0
183.09203	0.8
187.14973	0.7
237.13968	1.1
376.17136	1.1
377.17706	2.3
378.18338	1.4
389.18427	2.1
390.18832	2.4
391.19250	5.5
392.19870	4.1
393.21030	1.3
399.16208	2.0
400.16806	2.3
401.17633	2.7
402.19037	1.1
403.19864	1.4
404.20520	1.9
405.20895	5.7
406.21494	5.6
407.22321	16.6
408.22742	1.7
412.18073	0.9
413.17914	3.2
414.18289	5.0
415.19424	6.2
416.19980	2.2
417.21341	1.3
418.22000	1.2
419.17978	1.5
419.22421	3.2
420.23038	4.0
421.23816	14.2
422.24448	3.4
427.19318	2.7
428.19995	5.0
429.20874	16.4
430.21838	4.4
431.18195	1.8
431.23102	1.2
432.19321	1.5
433.20178	2.8
433.24496	2.3
434.25165	1.3
442.21594	3.4
443.22638	10.3
444.23560	6.5
445.20044	1.6
447.18253	3.0
449.23251	1.4
452.22284	1.0
455.18784	1.6
456.19485	2.1
457.24915	5.7
458.25171	9.5
459.21713	11.0
460.22433	3.4
461.18976	6.4
462.20404	2.9
463.21228	2.5
471.22232	2.1
472.22714	10.2
473.23376	3.4
474.20020	1.3
475.21191	10.5
476.21805	8.8
477.22726	5.2
478.23209	1.0
483.18332	1.2
485.23535	18.2
486.23929	6.0
487.21054	1.7
487.25214	0.9
488.22256	2.9
489.22504	4.2
490.23553	1.2
491.25024	1.4
493.26013	1.1
499.21045	5.4
500.22064	4.3
502.23508	2.4
503.24756	9.9
504.24686	2.5
507.24734	1.5
513.22577	5.8
514.23767	3.7
515.24670	1.2
517.26190	9.7
529.25879	3.1
531.23694	1.6
535.27191	6.7
545.25464	98.7
546.25690	14.6
562.25580	1.4
563.26385	2.3
564.27380	2.0
573.25024	22.0
574.25226	3.1
591.25903	1.7
605.27576	98.7
606.27905	15.5
623.28589	100.0
624.28906	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05505	1.3
55.73165	0.6
56.05048	1.1
57.03442	5.8
58.06592	3.2
59.05006	1.1
59.77171	0.6
61.02935	1.2
67.05506	2.4
69.03434	15.9
69.03761	0.9
69.04044	4.8
69.04449	1.3
69.07075	0.8
70.06602	3.4
71.04971	1.0
72.08149	1.8
73.02905	1.6
81.03407	1.0
81.07069	1.9
83.08617	0.8
84.08138	7.4
85.02908	17.2
87.04475	8.5
93.07025	0.8
95.08620	1.9
97.02908	8.3
98.09709	1.4
99.04466	0.6
109.10188	0.8
110.09702	1.5
112.11213	1.4
115.03961	5.2
127.03930	1.7
127.73420	0.7
128.10738	1.2
133.05008	2.7
138.98851	0.6
140.75375	0.7
167.05518	1.1
182.15450	1.3
210.14862	0.9
294.27942	3.9
312.28976	14.8
313.29196	1.1
317.06641	3.2
330.30002	24.6
330.33969	1.4
331.30408	1.6
444.33359	1.1
462.34335	1.6
474.34323	6.6
492.35254	11.4
493.35815	1.3
561.16504	3.3
606.38538	7.6
624.39502	100.0
625.22723	1.0
625.39868	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	625.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64117	0.5
56.96503	1.4
66.70959	0.6
70.06501	1.7
71.28017	1.1
84.08084	0.9
88.54297	0.6
112.46603	0.5
114.95561	3.3
129.10126	1.4
130.94899	2.2
132.96596	6.5
136.07431	0.8
148.95987	1.2
150.97633	2.8
152.86061	0.6
155.00064	1.2
173.01157	1.2
174.97577	1.4
175.02797	1.3
181.25052	0.6
183.98778	0.6
184.99623	0.7
192.98578	0.9
194.98079	1.0
195.52760	0.6
196.99712	14.2
197.99889	1.0
199.01149	0.6
203.00558	1.0
203.07594	0.6
207.79539	0.6
210.97554	1.0
212.99211	7.3
215.00775	23.6
216.00795	1.7
222.97498	1.2
224.99106	0.9
228.98660	1.5
231.00276	13.3
232.99712	1.2
233.01846	17.0
234.01855	1.2
240.98688	10.3
241.98836	1.3
243.00183	0.8
246.99722	1.7
249.01180	1.0
256.98190	1.4
257.01770	1.2
258.99747	28.0
259.99835	2.3
261.02887	4.3
267.03848	0.9
269.05286	0.8
275.09332	0.7
277.02686	11.5
278.02789	1.2
279.03903	14.2
280.04028	0.9
281.01740	1.1
283.03372	1.1
284.97665	3.6
287.00748	2.1
291.00269	0.8
293.01752	4.4
295.03415	16.4
296.03467	1.1
297.04932	11.6
298.05096	1.3
302.10233	0.8
302.98450	7.1
305.01794	12.1
305.10684	1.3
306.02051	1.2
309.01138	2.0
311.02896	8.8
312.03168	0.9
313.04437	12.0
314.04565	1.1
315.06015	3.4
321.01392	13.8
322.01474	1.6
323.02875	22.0
324.03009	2.3
330.99762	14.3
331.99823	1.2
337.00681	1.4
339.02380	22.9
340.02597	1.6
341.03934	8.9
346.99210	1.6
349.00809	42.1
350.00977	3.4
356.99374	0.8
357.03418	4.8
358.94122	0.6
365.00290	2.2
367.01859	28.5
368.02136	2.9
374.98709	10.1
385.02740	3.8
392.99762	22.9
393.07730	0.9
393.99948	2.0
411.00876	19.8
412.01178	2.0
418.97690	2.6
429.01965	2.0
436.98804	100.0
437.15005	2.0
437.99069	8.4
454.99860	84.2
456.00015	7.6
473.00961	1.0
478.01523	2.4
552.40375	0.7
579.96167	0.6
625.01971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30402	0.4
83.01012	0.3
86.63914	0.2
91.68546	0.2
95.01036	0.2
113.97927	0.4
125.02129	0.3
125.55283	0.2
130.35260	0.2
140.13730	0.2
150.10612	0.2
185.04179	1.9
197.72652	0.2
201.03691	0.8
203.05273	5.0
259.07895	8.9
271.62051	0.2
275.07492	0.3
287.07364	0.3
301.08908	1.0
329.08359	1.1
339.30890	0.3
346.08276	0.2
347.09479	58.3
348.09836	2.6
348.69714	0.3
367.14056	0.3
444.76547	0.2
462.17041	0.3
493.47318	0.2
625.31934	100.0
626.32233	12.3
626.42664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71077	0.7
55.05511	5.9
67.05514	2.1
67.97434	0.8
69.28585	1.1
69.28992	5.0
79.05503	1.9
81.07036	1.4
83.04990	1.0
83.08616	4.0
95.74485	0.9
97.10179	6.7
107.08615	2.9
110.49850	0.7
119.65558	0.8
121.60276	0.8
125.09624	9.1
135.08093	1.0
189.11292	3.2
211.09460	6.7
227.12823	3.9
229.70840	0.8
437.21552	13.6
438.22675	1.1
625.31927	100.0
626.32513	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49081	0.3
53.35689	0.2
55.05511	0.6
56.05033	0.8
58.06597	0.7
60.04525	1.1
61.01156	0.3
63.45356	0.2
67.05485	0.3
68.05025	0.5
69.03425	0.7
69.07067	0.8
70.02958	0.3
70.06592	100.0
71.06925	1.4
71.30463	0.4
72.07750	0.5
72.08154	9.3
73.08492	0.4
75.11304	0.2
79.05511	0.6
81.07072	0.5
82.06551	0.3
82.42079	0.2
84.04524	0.4
84.08140	2.4
85.02906	0.6
86.09705	26.5
87.05585	0.4
87.10043	0.6
91.05478	0.4
93.07054	0.3
95.06086	0.4
95.23071	0.2
97.02920	0.5
98.06084	0.4
98.09702	0.6
99.04489	0.3
103.05482	0.3
104.05313	1.7
109.02869	0.5
110.07198	1.0
110.09634	0.4
112.07613	0.6
112.08735	0.6
114.09185	0.8
115.08718	1.5
116.07098	6.6
119.08594	0.3
120.08103	6.1
120.08902	0.5
121.08384	0.3
123.08068	0.2
125.10802	0.4
127.03969	0.3
127.08714	0.5
128.10675	1.2
129.10255	1.1
129.11124	0.3
130.04976	0.3
136.07613	0.4
137.07085	0.3
138.58931	0.3
140.14381	0.9
143.11835	0.2
145.05052	0.3
152.07101	0.3
154.15929	1.0
155.08194	0.5
155.11784	0.5
157.09734	3.7
157.10884	0.3
157.13293	0.3
167.08154	1.3
173.12849	1.3
177.10300	0.5
183.11476	1.9
183.14932	28.3
184.15265	1.0
185.09212	3.1
185.12970	0.3
185.16498	1.5
195.07703	1.0
201.12344	1.8
205.09741	0.3
211.14413	21.5
212.14757	0.9
213.16064	0.7
215.13927	2.9
217.11816	0.5
225.16000	0.4
227.17522	0.4
228.17076	1.4
237.16026	0.3
241.19171	1.1
246.09225	0.4
252.17053	0.4
253.15492	0.4
263.14017	0.4
269.18704	0.6
270.18115	0.4
280.16565	3.6
282.21677	1.9
291.74194	0.3
298.17587	5.5
299.17599	0.5
300.19028	0.5
310.21228	13.5
311.21664	0.7
328.22406	0.5
334.21408	0.7
352.22324	0.4
362.20764	0.7
365.25546	0.4
369.25223	0.7
379.23581	0.9
383.26483	3.4
393.25037	1.0
393.62680	0.2
395.30722	0.3
397.24429	4.9
402.24973	0.6
411.25980	10.0
412.26422	0.8
423.29590	1.4
425.27728	4.8
428.26254	1.0
464.32065	0.5
465.30743	1.2
475.29123	0.5
482.33289	5.2
483.33719	0.6
492.31793	3.8
510.32858	14.7
511.33130	1.5
625.21497	0.6
625.30713	4.6
625.39355	0.7
626.31378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2815
Annotation	Humilinolide E
Peak:m/z	Relative Intensity
67.05514	11.5
71.12775	2.8
71.30804	3.9
79.05492	6.9
81.07068	12.7
87.13783	2.6
87.87480	2.6
89.06026	14.6
91.05476	10.0
93.07048	8.2
95.08634	9.4
105.07001	6.4
107.08587	2.9
107.80490	2.8
109.10165	5.2
117.07005	4.3
119.08527	5.2
121.10174	3.7
129.07027	3.9
131.08624	4.2
133.08626	10.5
133.10165	4.5
135.11761	3.5
138.95464	2.8
149.31136	2.9
275.20117	8.0
276.99344	3.5
310.28375	3.1
310.97443	3.0
343.46240	3.6
349.23813	5.1
404.19440	4.0
406.16751	3.2
415.24881	3.9
421.20496	5.2
434.21054	3.3
437.23544	4.2
449.23566	7.0
453.22919	10.2
497.25839	4.9
507.23831	4.2
523.26898	11.3
540.27551	19.8
541.27740	4.8
551.26495	5.1
567.25818	14.5
583.29315	5.3
585.27527	5.0
595.25562	11.0
609.27002	4.4
609.44861	8.3
626.65668	3.5
627.28076	100.0
628.28320	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.9
67.05476	2.1
69.07036	0.6
70.44225	1.1
70.44576	1.1
79.05475	1.3
79.77624	0.6
81.07053	2.5
91.05451	1.9
93.07014	2.0
94.06516	0.5
95.08566	1.8
105.07005	2.0
107.08604	1.2
109.06521	0.6
109.10144	0.8
111.07984	0.5
116.06294	0.5
119.08569	0.9
120.08003	0.8
131.08479	0.9
157.10112	0.7
158.05981	0.7
173.10771	0.6
185.10713	0.8
189.10220	0.8
197.10719	1.0
209.10631	0.9
211.12263	0.6
221.10767	1.3
223.12289	1.4
224.13217	0.6
225.13817	1.2
232.09653	0.6
233.10733	1.4
234.11487	0.8
235.12270	1.5
236.12961	0.5
237.13837	1.3
238.14595	0.6
239.11761	0.7
246.11528	0.7
249.13974	1.1
250.14763	0.6
251.15408	0.6
262.13351	0.6
263.15387	1.0
274.13196	0.8
275.20105	1.8
278.13025	0.7
288.14984	0.8
290.12939	1.0
302.16711	0.6
304.14526	0.6
314.16547	0.6
318.15994	1.4
326.16629	1.0
328.17743	0.8
335.25986	1.1
338.16434	1.4
339.16129	1.8
340.17764	0.7
342.16159	0.6
349.15259	0.9
350.16656	0.8
351.17062	0.6
352.17780	2.6
353.17798	4.9
354.18799	1.7
355.19778	1.4
363.16211	1.6
364.17453	1.3
365.17780	2.2
366.19180	1.6
367.15353	1.3
367.19379	4.3
368.20633	2.0
369.16867	1.0
369.21170	1.2
377.18018	0.9
378.18857	1.3
379.19366	2.3
380.20129	1.5
381.17062	2.3
381.21310	3.1
382.17972	1.7
383.18292	0.8
383.22620	2.8
392.20175	0.7
393.16846	0.8
393.21094	1.2
394.17908	0.9
395.18192	3.2
395.22617	1.9
396.19373	1.7
397.20325	3.2
398.18790	0.7
405.21518	0.7
406.17932	1.1
407.18646	2.3
408.19632	1.2
409.20432	4.9
410.20969	1.8
411.22183	6.1
412.22580	2.8
421.20282	2.0
422.21075	2.4
423.22595	3.5
424.17914	0.9
424.22556	2.3
425.19559	8.4
426.20840	1.2
426.81760	0.5
427.21869	0.6
435.21741	1.3
436.22458	1.7
437.24207	4.3
438.20148	4.4
439.21155	6.0
440.22018	6.1
441.23087	1.6
451.20978	1.1
452.22418	1.1
453.22717	3.5
454.24197	2.3
455.25348	0.9
463.21457	0.7
467.24487	0.9
468.25629	0.7
469.21609	1.6
469.26120	3.6
470.23282	2.4
481.22522	1.9
482.23398	1.2
483.24884	4.7
493.22165	0.7
495.23834	1.4
496.24670	2.2
497.26361	14.2
498.26541	6.6
509.25400	2.4
511.23456	2.3
525.24969	3.2
526.25696	3.2
540.26923	0.7
541.28137	13.2
542.28162	1.6
551.26563	1.1
556.23102	1.4
569.23914	0.8
570.24902	1.0
583.29114	15.2
584.26306	11.7
585.27100	100.0
586.27454	11.9
599.28516	1.5
609.45551	1.0
627.28143	48.9
628.28564	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01876	10.8
55.05269	3.5
55.05514	39.1
57.03432	16.1
57.07077	4.8
57.42423	2.1
58.06610	2.2
60.22965	1.8
62.08298	2.1
65.03942	7.3
67.05510	100.0
69.03434	4.3
69.07073	38.0
71.05002	8.4
71.22352	3.9
77.03957	2.0
79.05496	84.6
81.03394	2.5
81.07063	100.0
83.04982	11.0
83.08637	20.9
85.06544	3.4
89.06017	3.5
91.05486	61.2
93.07052	82.3
94.07427	2.4
95.04962	10.0
95.08611	60.3
97.06532	15.0
97.10149	13.0
99.08088	6.2
103.05502	2.8
105.04542	2.2
105.07037	65.5
107.04966	8.5
107.08601	59.5
109.06520	5.8
109.10155	33.3
111.08104	5.1
113.09660	2.7
115.05424	4.1
117.07039	21.3
119.08588	50.1
121.06470	3.7
121.10147	38.0
123.08067	5.0
123.11703	11.6
125.09633	7.0
128.06258	4.1
129.07004	11.7
131.08574	36.3
133.10126	38.0
134.10564	2.1
135.08087	6.4
135.11697	25.3
137.09615	4.9
137.13297	2.9
141.06963	4.7
142.07782	4.3
143.08569	18.4
145.06500	2.3
145.10136	34.9
147.08089	2.5
147.11697	26.2
147.88773	2.1
149.09628	19.6
149.13264	8.4
151.11182	3.3
155.08582	7.2
157.10129	18.4
159.11685	27.4
161.13258	13.5
163.11195	7.4
163.14854	5.6
169.10187	9.9
171.10349	2.5
171.11658	12.9
173.13249	15.7
174.13571	2.1
175.11256	2.6
175.14830	5.5
177.12733	2.7
177.16438	2.6
181.10081	2.8
183.11678	10.2
185.13298	13.4
185.43095	2.2
187.11198	3.7
187.14868	10.7
189.11253	4.2
189.16409	2.8
197.13269	9.0
199.14857	5.4
201.16376	5.6
203.14235	3.3
205.15851	2.2
209.13309	4.7
211.14870	2.5
213.16458	2.8
215.14342	2.6
215.18184	3.3
219.17455	12.2
223.14954	2.5
225.16473	4.1
227.12846	6.4
227.17978	3.8
229.19415	4.4
237.16280	3.5
239.17986	4.9
241.19591	3.0
243.21202	2.6
251.20131	2.5
251.99098	2.2
257.19040	12.4
259.20685	6.2
261.22128	8.7
262.35980	2.0
267.15897	4.8
275.17105	4.1
275.20087	64.8
276.20416	4.4
293.21097	3.6
297.22086	2.6
317.24319	2.6
333.24225	4.9
335.25821	49.1
336.26199	4.5
349.23743	24.2
351.25101	3.2
421.30206	2.1
489.37616	2.1
501.35495	2.2
515.37097	4.5
517.39948	6.4
535.41260	6.9
553.42596	4.9
555.40259	13.3
556.40936	3.0
591.44098	3.8
609.45154	51.0
610.45636	9.3
627.26196	4.2
627.46204	53.7
628.46265	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	628.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06130	2.3
51.28690	2.5
52.19323	2.6
57.03434	15.4
57.07085	3.1
61.02917	6.7
67.05501	10.6
69.03430	60.1
69.07060	10.2
69.15608	3.0
69.34231	17.2
70.06596	20.5
71.04995	4.2
72.08150	6.9
73.02914	4.7
79.05492	9.4
81.03416	9.2
81.07056	98.3
84.08134	4.3
85.02901	100.0
85.06548	3.2
86.09705	13.0
87.04460	31.1
91.03942	3.6
91.05497	3.2
93.07050	6.5
95.04987	4.3
95.08604	29.9
97.02887	66.8
98.03192	2.5
98.23409	4.5
99.04429	7.1
105.07007	3.8
107.08590	5.7
109.02882	10.4
109.10134	5.2
111.11718	7.4
115.03932	73.4
115.05505	2.9
116.04257	2.7
116.07123	3.1
119.08571	6.8
121.10152	4.2
123.11674	3.0
127.03925	23.2
129.10245	3.2
129.19901	2.5
132.66101	2.8
133.04959	79.9
135.11729	3.0
137.13249	39.4
141.60564	2.7
145.04961	41.8
149.13245	3.8
153.12686	2.9
155.14313	10.3
163.06036	29.2
175.34976	2.7
241.07190	3.1
259.08212	6.5
269.17642	3.5
277.09161	4.2
295.10297	6.5
325.11234	10.0
473.34467	3.2
628.32617	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	628.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	0.5
55.05511	2.8
55.17934	0.6
57.07077	31.4
58.07407	0.8
59.04995	1.0
60.06755	0.6
60.69728	0.5
67.05494	2.3
69.07076	4.6
69.75375	0.9
69.75786	2.0
71.08635	29.7
72.08976	1.0
72.73576	0.7
73.06557	8.4
74.64243	0.6
76.56805	0.6
76.91438	0.6
79.05482	1.4
80.81701	0.6
81.07070	2.7
83.08629	5.4
84.08915	0.7
85.10188	18.1
87.04465	6.4
89.06033	100.0
90.06357	1.1
91.05441	1.0
91.07587	0.6
93.07051	0.9
95.08570	1.5
96.08331	0.6
97.10157	4.8
99.11749	3.1
104.47605	0.6
105.07043	1.5
107.07050	3.4
107.08585	1.1
108.70815	0.6
109.10201	1.1
111.11716	2.8
113.13304	1.8
117.09119	5.8
119.08543	0.7
121.10184	1.0
125.13255	2.2
127.14841	2.2
130.08630	1.9
131.07059	2.0
131.08521	0.6
133.08606	55.2
134.08965	1.0
135.10208	1.2
139.14859	0.5
141.16394	2.0
142.32443	0.5
155.17979	0.6
161.11751	1.5
175.09636	0.6
177.11227	22.2
178.11597	1.2
197.22655	2.1
221.13824	3.8
223.15257	0.7
236.14890	0.8
239.14981	0.8
241.25262	1.8
275.20099	0.8
283.17429	1.8
285.27859	6.6
327.20169	1.7
329.30466	3.5
335.25775	0.8
371.22348	1.0
415.25482	3.5
567.44843	0.7
610.45215	1.0
611.47363	4.0
628.27966	1.0
628.49310	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.69156	0.3
69.56969	0.6
69.57378	0.8
91.29160	0.3
98.23296	0.6
137.21553	0.3
255.92302	0.3
319.74521	0.3
362.38861	0.3
384.12436	0.6
385.13184	0.5
396.12299	1.8
397.12857	3.3
398.13712	2.4
399.14560	1.8
400.15390	1.3
409.13080	1.0
410.13739	3.7
411.14517	8.7
412.15204	6.9
413.16116	5.6
414.16800	1.0
423.15298	2.2
424.11230	1.7
424.16281	3.9
425.16235	19.9
426.16891	13.7
427.17612	4.9
428.18536	4.5
429.19363	0.8
435.14243	0.4
437.11777	0.6
437.16428	1.2
438.12302	4.5
439.13547	23.8
440.14053	4.2
440.19406	9.3
441.19296	46.6
442.13504	0.3
442.19553	8.1
451.13293	0.5
451.18311	0.5
452.14484	5.9
453.15329	27.8
454.15729	9.5
455.16693	1.6
456.17944	2.5
457.14777	0.9
457.19177	0.4
458.15320	0.6
463.14362	0.8
464.14026	0.4
465.15747	0.5
466.12082	0.8
466.17072	1.0
467.17160	33.1
468.17844	27.9
469.18744	15.9
470.19165	3.1
471.16623	1.7
472.17319	1.2
478.16663	0.6
480.17703	1.0
481.14709	15.2
482.15015	5.7
483.15363	1.5
484.21857	3.9
485.18234	2.7
486.18872	1.0
493.15402	0.4
494.17502	0.6
495.16791	3.1
496.17160	16.4
497.17435	4.6
498.19214	2.0
499.19604	2.1
500.20764	5.3
501.21307	0.8
507.20001	0.6
508.19199	0.5
509.18640	2.0
510.18588	0.7
511.19870	0.6
512.20880	4.2
513.21765	7.3
514.22565	2.4
523.19891	2.0
524.20197	0.9
525.21271	0.9
526.18665	0.9
527.19495	0.9
528.20081	1.1
531.22449	0.7
537.18146	1.0
539.19287	0.5
541.20844	37.9
542.21088	7.8
551.19135	0.6
553.21326	1.2
554.18011	0.9
559.21368	0.6
569.20306	100.0
570.20612	18.8
572.18951	1.0
573.23663	2.7
574.23871	0.6
586.20874	0.4
597.19708	24.9
598.11395	0.4
598.20197	4.8
600.22241	1.0
601.22992	10.0
602.23108	1.5
615.21051	0.7
629.22296	57.3
630.22534	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	629.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29631	5.2
55.05533	5.4
56.68077	5.8
64.01617	5.4
69.64740	5.6
70.06602	6.1
70.21564	22.2
75.59632	5.4
87.91763	7.0
94.06554	7.8
104.90955	5.5
105.07042	7.3
107.07319	7.8
108.08188	6.6
117.06262	6.2
122.06052	11.0
122.09674	18.7
135.06805	8.7
136.07599	16.7
142.31792	5.4
150.09152	78.0
164.07098	9.7
223.08624	9.4
225.10214	15.5
237.10257	12.5
238.10916	6.2
239.11844	14.0
249.10170	9.7
250.11047	10.4
251.11772	29.6
253.13353	13.8
254.10588	6.7
260.59845	7.7
263.11761	24.0
264.12518	21.9
265.09671	14.2
265.13458	35.0
279.11313	10.9
281.12933	13.8
283.10806	6.4
289.27252	5.9
291.11490	6.8
293.12671	8.9
296.11569	10.3
299.13800	13.0
309.12375	65.3
310.12781	7.0
311.13745	33.1
319.10559	7.5
327.13364	74.9
337.11877	24.0
338.12637	15.5
339.13257	17.9
359.15964	8.0
369.14456	59.7
371.15970	53.6
416.19971	11.6
432.18869	29.3
433.19775	8.2
448.18512	16.5
460.18686	100.0
461.18872	9.6
476.21790	34.4
480.21494	10.6
492.21231	45.3
597.26837	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	629.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59946	1.3
67.05515	2.1
69.88810	1.3
81.07037	1.6
83.60883	1.4
91.05489	2.1
93.07039	2.4
95.08623	1.9
98.23361	3.7
173.65453	1.5
223.12384	1.8
237.13982	2.3
261.13858	1.8
289.16910	2.4
319.54443	1.3
352.18161	1.7
354.19345	1.9
363.16315	1.4
367.19016	2.1
374.72607	1.4
377.17639	5.2
378.18246	1.6
379.19162	3.1
381.21066	1.8
389.81204	1.4
391.19229	4.7
392.20050	2.2
393.20691	2.3
395.18488	2.1
405.20874	4.9
406.21387	2.5
407.22476	6.9
409.20303	6.6
421.24179	6.7
423.21912	8.3
424.22336	2.1
451.21359	2.6
465.22910	9.7
481.25873	2.8
482.23264	2.1
497.25479	12.2
498.25421	2.4
511.27414	2.6
512.27173	1.8
525.24377	2.1
538.25049	1.3
541.24695	2.3
553.28308	19.8
554.28448	3.9
555.26361	2.7
561.86761	1.4
569.27716	14.1
570.28070	3.7
585.30725	100.0
586.30988	14.9
629.29199	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	629.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.81104	0.6
56.05028	0.6
59.03842	0.6
60.08365	0.5
67.18570	0.7
69.03419	2.5
69.82550	1.5
69.82907	1.2
70.06593	89.1
71.06934	1.0
72.08158	0.6
81.03412	2.5
81.07082	0.7
84.08136	1.5
85.02899	4.9
86.06058	1.8
86.09711	1.1
91.05459	0.7
93.07040	1.6
95.06089	1.1
95.08614	1.4
97.02895	2.4
97.07730	0.8
98.06067	1.1
99.04488	1.3
103.03102	0.7
103.05453	4.8
109.02876	10.1
112.08737	6.5
113.07127	12.5
114.05563	1.2
115.08701	9.2
116.07104	4.8
120.08105	98.9
121.06518	1.3
121.08424	2.2
124.07491	0.8
125.07162	0.9
127.03903	5.5
129.10231	1.0
140.08211	2.8
147.11662	0.9
158.09297	2.0
158.40764	0.6
161.13408	0.8
167.11829	1.0
169.04985	1.8
175.11826	0.8
185.10408	1.9
187.06084	3.2
193.14532	0.9
194.12926	1.2
195.11343	1.8
205.07153	1.9
212.13855	3.9
213.12437	1.5
235.13332	1.8
237.13458	13.3
242.12961	0.7
247.08089	4.0
253.14386	4.2
254.16037	1.9
255.14549	6.8
272.17172	2.6
289.16644	1.4
352.19812	7.1
369.22522	1.6
378.58566	0.8
499.25925	0.9
514.27838	2.2
532.28723	3.2
549.06250	0.8
629.34033	100.0
630.34326	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	629.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16904	1.1
59.81292	1.0
69.07098	1.2
69.41463	3.7
69.41864	2.5
70.06602	2.5
81.07093	1.3
86.09699	2.0
93.07091	1.3
95.05007	1.4
105.07025	1.4
113.79881	1.0
118.98813	1.0
120.08144	1.5
129.92067	1.2
153.05487	1.2
218.22061	1.1
485.30899	1.5
549.34302	2.7
567.35205	7.4
569.33026	2.0
611.34113	2.2
629.35040	100.0
630.35303	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	630.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01874	2.0
55.05507	3.7
56.05014	1.6
57.03426	1.3
58.06592	2.7
61.02919	1.0
61.23026	0.7
66.53154	0.7
66.69191	0.7
67.05508	6.9
69.03435	4.6
69.07063	8.4
70.06593	14.5
70.16643	0.7
71.04990	4.9
72.08156	11.5
73.02898	1.0
73.06522	0.9
74.06064	0.8
77.03938	0.8
79.05492	8.2
81.03399	2.9
81.07056	19.6
83.04975	8.9
83.08617	2.5
84.04505	4.2
84.08142	8.3
85.02903	16.0
85.06529	2.9
86.09701	25.8
87.05546	0.9
87.10028	1.7
91.05487	5.8
93.07043	22.9
95.04951	5.4
95.08601	20.1
97.02892	4.2
97.06535	11.7
98.06065	1.3
99.04450	16.3
100.30695	0.8
101.06048	1.2
101.07151	1.5
102.05522	2.1
103.03930	7.6
105.04484	0.9
105.06374	1.3
105.07034	15.3
107.04962	2.0
107.08601	10.7
109.02870	3.2
109.06520	15.3
109.09486	1.0
109.10126	4.5
110.07158	1.8
111.08075	9.5
112.08650	1.0
113.05994	2.5
115.08686	1.7
116.07105	1.0
119.08588	10.9
120.08089	3.1
121.06500	43.5
121.10143	3.1
122.06860	1.4
123.04424	3.4
123.08060	3.4
123.11687	3.5
125.06002	7.2
127.03899	12.2
127.07542	5.4
127.08615	1.1
127.11212	0.8
128.10727	1.1
129.06755	0.8
129.10197	5.1
130.11958	0.8
131.08611	1.7
133.06480	1.3
133.10129	8.9
135.04402	2.4
135.08060	5.9
136.07587	4.3
137.05980	2.3
139.07550	10.8
141.05458	1.2
141.10260	0.9
142.07748	1.3
143.07082	5.3
143.08502	2.9
143.11859	1.3
145.04956	7.7
145.10107	3.4
147.08038	1.9
147.11681	19.9
149.09662	0.9
149.13182	1.7
151.07654	1.0
151.11172	3.6
153.09019	0.8
155.08273	1.3
156.09305	1.3
157.08606	8.0
157.10109	6.0
157.13376	2.3
159.06514	6.7
159.07718	1.3
161.13261	6.4
163.05997	6.3
163.14821	0.9
165.12758	6.8
166.07784	1.1
169.12239	8.5
171.11650	8.0
173.09581	1.7
174.10280	0.8
175.11186	18.1
180.08612	1.2
181.10088	2.2
185.12865	2.9
186.08858	0.8
189.12737	12.7
191.10617	1.0
193.12239	16.3
194.12564	1.3
199.11171	18.3
201.12332	0.9
205.07077	1.4
207.13808	8.3
211.13271	16.4
217.12230	39.8
218.12608	2.0
225.14931	1.1
229.14317	10.6
235.13275	63.8
236.13634	3.4
253.14342	100.0
254.14778	6.1
271.08133	2.1
271.15390	24.9
272.15741	2.0
289.09262	1.4
289.16434	25.6
290.16815	1.2
300.15546	1.4
307.10272	2.3
313.18695	1.2
387.06735	0.8
397.18512	1.1
398.67288	0.8
433.26404	1.6
630.30457	3.2
630.39166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05516	21.6
56.05049	3.7
57.03440	10.0
57.07080	6.5
67.05504	22.9
69.03442	21.4
69.07067	41.9
70.06596	38.8
71.04991	6.1
72.08162	12.6
74.19289	2.6
79.05514	10.7
81.03438	8.4
81.07051	33.5
81.07457	2.6
82.06570	3.2
83.05011	4.1
83.08628	27.9
84.04523	4.5
84.08130	14.0
85.02905	38.5
85.06525	5.1
86.09708	26.7
87.04494	9.8
91.05489	14.2
93.07066	12.4
95.08596	28.6
96.08144	4.6
97.02890	21.2
97.06511	6.1
97.10168	29.5
99.04462	6.5
99.08112	3.3
102.05552	2.7
103.03976	5.8
104.07141	3.9
105.07053	9.9
106.25219	2.2
107.08624	10.9
109.02876	15.4
109.10152	13.2
110.07174	4.0
110.09710	6.0
111.08080	4.4
111.11739	14.0
115.03979	5.4
115.54078	2.2
119.08611	8.8
120.08148	5.1
121.10148	17.4
123.08102	3.1
123.11735	9.0
125.09650	4.1
125.13319	3.1
127.03928	20.6
129.09378	2.6
129.10304	8.0
133.05043	2.9
133.10106	13.1
135.11688	18.9
136.07623	5.1
137.09639	3.4
137.13289	5.0
145.05009	7.2
147.11726	8.8
151.11226	4.9
151.14894	4.1
153.12856	6.6
157.12378	2.6
161.13309	10.7
163.06078	6.0
165.12814	5.9
171.13924	2.5
175.14851	2.8
179.14374	4.2
179.33943	3.0
187.06114	9.0
193.19691	3.3
205.07033	3.3
210.88260	2.4
217.19547	22.5
235.20573	37.6
235.22670	3.4
247.08208	6.1
253.21634	84.9
254.22066	5.0
271.22687	83.5
271.25500	4.1
272.23126	6.3
289.23901	11.4
318.27908	14.0
336.29019	17.6
337.29468	4.5
480.33398	8.1
498.34528	8.9
612.37262	13.0
616.96466	2.5
630.38654	100.0
631.29797	4.3
631.38812	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	630.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26264	0.9
56.05038	0.9
57.03428	5.2
58.06593	1.2
66.75429	0.8
67.05506	1.5
67.46294	0.8
69.03435	13.0
69.81189	1.0
69.81522	3.1
71.04986	0.9
72.08131	1.5
73.02924	1.4
79.05497	2.7
81.07072	1.8
82.06582	1.6
84.08175	3.8
85.02907	15.4
86.09691	1.3
87.04475	8.5
88.07653	2.2
91.05482	2.6
93.07046	1.2
96.08136	5.9
97.02894	10.1
98.09703	2.8
98.22729	0.9
109.02930	0.9
110.09677	4.9
111.10479	2.1
112.11244	3.7
115.03911	5.4
122.09747	0.9
124.11227	2.2
127.03917	1.3
133.04962	2.4
135.15753	0.9
152.14294	0.8
194.18987	1.0
216.09737	0.8
230.49986	0.9
318.27890	19.8
336.28983	22.6
337.29395	1.5
360.29141	1.0
378.30261	1.2
480.33368	9.4
498.34299	9.4
499.34946	1.5
612.37433	19.8
613.37921	1.9
630.38458	100.0
631.38843	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	630.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43501	0.4
55.01888	0.9
55.05505	1.3
56.05030	1.8
56.58927	0.3
57.03432	4.7
58.06601	3.4
59.04993	1.3
60.04515	0.5
61.02948	0.9
62.83591	0.4
67.05487	1.5
69.03426	17.9
69.07078	1.2
71.04992	1.0
71.30627	0.7
72.08149	3.1
73.02921	1.4
74.76020	0.4
75.04469	1.0
79.05499	3.1
81.03422	2.1
81.07063	3.1
84.04507	0.5
84.08141	10.1
85.02900	20.1
85.06537	0.7
86.09698	5.8
87.04467	8.1
88.07614	0.5
91.05476	3.0
93.07047	1.9
95.04993	0.7
95.08604	1.6
96.08110	2.2
97.02880	10.6
97.06500	0.5
98.03252	0.5
98.09683	0.5
99.04464	1.2
102.05541	0.6
105.07031	1.4
107.08588	1.2
108.08080	0.5
109.02874	5.4
109.10162	0.6
110.07150	0.7
110.09684	2.3
112.11246	1.7
115.03926	4.6
117.07014	0.5
119.08598	1.2
120.08082	1.1
121.02885	1.7
121.10101	0.6
124.11250	0.9
127.03902	4.4
128.10678	1.9
129.10249	1.4
133.04996	1.7
135.11707	0.5
138.93411	0.4
145.04977	1.1
152.14348	0.6
153.61320	0.4
158.43573	0.4
159.09247	0.4
187.06039	1.9
193.66891	0.4
194.18968	0.5
201.12384	1.2
205.07117	0.9
216.09880	0.6
247.08154	1.8
318.27875	14.1
319.28241	1.1
330.24423	0.6
334.27634	0.6
336.28946	19.6
337.29422	1.7
348.25476	0.7
360.28922	0.8
360.48007	0.4
363.20346	0.5
378.30139	1.2
450.32248	0.5
480.33124	5.2
498.34161	9.6
499.34396	0.8
516.73975	0.4
612.37329	10.8
612.46802	0.8
613.37897	1.8
630.38477	100.0
631.29626	1.0
631.38867	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
57.07078	33.4
58.07419	0.5
59.04995	0.9
64.63116	0.4
66.05080	0.4
67.05515	0.8
69.07074	2.1
69.21583	1.3
69.22002	1.6
71.08634	24.4
72.08924	0.4
73.02937	0.5
73.06560	9.0
78.26047	0.4
80.15987	0.3
80.34325	0.3
81.07060	0.9
83.08616	2.6
85.10186	19.3
86.10518	0.8
87.04472	8.4
89.06033	100.0
90.06380	1.4
91.07590	1.2
93.07027	0.6
95.08615	0.9
97.10170	3.2
99.11739	4.0
106.85307	0.4
107.07053	3.1
107.08575	0.4
109.10167	0.7
111.11738	0.6
112.64824	0.4
113.13311	1.8
117.09139	6.1
119.08569	0.5
130.08641	1.5
131.07047	2.5
133.08604	49.4
134.08908	0.9
135.10173	0.8
145.10161	0.5
155.17952	4.4
161.11732	1.6
175.09677	1.4
177.11224	18.2
178.11624	0.6
199.20567	3.8
221.13809	3.5
223.15320	0.6
239.14767	1.1
240.23160	0.8
243.23212	7.5
274.18991	0.4
283.17526	1.4
287.25827	4.6
288.26205	0.4
306.73630	0.4
309.18811	0.6
327.20096	0.6
353.21042	0.4
355.69330	0.4
371.22522	0.5
393.43823	0.4
415.25131	0.9
459.27753	1.6
464.71060	0.4
470.76227	0.4
524.71368	0.4
526.24512	0.4
554.22156	0.5
613.44971	3.0
614.44324	0.4
630.48102	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	630.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29842	1.2
53.03949	6.0
53.99022	1.4
55.05515	25.7
57.03443	17.2
57.07076	4.9
62.54369	1.4
65.03936	5.6
67.05508	91.5
67.16224	1.4
69.07067	20.8
69.43338	8.4
71.04983	1.9
77.64515	1.4
79.05496	59.2
81.07061	89.1
83.04984	2.4
83.08633	9.6
85.06538	3.1
91.05489	35.5
93.07049	69.4
94.07352	1.7
95.04965	5.5
95.08606	64.9
97.06505	2.0
97.10189	4.4
99.08068	1.9
105.07027	22.7
107.08595	30.8
109.10158	24.3
109.39011	1.3
113.09637	1.3
117.07019	10.0
119.08571	17.7
121.10147	29.3
123.11717	7.9
125.09612	1.6
129.06993	1.9
131.08557	13.1
133.10150	13.7
135.11714	13.3
137.13280	3.0
145.10138	12.8
147.11763	9.6
149.13315	8.7
159.11699	10.4
161.13303	7.8
163.14828	4.2
165.99834	1.3
171.11681	2.2
173.13284	7.0
175.14880	4.4
177.16231	1.4
185.13322	2.6
187.14836	4.1
199.14894	1.6
241.19586	1.6
243.21095	6.3
259.20599	4.4
261.22153	16.3
263.23718	1.5
333.24234	3.3
335.25824	100.0
336.26199	9.4
337.27283	5.1
595.47021	12.1
613.48340	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	631.276
Annotation	Humilinolide B
Peak:m/z	Relative Intensity
54.33620	0.7
55.01859	0.9
55.05518	1.7
57.07083	1.0
64.23586	0.8
67.05494	2.0
69.03431	1.0
69.07059	0.8
70.87994	0.8
71.30575	0.8
79.05470	1.7
81.07055	1.8
89.06055	0.9
91.05503	1.4
93.07061	3.3
95.04948	1.5
95.08635	2.8
97.06540	2.3
105.07063	2.7
107.08590	1.8
109.10159	4.4
117.07059	1.3
119.08611	2.0
121.10176	2.7
123.08106	1.9
129.06970	0.8
131.08607	1.0
133.10132	1.1
142.57715	0.8
143.08629	1.5
145.10165	1.1
151.07584	1.6
155.10722	1.3
157.10138	1.9
159.08096	1.4
163.11249	1.0
173.07146	1.6
173.13177	0.8
175.11102	1.1
183.11736	0.9
185.13239	0.9
195.11772	1.1
209.13377	1.1
221.15448	2.8
233.09181	1.2
236.13153	2.7
237.13921	3.7
249.14032	1.0
251.15477	2.5
261.13864	7.9
262.14703	1.5
267.14935	1.3
279.14963	3.5
280.15723	1.1
289.16815	1.1
313.27542	1.0
352.17731	0.9
354.18646	1.1
355.19525	1.1
365.17920	1.6
367.19495	1.4
368.19925	1.6
369.20889	1.2
379.19196	2.7
393.20978	1.0
410.17337	1.0
422.18674	1.5
425.19733	5.8
426.20523	1.4
436.16599	0.8
437.19955	1.9
438.20581	1.2
439.21326	2.6
440.21439	1.2
441.19427	1.0
444.25208	1.0
455.21106	1.0
456.21808	1.6
467.20920	2.0
471.23663	1.3
481.22263	2.6
484.21332	2.2
499.23471	14.5
500.24329	2.6
509.19440	0.9
511.23462	9.6
512.23926	2.9
543.26178	1.6
544.26349	1.1
550.20264	1.0
553.24646	1.1
555.24500	0.9
571.25635	7.4
572.26318	4.7
581.24261	1.2
582.22192	1.4
599.25085	5.8
613.26617	7.2
631.27625	100.0
632.28052	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3661
Annotation	CHEBI:69147
Peak:m/z	Relative Intensity
55.05509	2.0
56.05032	0.9
57.05814	0.4
58.06600	0.3
60.04521	0.4
69.03426	0.4
69.07066	1.0
69.51617	1.3
70.02946	0.4
70.06592	5.4
71.04975	0.4
71.06917	0.2
72.08157	17.2
73.08490	0.6
74.06085	0.9
75.92593	0.2
81.10237	0.2
84.04508	1.6
84.08150	2.0
85.02910	1.0
86.09707	100.0
87.05589	0.3
87.10029	1.9
88.04002	0.9
96.04488	0.5
97.02938	0.5
98.09688	0.6
98.48920	0.2
99.04492	0.3
99.05614	0.3
101.07140	0.8
102.05544	1.5
103.03950	1.0
109.02914	0.4
110.07195	0.3
112.08774	0.3
112.11199	0.3
113.07170	0.5
113.10783	0.3
115.08672	1.4
116.03438	0.3
120.06607	0.2
120.08099	0.6
127.03908	1.2
127.05037	0.2
127.11221	1.2
128.10699	0.9
128.11575	0.5
129.06609	0.4
129.10262	1.5
130.05002	0.6
130.06548	1.1
132.08099	1.6
132.10178	0.3
135.04430	0.3
136.43513	0.2
138.09117	0.3
140.14316	0.5
141.05472	0.4
141.06584	7.8
141.10239	1.3
141.52548	0.2
142.06622	0.3
143.11761	0.4
145.02887	0.5
145.04967	0.7
148.06085	0.4
156.10281	0.5
157.13361	0.5
159.07678	4.5
159.09203	5.0
163.03990	0.5
163.06065	0.4
166.64120	0.3
169.13383	0.3
170.06021	1.5
171.11382	0.4
173.12859	3.5
177.03914	0.2
177.05476	0.5
183.11330	0.6
185.12901	1.0
185.16484	4.8
187.07159	7.4
187.08653	0.5
187.10855	0.2
188.07555	0.2
197.12869	0.4
201.12328	4.8
211.10896	0.2
213.12395	0.5
213.15953	4.1
213.17906	0.2
215.13919	2.0
227.13884	0.6
229.11865	1.6
233.15054	1.6
241.11784	0.4
245.18684	0.9
254.15071	0.9
255.13446	0.6
269.18692	0.2
272.15805	2.1
281.22437	0.2
285.08868	0.4
286.14157	0.3
300.15482	24.3
301.15839	1.2
302.11285	1.7
310.17630	0.3
314.20761	2.5
319.13992	2.5
326.24298	0.5
328.18707	1.5
332.21857	0.8
353.21790	1.9
354.20319	0.5
356.18231	0.3
368.21701	0.5
371.22946	5.5
372.23355	0.3
381.21451	0.7
385.24652	1.3
399.22366	14.9
400.22638	1.1
413.23911	2.6
432.22418	0.3
441.27026	1.3
466.30215	0.2
467.28656	0.7
469.14661	0.6
472.28934	0.4
484.31403	2.3
500.28204	0.6
512.30743	3.9
513.31104	0.3
587.33356	0.3
613.35559	1.7
630.81152	0.5
631.29053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3666
Annotation	Adociasulfate 9
Peak:m/z	Relative Intensity
55.05517	1.0
55.75504	0.6
66.07022	0.6
69.86198	1.8
70.06583	1.6
72.08154	0.9
79.05486	1.0
81.07056	1.3
84.08162	0.8
86.09718	0.7
93.07059	1.7
95.04972	1.1
95.08624	1.0
105.52885	0.6
107.08611	0.7
121.10162	0.7
125.58337	0.6
145.10191	0.7
151.52034	0.6
165.36514	0.6
167.10716	0.9
189.55202	0.7
214.95119	0.6
247.84729	0.7
329.08618	0.7
487.32593	2.3
499.18472	1.0
551.35553	1.2
558.19269	1.1
569.36810	7.5
571.34589	2.4
595.36725	0.8
613.35138	3.8
631.36646	100.0
632.27484	0.5
632.36981	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	631.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89049	0.4
55.30014	0.3
56.96572	13.4
61.72267	0.4
69.81645	1.6
71.95274	2.2
72.96066	0.6
74.97607	0.5
84.96044	1.3
89.38789	0.3
90.49199	0.4
97.96855	1.1
98.97604	0.5
107.65156	0.4
110.97575	3.9
115.97840	0.6
116.98605	0.5
123.01195	0.6
123.57013	0.4
128.98613	5.8
137.02814	1.0
143.00119	0.7
146.99663	3.8
161.01273	1.3
165.00792	0.6
171.03317	0.8
183.03223	0.6
189.04361	0.9
197.08632	0.4
203.06006	0.7
205.09068	0.5
209.27989	0.4
225.08257	0.4
263.09576	1.1
277.11142	2.2
278.11597	0.6
291.12671	1.0
295.12213	0.5
315.16599	0.6
317.17868	30.8
318.18155	1.9
333.17474	2.4
335.18958	100.0
336.19275	6.8
353.20020	23.8
354.20291	1.4
358.20541	9.2
359.20853	0.5
363.05133	0.4
376.21851	2.4
595.40369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	5.4
55.05513	10.4
57.03440	2.5
57.07072	2.4
65.03948	2.3
66.65527	0.8
67.05504	34.2
68.05832	2.1
69.07068	10.7
71.04984	1.0
71.08631	1.0
73.62038	0.7
79.05488	15.2
80.73570	0.8
81.07057	51.9
82.07390	2.4
83.04967	2.6
83.08618	6.3
91.05490	10.8
92.05811	1.0
93.07041	14.1
94.07376	1.7
95.04961	1.5
95.08606	24.6
96.08965	1.4
97.06532	2.2
97.07412	0.9
97.10150	2.4
98.22790	5.1
101.09655	1.2
105.04472	1.0
105.07022	8.1
106.07356	0.8
107.08583	10.6
109.06503	11.4
109.10155	10.4
110.10455	1.0
111.04444	16.6
111.08091	3.0
117.07006	2.2
119.08584	7.5
121.10142	7.6
121.24821	0.9
123.08057	2.8
123.11678	4.4
125.05985	4.9
125.09660	0.9
131.08540	4.4
133.10133	7.8
135.08067	3.9
135.11705	7.4
137.05974	100.0
137.13235	3.1
138.06332	3.0
143.08606	1.6
145.10147	2.9
147.08115	1.1
147.11685	7.9
149.09619	4.0
149.13255	2.8
151.07530	2.2
151.11166	2.6
157.10130	2.6
159.11682	2.6
160.12033	0.9
161.09618	7.1
161.13261	3.1
163.11177	3.7
163.14777	1.1
165.09137	2.5
165.12772	1.0
171.11748	1.1
175.11197	4.6
175.14842	1.8
177.12685	1.0
179.10646	2.7
181.12192	1.2
189.12665	1.0
189.25308	0.9
193.12309	1.2
195.27536	0.9
203.17920	6.1
204.18291	1.0
205.19403	1.1
213.16383	3.0
221.19032	1.8
231.17462	9.4
241.15919	1.1
249.18463	13.5
261.22226	2.1
263.23746	0.8
270.42609	1.0
276.50369	0.8
277.17972	73.2
278.18338	4.1
279.23160	1.6
295.19052	14.6
296.19354	1.0
299.20282	0.8
310.52829	0.9
335.25882	8.3
336.26096	6.6
337.27325	21.9
338.27554	2.0
351.21591	11.0
459.59021	1.0
546.81482	1.0
575.10046	0.9
613.44659	18.7
614.44696	2.9
631.27740	2.2
631.45886	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	631.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.07084	2.6
67.05515	4.6
69.07075	2.0
69.09141	2.4
69.09551	6.4
71.08649	2.3
79.05529	1.5
81.07073	5.4
83.08632	1.1
91.05510	1.3
93.07069	3.4
95.08640	4.2
98.22680	2.2
105.07111	1.6
109.10179	2.1
138.00569	1.0
151.11266	1.6
312.73856	1.0
313.27457	1.2
319.22519	3.7
375.25153	3.5
376.41672	1.1
404.41776	1.1
631.49170	100.0
632.49298	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	632.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84597	0.4
53.32692	0.4
55.05506	3.7
56.05031	4.5
57.03443	0.6
57.05812	0.7
57.10508	0.4
58.06601	2.4
58.33044	0.5
60.04506	0.9
61.97901	0.5
69.03424	0.7
69.07063	5.0
70.02959	1.2
70.06593	12.4
71.06926	0.9
71.29776	0.6
72.08154	28.3
73.04015	0.7
73.08490	1.3
74.06074	8.1
74.36931	0.5
77.22377	0.5
83.06104	0.5
84.04499	3.6
84.08144	4.9
85.02889	4.1
86.09705	100.0
87.05595	2.5
87.09528	0.5
87.10034	11.3
87.10574	0.6
88.03992	1.2
91.05468	0.6
93.07039	0.7
95.08627	0.6
96.04508	0.7
96.08114	0.9
97.02888	1.7
98.06112	0.6
99.04451	2.1
101.07137	8.3
101.32110	0.5
102.05540	2.0
103.03933	4.6
103.65215	0.5
105.07060	0.5
109.02897	1.3
110.07167	3.0
110.09666	1.5
112.07664	1.1
112.08654	0.6
112.11258	1.4
113.10763	4.9
114.09151	0.6
115.05415	0.7
115.08678	1.3
116.07073	0.6
117.05770	1.4
120.08078	3.4
127.03925	3.0
127.11249	0.8
128.10724	8.5
129.10236	4.6
129.11098	0.7
130.05043	1.0
130.06512	10.9
132.08092	13.9
133.06110	2.0
133.08492	0.5
137.05968	1.3
138.09010	0.5
141.06581	4.3
141.10228	12.5
142.06511	1.5
143.11823	0.6
144.08099	2.2
145.04932	3.4
153.51163	0.6
155.11790	1.3
157.13387	0.6
158.08498	0.6
159.09167	52.3
160.06367	0.6
160.07503	2.4
160.09552	1.9
163.03952	1.3
163.05972	2.6
169.07663	0.9
169.09824	0.6
170.06010	22.1
171.06381	1.3
171.07785	0.6
173.12857	42.4
174.13246	1.5
185.16515	2.5
186.16830	0.8
187.07153	2.9
187.08714	5.0
188.07304	1.6
201.10452	1.2
201.12331	25.8
202.12721	1.2
213.16048	2.1
214.02708	0.5
214.16269	0.9
215.13966	1.1
227.15506	1.0
233.14871	0.9
243.07634	1.3
245.18712	1.0
246.19130	0.7
253.09665	0.6
254.14922	0.8
269.18756	1.2
271.08252	0.6
272.17737	5.6
284.10324	0.6
285.08701	4.5
289.09140	0.5
300.16943	15.0
301.15753	7.7
302.11346	21.5
303.11588	1.2
307.10141	1.4
314.20740	16.5
314.24219	1.1
315.21060	1.0
319.13959	24.2
320.14313	1.6
328.18817	0.5
329.19089	0.7
342.18277	0.6
369.18704	0.7
371.23212	1.1
372.23303	2.8
387.20383	0.9
399.22440	3.1
400.22665	4.7
410.76013	0.6
414.24414	0.7
415.19937	0.8
429.05109	0.9
432.22379	4.9
441.05008	0.6
455.26746	1.5
470.14938	0.9
472.29300	2.6
482.28003	0.8
485.31488	1.6
500.28540	5.5
501.28986	1.0
502.04333	0.7
512.30280	0.5
513.31238	2.2
614.28149	1.1
614.37103	0.6
632.28693	1.8
632.37640	0.9
633.25732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23589	8.1
53.03939	10.4
55.05507	29.7
57.07077	13.7
59.04993	7.3
65.03945	8.4
67.05502	43.0
69.03436	18.8
69.07076	20.2
70.77490	13.4
70.77837	14.0
73.37454	7.9
79.05499	39.1
79.36996	8.9
81.07076	30.5
83.04993	32.5
83.08625	27.8
85.06529	12.5
86.09708	8.9
91.05473	57.2
93.07047	85.5
95.04964	49.4
95.08608	52.5
97.02887	9.8
97.06538	22.4
105.07030	92.0
107.08601	77.3
109.06537	37.1
109.10172	83.6
111.08081	12.7
117.07022	17.5
119.08563	65.7
121.06524	20.0
121.10130	100.0
123.08087	35.2
125.09643	20.2
128.06221	19.5
129.07008	19.0
130.07770	8.5
131.08559	58.0
133.10133	34.0
135.08076	23.5
135.11670	11.6
137.09618	10.2
139.11205	11.6
141.06996	9.1
142.07805	19.1
143.08585	31.7
145.10162	43.1
147.08069	10.6
147.11707	12.3
149.09648	29.5
151.07536	8.6
154.07779	9.4
155.08589	21.8
155.10635	13.1
156.09398	12.3
157.10107	49.8
159.08102	30.1
159.11754	31.4
161.09602	17.6
161.13287	9.4
163.11232	10.9
165.09238	8.6
167.08566	16.7
167.10690	84.4
168.09361	9.0
169.10182	16.6
171.11696	37.3
173.13268	16.6
175.11159	17.7
179.08623	11.6
180.09335	9.4
181.10098	9.7
182.10831	8.5
183.11668	19.9
185.13319	12.4
191.59007	7.6
193.10091	11.9
195.11687	21.1
197.13277	22.4
199.14870	10.1
205.10008	8.0
207.11775	16.4
209.13315	20.2
211.14830	11.6
221.13362	18.3
221.15440	10.3
223.13106	13.4
223.15016	12.5
233.13300	11.9
233.15430	34.8
247.14842	10.4
264.21490	8.4
328.18900	45.9
615.40344	17.0
633.41150	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15375	1.9
53.03951	3.9
55.05510	14.3
57.07070	9.6
57.54614	2.0
59.04999	5.7
65.03939	2.9
67.05505	22.3
69.03421	11.5
69.07059	12.8
69.70690	5.0
69.71087	3.9
77.03922	2.7
79.05492	23.4
80.05839	1.9
81.03429	2.3
81.07056	31.8
83.04984	10.2
83.08614	5.6
85.02901	9.0
85.06538	5.3
86.44595	2.6
89.66822	1.8
91.05479	37.8
92.06263	3.6
93.07037	44.8
95.04971	23.9
95.08614	30.6
97.06505	9.9
103.05449	3.7
105.07027	72.1
106.07853	3.1
107.04955	4.8
107.08596	38.0
109.06510	22.5
109.10155	18.1
115.05483	4.1
117.07036	13.8
119.04968	2.2
119.08579	59.2
120.04301	2.2
121.06527	10.5
121.10149	33.9
122.07273	4.2
123.08067	32.4
123.11685	14.3
125.05997	6.6
125.09643	6.4
128.06204	9.8
129.06990	14.4
130.07796	8.8
131.08560	29.8
132.09358	3.2
133.06491	9.3
133.10118	26.7
134.10817	1.9
135.08051	22.9
135.11708	6.4
137.09605	13.0
138.33913	2.3
141.06998	5.9
142.07787	15.7
143.08575	30.4
144.09323	6.6
145.06429	4.7
145.10124	43.1
146.07245	2.8
146.10832	2.4
147.08046	30.1
147.11708	11.8
148.08717	2.3
149.09619	19.6
149.13260	2.3
151.07542	39.3
153.06984	3.4
153.09113	3.5
154.07800	3.5
155.08565	11.8
155.10660	3.0
156.09344	11.9
157.10120	34.5
158.10878	3.7
159.08055	14.8
159.11685	24.1
161.09625	17.9
161.13293	4.1
163.07555	3.3
163.11174	14.6
165.07030	4.1
165.09120	44.4
166.07738	2.3
167.08575	6.1
167.10677	16.2
168.09357	6.2
169.10095	20.9
170.10889	4.9
171.08043	3.7
171.11697	25.0
173.09625	11.2
173.13203	11.5
174.10341	2.6
175.11192	13.5
175.14812	3.7
177.09145	4.6
179.08510	4.1
179.14275	2.5
181.10120	9.4
181.12215	7.4
182.10876	5.9
183.11697	23.6
185.09599	8.1
185.13254	11.9
186.10429	5.5
187.11200	14.7
187.14798	5.2
189.12724	13.4
190.13472	5.3
191.14360	3.0
193.10132	7.2
193.12270	6.1
194.10847	4.7
195.11714	14.6
195.13522	3.0
196.12453	5.2
197.09615	7.0
197.13271	12.8
198.13864	2.4
199.11224	9.9
199.14876	3.1
200.11967	4.4
201.12775	11.1
203.08705	2.1
203.10603	2.2
203.14297	22.0
205.12357	3.2
206.10966	3.4
207.11665	8.5
207.13805	19.7
208.12494	3.7
208.14539	5.8
209.13292	9.6
209.15407	7.0
211.11151	8.6
211.14803	7.8
212.11871	2.2
213.12755	8.3
215.14345	5.2
217.10240	2.4
219.13809	3.6
221.13332	5.4
221.15341	100.0
222.15810	4.7
223.11301	3.4
223.14799	6.5
225.12753	9.4
225.16370	9.4
227.14337	5.9
229.12201	5.1
229.15858	3.6
230.12964	4.3
231.13840	3.3
233.13347	4.0
233.15266	10.8
234.16209	6.8
235.14919	3.0
235.16949	4.7
237.12675	3.9
238.99155	2.5
239.14412	2.2
239.18097	2.4
240.14771	3.0
243.13783	7.2
245.13321	3.7
247.14789	3.1
247.17017	5.3
253.15981	10.0
255.17467	4.2
259.17038	3.6
261.14883	5.6
265.15994	2.6
271.16946	15.9
273.18655	4.3
274.19272	2.7
279.17499	2.8
281.18777	2.5
285.18524	3.9
286.19269	66.6
287.19913	11.7
299.20074	9.1
304.27701	2.1
311.20203	2.4
312.20801	8.1
313.21661	3.9
337.21582	2.3
352.23868	4.4
365.24734	3.3
366.25488	3.2
379.26108	2.8
391.26105	3.8
393.24017	2.6
409.27319	2.2
435.28983	8.3
493.33228	4.2
524.98950	2.0
528.48987	2.3
536.34967	3.1
553.34912	4.7
599.40710	4.2
615.39941	6.9
616.40875	5.0
633.41553	50.2
634.41650	8.1
635.27740	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	633.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
55.05509	25.8
57.07079	5.5
59.04993	5.7
60.58316	3.7
67.05519	32.1
69.03427	14.8
69.07063	22.5
77.03961	4.6
79.05497	34.2
81.07053	67.5
83.05004	20.1
83.08617	25.5
84.42434	4.1
85.02902	75.7
91.05479	37.3
93.07045	54.7
95.04970	39.7
95.08607	37.9
97.06495	21.8
105.07032	70.0
107.08591	52.1
109.06517	33.2
109.10140	35.1
111.08121	7.4
113.09621	8.6
115.05451	7.3
117.07021	17.3
119.08584	58.5
121.06512	12.6
121.10139	70.4
123.08077	19.0
123.11704	100.0
124.12039	4.1
125.05988	13.3
125.09657	17.5
128.06241	7.8
129.07068	14.0
131.01265	5.2
131.08583	37.6
133.06487	7.2
133.10141	25.4
135.08047	15.5
135.11716	7.8
137.09602	6.1
139.11160	16.0
141.06979	6.2
142.07790	16.6
143.08557	29.5
144.09303	5.0
145.06485	7.6
145.10126	39.4
147.08041	14.4
147.11668	26.6
149.09598	23.0
151.07520	11.1
153.12794	4.8
155.08574	12.1
155.10681	8.2
156.09344	10.2
157.10152	42.3
158.10881	5.1
159.08051	18.7
159.10519	4.9
159.11668	24.9
161.09604	14.1
163.11121	7.5
165.07014	5.3
167.08566	4.6
167.10680	49.8
169.10112	15.7
171.11688	18.2
173.09637	6.9
173.13304	9.1
175.11243	5.5
177.12605	4.7
180.09354	6.5
181.10106	10.8
181.12241	12.8
183.11687	15.8
185.09660	6.3
185.13197	6.9
187.11215	6.6
189.12787	14.6
189.93381	4.3
191.14342	5.3
193.10172	7.3
195.11708	11.9
197.13252	17.2
199.11032	6.1
199.14771	5.9
206.10716	5.8
207.11887	7.5
207.13802	33.5
208.12434	4.5
209.13297	11.0
215.14330	5.5
221.13408	7.8
221.15323	7.9
223.14885	8.8
227.14395	5.4
233.13371	6.4
233.15398	17.3
235.14832	9.3
247.14796	8.1
249.16464	10.3
251.89372	4.0
261.16281	5.9
269.18958	8.9
281.18979	6.1
285.18585	6.2
287.20166	6.4
299.20068	8.9
446.96906	4.5
597.38751	7.2
615.40338	7.9
633.42181	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.0
53.43116	4.2
55.01852	6.3
55.05504	28.0
57.07066	11.4
59.04993	5.5
60.96014	3.6
65.03929	10.4
67.05503	45.1
69.03423	15.4
69.07075	22.9
70.88386	3.6
71.04984	9.8
74.53798	3.8
79.05489	47.7
81.07054	69.7
83.04991	23.7
83.08168	5.4
83.08602	30.3
85.02900	67.8
85.06525	11.8
91.05479	72.0
93.07040	80.3
93.88910	3.6
95.04970	42.5
95.08607	43.7
97.06549	30.8
97.35958	4.0
105.06376	7.8
105.07034	100.0
106.07334	6.2
107.04946	6.7
107.08595	77.2
108.82602	4.8
109.06525	34.3
109.10151	50.4
111.04453	3.9
111.08114	10.1
113.05966	5.0
113.09606	6.8
115.05457	9.1
116.06258	4.7
117.07009	18.8
119.08568	76.4
121.06502	18.4
121.10150	88.0
122.10465	4.4
123.08094	28.1
123.11702	82.5
125.06013	16.9
125.09612	20.4
126.09957	4.4
128.06236	21.2
129.07021	24.4
131.08560	51.9
133.06488	6.1
133.10132	39.6
135.08063	20.4
135.11696	10.2
137.09613	17.0
139.07541	6.4
139.11137	11.7
141.07018	12.2
142.07806	26.0
143.08549	40.9
143.54704	5.2
144.09337	7.7
145.06505	7.5
145.10121	58.6
147.08076	20.8
147.11705	33.2
149.09641	27.1
151.07512	10.6
154.07750	7.5
155.08530	20.6
155.10678	16.1
156.09311	18.0
157.10135	60.2
158.10849	8.2
159.08020	20.0
159.11710	32.2
160.08846	7.4
161.09634	20.6
161.13280	5.4
163.11200	19.9
167.08502	14.0
167.10675	73.3
168.09332	7.9
169.10133	30.1
170.10907	5.5
171.11705	34.8
172.12080	5.8
173.09654	14.0
173.13254	14.0
175.11197	27.2
175.14784	4.7
177.12762	4.8
179.08521	12.6
180.09322	4.9
181.10118	15.5
181.12254	17.1
182.10883	11.4
183.11668	26.3
185.09595	5.4
185.13297	21.3
187.11214	5.4
187.14879	8.5
189.12744	15.5
193.10161	20.3
193.12233	30.0
194.10864	5.5
195.11740	24.2
196.12453	7.3
197.09483	4.9
197.13240	22.1
198.13878	4.8
199.11183	11.1
199.14867	13.9
201.12793	4.8
203.14293	9.6
205.10126	7.7
206.10779	5.8
207.11745	16.3
207.13809	42.4
208.12457	5.9
208.14267	4.7
209.13293	22.8
211.11113	8.1
211.14871	16.7
212.11913	4.1
213.12758	10.4
213.16339	5.5
215.14233	9.8
219.11746	5.2
220.12422	4.6
221.13271	13.3
221.15364	11.7
223.14783	14.2
225.12628	4.6
225.16376	7.1
227.14273	7.7
229.15868	7.9
233.13269	9.0
233.15363	30.7
234.15965	4.8
235.14754	6.2
239.14261	6.8
241.15785	5.8
247.14914	5.2
249.16487	10.1
251.17865	6.1
255.17542	9.6
257.19043	6.2
259.14758	6.3
261.16415	7.4
267.17419	4.9
269.18948	13.6
279.17328	4.3
281.18942	9.3
285.18558	6.6
297.18530	4.0
299.20023	11.6
308.31201	3.9
311.20377	5.8
379.26337	5.1
387.99463	4.6
409.26797	5.7
600.41339	11.0
633.40723	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05502	1.7
56.05019	1.3
58.99588	1.4
69.03443	3.0
69.07062	3.1
69.26048	4.3
70.02952	2.3
70.06587	10.8
71.04989	0.9
71.06897	1.0
72.08159	5.0
74.00652	1.1
74.06062	0.8
76.02222	2.4
79.05493	1.9
81.03405	2.7
81.07043	2.4
83.04977	1.5
84.04491	1.5
84.08141	3.1
85.01124	1.5
85.02909	6.0
86.06079	0.8
86.09711	8.1
86.79398	0.6
86.99078	1.2
87.02692	1.6
88.02203	5.8
88.03989	40.4
91.05472	6.8
93.07040	3.5
97.01080	1.0
97.02880	3.8
99.04449	4.9
102.03759	1.9
103.03953	3.9
105.00127	0.7
105.07041	7.2
107.04961	0.9
107.08575	3.2
109.02879	2.4
109.06516	1.1
109.10146	2.1
110.07169	0.9
117.06985	1.6
119.04941	27.2
119.08576	17.2
120.05215	0.7
120.08083	2.7
120.08864	0.7
121.06525	0.9
121.10141	2.5
122.02716	3.5
122.06031	0.8
123.08055	0.6
127.03925	6.8
129.06992	1.0
129.10197	2.0
131.01624	0.9
131.08536	0.6
132.01122	1.1
133.06488	2.7
133.10127	15.6
134.02736	0.8
135.08052	1.0
135.11662	0.6
136.07591	1.7
137.09579	2.4
143.08562	2.2
145.04970	2.1
145.10135	6.2
147.04404	1.4
147.08031	5.0
147.11676	12.6
148.04262	3.3
148.08759	0.7
148.12064	0.7
149.04204	4.2
149.09579	0.7
151.02133	2.6
156.09340	1.9
159.11679	1.3
161.13281	1.7
162.09109	0.8
163.03853	0.7
163.05968	1.3
163.11180	29.3
164.11497	1.0
167.05264	16.9
171.11649	5.4
173.13199	0.7
174.10310	1.6
177.12732	10.2
189.12738	49.4
190.13182	3.0
191.14275	4.7
207.13811	0.9
208.09708	0.9
212.03867	0.8
213.12267	1.0
215.13670	0.7
218.08322	0.9
221.09947	4.2
222.11156	1.0
223.11514	26.6
224.11823	1.4
239.11038	3.1
255.09238	1.5
289.09436	0.7
310.14685	100.0
311.14993	5.4
328.15723	13.1
329.16064	1.5
488.20300	1.3
542.51917	0.6
603.46344	0.7
634.24866	7.5
634.34924	1.2
635.25378	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	635.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69732	1.0
53.03937	0.8
55.05509	1.8
56.05038	1.4
58.06596	1.3
68.97190	0.9
69.03416	1.2
69.07064	2.0
70.06587	10.3
71.04986	0.8
71.22229	1.7
72.08160	12.8
72.11228	1.0
79.05492	1.1
81.07052	2.3
84.04481	1.2
84.08147	3.3
85.02893	1.8
86.09705	9.2
91.05501	2.1
93.07066	1.0
95.08610	1.5
97.02922	1.4
99.04443	1.2
107.21661	1.1
110.07157	1.4
113.07173	1.0
117.68400	0.8
120.08099	4.7
127.03941	2.5
128.10716	1.0
129.32414	0.8
136.07596	1.5
137.09673	0.8
145.03110	0.9
147.04346	0.9
149.02380	2.0
163.03931	1.9
165.09151	1.1
203.05299	3.7
262.11630	1.4
293.20789	1.2
294.13962	1.2
312.28778	0.9
353.23148	1.4
473.27243	84.1
474.27481	6.9
635.32526	100.0
636.31250	9.5
636.40765	4.1
661.81848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.6
69.07093	1.7
74.06685	1.3
79.05534	1.7
81.07063	3.2
83.08637	2.0
93.07067	2.1
95.08614	3.1
99.67642	1.6
104.67731	1.6
107.08620	1.9
109.10177	3.1
131.73688	1.5
133.11520	1.3
189.94856	1.4
201.59351	1.5
235.68880	1.8
335.26068	2.0
357.24060	3.5
412.24930	1.5
450.35620	1.6
490.20560	1.9
605.67566	1.7
635.46527	100.0
636.46851	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	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
57.07064	1.4
71.30749	1.1
71.31101	0.9
73.63050	0.7
81.07049	1.1
85.20583	0.7
93.07044	0.7
95.08604	1.2
98.23352	0.8
106.06592	1.1
120.08129	2.6
146.06027	1.4
196.09959	0.8
196.69464	0.8
204.06601	2.2
209.10860	1.4
210.11284	0.8
215.78363	0.8
223.08713	0.8
237.09984	1.7
242.87051	0.7
243.14499	0.8
249.10349	1.5
251.08296	0.9
251.11711	1.1
265.09964	1.0
279.11121	1.3
315.13812	0.7
326.12988	1.2
327.13821	0.9
328.14810	1.3
337.12234	1.0
342.12582	0.8
377.17706	1.4
391.19537	1.0
393.20847	1.5
403.19382	1.3
405.17148	3.2
419.18713	2.8
420.19345	2.0
421.20068	3.1
431.18710	1.5
433.20792	1.6
434.21286	1.0
442.17722	0.8
445.20224	2.7
446.20682	1.5
448.18365	1.1
449.20178	2.0
461.20084	1.3
462.20700	1.7
463.21387	2.7
472.18762	1.2
475.21771	1.1
489.18839	1.4
490.19556	1.7
491.20804	1.4
507.24237	7.8
508.24243	1.1
517.22394	1.4
521.25964	2.0
533.25775	1.4
535.23401	3.9
549.25238	9.7
550.25470	1.9
559.23322	1.6
567.25958	1.9
577.24475	8.3
578.24652	2.4
580.23938	0.9
581.25165	0.9
593.27283	1.5
595.25568	3.7
605.23370	1.6
609.26978	4.2
619.25665	2.3
637.26563	100.0
638.26813	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	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06571	0.6
50.91000	0.7
55.41092	0.8
63.09376	0.8
69.07058	0.8
71.21669	0.9
81.07051	1.0
107.41013	0.9
124.94787	0.8
209.10826	0.7
223.12497	0.9
230.89845	0.8
237.40338	0.8
241.10672	0.7
294.42459	0.9
377.17673	1.4
378.18497	1.4
385.14804	1.3
386.15671	1.1
387.16058	1.4
389.17688	0.8
391.19431	1.9
392.20084	1.0
393.20697	2.8
397.34930	0.8
399.16110	2.9
400.16943	3.8
401.17685	4.6
402.18494	1.9
405.20718	1.1
407.22369	3.2
413.18152	3.9
414.18655	5.3
415.19232	9.4
416.20023	3.6
417.20807	1.4
421.20114	2.7
425.17633	1.2
427.19238	2.5
428.20328	4.9
429.21384	8.0
430.21686	2.3
431.18311	1.1
434.20724	1.0
435.21555	2.0
436.21841	1.1
440.19266	0.9
441.17111	2.4
442.17831	2.3
443.18369	4.8
443.22733	3.7
444.18497	5.4
444.24045	1.7
445.20047	3.3
447.17734	1.1
455.18732	1.2
456.19803	1.1
457.20255	7.3
458.21140	5.2
459.22134	1.6
461.19113	0.9
469.16415	1.2
471.22241	7.6
472.22900	8.1
473.19305	5.4
474.20142	2.7
484.18869	1.3
485.19577	3.8
486.20535	7.4
487.21152	3.7
488.21655	1.3
490.19647	3.7
499.21344	9.9
500.21967	3.6
501.22375	1.1
503.25134	5.7
513.18835	1.3
514.19635	1.3
516.21631	1.6
517.22467	5.9
527.20734	2.7
528.21136	1.0
531.24042	14.0
532.23865	2.1
543.23260	1.2
545.21832	1.5
549.24475	1.5
559.23376	100.0
560.23700	12.7
587.22937	17.0
588.23102	1.8
605.23407	1.3
619.25507	89.0
620.25824	13.0
637.26587	12.2
638.26892	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	638.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03937	0.8
53.21656	0.2
55.01866	0.3
55.34391	0.2
57.07064	0.8
57.07320	0.1
57.33664	0.2
58.06594	0.3
70.06594	1.0
72.12750	0.2
79.05478	0.9
81.03416	0.3
84.08152	0.3
85.02892	0.8
85.06069	0.3
85.06544	3.0
86.09701	0.3
95.04972	1.0
97.02885	0.3
99.40752	0.2
104.05330	0.3
105.04505	0.4
107.04954	100.0
108.05286	2.4
109.02879	0.3
113.81365	0.1
120.08047	0.3
127.03899	0.4
129.27945	0.2
145.04974	0.3
145.08601	3.1
173.09195	0.3
191.09174	1.8
368.97021	0.2
439.93564	0.2
631.97412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.69073	0.3
69.43839	1.6
91.97371	0.3
93.47902	0.3
98.23273	0.3
105.07033	0.4
107.08659	0.3
159.09196	0.3
172.04051	0.3
186.84135	0.3
195.60718	0.2
197.10754	0.3
198.97501	0.5
204.06537	0.5
211.08661	0.3
223.12312	0.3
225.10152	0.6
227.11758	0.5
237.10309	0.3
239.11710	0.6
249.10312	0.7
249.82402	0.2
250.11174	0.2
251.12035	0.4
252.12529	0.3
253.13347	0.3
263.11795	0.5
314.12869	0.5
315.14020	0.3
323.13928	0.3
326.12897	0.5
328.14478	0.6
329.14899	0.3
337.15521	0.3
338.12695	0.3
340.14740	0.3
356.14011	0.4
356.17944	0.4
366.16098	0.3
377.17645	0.4
379.19324	0.4
390.15234	0.3
391.15411	0.8
392.16168	0.6
393.16867	0.7
393.20929	1.1
404.17444	0.3
405.16943	1.4
406.17801	0.9
407.18503	2.4
408.19238	0.6
417.16916	0.8
418.18042	0.9
419.14334	0.6
419.19373	1.2
420.15045	0.5
420.19583	1.1
421.20474	5.8
422.20932	2.2
423.21799	1.1
430.18198	0.6
432.19696	0.8
433.15866	0.8
433.21420	1.3
434.17441	1.2
434.21997	0.4
435.18201	2.5
435.22488	1.3
436.23053	2.2
437.23697	0.4
445.16217	0.4
447.17441	0.9
447.21973	1.5
448.18582	2.3
449.19583	10.6
450.20190	3.9
451.20975	0.6
459.18109	0.8
460.18854	0.9
461.19849	1.5
462.20459	1.0
463.21744	5.7
464.22165	5.0
465.22821	1.6
473.19623	0.8
474.20505	1.1
475.21497	2.1
477.18896	7.0
478.19592	3.0
479.20923	1.2
480.22018	0.4
481.22394	0.5
487.21750	0.4
489.18951	0.4
491.20865	1.2
492.21576	1.0
493.22055	1.1
494.23566	0.4
495.23679	1.0
505.22437	0.6
507.24603	1.3
509.21997	0.4
509.25519	0.4
519.21368	0.3
521.22021	1.0
523.23334	2.5
532.21667	0.3
533.22333	0.9
534.22369	0.4
535.23535	3.8
536.24060	2.3
537.21698	1.0
537.24078	1.0
547.23004	0.5
549.21283	0.9
550.25397	1.1
551.26465	2.9
552.26550	0.4
561.25018	3.2
562.25507	0.7
563.23163	0.6
564.23621	4.9
565.24243	2.7
567.26434	0.5
579.25964	7.7
580.26355	1.3
581.24054	0.7
592.22852	0.8
595.25958	2.1
596.26532	1.5
597.27039	1.0
607.25739	1.3
610.27344	0.9
611.28271	0.6
621.26978	5.8
622.26770	0.5
624.25616	5.2
624.35022	0.4
625.26147	0.8
639.28094	100.0
640.28339	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	639.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13506	0.2
54.06758	0.2
55.05495	0.5
56.05035	2.7
67.05486	0.4
69.16934	0.6
69.17361	1.1
70.02946	0.8
70.06592	3.4
72.08154	1.2
74.06063	0.5
82.06590	0.6
84.04498	0.6
84.08144	83.2
84.45358	0.2
84.58303	0.2
85.04023	3.4
85.06580	0.2
85.08496	1.6
86.09704	6.2
87.10050	0.2
88.03994	1.3
91.05474	2.9
96.08116	0.6
98.02431	0.5
98.22662	0.6
101.10787	2.5
102.05554	0.3
102.09114	0.2
107.04958	1.8
110.07150	0.8
111.09190	1.5
112.07626	0.4
114.10318	0.2
115.08703	0.3
117.03338	0.3
119.04938	2.0
120.06584	0.4
120.08114	0.6
125.02380	0.3
129.10237	100.0
130.10597	1.8
132.10324	0.2
135.06790	2.2
136.07576	17.2
137.07956	0.3
139.08647	0.8
141.10204	0.4
145.02863	0.6
145.06470	0.2
146.06004	5.6
147.04405	0.8
151.08665	0.4
152.14377	0.8
156.07603	0.3
160.07567	1.9
174.05342	0.3
177.05507	0.8
188.07050	2.5
191.08118	1.4
196.10896	0.7
197.16469	2.8
206.08073	2.0
207.14946	0.6
214.19075	0.2
215.14008	0.4
224.17514	1.5
225.16113	0.3
233.09209	1.2
233.14983	0.4
234.07727	0.4
241.15520	0.3
242.18668	1.4
247.14517	0.4
251.10272	8.6
252.10579	0.2
255.85933	0.2
261.08765	0.5
270.18250	0.9
275.13824	0.4
279.09760	1.6
292.16574	2.5
293.16882	0.3
302.15018	0.9
315.23572	0.3
316.24857	0.3
343.23462	0.5
361.24429	5.1
361.28439	0.4
371.17181	0.4
387.23877	0.5
389.18140	2.3
405.24875	1.0
407.19223	6.1
417.88690	0.3
433.24612	0.6
478.30298	0.6
492.27884	1.2
502.26520	6.1
503.26550	0.7
520.27649	19.6
521.27777	2.2
524.30829	2.7
538.28802	0.3
621.32489	1.2
622.31818	0.4
639.33539	12.3
640.34985	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	639.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.5
69.35060	1.8
79.40970	0.3
98.23330	0.5
109.02670	0.6
125.82228	0.3
134.15514	0.3
141.69370	0.3
182.91896	0.3
345.46814	0.3
449.19339	0.4
457.27182	0.7
489.29727	0.9
490.05054	0.4
515.31433	0.6
529.32983	0.9
533.32477	2.3
547.33856	4.4
548.34637	0.4
563.34845	5.6
564.35431	0.6
579.25885	1.6
581.36011	12.1
582.36505	1.9
597.27008	1.4
603.38202	0.9
607.24658	0.7
621.27533	0.9
621.39008	10.2
622.29590	0.5
622.39075	2.0
639.40131	100.0
640.29376	1.6
640.40393	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.05508	3.1
57.03431	2.3
58.01747	1.3
58.03447	1.5
61.02911	1.8
69.03431	13.1
69.07066	3.2
70.06596	2.6
71.04994	5.1
71.08633	16.5
71.24938	1.4
71.30276	1.7
72.08143	2.4
73.02923	7.1
74.69471	1.4
81.03424	21.9
83.04996	2.5
84.08136	2.0
85.02905	36.2
86.09715	4.5
87.58687	1.3
88.63908	1.7
95.08625	1.4
95.29978	1.5
97.02897	20.8
99.04458	32.9
99.05102	2.0
99.08092	23.5
103.03944	23.7
109.02885	42.2
111.04470	1.5
127.03921	100.0
128.04276	2.5
129.12746	1.6
145.04965	34.3
157.04993	2.1
163.06105	6.2
169.04968	2.9
173.15372	11.6
184.07423	2.7
187.06035	15.2
199.06075	1.7
205.07088	3.1
209.08163	1.4
229.07181	2.4
235.05960	2.2
253.07120	6.5
253.09483	1.9
271.08130	17.8
271.10757	1.8
289.09137	9.6
307.10211	1.8
317.52966	1.3
349.11282	1.7
379.10574	1.6
397.11444	3.2
415.12491	10.9
433.13593	6.9
451.14737	1.8
471.16980	1.4
496.01208	1.4
556.20935	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	640.9968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.2
70.06582	0.9
71.28730	0.7
72.08160	0.5
98.97565	1.0
110.07160	1.0
112.92339	1.1
128.91730	16.4
129.10237	0.4
130.93286	18.2
130.94276	0.9
136.06207	0.7
146.92763	2.9
148.94374	4.2
158.92833	0.6
176.93840	0.6
190.95532	0.5
208.94388	1.1
210.95921	4.4
212.97462	16.4
213.97878	0.5
219.01788	1.4
226.95369	2.7
228.96950	9.2
230.98535	10.3
237.02802	1.0
238.95337	5.3
244.96429	4.9
246.97913	7.7
248.99329	1.9
250.99008	1.1
256.96408	16.8
262.97195	2.3
265.00919	3.0
266.98495	0.5
267.02075	2.3
269.00046	0.6
274.97379	32.6
275.97818	0.5
277.00656	2.0
278.98544	0.8
281.00555	0.5
282.94586	0.8
283.01627	1.6
285.03101	0.6
290.98441	1.7
293.00391	8.5
294.98410	0.6
295.01639	7.0
296.99463	0.4
300.95346	6.6
302.98495	1.8
308.99631	2.3
311.01166	6.1
313.02686	2.0
316.11795	0.4
316.96591	0.5
318.96860	4.3
320.99603	7.7
327.00690	2.3
329.02316	1.0
334.97375	0.5
336.99036	11.4
337.99445	1.0
339.00632	10.7
339.04736	0.6
346.97452	11.1
347.98007	0.5
352.98459	1.1
355.00119	20.4
356.00488	1.1
357.01642	3.9
360.52737	0.4
362.96985	0.7
364.98544	21.4
365.98895	1.1
372.95486	0.5
373.01205	1.7
380.97919	1.5
382.99591	12.2
390.96442	10.2
391.96902	0.5
401.00613	1.7
408.97495	15.3
409.05704	0.7
409.97873	0.6
426.98553	5.2
431.98914	0.5
434.95554	2.4
452.96515	100.0
453.12781	3.0
453.96799	6.2
470.97586	32.8
471.97696	1.9
493.99146	1.7
540.44910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2606
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
52.13454	4.1
55.05507	9.4
56.29093	4.7
57.03430	5.2
63.01915	4.4
67.05497	16.9
69.07061	9.0
69.46286	21.6
79.05482	5.7
81.07042	16.6
95.08599	14.4
96.01949	5.5
105.07051	5.9
106.26103	4.9
109.10176	8.4
112.33619	4.7
119.08601	4.8
145.13071	5.0
151.01727	4.5
179.91440	5.4
223.12384	11.4
237.13702	9.5
238.14761	10.7
239.15454	5.4
249.13799	5.7
251.15533	8.6
261.14188	6.8
337.27322	37.6
338.27707	45.0
339.09570	8.2
349.29318	4.8
412.20297	10.3
414.17700	8.8
430.21323	35.5
491.20773	5.8
500.32950	6.4
503.19785	6.0
521.22699	5.5
531.20612	5.8
537.25043	10.5
550.21246	7.7
565.24329	44.9
566.24725	6.2
579.25946	8.0
580.23810	12.1
590.60553	5.7
591.22711	6.4
595.25024	8.4
597.27252	49.3
598.26624	5.6
609.23633	10.1
623.24988	61.8
624.25116	10.3
641.25781	100.0
641.38971	8.7
642.26514	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	641.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.6
57.24820	0.5
59.56952	0.6
67.05489	0.6
71.30758	0.8
79.05494	0.6
81.07079	0.8
93.07022	0.7
105.07085	0.7
112.49015	0.5
136.04021	0.6
172.03905	0.6
209.10776	1.0
221.10898	1.1
223.12480	2.0
224.13145	0.8
225.13870	1.0
235.12500	1.9
236.13239	1.5
237.14001	2.2
238.14766	2.3
239.15445	0.8
241.13190	0.6
247.12457	1.2
249.10341	1.3
249.13954	0.9
250.14938	0.7
251.11919	0.7
251.15594	2.3
252.16437	0.8
261.13986	1.2
264.12534	0.9
265.13580	0.9
299.14371	1.2
300.15076	0.7
301.15677	0.7
313.15842	1.1
314.16644	1.3
316.18097	1.3
326.16583	1.1
327.17679	1.1
328.14484	1.1
328.18350	1.4
338.16507	1.3
340.18228	0.6
342.16061	1.2
342.19852	0.8
352.18253	1.5
353.19144	1.5
354.15829	0.6
356.17746	1.6
358.15396	0.6
358.19348	0.8
368.17938	0.7
370.15182	0.7
370.19574	1.0
371.20193	1.3
372.17117	1.1
381.20627	0.6
386.18423	1.2
386.22598	2.2
387.19501	0.9
388.20456	0.9
390.18774	0.9
391.19504	1.6
396.17050	3.4
397.17905	1.6
400.20609	0.8
403.15222	1.0
404.16669	0.9
404.23611	1.5
405.16724	1.1
405.21271	0.9
406.21848	1.8
412.20361	5.0
414.18317	2.5
415.19299	0.8
418.17844	1.7
419.18863	2.2
420.23871	0.8
428.19846	0.7
430.21298	18.8
431.21835	2.0
433.20847	3.8
434.21274	2.5
435.22467	1.4
437.19592	0.6
443.18747	0.8
445.20535	1.2
447.18124	2.6
447.22949	1.5
448.22736	0.9
449.23419	2.0
450.20319	0.7
451.21658	1.5
461.19556	10.6
462.20248	6.3
463.21417	2.1
465.19543	1.9
467.24823	2.2
468.24921	0.7
471.18509	0.8
475.21344	1.7
476.22415	3.2
477.23227	4.6
478.23776	1.4
479.21063	1.4
489.19305	0.8
491.21057	1.1
493.22305	1.7
494.23291	2.4
495.24210	2.0
503.20984	1.1
504.22299	1.4
505.22305	1.1
506.22925	0.8
519.24829	0.9
520.25269	0.8
521.21545	3.1
522.21960	0.8
533.21893	1.0
536.24036	0.7
537.25055	2.2
538.26526	1.6
547.22986	1.1
548.24261	4.1
549.24597	1.2
550.22278	1.1
551.26996	0.8
553.28308	1.3
563.26733	6.6
564.26294	1.0
565.24365	8.2
566.25122	1.5
577.24634	0.7
579.26416	2.1
580.23804	2.6
581.27948	10.6
582.27966	1.9
591.21936	4.9
593.23651	0.9
595.25775	1.7
597.27295	3.7
608.26178	1.2
609.23462	12.0
610.23779	1.3
623.24866	16.4
624.25366	2.9
641.29724	100.0
642.30188	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72941	0.9
67.05525	1.0
69.36690	0.8
71.29820	1.2
104.10767	1.1
139.61932	0.9
143.55255	0.9
143.78421	0.8
221.10823	1.1
237.13852	1.6
238.14682	1.6
251.15385	1.0
280.00232	0.9
312.14880	0.9
349.99973	0.9
356.17667	0.9
363.06839	6.9
386.22543	1.6
396.17090	1.8
412.20197	3.0
414.18301	1.4
430.21252	14.9
431.21793	1.8
478.71863	1.0
519.24310	2.1
521.21558	1.0
536.24396	0.9
537.25140	1.5
548.21576	1.8
549.21649	1.6
563.21539	1.1
565.24365	6.3
579.26550	1.2
580.24036	1.1
581.23828	1.3
591.22296	7.1
592.22583	1.8
595.25635	1.4
597.27307	2.9
609.23590	3.2
623.24908	19.5
624.25378	2.3
640.15277	1.0
641.29309	100.0
642.29755	13.8
656.45691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05516	0.9
67.05509	1.3
73.62402	0.6
79.05473	0.7
81.07069	1.0
86.09715	0.7
92.92755	0.6
97.15453	0.7
104.10812	0.8
130.94962	0.7
139.94888	0.6
169.12122	0.7
209.10886	0.8
221.10802	1.1
222.11430	0.7
223.12314	1.7
225.14046	0.9
235.12434	1.3
236.13164	0.8
237.13979	1.8
238.14731	1.5
249.10458	0.9
249.13806	0.9
251.11948	0.9
251.15433	1.2
252.16359	0.8
261.14108	0.9
263.11847	0.8
265.13522	1.0
281.12738	0.9
285.54950	0.7
299.25909	0.9
313.15762	0.6
316.18005	1.1
327.17664	1.0
338.16968	1.1
342.16116	0.8
352.18469	0.8
353.19003	1.0
356.17853	0.8
358.19205	0.9
367.01224	0.7
386.18713	1.4
386.23001	1.0
387.19260	1.2
391.19138	1.0
396.17218	2.9
405.16617	0.8
405.21417	1.3
406.22040	1.5
412.20319	3.2
414.17929	1.4
415.19006	1.2
418.18396	2.0
419.18814	2.5
420.23911	0.9
430.21307	14.1
432.19949	1.1
433.20471	4.1
434.20972	2.3
435.22052	2.1
436.18469	0.7
445.20618	0.9
446.17612	1.3
447.17621	1.7
447.22824	1.3
448.22937	1.2
449.24088	1.4
461.19382	10.4
462.20273	5.4
463.21844	1.1
465.19336	1.4
467.24490	1.2
475.21606	2.1
476.22424	2.9
477.22955	3.5
479.20807	1.5
480.21463	1.0
493.22147	1.5
494.22937	3.3
495.24127	2.2
505.22342	1.2
507.24014	1.5
519.24304	0.8
520.25195	0.9
521.22131	1.9
523.22986	0.8
535.27289	2.0
537.25427	3.2
548.24042	2.5
549.24915	2.6
553.28424	1.5
563.26813	4.9
565.24445	5.1
566.23938	1.0
579.26038	1.0
580.23901	1.4
581.27759	12.3
582.28522	1.7
591.22369	3.2
593.23120	0.8
595.25183	1.0
597.27161	2.7
608.26550	1.8
609.23193	6.8
610.24243	1.0
623.25037	9.8
624.26154	1.9
641.29749	100.0
642.30151	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05559	0.5
69.80494	1.5
74.15923	0.5
76.27778	0.4
79.47018	0.5
95.24298	0.5
105.06992	0.6
109.11387	0.4
120.08081	0.5
126.64171	0.5
128.18033	0.6
130.67926	0.4
134.63904	0.5
145.58881	0.5
220.10017	0.5
222.11578	0.8
223.12262	0.7
225.13815	0.5
235.12511	0.8
236.13120	0.6
237.10416	0.8
237.13966	1.5
238.14751	1.2
239.15723	0.6
241.13435	0.7
251.11996	0.6
251.15567	0.8
275.12155	0.5
277.13400	0.6
280.33270	0.5
300.14999	0.6
305.97894	0.5
325.15515	0.6
330.19757	0.6
338.13034	0.6
342.16214	0.9
343.70804	0.5
343.89627	0.6
368.17874	0.8
377.18106	0.5
385.10532	0.6
386.22580	1.3
390.18903	0.6
391.19431	1.2
396.17108	2.1
401.17358	0.6
402.18008	0.6
404.16299	1.2
404.23877	0.7
405.16736	0.7
405.21481	1.1
406.21616	1.2
412.20422	1.4
414.18188	1.4
415.18988	1.0
418.18057	1.6
419.18576	3.0
420.18826	0.6
420.23691	0.7
430.21359	8.0
431.21826	0.6
432.19827	1.6
433.20483	2.9
434.20795	2.4
435.21899	1.6
437.19983	0.8
439.18100	0.7
446.17285	0.9
447.18079	1.8
447.22845	1.0
449.23782	1.3
461.19470	10.9
462.20279	5.5
463.21487	1.5
465.19553	1.8
467.24371	2.3
475.21765	0.9
476.22009	3.0
477.23123	4.3
479.20633	1.3
480.21335	0.8
481.23065	0.8
489.23074	0.9
491.20572	1.1
492.25455	0.7
493.22305	1.1
494.23059	2.6
495.23618	2.5
505.22940	0.7
507.23969	1.0
510.00125	0.5
521.22571	1.8
522.26196	0.6
533.21771	0.6
535.26746	1.5
537.25348	1.0
539.22827	0.7
548.24426	2.7
549.24725	1.5
553.20685	0.7
553.28198	1.4
563.26678	6.0
564.26636	1.5
565.24292	4.2
566.25305	0.7
576.24298	0.6
579.25732	0.6
580.23285	1.1
581.27753	11.3
582.27905	1.7
591.22791	2.1
593.24408	0.6
595.26483	0.5
597.27332	1.7
608.26239	1.4
609.23584	5.0
610.24146	0.7
623.25024	6.0
624.26160	0.9
641.29749	100.0
642.30017	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42582	0.5
67.05501	0.5
67.65515	0.4
71.29800	0.5
71.30161	0.4
87.43163	0.4
135.22423	0.4
136.61026	0.4
172.11345	0.5
176.04138	0.4
184.09930	0.5
209.10791	0.9
210.11661	0.5
221.10828	1.1
223.08557	0.5
223.12450	1.5
224.13188	0.6
225.13922	0.5
233.11050	0.4
234.11490	0.4
235.12331	1.1
237.10196	0.9
237.14061	1.7
238.14648	1.4
239.11798	0.7
241.13420	0.7
249.10242	0.6
251.15509	1.5
261.13895	0.8
263.11938	0.6
265.13345	0.6
299.14218	1.1
300.11603	0.5
300.15198	0.7
302.12979	0.5
313.15555	0.6
314.16553	0.5
315.14078	0.5
316.18283	0.6
325.15720	0.8
326.16861	0.8
328.14615	0.9
328.18347	0.8
338.16714	0.6
340.14514	0.6
342.16171	1.0
342.19910	0.5
352.18048	1.0
353.18878	0.7
354.16037	0.6
358.19431	0.7
368.17697	0.6
370.19550	0.7
376.17206	0.6
377.17685	0.5
385.17307	0.4
386.18491	1.0
386.22791	0.8
390.18567	0.5
391.19437	1.4
394.18765	0.5
396.17310	1.7
397.17871	0.7
398.18936	0.6
400.16434	0.5
401.17725	0.6
403.15057	0.6
403.19797	0.6
404.16443	1.4
404.23712	1.0
405.16769	1.0
405.21323	0.9
406.21637	1.1
412.20258	2.3
414.18420	0.9
415.19022	1.1
416.19888	0.5
417.17142	0.8
418.17682	2.1
419.18332	3.0
420.23636	0.8
421.24265	0.8
423.22302	0.7
430.21368	9.6
430.27173	0.6
431.22327	0.6
432.15350	0.7
433.20361	5.2
434.21222	3.1
435.21976	1.6
436.19504	0.9
437.19714	0.6
439.17267	0.6
445.20511	1.1
446.17191	0.9
447.17902	1.9
447.22397	1.8
448.23193	2.0
449.23407	1.5
461.19550	12.6
462.20316	5.4
463.21219	1.6
465.18896	2.3
467.24649	2.5
474.21457	0.5
475.21677	1.8
476.22220	3.2
477.23309	3.4
478.23373	0.7
479.20972	1.3
480.21735	2.0
481.22495	0.7
489.19409	0.7
489.22482	0.6
491.20963	0.9
493.22348	1.2
494.22836	3.0
495.23840	2.5
503.21106	0.5
504.21362	0.5
505.22629	1.3
506.22739	0.8
507.24402	1.9
509.22598	0.5
520.24994	1.2
521.22516	2.6
522.26373	0.6
533.21826	0.5
535.27142	1.3
537.24768	1.5
548.24396	2.6
549.25281	2.0
551.26740	0.6
553.28278	1.7
563.26715	5.8
564.26678	1.2
565.24457	3.8
566.25085	1.1
577.24078	0.6
579.25745	0.8
580.23798	1.6
581.27740	11.2
581.36554	0.8
582.27850	1.4
591.22174	2.5
593.23883	0.7
595.26215	1.3
597.27075	1.6
608.26526	1.5
609.23303	5.2
610.23950	0.5
623.24786	8.3
624.26782	1.2
641.29749	100.0
642.30072	14.9
664.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43768	0.7
66.38111	0.9
67.05479	1.2
74.53685	0.7
81.07062	1.6
92.71809	0.7
93.07097	1.1
94.06560	1.1
95.08611	1.1
98.23470	1.7
107.26661	0.7
114.33578	0.8
118.86157	0.8
120.08145	1.0
121.10035	0.7
184.11322	0.8
185.10684	1.7
187.96828	0.8
188.03381	1.0
195.09164	1.0
196.09972	1.1
197.10783	2.1
209.10796	1.5
210.11517	2.9
211.12248	3.5
212.13113	0.9
223.12340	3.8
224.13017	3.9
225.13858	6.6
226.14604	0.9
227.11819	2.7
233.10844	1.0
235.12325	1.5
237.10194	1.8
237.14008	1.9
238.14636	1.5
239.11864	1.0
239.15459	3.9
240.16364	0.9
249.13846	1.3
251.15297	0.9
264.15021	0.8
267.14911	9.5
269.13019	1.1
270.13571	1.5
274.13589	1.2
275.15475	1.4
276.14874	1.3
277.06021	0.9
277.15793	1.4
285.15939	1.0
286.13385	1.1
289.16870	1.1
290.16553	2.2
292.17957	2.1
299.14420	1.2
304.14551	1.4
304.17969	2.0
305.15533	1.2
305.18903	1.8
307.10693	1.8
313.15622	1.5
314.16617	1.0
318.16025	1.9
319.16769	1.7
330.16141	1.2
331.17105	1.0
332.17554	2.0
334.19150	1.8
344.17596	1.1
345.18668	1.2
346.19104	1.6
348.20593	1.0
354.12354	1.3
375.19693	1.8
382.11588	1.0
384.17044	3.6
390.22110	1.3
391.19153	1.7
392.20123	4.9
393.20459	2.9
393.29999	0.9
403.19257	2.0
404.19876	1.6
405.20999	3.0
406.21384	5.6
407.22324	8.4
408.22717	2.7
412.16437	4.1
415.18970	1.1
415.59470	0.9
416.19882	1.7
417.21060	1.4
418.21750	1.3
419.22092	3.2
420.22791	3.3
421.23923	9.7
422.24332	12.5
426.18094	1.6
429.20618	2.6
430.21716	1.7
431.18076	1.2
432.22882	1.1
433.23843	2.5
434.19208	1.2
434.24609	7.8
435.21991	1.4
444.18658	5.6
445.24536	1.0
447.17252	1.7
448.19553	2.6
459.21619	3.0
460.23090	1.6
461.23541	1.4
462.19858	4.1
463.21240	12.2
464.21722	1.7
474.24210	1.3
475.21448	5.2
476.20547	3.2
477.23160	6.8
478.23218	1.1
487.25156	1.8
489.23151	2.4
491.24408	3.4
494.26474	3.5
495.27032	3.0
505.25900	1.1
507.24570	1.2
508.22464	1.9
515.23737	1.5
517.22229	1.8
518.23431	1.3
519.27411	1.2
520.20691	1.1
522.24847	1.0
523.26831	1.6
531.24121	1.3
532.24237	1.4
534.22406	2.6
535.22949	1.8
545.25409	9.1
546.25739	2.2
547.27155	9.7
548.27368	1.6
549.24915	18.6
550.25708	8.2
561.20874	3.3
563.26477	6.9
564.26672	1.9
565.27716	2.0
576.23297	1.1
579.29254	2.6
581.26953	3.4
591.25983	51.0
592.26666	6.6
595.29150	1.2
598.24524	1.3
599.25159	1.0
605.27631	8.3
606.27362	1.9
609.27130	19.1
610.26886	2.7
623.28687	100.0
623.38666	3.2
624.28973	14.0
640.40088	3.7
641.28003	15.5
641.40674	14.3
642.30579	1.9
642.40808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76094	0.5
55.05495	0.7
55.27345	0.5
67.05501	1.1
69.16116	2.3
69.16546	2.3
69.56940	0.5
79.05471	0.6
81.07069	1.0
89.06010	0.7
91.05441	0.5
93.07046	0.7
105.07012	0.7
112.64836	0.5
122.35194	0.5
135.33572	0.5
177.32408	0.5
182.85046	0.5
223.12317	0.6
226.10913	0.5
237.13945	1.0
239.15474	0.5
249.13953	0.6
251.15346	0.6
312.14859	0.7
388.17545	0.6
389.17880	2.3
391.19290	1.4
392.19870	1.1
393.21204	0.5
394.69543	0.5
401.17844	1.7
402.18640	1.8
403.19244	3.7
404.20099	2.4
405.21188	1.2
406.21472	1.9
407.22290	1.5
414.18622	0.9
415.19235	4.0
416.19891	3.6
417.16803	0.6
417.20901	5.1
418.21637	3.2
419.22754	1.1
421.24173	2.6
429.20920	3.9
430.22159	3.5
431.22961	4.3
432.23114	1.9
433.24054	7.5
434.17178	0.8
434.24405	2.0
435.21469	2.5
443.22342	2.3
444.18341	1.0
444.23184	2.2
445.24918	5.6
446.24710	1.7
447.18512	1.6
447.26218	2.9
448.19928	1.2
448.26257	1.2
449.23572	1.4
458.25018	0.9
459.21136	4.3
460.22568	3.1
461.20074	1.9
462.20441	5.3
463.21146	5.7
464.22073	0.8
472.22525	2.3
473.23450	6.1
474.24347	4.8
475.20963	6.8
476.21991	3.3
477.22849	19.3
478.23260	3.1
485.23456	1.8
486.23956	0.7
487.24945	7.9
488.25546	0.9
489.22842	2.1
490.23126	1.3
491.24432	5.0
492.25272	1.4
494.27118	0.7
495.16931	0.8
495.27274	0.9
503.24573	1.6
504.24786	0.9
505.26181	3.4
506.26666	3.4
507.27341	0.9
515.24359	2.5
517.22424	1.1
518.23285	0.8
519.27466	2.3
523.27057	1.0
531.23993	1.1
532.24615	1.3
534.22681	0.6
535.23016	4.7
545.25494	10.6
546.26007	3.1
547.27032	20.0
548.26886	2.3
549.25018	14.9
549.33441	0.7
550.25671	21.9
551.26294	3.1
561.20685	0.8
563.26459	4.4
564.27313	2.7
577.28467	2.5
578.28461	0.6
579.29736	11.2
580.29651	1.6
583.36499	1.2
591.25983	16.8
592.26404	2.2
605.27570	23.2
606.27869	3.4
609.26819	1.0
623.28613	100.0
624.28906	15.2
640.40576	2.1
641.30048	0.8
641.40729	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05484	0.5
67.05508	1.1
67.06382	0.6
69.07067	0.5
72.08128	0.5
79.05496	0.9
81.07061	1.3
93.07037	0.6
95.08607	0.6
97.06519	0.4
101.39059	0.5
105.07045	0.6
109.10181	0.7
110.25786	0.5
118.06553	0.7
119.08595	0.7
120.08087	0.5
121.10170	0.6
134.57626	0.4
146.25858	0.5
183.09264	0.7
185.10747	0.7
188.03487	0.8
190.10397	0.5
196.09943	0.6
199.08859	0.5
205.29002	0.5
207.09155	0.6
209.10838	1.4
210.11554	0.9
211.12349	1.5
223.12318	1.4
224.13107	1.6
225.13814	2.7
227.11818	0.9
235.12251	0.8
237.13927	1.6
238.14705	1.4
239.11784	0.9
239.15472	1.4
240.16121	0.5
249.13828	0.7
251.15431	0.6
267.14941	1.6
278.16510	0.6
281.13144	0.7
289.16769	0.6
290.13153	0.8
290.16501	0.5
300.15305	0.7
304.14545	0.9
307.11053	0.6
313.15564	0.8
314.16418	0.7
317.15775	0.9
318.16132	0.8
319.16760	1.1
328.14777	0.5
331.17624	1.1
332.17557	1.1
333.18530	0.7
334.19226	1.1
344.17688	1.0
345.18613	0.6
346.18884	0.9
348.20807	0.7
360.20895	0.6
374.19061	0.6
375.19592	0.8
378.18652	0.8
379.19199	0.6
384.17093	1.8
387.19781	0.8
389.17081	1.0
391.19159	1.1
392.19791	1.3
393.20593	1.4
401.17383	0.7
402.18445	1.5
403.19168	2.6
404.19852	2.2
405.21216	2.4
406.21497	3.4
407.22165	4.8
412.16519	2.1
415.19266	2.6
416.19977	2.5
417.20895	3.8
418.21548	2.5
419.22391	3.5
420.22873	1.9
421.23779	4.7
422.24463	7.2
428.19812	1.4
429.21475	2.4
430.21527	1.9
431.22910	3.8
432.23526	1.2
433.24103	5.8
434.24454	6.5
435.21735	1.2
443.22440	1.5
444.18506	3.7
445.19821	2.2
445.24225	2.1
446.24771	1.6
447.25751	1.5
448.26624	0.8
449.23602	1.2
458.20322	1.1
459.20798	3.4
460.22284	3.5
461.19687	1.5
462.20352	4.0
463.21109	4.2
471.21646	0.8
472.22443	1.2
473.23352	3.7
474.23981	3.1
475.21124	4.6
476.21921	1.8
477.22910	14.0
478.23059	2.3
485.23468	1.1
487.24860	5.1
488.25351	0.8
489.22998	1.2
490.23532	1.0
491.24533	4.8
492.25055	1.1
494.27133	0.6
499.21228	0.7
503.24750	0.8
504.25424	0.9
505.25983	2.6
506.27036	2.9
515.24377	1.6
517.23151	0.6
519.27618	2.7
520.27588	0.8
523.27344	1.1
531.24377	0.9
532.24786	1.4
534.22314	0.8
535.22754	2.7
545.25519	9.1
546.26074	1.7
547.27063	15.5
548.27557	2.5
549.24921	11.0
550.25653	16.3
551.25964	2.4
563.26538	3.7
564.27051	2.8
565.27753	1.9
577.27710	1.7
579.29755	9.6
580.29828	1.4
581.26355	0.8
591.25958	13.8
592.26117	1.8
605.27533	20.2
606.27637	3.2
609.27069	10.6
610.27081	1.3
623.28583	100.0
624.28918	16.5
641.29572	6.7
641.40369	0.8
642.30566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
58.06597	1.1
60.04517	2.5
62.98568	0.5
67.05510	0.6
69.07054	0.8
70.06595	100.0
71.06919	1.3
72.07752	1.0
72.08157	21.0
73.08477	0.6
81.03403	1.1
81.07056	1.5
84.04453	0.5
84.08130	2.5
85.02912	1.1
86.09706	46.9
87.10069	0.8
88.03979	0.6
91.05505	1.0
93.07043	0.5
95.04984	0.9
95.08607	1.0
97.02907	0.7
97.06549	0.7
98.06074	0.9
99.04462	0.7
105.07077	0.7
107.08574	0.7
110.07191	0.9
110.09681	0.8
115.33500	0.5
116.07093	1.3
117.24911	0.5
120.08099	2.0
125.09623	0.6
127.03912	0.9
128.10741	0.9
129.10245	0.8
132.10214	3.6
136.07552	0.6
143.11754	0.6
147.04442	0.7
157.09740	9.7
159.09358	0.6
163.03929	0.9
167.08179	2.0
173.12845	2.8
183.11414	0.8
183.14940	2.2
185.09215	13.4
185.16510	15.9
185.18137	1.0
186.09346	0.5
197.12860	0.5
201.12376	1.5
203.10347	1.3
211.14497	2.1
213.15981	14.5
214.16281	0.7
219.13394	7.5
229.11842	0.6
229.42418	0.7
239.11823	0.7
250.13429	0.7
280.16714	0.9
281.22293	0.9
298.17596	3.3
299.13962	0.7
300.15005	0.5
308.23373	0.6
316.18680	61.6
317.19000	4.8
326.24384	3.9
338.20667	0.8
411.25787	0.6
429.27103	11.2
430.27661	0.8
471.17612	0.7
476.58777	0.7
639.87915	0.7
641.31744	2.3
642.38080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88493	1.6
54.97225	1.5
57.03430	3.0
59.31047	1.7
63.34027	1.5
65.09387	1.6
67.05479	1.5
69.03436	12.2
70.06584	9.3
71.28563	2.1
72.08155	2.3
84.08144	2.3
85.02489	1.7
85.02901	9.6
86.09741	1.7
87.04465	5.0
88.07687	1.8
94.86469	1.6
95.08593	1.6
96.08178	1.9
97.02896	9.4
98.09698	4.1
107.04959	9.5
110.09705	8.1
111.10500	2.0
112.11238	4.5
115.03955	4.1
119.56557	1.8
121.00196	1.6
222.22156	2.8
302.24930	2.6
322.90738	1.7
330.24048	3.8
330.27890	48.1
330.31662	2.9
331.28513	3.5
348.25183	1.9
348.29044	22.7
402.19257	1.8
492.33191	8.3
510.34439	7.8
511.34387	2.2
590.08325	2.1
624.37140	11.3
642.38464	100.0
643.38464	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	642.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59774	2.1
55.01873	4.6
55.05506	4.8
57.07074	10.8
67.05499	8.3
67.90997	2.1
69.07075	3.9
70.40594	2.0
71.08640	9.4
78.87218	1.9
79.05496	5.8
81.07055	25.3
83.04995	2.6
83.08604	3.3
85.10169	5.8
91.05491	2.9
93.07058	2.8
95.08616	7.4
97.10157	2.3
107.08596	3.8
109.06503	10.6
109.10161	5.6
111.04447	11.2
121.10165	2.5
123.11739	2.9
131.08514	2.0
133.10146	4.2
135.08086	2.1
135.11734	2.7
137.05986	100.0
137.07050	4.9
138.06320	3.0
147.11668	6.3
149.09633	4.1
157.10127	2.4
161.09604	6.7
165.09122	2.6
175.11232	2.8
199.30675	1.9
203.18005	6.8
213.16386	3.3
231.17480	5.6
241.15862	2.2
249.18587	5.1
277.17978	44.9
295.19037	8.1
313.27386	28.5
317.50134	2.2
351.21591	19.9
379.39072	1.9
409.30957	2.3
527.90454	2.2
541.94086	2.2
553.25116	2.1
589.44690	53.6
590.45074	9.9
607.45923	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	642.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
57.06794	1.5
57.07079	29.7
61.62670	0.7
67.05521	1.4
69.03518	7.3
69.07076	4.4
71.08634	27.9
73.06560	7.9
81.07063	2.9
83.08616	5.6
85.10191	16.8
87.04478	5.5
89.06034	100.0
90.06365	0.9
91.07619	0.8
93.07044	1.2
95.08624	1.3
97.10170	5.1
99.11752	3.3
102.28399	0.8
107.07064	3.9
107.08559	0.9
109.03439	0.8
109.10212	1.3
111.11726	3.4
113.13287	2.2
117.09139	5.4
125.13306	2.0
127.14841	1.6
130.08694	1.3
131.07042	1.9
133.08606	48.7
134.08989	1.4
135.10162	1.8
141.16406	1.5
161.11682	1.0
168.54326	0.7
177.11229	18.3
211.24232	2.1
221.13814	3.5
251.60529	0.8
252.44353	0.8
255.26897	2.3
299.29367	4.8
327.20135	1.2
342.40646	0.8
343.32220	3.5
409.20364	0.9
415.25296	3.8
465.23547	0.8
511.27127	1.1
567.29376	1.8
599.32355	6.2
625.48785	3.9
642.51178	3.1
643.40741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.2
57.03432	10.0
57.07079	46.3
63.99729	4.9
67.05508	47.7
67.19056	4.7
69.07072	22.6
70.44027	11.3
70.44370	10.7
71.08633	31.8
79.05482	27.5
81.07059	51.3
83.04989	8.6
83.08623	17.0
85.10184	15.0
89.82034	5.9
91.05462	13.6
93.07046	33.3
95.04942	9.5
95.08594	34.9
97.10157	9.5
97.93980	6.5
105.07038	12.2
107.08597	9.2
109.06501	6.0
109.10162	18.3
111.08102	5.6
117.06986	7.8
119.08584	10.2
121.10181	8.5
126.20208	6.5
131.08647	8.4
133.10127	7.3
135.11736	6.5
149.13263	13.6
151.11240	8.4
153.41583	6.4
168.81406	5.5
197.48305	5.9
239.23616	6.2
243.21953	5.6
266.36014	6.1
269.17325	11.2
277.21387	8.5
313.27283	50.6
338.33530	5.9
351.25354	13.3
451.67688	5.9
467.36887	10.9
506.29446	6.1
507.40408	100.0
508.41110	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66717	0.5
69.20266	3.4
84.87202	0.6
98.23353	1.2
114.78576	0.6
126.77568	0.6
259.88028	0.6
328.26978	0.6
354.44022	0.6
396.12381	1.1
397.12720	2.2
410.13687	2.0
411.14490	6.2
412.15302	3.5
413.15768	1.9
423.14667	1.3
424.10635	1.1
424.15213	2.4
425.16226	10.4
426.16879	9.0
427.17114	2.1
428.18484	0.9
437.16220	0.8
438.13126	2.6
439.13785	13.5
440.14154	2.6
440.18497	3.1
441.19266	29.9
442.19644	5.6
451.14108	1.1
452.14365	4.1
453.15317	14.5
454.15836	4.5
455.16846	1.6
457.14764	1.1
458.15610	0.7
466.12097	0.7
467.17114	22.5
468.17813	15.0
469.18774	12.4
470.18814	2.1
472.16849	0.9
481.14774	12.4
482.15463	5.9
483.15906	1.0
485.18140	1.2
495.16895	2.5
496.17291	9.7
497.17624	3.6
509.18164	1.6
510.19073	0.9
512.20593	1.5
513.20453	0.7
514.22467	0.8
515.21735	0.7
523.19452	1.3
524.20093	0.6
527.22369	2.2
537.18958	0.6
540.19989	0.7
551.19360	0.8
555.22363	23.3
556.22748	3.5
583.21869	100.0
584.22101	14.6
587.24969	1.5
611.21814	2.0
614.22986	0.9
615.24408	9.6
616.24231	1.5
643.23944	46.1
644.23981	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11544	0.5
59.43887	0.5
67.05505	1.2
76.40245	0.5
79.05486	0.7
81.07042	0.6
89.06037	1.5
91.05482	1.1
91.68808	0.4
93.07085	0.8
107.08596	0.6
116.62017	0.5
122.22388	0.5
128.89290	0.4
130.68652	0.4
133.08548	0.7
154.51715	0.5
165.98085	0.5
173.13170	0.4
194.59265	0.6
273.89758	0.5
396.12189	1.1
397.13013	1.2
399.14578	0.8
410.13660	2.0
411.14587	6.1
412.15128	3.4
413.16196	0.8
423.14664	0.9
424.10803	0.9
424.15341	1.9
425.16199	10.1
426.16766	7.6
427.17178	1.6
438.12231	2.5
439.13388	8.2
440.13882	1.8
440.18427	2.2
441.19223	25.4
442.19516	3.7
450.19952	0.6
452.14331	3.3
453.15262	11.2
454.15961	4.4
466.12408	0.9
467.17197	22.9
468.17874	12.4
469.18790	11.9
470.18713	1.9
481.14822	14.7
482.15195	5.5
485.17944	0.8
495.15750	3.0
496.17154	14.2
497.17603	3.0
499.16064	0.7
508.16840	0.6
509.18216	1.7
510.18713	0.6
512.20453	0.7
514.22198	1.1
523.19202	1.1
527.22833	1.9
537.19733	0.8
542.21429	1.3
545.22900	0.8
551.25348	0.8
555.22394	17.4
556.23083	3.1
568.19891	1.0
582.24634	1.1
583.21869	100.0
584.22113	21.5
587.24884	1.2
593.26233	1.4
599.28729	0.9
611.20831	0.8
614.23096	1.0
615.24359	6.9
616.24097	1.1
625.28943	3.2
643.23761	20.6
643.39648	1.1
644.23737	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16270	2.7
56.42414	2.6
56.71861	3.0
64.38606	2.9
66.23235	3.7
67.05502	5.3
69.07072	4.2
75.92213	3.1
77.52022	3.0
79.05505	3.6
81.07060	6.7
88.54404	3.0
89.06017	4.0
91.05486	3.7
96.70081	2.7
98.23376	6.9
107.08559	4.7
109.10172	3.0
131.08493	3.8
133.10123	3.4
135.04536	3.8
150.40024	2.8
163.03860	4.9
178.87915	3.1
209.11110	3.4
236.12537	3.2
247.12117	3.4
290.16672	4.1
291.19528	3.1
302.12772	3.6
303.13702	3.1
314.16541	3.1
318.16092	4.9
365.18372	4.7
367.19617	5.5
380.20074	3.4
393.16940	4.2
395.22699	4.2
409.20184	11.4
410.20477	3.6
421.20663	3.9
423.22028	7.0
443.21756	5.2
451.21582	5.2
467.20673	6.2
469.26187	3.9
479.24780	3.6
481.22421	7.6
496.24658	13.3
497.25153	10.3
503.23642	4.5
511.27402	19.5
512.27795	6.3
523.22809	3.4
524.24438	5.3
539.26715	39.1
540.26404	5.1
557.27277	13.2
567.26099	36.9
568.26373	3.5
581.27710	6.6
583.25452	5.4
584.25092	3.7
599.28619	100.0
600.29028	16.9
601.26294	10.2
611.24579	10.0
625.26489	6.5
643.25800	24.5
644.25446	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	643.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
57.07075	1.0
62.29024	0.4
67.05495	1.4
69.74681	2.1
71.08629	0.8
71.76380	0.4
79.05496	1.8
81.07067	1.9
89.06036	2.1
91.05495	0.8
93.07059	1.7
95.08645	1.4
97.06512	0.9
105.07026	0.9
107.08566	0.5
118.06532	0.5
119.08582	0.6
121.10206	0.9
124.42775	0.5
131.08624	0.5
132.08119	0.8
133.06544	0.6
133.08640	0.9
133.10150	0.9
144.08127	0.8
148.11272	0.4
149.13177	0.5
182.09735	0.5
196.11295	0.7
197.11028	0.4
209.10721	0.6
211.12326	0.9
221.10747	0.7
223.12514	0.6
225.13916	0.4
235.12323	0.7
237.13985	1.3
239.11626	0.5
246.11459	0.9
247.12357	0.9
248.12796	0.5
249.13907	1.2
251.15396	0.6
259.12488	0.7
260.13080	0.7
261.14008	1.9
262.14395	0.5
263.15393	0.8
273.14029	0.5
273.18597	0.5
275.15268	1.4
276.15994	0.8
277.16306	0.5
278.16876	0.6
287.14413	0.5
288.15063	0.9
289.17035	1.8
290.16635	0.7
313.15662	0.6
314.16705	0.7
327.17325	0.7
328.18262	1.1
338.16544	0.8
340.18161	1.1
350.16333	0.6
352.17911	1.6
353.18408	0.7
354.19717	1.0
361.14911	0.5
362.15652	0.9
363.16312	1.0
364.17648	0.6
365.17957	0.8
366.19186	0.9
367.19403	0.6
368.21307	1.6
375.16241	0.6
376.16977	0.8
377.17572	5.5
378.18393	1.9
379.19168	3.6
380.20456	0.7
381.21021	1.0
389.17947	0.9
390.18378	0.5
391.19250	4.9
392.20004	3.7
393.21063	3.8
394.17941	1.3
395.18472	2.7
400.20261	0.8
402.21866	0.6
405.20840	3.6
406.21603	3.9
407.18045	0.8
407.22498	8.3
408.19144	1.0
409.20184	8.3
410.20749	1.3
419.22662	0.7
420.22836	0.6
421.24026	6.4
422.21002	0.8
423.21967	6.6
424.22852	2.2
426.21808	0.7
432.19202	0.5
433.19876	0.7
435.18329	0.6
436.18985	0.6
437.23404	1.3
438.23904	0.8
439.20908	0.8
440.23502	0.7
447.21799	0.8
449.19757	1.2
450.20074	0.8
451.20807	2.6
452.21509	0.7
463.21118	0.8
464.22275	1.1
465.22888	12.2
465.29092	0.9
466.23233	2.1
469.23709	0.5
477.22842	0.6
478.23779	0.9
479.24661	4.5
480.25238	2.1
481.21420	0.8
482.23215	1.8
493.26230	2.2
494.26447	2.0
495.27908	6.1
496.25040	1.5
497.25531	2.1
502.26880	0.6
507.27536	1.4
510.25992	0.6
511.27161	13.9
512.27142	1.3
524.25165	0.9
525.29108	2.2
526.29474	1.3
527.27625	0.8
535.26917	0.9
537.25024	3.5
538.25470	0.9
539.26105	2.2
541.28229	1.6
550.27106	0.8
551.26172	0.8
552.27179	2.0
553.28058	1.1
555.26007	2.5
556.26465	0.6
567.29608	25.7
568.30109	4.3
569.27393	5.0
570.28491	0.8
582.29510	0.8
583.29138	7.7
584.30005	4.2
599.32263	100.0
600.32587	14.1
611.28638	1.6
643.31500	6.6
644.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26949	1.2
51.33617	1.3
63.63237	1.1
69.13934	2.8
69.14339	8.2
70.06602	4.5
75.26597	1.1
79.05476	1.5
81.07084	1.4
83.05038	1.6
85.02908	2.4
86.09724	1.5
93.07038	1.7
98.23439	1.4
120.08056	1.5
136.91090	1.4
138.09137	1.6
138.35965	1.4
146.11636	1.3
152.67867	1.3
170.67326	1.4
185.04341	1.4
198.25002	1.4
220.51570	1.5
280.71085	1.4
319.22397	18.4
329.08557	10.8
337.23477	28.6
337.27295	1.9
366.63815	1.4
447.55945	1.8
490.20291	3.0
549.05444	1.3
611.24884	2.2
612.47418	1.4
643.32953	100.0
644.32947	13.8
644.40643	1.2
668.47632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04763	0.3
55.05513	6.9
56.05032	3.1
57.05807	1.3
57.73026	0.3
59.07969	0.3
69.31715	1.6
70.06593	2.6
70.97160	0.3
72.08156	67.1
73.08488	1.5
78.51337	0.3
82.06566	0.5
84.04506	5.4
84.08144	72.9
85.08485	1.5
86.09705	5.6
98.23324	0.5
101.10773	2.5
102.05543	11.0
102.09212	0.4
110.07168	0.4
111.09202	0.8
112.07610	0.3
117.10284	0.5
126.12840	0.3
129.10240	100.0
130.10631	1.8
136.07594	0.9
138.09114	1.5
139.08658	0.5
141.10315	0.6
152.14249	0.4
155.08147	0.4
156.10205	1.7
157.09747	0.3
173.09225	0.3
183.11298	2.9
183.14922	1.7
189.12335	0.8
197.16513	1.8
201.12346	19.9
202.12686	0.7
205.87938	0.3
207.14963	0.7
211.10870	0.4
211.14415	0.5
213.16003	0.3
224.17520	1.5
228.17070	20.4
229.11832	22.8
229.17352	0.6
230.12146	0.8
238.15591	0.5
242.18585	0.9
270.18082	1.1
300.19223	0.4
317.21857	11.8
318.22250	1.0
323.24420	0.6
328.18631	8.3
329.18924	0.5
339.20282	0.4
341.25403	1.3
342.25812	0.4
357.21237	0.9
416.28714	10.1
417.28903	0.9
423.08667	0.4
438.27252	0.4
441.26965	0.3
452.28577	0.5
456.28177	6.4
457.28922	0.8
480.28418	0.5
498.29144	1.3
541.36908	1.9
545.32410	0.7
551.35431	4.0
552.35272	0.7
569.36536	14.8
570.36865	2.2
644.39734	26.1
645.30194	0.5
645.40295	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.07075	33.4
59.04986	1.0
67.05498	1.0
69.07068	3.3
69.67710	0.7
69.72025	1.3
69.72437	2.2
71.08633	26.2
73.02905	0.7
73.06558	7.4
81.07034	1.7
83.08615	2.6
85.10182	17.3
87.04466	8.2
87.37628	0.7
89.06030	100.0
90.06347	1.2
91.05463	0.7
95.08595	1.1
97.10170	3.6
98.23344	0.9
99.11726	4.0
107.07070	2.2
111.11724	2.1
113.13287	1.6
117.09129	7.0
126.91524	0.6
127.14845	1.2
127.92814	0.6
129.80565	0.6
130.08652	1.7
131.07060	1.9
133.08607	48.2
133.52663	0.6
134.08913	1.5
135.10210	1.1
161.11777	1.7
169.19563	3.5
175.09639	1.7
177.11214	20.4
213.22162	2.3
221.13847	4.3
239.14902	1.2
257.24753	7.4
261.13928	0.7
265.16476	0.8
266.50284	0.7
283.17581	1.1
301.27255	3.4
371.23087	0.8
425.19833	1.4
439.21368	1.1
459.27924	2.5
481.22284	1.1
499.23352	2.1
513.24646	1.3
525.25195	3.2
585.26978	3.2
613.27460	1.0
627.46692	3.5
644.26453	1.8
644.48834	2.4
645.29095	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96900	0.6
67.05508	1.3
70.06590	1.6
71.29964	1.5
72.08157	0.9
79.05516	1.1
81.03416	1.0
81.07064	1.7
84.08150	1.2
85.02900	1.4
91.05471	1.3
93.07043	1.2
94.06596	1.2
96.08143	1.3
97.02869	0.8
107.08596	0.9
108.08109	1.2
110.09674	1.8
120.08129	1.4
127.03920	1.2
129.07098	0.7
138.09148	1.7
148.07512	0.8
166.08684	2.5
196.28973	0.7
224.12181	0.7
225.10172	1.3
229.55667	0.7
237.10246	1.5
239.11861	1.4
249.10156	0.9
250.02112	0.9
251.11951	1.2
253.09868	0.8
254.10669	0.8
263.11862	1.1
265.09793	1.2
265.13220	1.5
283.10690	1.0
285.12442	2.1
297.12482	1.4
298.13104	0.9
299.13925	0.8
309.12354	3.2
311.13974	1.2
320.29111	1.0
321.29776	0.8
325.11838	0.9
327.06897	0.8
327.13339	6.5
328.13770	0.7
337.11740	0.9
339.13531	1.7
359.16153	1.3
369.14438	3.8
371.16095	2.9
409.17130	0.7
432.19220	1.4
448.18689	1.5
460.18695	2.9
480.21252	2.6
491.20483	1.0
492.21155	6.6
523.23157	2.7
524.23474	1.2
603.25989	1.7
613.25964	1.0
645.27161	100.0
646.27588	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93260	0.2
53.42776	0.3
57.07080	1.2
62.58029	0.3
67.05528	0.2
69.56900	1.1
69.57301	0.4
71.08637	1.1
73.06548	0.4
79.05527	0.3
81.07057	0.4
85.10191	0.5
87.04465	0.3
89.06038	4.1
91.05479	0.4
93.07065	0.3
95.08617	0.3
99.04540	0.2
117.07006	0.3
117.09160	0.4
131.07095	0.2
133.08606	2.1
143.08684	0.3
145.07635	0.8
152.49329	0.3
173.07114	1.7
173.10764	0.4
177.11340	0.6
209.10789	0.6
221.10791	0.8
222.11406	0.5
223.12340	1.2
224.13075	0.7
230.08188	0.2
232.09766	0.3
233.09091	1.5
234.11505	0.3
235.12314	1.3
236.09619	0.3
236.13042	1.9
237.13812	2.2
238.14548	0.9
239.15401	0.8
246.11580	0.7
247.12279	0.5
249.10170	0.5
249.13889	2.8
250.10962	0.3
250.14679	0.6
251.11839	0.6
251.15425	1.8
252.12529	0.4
252.16141	0.7
261.13895	6.7
262.14734	1.5
263.11880	0.4
263.15332	0.4
264.12726	0.9
265.13498	0.8
267.14987	0.9
275.15451	0.5
276.15228	0.5
277.13486	0.6
278.13824	0.3
279.14877	3.7
280.15717	0.9
289.13440	0.3
301.16010	0.4
304.11899	0.4
314.16724	0.4
315.17633	0.3
316.17633	0.3
324.14862	0.4
325.15829	0.3
326.16422	0.4
328.18417	0.4
330.19669	0.4
336.15417	0.4
339.16559	0.5
340.17880	1.1
341.18161	0.4
342.15961	0.3
352.17859	0.5
353.17773	0.6
354.18665	1.4
355.19180	1.4
358.19122	0.5
363.16684	0.4
364.17264	0.6
365.17621	2.2
366.19046	0.9
367.19424	1.3
368.16214	0.3
368.20102	1.3
369.16821	0.3
369.20810	2.1
376.18033	0.4
377.17859	0.6
378.18994	0.4
379.19321	1.9
380.20581	0.5
381.16931	0.7
381.21173	0.6
382.17792	0.5
383.18677	0.7
383.22574	0.8
393.20895	1.0
395.18909	1.0
396.19415	0.7
397.20288	1.5
400.19724	0.3
401.20895	0.3
402.21518	0.4
406.15417	0.3
409.20395	0.4
410.19186	0.3
411.17969	0.7
411.22635	0.4
412.19763	0.6
413.19522	0.4
420.16925	0.5
422.18509	1.3
423.18286	0.7
424.18997	0.8
425.19766	6.1
426.20526	0.8
427.21606	0.9
434.15039	0.5
436.20599	0.5
437.19595	2.1
438.21109	1.4
439.21426	4.1
440.22559	1.2
441.19055	0.5
442.24298	0.6
448.16629	0.4
449.17731	1.0
450.18268	0.7
451.21808	0.6
452.22189	0.9
453.22598	0.9
454.24612	0.3
455.20450	1.4
456.21381	1.7
457.26785	0.6
466.20151	1.6
467.20959	0.9
470.23608	0.5
471.23975	2.2
472.24799	0.4
479.24933	0.3
480.20612	0.4
481.22479	2.7
482.22067	1.0
483.19995	0.7
484.20804	2.3
488.25378	0.4
494.21381	0.3
499.23422	10.6
500.23599	1.7
502.17581	0.4
509.19159	0.5
510.23746	0.6
511.23187	0.5
512.24457	0.9
513.25104	5.9
514.25964	1.4
515.26563	0.7
518.20569	0.4
525.24988	9.4
526.25122	2.4
527.26086	0.7
529.27692	0.9
530.28351	0.8
532.27570	0.4
536.21973	1.1
539.26611	1.5
540.25458	0.4
541.25964	0.4
542.25476	0.5
543.26044	1.1
553.24554	1.2
554.24597	0.7
557.27655	1.9
558.28320	1.0
567.26251	0.6
568.25012	0.7
569.18628	1.3
569.27362	0.6
571.25623	0.7
585.17896	0.4
585.27063	6.6
586.27484	3.3
587.27930	0.4
596.24365	1.6
597.23694	0.5
601.30420	0.4
606.97028	0.3
613.26709	5.9
614.26733	0.7
625.69208	0.3
627.28156	4.3
628.28094	1.1
645.29163	100.0
646.29456	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	645.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01858	0.4
59.01472	0.3
62.21053	0.3
65.03901	0.5
67.05501	4.0
69.07050	0.7
69.19339	1.7
69.19741	0.8
70.06592	7.0
72.08156	2.2
74.86201	0.4
78.38824	0.4
79.05497	2.9
80.04979	1.4
81.05772	1.2
81.07053	1.0
82.06612	1.9
84.04449	0.4
84.08109	1.8
85.02888	0.8
86.09709	2.7
91.05499	3.1
93.05743	0.6
93.07047	6.0
94.06576	10.0
95.04936	1.2
95.07354	7.5
95.08564	1.2
96.04469	0.5
96.08131	13.7
97.02815	0.5
97.06532	1.0
98.06039	0.5
103.05463	1.1
107.07304	0.5
108.04472	2.6
108.07431	0.6
108.08119	10.5
109.08870	1.2
110.06006	0.4
110.09682	21.6
111.09991	0.6
114.09138	0.6
116.04977	0.4
118.06480	0.7
120.08109	16.1
121.06480	0.7
121.08429	0.6
122.06037	10.0
122.09663	0.5
124.07590	1.2
125.09595	0.4
127.03870	0.5
129.10175	1.2
130.04988	0.9
132.04410	1.5
133.10123	0.5
134.05965	1.7
136.07579	7.1
138.09137	24.9
139.09457	0.8
144.04494	0.6
145.10062	0.4
146.06006	0.9
148.07565	4.2
150.09129	2.6
152.07045	3.1
160.03938	7.8
160.07520	0.7
162.05493	0.6
164.07100	3.2
166.08643	33.1
167.08961	0.8
168.10107	0.5
172.03934	1.2
172.07503	0.6
173.07057	0.5
174.05440	0.4
174.09061	0.5
176.06906	0.4
178.05037	3.3
187.08620	0.5
190.05043	0.5
192.06554	0.7
197.10730	1.2
198.11507	0.7
199.08632	3.3
204.06502	0.8
209.10683	1.0
210.11342	0.7
211.08684	4.2
211.12325	2.3
211.14073	0.4
212.07382	0.6
212.09248	2.1
212.13072	0.8
212.15358	0.4
213.06569	0.7
213.10229	2.3
213.13809	0.6
216.06615	0.5
217.13570	0.5
220.09799	0.6
221.10699	1.0
222.11391	2.2
223.08664	4.2
223.12268	1.5
224.09410	1.3
224.13045	1.1
225.10204	14.7
225.13820	1.1
226.10963	8.4
227.08220	0.7
227.11778	4.6
234.11490	0.5
235.08516	2.5
235.12263	1.8
236.09454	1.6
236.13011	0.9
237.10217	7.4
237.13826	2.5
238.10974	5.3
239.08163	9.4
239.11780	15.3
240.12518	5.3
241.09782	1.0
241.13223	1.3
243.15016	0.4
247.12222	1.0
248.09213	2.7
248.13092	0.6
249.10213	7.2
249.13068	0.4
249.13934	0.5
250.10933	7.7
251.08183	3.8
251.11780	17.9
252.08965	1.4
252.12482	4.9
253.09720	6.2
253.13348	11.8
254.10512	10.9
254.13808	0.7
255.11139	1.6
255.14886	1.5
255.86601	0.5
257.09213	0.6
257.13040	0.5
262.11075	0.7
263.08578	0.6
263.11792	14.0
264.09052	1.5
264.12543	6.9
265.09747	7.0
265.13345	18.0
266.10559	3.2
266.14001	2.4
267.11279	7.3
267.14862	2.3
268.11847	1.2
269.09100	0.8
269.12881	0.9
271.10986	2.1
271.14148	0.5
275.11859	1.0
277.09714	2.0
277.12933	0.6
278.10574	2.3
279.08139	0.8
279.11261	7.4
280.11880	1.3
281.12814	12.7
282.10333	0.7
282.13492	2.4
283.10764	4.9
283.14398	4.5
284.11478	1.9
285.12326	13.0
286.13019	2.8
291.11298	4.2
292.11807	0.6
293.09457	1.0
293.12781	6.3
294.10413	0.7
294.13513	2.5
295.10800	2.7
295.14258	1.2
296.11475	4.0
297.12314	6.5
298.12964	1.1
299.13904	13.6
300.14362	1.2
305.09286	0.5
307.10760	1.3
308.11539	0.9
309.12329	62.1
310.12863	5.8
311.13864	20.8
312.14340	1.4
313.11920	1.4
313.15436	0.4
319.10767	2.3
320.11646	1.0
321.12396	4.0
323.10355	0.8
323.14044	0.8
324.10855	0.9
325.11838	3.4
325.15359	0.7
325.84851	0.5
326.12750	1.1
327.13385	100.0
328.13708	7.4
337.11853	10.8
337.15137	0.3
337.15979	0.5
338.12436	4.2
339.13409	9.7
340.13870	0.9
341.14987	5.3
342.15710	0.6
344.13681	0.7
344.17725	0.7
345.14316	0.7
353.14938	0.7
356.13675	0.6
357.14526	3.9
358.15271	1.8
359.16028	13.5
360.16614	1.3
369.14447	35.6
370.15045	3.5
371.16003	27.5
372.16663	2.5
386.18634	0.5
398.70486	0.5
402.18051	0.7
404.19730	3.2
414.18192	1.2
416.19745	4.2
418.17346	0.7
420.19095	0.5
430.17581	4.6
431.17883	0.6
432.19168	15.5
432.25095	0.8
433.19839	2.1
442.17542	1.2
446.20789	0.8
448.18640	29.7
449.18942	2.5
450.20535	0.5
460.18677	38.9
461.19080	3.9
474.20236	3.4
480.21317	37.3
481.21616	3.2
483.28964	0.5
491.20908	0.6
492.21298	61.3
493.21710	6.4
506.23065	1.0
523.23181	1.2
524.23938	1.4
595.25592	2.0
613.26471	4.7
614.26953	0.9
627.28058	1.6
645.29919	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	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70893	0.8
52.78405	0.6
53.03947	1.6
65.03932	0.7
67.00019	0.6
67.05503	5.7
67.52583	0.7
68.74545	0.7
69.07062	1.4
69.21873	0.6
70.06597	4.0
72.08137	2.3
78.45821	0.6
79.05476	2.8
79.33981	0.7
80.04999	1.9
81.05821	0.8
81.07049	1.6
82.06596	1.6
84.08137	1.3
86.09720	3.2
91.04970	0.7
91.05472	4.0
93.07043	7.5
94.06563	9.8
95.04964	1.3
95.07352	7.2
95.08627	1.3
96.07561	1.1
96.08131	14.6
97.06535	1.6
103.05467	1.4
107.08548	0.7
108.04464	2.7
108.08109	11.5
109.08949	1.0
110.09677	24.3
120.08102	17.2
122.06024	9.8
124.07545	1.2
125.68396	0.7
127.03931	0.7
129.10188	0.9
132.04442	2.1
134.06041	1.9
135.11768	0.7
136.07565	6.3
138.08090	1.4
138.09132	24.6
146.06018	1.0
148.07568	5.8
150.09111	2.6
152.07071	3.2
160.03934	9.8
161.97406	0.7
162.05499	1.2
164.07043	3.5
165.15941	0.7
166.08630	34.8
167.08951	0.8
172.04013	1.7
178.04968	2.4
190.04939	1.2
192.06502	0.9
197.10689	0.9
199.08546	3.2
204.06482	1.2
209.10796	1.3
210.11388	0.8
211.08629	4.4
211.12256	2.4
212.09424	2.5
212.13127	0.8
213.10211	2.8
221.10692	1.7
222.11331	0.8
223.08649	5.4
223.12325	1.8
224.09274	1.6
224.12840	1.0
225.10208	16.8
225.13872	1.8
226.11011	7.5
227.11833	6.0
229.13354	0.9
229.15442	1.1
235.08643	3.0
235.12337	1.4
236.09470	2.7
237.10283	8.0
237.13866	2.6
238.10950	5.3
239.08185	9.7
239.11772	16.4
240.12500	5.5
241.09727	1.5
241.13293	1.8
247.12544	1.1
248.09433	3.0
248.13051	1.0
249.10223	7.4
250.10934	8.8
251.08122	4.3
251.11777	17.9
252.08748	1.5
252.12453	4.8
253.09576	6.3
253.13391	13.2
254.10471	13.6
254.13353	1.1
255.11105	2.1
255.14920	0.9
262.11154	0.8
263.11752	15.7
264.09146	1.3
264.12469	6.5
265.09814	6.8
265.13348	23.3
266.10355	2.4
266.13901	3.3
267.11295	7.8
267.14923	1.8
268.11984	1.0
269.12952	1.1
271.10730	2.6
271.13849	0.8
276.12637	0.9
277.09714	3.1
277.13049	0.7
278.03873	0.9
278.10547	2.2
279.11282	8.1
280.11914	1.2
281.12854	12.4
282.10190	1.4
282.13397	2.6
283.10782	5.7
283.14346	4.4
284.11499	2.1
285.12302	11.4
286.13004	2.3
291.11295	2.6
293.09692	1.1
293.12781	6.6
294.10211	1.2
294.13559	2.4
295.10852	3.4
295.14273	1.4
296.11520	5.1
297.12308	7.7
298.13065	2.3
299.13907	15.1
307.10733	1.1
309.12317	62.3
310.12683	5.2
311.13867	22.4
312.14301	2.4
313.11954	1.1
319.10754	2.8
320.11554	0.9
321.12225	5.2
324.10934	1.1
325.11823	2.9
326.12521	2.0
327.13376	100.0
328.13766	6.8
330.16010	0.9
337.11865	10.1
338.12534	4.3
339.13480	10.5
341.15042	4.5
344.13596	1.1
345.14581	0.7
353.14719	0.8
357.14374	4.2
358.15125	2.0
359.16034	14.1
369.14426	36.7
370.14990	5.7
371.15964	29.4
372.16635	3.4
402.17990	0.9
404.19608	4.4
414.18317	1.5
416.19662	5.5
430.17767	4.6
431.18051	0.8
432.13547	1.2
432.19186	15.9
433.19696	1.3
442.17776	1.6
448.18625	29.9
449.19086	2.3
460.18665	38.7
461.18967	3.8
474.20044	3.0
478.19205	1.2
480.21274	32.4
481.21487	3.2
490.20233	0.8
492.21265	65.5
493.21585	7.0
506.22659	1.8
523.23090	1.5
524.23987	1.8
595.25177	1.9
613.26489	4.6
627.27979	1.2
645.25269	1.4
645.36005	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	645.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28960	1.2
51.09634	1.3
52.06187	1.2
53.01759	1.4
55.05512	2.3
56.05028	1.8
58.06592	6.4
67.05515	8.9
68.05856	2.1
69.03413	2.6
69.07086	2.5
69.46158	7.5
70.06604	4.1
72.08156	2.7
79.05499	7.1
80.04996	1.8
81.07049	4.5
82.07368	1.3
84.08138	5.5
85.02903	4.1
86.09727	1.5
91.05488	5.3
93.07051	7.3
94.06568	5.7
95.04952	1.7
95.07359	3.3
95.08617	3.1
96.07616	1.4
96.08131	7.9
97.06498	1.6
103.03897	2.9
103.05447	1.6
105.07032	2.6
107.08622	3.6
108.04483	2.2
108.08118	6.3
109.02869	2.7
110.09694	16.9
120.08109	11.1
121.10148	1.8
122.06037	5.9
124.07602	2.1
127.03903	5.1
128.04211	1.8
129.10207	1.9
132.04466	1.7
133.10124	1.6
134.06038	1.7
136.07541	6.3
138.09161	16.1
140.35011	1.4
148.07587	4.5
150.09145	3.2
150.41261	1.3
152.07072	5.4
160.03964	4.6
164.07111	4.1
166.08652	21.6
172.03943	1.6
190.05006	1.6
199.08614	2.3
204.06572	1.7
205.84879	1.4
209.10707	1.5
211.08658	3.7
211.12236	2.4
212.09511	1.3
223.08643	4.1
223.12303	1.9
225.10255	9.8
226.10991	4.9
236.09430	1.7
237.10228	6.9
237.13963	2.5
238.10950	5.9
239.08202	4.1
239.11775	10.7
240.12569	2.4
244.51091	1.5
249.10185	3.2
250.11017	5.3
251.08124	2.6
251.11806	13.8
252.12439	2.4
253.09601	3.2
253.13286	6.7
254.10590	5.5
255.11407	1.5
263.11807	8.6
264.12552	4.5
265.09836	4.6
265.13361	11.9
266.10257	1.8
266.14108	1.9
267.11365	4.2
277.09634	1.5
279.11258	5.7
280.11859	3.1
281.12759	8.5
283.10883	3.7
283.14328	2.4
284.11627	1.7
285.12259	9.2
293.12888	3.7
295.10834	1.8
296.11539	2.0
297.12350	7.7
299.13855	12.6
302.28293	3.9
303.28708	3.2
309.12341	35.5
310.12909	4.6
311.13849	13.4
319.10675	2.5
320.29413	9.0
321.12381	3.4
321.29825	6.6
325.11707	2.4
327.13385	52.2
327.17392	2.5
328.13919	3.3
337.11810	9.0
338.12335	3.6
338.30511	7.5
339.13452	5.1
339.30835	5.2
341.14838	3.0
357.14496	2.3
358.14725	2.5
359.16083	10.5
369.14450	22.2
370.15079	2.8
371.16025	16.4
372.16373	2.1
404.19464	1.5
416.19772	2.4
430.17487	4.0
432.19193	9.8
448.18762	15.4
449.18948	3.6
450.20093	2.0
460.18671	21.3
461.18982	2.6
474.20389	2.6
480.21298	19.8
481.21506	2.2
490.19382	3.1
491.20621	1.9
492.21265	36.0
493.21677	3.9
522.21674	2.7
523.22491	2.5
585.24585	1.8
595.25421	2.2
603.26245	1.8
613.26636	7.8
644.39740	4.9
645.26978	100.0
645.39587	19.2
646.27557	12.4
646.37634	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	645.3455
Annotation	Ervafoline
Peak:m/z	Relative Intensity
79.05502	0.6
81.07075	1.3
82.34093	0.6
84.08149	1.3
85.02912	0.9
95.08600	0.7
105.07025	0.8
107.08672	0.7
119.08617	0.7
127.03915	0.9
185.04280	2.9
267.08530	2.1
321.23898	3.6
327.13663	1.0
329.08405	27.0
330.08728	1.3
339.25085	8.7
492.21472	1.0
627.33258	0.8
645.34552	100.0
646.35059	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07611	3.3
50.07850	3.3
53.03950	8.4
54.55853	3.6
55.05519	31.2
57.03433	17.3
57.07069	4.8
65.03939	6.6
67.05507	82.0
69.05006	30.7
69.07075	25.8
71.04991	4.5
79.05489	64.4
79.05921	6.3
79.16521	3.4
81.07056	87.8
83.08619	10.6
85.06525	5.2
91.05478	48.3
93.07045	69.3
95.03746	3.3
95.05001	7.2
95.08607	59.3
95.17921	3.3
97.06515	8.6
97.10188	4.9
99.08044	4.0
105.07040	38.7
105.20028	4.1
107.08585	45.2
108.80833	3.7
109.06518	6.0
109.10162	32.1
111.08085	5.3
115.05389	3.9
117.07022	14.9
119.08588	34.1
121.10165	31.0
123.11711	9.8
125.09642	4.0
129.06979	8.0
131.08565	25.2
133.10109	21.7
135.11674	21.0
137.09555	4.6
143.08556	7.8
145.10158	13.1
147.11667	17.6
149.13261	15.8
159.11719	13.5
161.13246	13.5
165.12653	3.9
173.13286	10.2
177.78636	3.8
182.51831	3.6
185.13255	7.4
187.14877	8.6
191.12558	3.4
241.19527	8.6
256.75763	3.3
259.20575	23.3
261.22046	7.5
277.21643	16.1
333.24326	8.7
335.25793	100.0
336.26297	5.7
351.25397	35.3
494.19254	4.3
611.46417	22.8
646.46826	14.8
647.48596	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.7
55.01877	5.3
55.05518	34.6
57.03437	16.9
57.07063	4.3
65.03931	6.1
67.05508	83.9
67.05843	7.4
67.68607	3.9
69.04700	31.4
69.07070	32.3
71.04984	4.3
79.05495	66.7
80.05850	4.1
81.07060	100.0
81.07529	7.0
83.04993	7.1
83.08633	21.3
85.78031	4.5
91.05485	65.5
93.07048	79.1
95.04991	6.6
95.08612	71.4
97.06536	19.1
97.10212	6.5
99.08125	5.5
105.07018	40.5
107.08580	35.1
109.06496	6.3
109.10159	29.3
111.08135	5.2
117.07038	16.0
119.08595	43.4
121.10165	26.3
123.11727	12.2
129.07011	8.6
130.07799	4.2
131.08578	15.5
133.10139	23.1
135.11708	16.3
143.08583	4.9
145.10123	12.3
147.11691	28.6
149.13164	7.2
157.10159	4.5
159.11702	14.5
161.13287	17.4
163.14868	8.2
165.12672	7.0
171.11697	6.1
173.13300	8.1
175.14922	5.2
185.13185	6.8
241.19528	7.6
259.20639	16.8
261.22076	6.5
267.86887	4.6
277.21655	24.5
311.71295	4.2
333.24261	12.1
335.25784	92.8
336.26260	5.8
351.25290	34.6
405.34662	4.5
423.13129	4.7
467.52704	4.5
611.46246	14.9
617.27356	5.0
646.47229	32.5
647.48755	21.2
647.57190	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	646.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	17.8
53.60189	13.6
55.05502	38.1
57.03430	20.1
57.07099	17.6
63.90077	12.3
67.05507	84.5
69.07056	31.7
71.08611	14.0
79.05488	80.6
81.07056	100.0
83.08611	24.6
83.91350	11.9
87.21352	15.8
91.05466	83.9
93.07055	67.1
95.08615	76.9
105.07018	80.6
107.08566	60.1
109.10143	26.9
116.55867	13.9
117.07025	24.6
117.55727	12.5
118.18452	12.2
119.08578	42.9
121.10141	47.5
129.07002	17.8
131.08566	29.4
133.10124	62.0
133.61559	15.2
135.11687	32.1
143.08501	14.3
145.10089	22.6
147.11696	39.7
149.13313	23.8
150.25475	12.7
159.11731	29.3
171.11719	21.6
173.13339	14.6
225.14276	14.9
259.20609	43.0
261.22144	18.6
293.97580	12.6
333.24222	41.1
335.25699	66.1
367.74051	12.9
462.11084	12.8
611.46521	23.7
634.90692	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04793	0.4
56.05040	5.7
57.03430	1.1
57.07074	1.2
58.06602	2.5
59.64738	0.3
67.05517	0.5
69.07059	0.8
71.08629	1.0
71.30051	0.2
71.30490	0.4
74.06081	33.5
80.41202	0.3
81.07062	0.8
83.08634	0.4
84.04514	1.3
85.10176	0.5
86.06068	0.7
86.09706	100.0
87.09531	0.3
87.10022	1.9
90.56932	0.3
91.05476	0.8
95.08610	1.0
96.04502	1.0
101.07143	0.4
103.05486	1.0
105.07088	0.4
109.10131	0.4
115.47588	0.3
120.08109	20.5
125.10761	1.1
130.05023	0.4
131.04945	0.6
142.12273	1.3
143.08588	0.3
143.11809	1.2
146.05951	0.4
146.09631	0.6
149.05983	0.6
152.10693	4.2
158.09659	1.1
160.15752	0.3
166.08638	13.4
169.13403	1.0
175.12328	0.5
186.09142	0.9
187.14417	5.1
192.10223	0.6
197.12909	1.6
203.11832	0.9
211.20630	0.6
215.13916	5.4
216.14255	0.3
221.12854	1.9
231.11304	0.8
240.23296	0.6
241.71799	0.3
249.12326	3.1
267.13388	25.7
268.13651	1.0
268.22766	1.0
272.16125	0.7
277.11902	1.8
316.20325	0.3
334.91309	0.3
362.20703	6.4
363.21469	0.5
380.21628	0.6
381.31097	12.4
382.31332	1.0
419.23013	0.6
436.35352	3.4
438.33582	0.6
454.36414	1.5
464.34671	2.3
482.35916	3.5
516.34326	0.8
583.42383	0.6
587.22308	0.8
629.42621	5.7
630.43054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39816	0.5
55.05513	0.7
57.03423	1.5
57.07076	4.2
60.42208	0.5
67.05508	1.6
69.07074	1.7
71.08624	2.1
71.22614	0.8
74.41006	0.5
77.27815	0.5
78.62217	0.5
79.05492	0.7
81.07057	3.1
81.53992	0.5
83.08618	1.2
83.38448	0.5
85.10192	1.7
93.07015	0.8
95.08640	1.2
102.90503	0.5
109.10142	0.8
111.04405	0.8
111.87225	0.5
117.74418	0.5
119.08556	0.6
121.10181	0.6
137.05983	2.9
149.13266	0.7
294.80536	0.5
304.59354	0.7
313.27448	1.0
327.84610	0.7
335.18289	19.5
336.18823	1.3
347.94113	0.6
391.20847	7.5
392.21521	0.5
396.37463	0.6
647.44934	100.0
648.45197	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.6
65.80811	0.4
67.05504	0.6
69.33651	1.6
69.34061	1.1
81.07065	0.5
91.05479	0.6
93.07045	0.5
95.08608	0.5
102.42381	0.4
105.07029	0.5
119.08572	0.4
149.09593	0.5
190.25981	0.4
231.11214	0.4
302.72681	0.4
307.78073	0.4
314.12866	0.4
387.16098	0.7
388.16971	0.6
389.17603	1.4
390.18097	0.7
401.17883	0.6
402.18857	0.6
403.19049	3.0
404.20148	0.9
413.17163	0.5
415.19400	1.3
416.15637	0.7
416.20157	1.1
417.17010	2.3
417.21045	1.7
418.21835	0.8
419.22421	3.6
420.22586	0.6
429.16736	1.0
430.17029	2.1
431.18045	4.6
432.19095	1.9
444.19104	0.8
445.20169	20.2
446.20807	7.7
447.21838	4.9
458.20865	1.2
459.22388	2.4
460.22519	0.8
468.18530	0.6
469.19473	0.6
470.20078	0.6
473.23788	0.8
474.23083	2.6
475.21548	1.9
477.22632	0.5
484.21539	0.9
486.19373	1.5
487.20352	1.8
488.21014	1.5
491.24335	0.6
500.20789	2.3
501.21530	6.5
502.22281	9.2
503.22498	0.9
505.22021	2.7
514.22607	2.6
515.23053	0.8
517.22589	1.3
518.22644	0.6
528.23914	2.0
529.24036	0.7
532.24677	1.8
533.25476	12.9
534.25519	1.5
546.21375	1.1
549.24731	0.5
556.23456	1.0
560.25293	1.5
561.24927	3.0
573.22705	0.5
577.24158	0.8
588.26050	21.5
589.26147	3.4
592.26807	2.4
593.27124	0.7
616.25616	1.0
648.28119	100.0
649.28406	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	648.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.05029	5.8
60.04530	12.2
64.92268	1.1
67.80569	1.0
68.05034	1.0
69.04537	1.4
69.07075	1.5
69.45470	3.7
69.45875	1.4
70.02955	13.2
70.06594	27.7
70.75047	0.8
72.04515	5.5
72.08163	7.4
74.06069	2.4
75.05594	2.0
80.05006	1.0
82.02940	2.7
83.06107	2.0
84.04501	5.5
84.08142	11.0
85.02864	1.8
85.04031	6.2
86.06082	1.0
86.09708	100.0
87.05587	3.9
87.10043	1.9
88.03993	40.4
96.04476	1.3
97.02905	1.1
97.04018	1.0
98.02416	3.2
98.06102	1.0
98.09702	10.7
99.04495	0.9
99.05573	11.7
100.03958	2.4
101.07140	7.5
102.05557	1.1
104.07088	4.6
109.03947	1.3
110.02406	6.7
110.07151	2.0
110.09682	1.3
111.05565	4.8
112.04012	0.9
113.03497	0.8
115.08679	1.1
115.98960	0.8
116.03458	2.7
116.07139	1.2
117.06601	4.7
120.08124	2.0
123.05568	1.2
125.07114	2.3
126.05507	1.2
126.09140	2.3
127.04041	2.3
127.05035	52.5
128.10713	3.4
129.06616	2.0
129.10214	7.0
130.04993	3.1
132.08095	1.3
133.06120	1.2
136.05037	1.0
136.07584	4.3
138.09129	1.6
139.05019	4.1
141.06592	1.5
141.10204	0.9
143.04492	2.1
143.08119	2.6
143.11823	2.2
144.10187	1.2
145.06078	22.6
146.06235	0.9
150.01830	2.0
151.05031	2.0
153.06557	2.1
154.06122	2.9
155.04503	3.4
155.08080	0.9
155.11777	4.0
156.02921	1.6
156.10155	1.5
157.06064	2.9
159.07579	1.6
163.03900	2.2
167.04482	2.9
167.11839	3.7
168.02826	0.8
169.06094	2.7
169.09734	1.0
169.13364	3.6
171.07642	1.9
171.11333	1.8
172.07176	3.7
173.05586	22.8
173.12856	13.9
179.04523	5.0
181.06082	1.0
182.05615	2.5
183.11255	2.5
184.07124	2.0
185.05594	8.3
187.07143	3.2
190.08224	1.3
195.03993	2.4
195.11267	6.2
196.07208	5.6
197.05513	4.1
200.06657	1.2
201.12285	7.7
203.06671	4.4
203.10382	1.0
206.05609	1.0
207.04034	3.5
210.05019	0.9
211.64746	1.0
212.13927	2.2
213.04994	1.2
213.12317	11.5
214.08255	3.6
215.06642	3.6
217.15474	14.7
222.12366	1.3
223.10762	12.6
224.06654	12.4
225.05098	5.8
231.06172	5.9
232.09261	1.9
236.06703	1.8
240.13429	7.8
241.11731	5.2
242.07713	18.2
243.06126	1.5
252.06146	2.3
253.09358	2.3
258.14429	2.7
259.10306	0.9
260.08765	13.4
261.09018	1.0
270.07138	5.2
281.08844	3.6
284.86417	0.9
286.13968	4.7
286.17310	1.3
288.08157	7.2
293.08624	1.3
294.07306	1.2
299.09879	3.1
300.08667	1.5
304.18973	1.2
309.08502	1.0
310.14212	1.9
312.08304	1.0
317.10992	1.2
321.08286	3.4
322.06485	1.3
327.09378	3.1
327.16479	2.0
330.09299	1.2
337.15039	1.7
338.13501	2.1
339.09302	2.6
342.13821	1.0
345.10361	4.1
345.17865	1.4
351.09299	2.8
354.99078	1.2
355.16122	9.3
356.14590	4.0
357.10342	3.0
365.15109	1.0
368.12286	1.4
369.10413	1.8
373.16974	4.5
378.10422	3.3
386.13129	2.3
387.11371	1.4
396.11551	7.5
397.10184	1.0
401.16605	3.2
404.14197	1.5
412.18341	1.4
413.16553	3.2
414.12482	14.7
430.19342	1.5
432.13562	14.8
433.13641	1.1
442.19244	2.6
443.17841	1.0
452.17361	1.4
453.15964	2.9
464.17770	3.3
470.18716	2.1
481.20612	4.2
482.18848	4.1
491.18793	1.5
492.17047	2.3
499.21603	8.9
500.20325	3.2
509.19745	10.4
510.18753	2.3
517.22559	8.1
527.20984	23.8
528.20898	1.6
545.22046	12.8
546.22052	1.5
593.67847	1.0
612.26184	1.4
630.26318	1.5
648.30963	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48214	0.2
53.03941	0.3
54.24850	0.1
55.01864	0.2
55.05501	0.7
56.05029	1.3
57.03436	0.5
57.05820	0.8
58.06597	0.2
67.05502	0.7
69.03424	0.9
69.07054	0.9
70.06587	3.7
71.05005	0.2
72.08151	100.0
73.02930	0.2
73.08486	1.7
79.05497	0.7
79.71332	0.2
81.03417	1.1
81.07055	1.3
82.06618	0.2
83.04958	0.3
83.08617	0.7
84.08130	1.3
85.02901	2.0
86.09703	0.8
91.05486	0.4
93.07065	1.0
95.04998	0.2
95.08601	1.2
96.08158	0.3
97.02893	1.1
97.06535	0.7
97.10180	0.2
99.04454	1.6
103.03957	1.2
105.07034	0.3
107.08602	0.6
108.08122	0.2
109.02839	0.9
109.10155	0.2
110.09705	0.2
110.27397	0.2
111.08079	0.4
114.09147	0.3
115.03863	0.2
119.08572	0.3
120.08100	0.4
121.10142	0.4
122.09674	0.2
124.11214	1.9
127.03896	2.3
129.10217	0.3
133.10072	0.2
135.04387	0.2
145.04950	0.5
145.10251	0.2
149.13289	0.5
159.09166	0.4
159.11682	0.2
161.13347	0.2
161.27826	0.2
163.03966	0.2
187.06056	0.3
202.13057	0.2
202.95268	0.2
229.46271	0.2
274.72449	0.2
306.27960	0.7
324.28915	2.2
325.29257	0.2
342.29947	2.8
343.30374	0.3
586.39697	0.3
630.38678	0.5
632.44769	0.2
648.39490	46.8
649.39905	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	648.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05034	1.1
57.03427	1.0
57.05819	0.8
67.05487	1.1
69.03428	1.5
69.07076	0.8
70.06590	5.6
71.30131	0.6
71.30492	0.4
72.08156	100.0
73.08495	1.3
79.05502	1.2
81.03428	1.5
81.07051	2.1
84.08131	1.1
85.02883	2.5
86.09715	1.4
87.04478	0.6
91.05488	0.7
93.07069	1.4
95.08619	1.0
96.08157	0.4
97.02916	1.1
98.09698	0.6
99.04469	1.8
103.03956	1.9
105.07022	0.7
107.08585	0.9
109.02909	1.5
109.10167	1.1
120.08149	0.8
121.10173	0.7
124.11250	2.0
127.03927	3.4
129.10315	0.7
133.10123	0.7
146.15019	0.5
149.13239	0.6
153.90718	0.5
277.41296	0.4
306.27997	0.8
324.29031	2.4
342.29962	3.7
558.87213	0.5
586.38586	0.5
630.37988	1.0
648.39508	54.0
649.39868	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	650.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
53.45595	0.3
55.01880	0.7
55.05514	5.2
56.05023	0.7
57.03434	2.9
57.07085	0.8
58.06602	4.0
59.05007	0.4
61.02938	0.9
61.04216	0.4
65.40167	0.3
67.05507	4.0
69.03426	5.4
69.03936	2.9
69.07072	4.2
70.06595	3.7
71.04996	1.8
72.08157	24.5
73.02925	1.1
73.08514	0.4
79.05501	3.7
81.03416	5.6
81.03858	0.4
81.07056	14.4
82.03785	0.4
83.04994	1.6
83.08617	4.6
84.04543	0.5
84.08139	3.5
84.08949	0.5
84.18220	0.4
85.02906	15.8
85.06531	0.8
85.08919	2.0
86.09687	2.3
86.26888	0.3
87.04488	0.4
91.01153	0.4
91.05489	0.8
93.07040	3.9
95.04980	0.8
95.08605	9.8
97.02891	5.6
97.06561	1.3
97.10185	1.0
98.09692	2.1
99.04454	9.2
103.03934	7.0
105.07062	0.8
107.08599	2.4
109.02868	5.7
109.10178	1.3
109.79563	0.4
110.07204	0.4
111.08087	0.9
114.22733	0.4
119.08601	0.4
120.08117	1.0
121.10154	2.0
123.08107	0.5
123.11676	0.5
124.11236	0.8
126.12890	0.5
127.03916	16.4
133.10162	0.7
135.11743	0.6
145.04953	3.8
147.11639	0.5
149.13264	3.3
149.51332	0.4
163.06100	0.5
167.14420	0.9
172.24065	0.3
187.06119	1.4
192.10228	0.6
196.17062	0.8
226.21547	0.4
227.08955	0.4
238.10837	1.3
263.23792	1.7
271.08139	0.5
281.24936	0.4
308.29468	18.6
309.29904	1.6
326.30533	18.2
327.31046	1.4
344.31601	13.8
345.32071	1.0
386.32864	0.5
488.35699	0.5
570.39825	3.3
572.37988	2.3
588.41125	1.1
632.40009	12.9
633.40558	1.6
650.41095	100.0
651.41431	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	650.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.9
55.01870	9.0
55.05510	24.9
56.36433	6.4
64.70230	7.8
67.05511	50.9
69.07061	22.6
71.29704	6.9
79.05497	55.1
80.66946	9.3
81.03448	7.3
81.07056	76.3
83.04994	13.8
83.08619	15.9
85.06516	13.7
91.05486	82.4
93.07037	77.3
95.04973	94.6
95.08595	44.6
97.06550	18.1
103.05453	7.2
105.07032	100.0
107.08601	61.6
109.06519	44.2
109.10147	39.3
111.08083	26.9
117.07018	28.2
119.08578	82.8
121.06492	19.9
121.10152	64.1
123.08049	17.1
123.11673	10.9
125.09620	19.1
128.06203	21.2
129.07018	19.1
131.08578	43.4
133.06581	7.8
133.10114	41.0
135.08046	66.8
135.11685	13.6
142.07759	25.6
143.08556	47.6
144.09355	14.1
145.06509	9.7
145.10133	87.9
147.08041	18.6
147.11690	33.3
149.09619	22.4
155.08545	19.1
156.09346	22.2
157.10167	57.6
158.10844	10.1
159.08080	24.4
159.11647	43.6
161.09593	18.5
163.11194	10.1
166.07730	9.7
167.08521	16.4
167.10645	48.8
169.10117	34.4
170.10832	9.9
171.11716	24.9
173.09639	15.2
173.13177	18.3
175.11230	19.2
177.12738	12.1
179.08574	17.7
180.09369	11.7
181.10095	21.8
181.12209	10.4
182.10902	12.6
183.11653	28.9
185.13239	27.1
187.11180	14.2
192.09303	10.4
193.10135	16.9
195.11652	26.7
197.13258	27.6
198.14021	7.8
199.14824	11.8
203.14384	10.3
206.10828	17.2
207.11713	29.5
208.12509	12.6
209.13239	34.8
213.12799	11.9
215.99097	7.8
218.16597	11.7
218.59381	8.8
219.11722	16.4
220.12454	14.5
221.13225	19.6
223.13171	63.8
225.12680	9.8
233.13234	20.7
233.15393	32.6
235.14798	13.8
237.16412	16.0
247.14845	12.7
249.16325	14.0
263.18045	13.9
269.19086	10.8
299.20297	9.4
332.21469	9.0
373.25162	19.7
391.26196	23.6
446.18945	20.7
606.26129	31.5
607.25500	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	650.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
53.03946	7.4
55.05510	26.1
57.07056	4.3
65.03939	5.6
67.05505	29.8
69.03414	12.8
69.07065	20.3
69.29912	23.6
71.05000	6.2
79.05494	43.7
81.03423	4.2
81.07057	56.4
83.04984	20.8
83.08583	15.2
85.06519	6.4
91.05477	62.5
93.07043	82.5
94.07373	3.4
95.04967	82.9
95.05555	5.8
95.08611	39.3
97.06516	11.3
103.05466	7.3
104.66563	3.2
105.07021	100.0
107.04951	8.1
107.08594	54.8
109.06504	36.9
109.10146	22.6
110.61265	3.2
111.08106	8.2
115.05431	6.7
117.07011	27.4
119.08577	69.9
121.06495	22.1
121.10132	56.9
123.08086	19.0
123.11702	7.4
125.08839	3.1
125.09593	16.7
128.06204	14.6
129.07001	22.4
130.07790	10.1
131.08559	42.2
133.06442	8.0
133.10138	34.1
135.08041	13.1
135.11742	7.7
139.07527	3.7
139.11160	7.2
141.06987	13.3
142.07794	28.6
143.08563	51.0
144.09312	13.8
145.06454	4.8
145.10123	60.4
147.08029	17.4
147.11674	21.2
149.09561	24.0
151.07526	4.2
153.06969	5.7
154.07791	7.4
155.08591	16.9
156.09380	18.6
157.10127	53.6
158.10831	5.9
159.08044	22.6
159.11691	34.0
160.08757	6.4
161.09625	16.1
161.13210	4.5
163.11150	9.6
164.37407	4.6
165.06963	7.7
166.07768	7.1
167.08556	14.8
167.10674	58.6
168.09309	4.8
169.10139	42.2
170.10880	10.3
171.08083	4.6
171.11691	29.8
173.09587	19.5
173.13217	24.7
175.11165	12.8
178.07736	4.7
179.08542	14.7
180.09367	10.8
181.10104	26.8
181.11699	4.6
182.10954	7.9
183.11656	21.6
184.12241	4.1
185.09599	6.9
185.13235	18.3
187.11185	11.1
187.14751	4.6
188.11751	4.0
189.12773	4.7
191.08707	3.6
191.10567	4.2
191.14331	5.1
192.09319	7.9
193.10135	23.9
194.10866	13.4
195.11685	29.9
196.12416	9.3
197.13287	21.0
198.13901	7.3
199.11176	8.5
199.14819	12.6
203.08595	5.2
203.14410	6.5
205.10139	5.4
206.10912	8.6
207.11688	26.6
208.12431	12.5
209.13234	29.3
210.13841	6.5
211.11104	6.4
211.14780	16.1
213.12732	10.5
213.16402	5.4
215.14355	5.2
217.15953	6.1
218.10947	5.4
218.16664	12.1
218.24811	3.2
219.11668	11.6
220.12463	10.9
221.13312	22.9
221.15208	6.3
222.13977	7.9
223.14809	16.1
225.12650	6.2
225.16330	6.3
227.14313	5.6
231.11638	8.4
232.14447	3.3
233.13217	15.7
233.15108	15.8
235.14754	13.6
235.16911	3.4
236.15714	3.7
237.12704	3.5
237.16403	9.4
243.11708	4.0
245.13185	9.7
246.13907	3.8
247.14828	9.9
249.16377	14.7
251.14285	6.8
251.17928	10.4
253.16051	4.2
255.17421	4.7
258.13965	4.3
261.16266	9.3
263.17914	11.2
264.18555	4.1
265.15756	4.2
265.19476	10.2
267.17441	7.6
269.13220	4.3
269.18936	7.6
271.14828	3.9
275.17944	6.4
277.19559	8.7
281.19000	8.5
282.19846	3.5
285.18488	9.7
286.19403	6.4
289.19565	7.0
290.20227	4.4
293.19064	3.8
299.20313	5.4
315.20776	4.0
328.20071	3.2
355.24353	4.3
373.25235	30.3
376.35712	3.7
385.94485	3.8
391.26288	43.6
392.26727	5.4
408.26642	4.7
470.83429	3.6
616.14056	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	651.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04568	14.5
55.97704	14.8
65.02558	14.9
66.84895	16.0
69.31013	100.0
90.11450	15.7
94.78681	15.6
120.00650	18.1
138.89856	15.0
139.72412	18.4
148.14639	17.5
172.76263	15.8
505.52292	20.1
553.38422	20.1
553.82355	16.9
609.34906	19.7
651.43091	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01878	4.5
55.05514	13.5
64.60117	3.3
67.05510	26.7
69.00715	25.4
69.03422	6.8
69.07069	14.3
71.04968	5.3
72.93276	2.9
79.05494	30.7
81.03413	28.1
81.07050	72.0
83.04982	6.2
83.08630	12.8
85.02927	3.5
89.87983	3.8
91.05463	19.0
93.07046	23.1
95.04991	12.9
95.08606	20.9
97.06541	7.2
104.75682	3.1
105.07032	27.3
106.07334	3.5
106.20554	3.0
107.04968	9.0
107.08606	12.6
109.02901	14.7
109.06516	28.1
109.10152	7.0
117.06998	9.0
119.08572	20.6
121.06538	4.5
121.10172	12.2
122.69817	3.1
123.08065	8.2
123.11713	6.7
127.03916	16.4
131.08559	11.3
133.06442	3.9
133.10143	17.9
135.08070	9.0
135.11688	4.8
136.77574	3.5
137.09639	4.7
145.10138	14.0
147.11665	17.4
149.09665	10.0
149.13281	7.0
159.11714	8.1
163.03932	10.4
163.11220	6.3
165.12740	6.4
175.11308	5.9
247.20456	4.4
248.73021	3.2
257.18948	4.4
275.20059	100.0
275.22998	6.0
276.20273	5.6
280.79617	3.3
293.21140	33.7
332.13397	3.8
338.61954	4.0
346.06546	3.7
358.97278	3.3
383.22116	5.8
387.46542	3.5
401.22961	7.6
419.24304	26.3
437.25357	12.1
608.26062	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	653.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
69.10320	7.6
120.08121	2.3
142.63040	1.0
144.07944	0.9
146.05977	1.0
195.09261	1.0
216.24803	1.0
223.53065	0.9
313.11783	1.1
389.17374	2.1
403.19083	1.9
432.19363	1.0
461.19733	2.8
471.17978	3.1
489.19089	2.4
497.19550	1.6
505.21857	2.7
514.20306	1.3
515.20587	2.0
519.24316	1.1
533.21790	2.0
547.23474	8.8
548.23834	1.1
557.21826	5.9
558.22528	1.6
561.21051	1.7
575.23022	10.4
585.81250	1.3
603.22461	2.9
635.24994	100.0
636.25281	18.8
653.25739	4.4
654.26422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.03947	1.5
55.05508	3.0
57.07073	4.3
66.36591	1.0
69.51745	6.2
71.04975	1.2
83.04981	19.2
91.05508	2.0
98.98463	1.5
105.07052	1.5
107.07267	1.1
111.27453	1.0
128.06244	1.7
128.98192	1.0
129.07013	1.8
147.08025	2.4
147.11679	3.3
175.01561	10.3
181.02615	15.5
187.75067	1.0
216.78745	1.1
221.10760	1.4
223.12257	1.8
224.13155	1.4
225.13980	1.9
227.04739	5.5
236.13159	2.5
237.13774	5.9
238.14630	5.7
239.15239	2.1
246.11487	1.2
247.12570	1.4
249.13849	3.0
251.15460	5.5
252.16106	2.0
253.17046	3.4
257.05716	1.3
261.13889	6.8
262.14505	3.1
273.93915	1.4
273.96692	1.2
278.13638	1.3
279.14893	2.5
289.17145	1.5
313.11975	8.5
339.79626	1.1
350.16174	1.8
352.17563	1.2
356.20364	1.2
363.16107	1.1
365.18060	1.8
366.19183	2.3
367.19290	2.9
368.20065	1.4
369.18341	4.1
372.06888	1.4
375.16513	1.4
377.17606	4.7
378.18393	1.3
379.19354	2.6
381.21027	2.0
382.21591	1.2
389.17950	1.3
391.19193	2.6
392.20267	1.2
393.16547	2.1
393.20840	3.1
394.17902	1.7
395.18573	3.9
396.18793	1.8
405.16827	2.5
406.17606	2.0
407.18549	2.7
408.15735	1.5
409.20230	2.4
412.19479	1.2
419.19058	1.5
420.19699	2.8
421.20163	3.5
422.21463	1.4
423.17853	1.4
425.20145	1.3
427.21851	1.2
435.18085	3.1
437.19788	3.1
438.20639	2.2
448.18793	2.5
449.19485	4.4
450.20767	1.7
452.23056	1.4
453.22760	1.3
465.19003	7.6
467.20639	2.3
469.26450	2.1
479.24365	3.8
480.21442	2.5
481.22656	2.3
482.22659	2.5
483.19473	1.5
497.25610	6.4
507.23535	4.0
508.21622	4.2
509.22009	2.9
510.22006	3.3
512.25049	2.0
514.25476	5.5
520.20605	1.5
521.21991	2.1
525.25037	7.3
526.25549	1.7
529.28320	6.1
535.23419	2.7
539.31903	1.2
542.25415	3.5
543.18878	9.2
549.31085	2.0
553.24658	5.9
557.27454	3.4
563.22711	2.6
565.28119	1.4
567.26288	6.4
570.25653	1.8
581.23761	5.9
585.27020	22.8
586.26904	1.9
595.25525	97.6
596.25732	14.1
597.34576	3.4
599.25342	17.2
600.25684	1.9
613.26563	100.0
614.26794	13.2
655.28748	9.6
655.39264	42.0
656.28644	1.3
656.38855	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	655.2762
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
53.03934	0.6
55.05507	2.9
57.07073	3.8
62.57779	0.6
67.05468	1.0
67.25139	0.7
71.04990	0.8
71.11626	0.6
81.07050	0.9
83.04984	14.3
91.05485	1.7
98.98479	0.8
100.14587	0.6
105.07018	0.7
110.00413	0.6
111.13975	0.6
115.05480	0.6
117.07032	0.6
122.09606	0.8
128.06207	1.9
128.68562	0.6
129.06987	2.7
141.06859	0.5
147.08067	1.0
147.11699	2.5
157.07578	0.6
175.01553	7.3
181.02626	10.2
187.01662	0.6
199.03627	0.7
203.54855	0.6
205.86523	0.6
209.10808	0.6
211.12288	0.9
221.10814	0.9
222.11543	1.2
223.12273	1.7
224.13036	1.1
225.13736	1.1
227.04680	4.9
234.11551	0.7
235.12328	1.4
237.13815	2.1
238.14673	1.2
239.15335	1.0
246.11540	0.9
249.10114	0.9
249.13832	1.1
250.10840	0.7
251.15395	1.2
257.05713	1.2
261.13818	1.2
276.14938	0.8
283.10904	1.1
313.11996	7.4
314.12781	0.5
362.15909	0.9
363.16153	1.1
364.17511	0.7
369.18207	2.6
376.17505	1.2
377.17572	2.4
379.19418	0.7
388.17596	0.7
389.17953	1.0
390.19583	0.9
391.19290	2.0
392.20065	1.7
393.20782	1.2
403.19397	1.0
404.20172	0.8
405.16876	2.6
405.21408	1.3
406.17422	1.1
407.22763	2.9
417.20987	1.2
419.18631	2.4
420.19775	1.4
421.20047	1.5
429.17249	0.8
433.20233	2.5
434.20929	2.3
435.21924	1.8
437.19565	2.5
438.20898	0.6
447.22064	1.1
448.18750	1.1
449.19781	2.2
451.21198	1.7
452.22391	1.4
461.19806	1.9
462.20395	2.0
463.21121	3.6
463.26886	1.5
464.18201	1.4
465.23575	3.4
466.23340	1.0
467.20526	0.9
475.21103	2.1
476.21741	2.3
477.18967	1.9
479.20706	1.1
480.21375	1.5
482.23508	1.1
487.21671	1.0
489.18906	1.0
490.19678	0.9
493.22574	8.9
494.22864	3.3
501.22690	2.7
503.20840	1.7
505.21671	0.8
506.19931	0.8
510.22501	6.1
521.22034	5.6
525.25122	4.2
533.25366	1.7
535.23016	2.2
536.23645	1.2
543.19159	7.3
545.21606	1.2
547.23376	3.8
549.21655	0.9
550.24738	1.1
551.26318	2.4
553.24548	7.7
554.25024	1.2
561.24585	1.0
563.22638	1.4
565.28119	10.5
566.28046	1.2
577.24139	0.7
579.25806	2.1
581.23895	17.7
582.24115	2.3
583.28680	1.6
585.26508	1.6
594.25580	2.1
595.25513	3.6
597.35321	2.8
599.25287	14.0
600.25671	1.2
606.24115	1.0
609.27118	4.7
611.28271	1.3
613.26489	3.7
623.24982	4.2
624.24402	1.0
637.26276	4.5
637.37823	1.2
655.27344	100.0
655.38141	19.9
656.17737	1.0
656.28088	14.8
656.38593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2758
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
63.92775	0.8
67.05495	1.6
71.70229	0.9
72.08176	2.3
74.53440	0.8
79.05493	2.0
81.07065	2.0
91.05444	1.2
108.08150	0.8
119.08620	0.8
120.04543	1.0
120.08169	0.9
131.56358	0.8
160.03958	1.8
182.09702	1.0
185.97006	0.9
221.10800	1.4
223.12416	1.4
227.11697	1.4
247.12506	1.2
251.11951	1.7
274.13257	1.4
286.13370	1.2
293.12836	3.5
296.11905	1.0
300.11536	1.2
300.14944	2.4
301.15359	1.1
302.16650	2.9
311.13885	1.5
326.12909	1.3
328.14551	2.3
377.17877	1.5
383.12854	1.5
391.19070	1.5
398.15088	1.2
401.17731	1.6
402.18021	1.3
403.19513	1.2
404.19534	1.1
407.22787	1.2
413.17639	1.5
415.19684	1.7
419.18567	1.2
421.20459	1.6
426.14630	1.9
429.21112	1.4
433.16156	1.7
434.18109	1.3
435.22202	1.5
444.18976	1.2
447.17896	3.6
449.19458	2.7
450.20010	1.3
458.16946	2.4
461.15421	1.2
462.20261	1.4
475.16800	2.0
475.22379	1.2
477.18713	5.0
481.25345	1.9
489.18808	4.4
490.18762	1.7
491.20886	3.3
493.18564	1.6
499.21371	1.5
501.23029	1.4
505.22424	1.8
508.25043	1.7
517.22180	1.1
535.23138	4.3
536.24713	1.5
537.24878	3.3
549.24463	3.3
559.23376	13.4
560.23505	2.6
561.24377	3.7
562.24084	1.3
563.22852	8.1
564.23389	3.8
577.24530	16.2
578.24298	3.9
579.25983	2.3
591.25519	1.2
595.25336	1.8
605.23950	42.5
606.24115	5.7
608.22754	1.4
619.25250	4.3
623.24963	4.7
637.26526	100.0
638.26855	14.3
655.27368	9.8
655.39331	12.3
656.28314	1.4
656.39966	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	655.2761
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
59.82780	0.6
67.05519	0.8
68.42973	0.6
69.69095	0.6
70.06586	0.7
71.31174	0.8
79.05460	0.9
104.10751	2.4
117.07102	0.8
188.03455	0.8
208.10152	0.7
209.10812	0.9
221.10802	1.2
225.45732	0.7
227.11816	1.4
233.10805	1.3
235.12332	1.0
239.11879	0.8
251.11938	1.2
257.10629	1.1
274.13437	0.8
287.14325	1.0
288.15182	1.0
300.14926	1.5
302.16522	1.4
312.11407	0.8
313.12878	0.9
314.13092	1.2
324.14972	1.2
328.14423	1.5
349.69028	0.7
356.13754	0.9
377.17804	1.0
383.12354	1.1
387.16080	1.3
388.16949	1.2
389.17731	1.8
390.18759	1.3
391.19461	0.8
393.16690	0.9
396.17282	0.9
398.14957	2.6
401.17780	1.7
402.18286	2.1
403.19122	2.8
404.19916	2.1
405.21307	0.9
415.19232	2.8
416.19965	3.0
417.20935	4.2
418.21542	2.2
419.18567	1.3
426.14359	1.3
429.21136	2.0
430.21530	3.2
431.22485	2.8
433.16330	1.5
434.17157	1.1
435.21893	1.4
443.18347	1.7
444.19168	1.7
445.20294	1.0
446.20770	1.0
447.17645	1.6
447.22632	1.3
448.18408	1.5
449.19888	1.1
458.16696	1.3
459.21774	2.1
460.22180	0.8
462.20422	1.2
463.21460	2.2
473.23853	1.7
474.20438	1.1
477.18463	1.6
477.23785	1.3
487.21295	3.4
488.22061	2.8
489.18802	5.6
490.19995	1.5
491.20432	7.3
493.18390	1.7
499.21210	1.0
501.23120	6.8
502.23456	1.5
503.20596	1.6
505.22610	2.6
507.20084	1.8
517.22241	2.7
520.25220	1.0
521.22412	1.1
529.21307	0.8
531.24121	1.6
533.25763	2.4
535.23431	4.1
536.24298	0.9
537.24896	3.1
549.23895	2.3
559.23358	9.2
560.23828	1.4
561.24847	10.9
562.23560	1.3
563.22729	9.5
564.23596	9.5
565.24023	1.1
577.24347	13.3
578.24829	3.2
579.25995	1.2
591.25842	2.3
593.27704	3.1
595.24994	1.1
605.23956	16.0
606.24640	2.9
619.25488	30.7
620.25800	5.3
623.24963	1.6
637.26544	100.0
638.26685	16.1
655.27979	7.4
655.39673	2.7
656.28967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
55.86559	0.6
57.07066	3.1
57.83913	0.6
71.30600	0.7
71.30991	0.8
81.07077	1.1
83.04980	11.6
91.05511	1.4
95.08652	0.9
98.98463	1.2
105.07019	1.1
129.06973	1.6
142.09914	0.6
147.07903	0.7
147.11676	1.4
149.03105	0.6
153.11078	0.6
168.08127	0.8
175.01569	5.8
181.02596	8.3
182.09663	1.6
193.07544	1.0
194.08266	0.9
195.09079	1.6
197.10724	1.3
198.51651	0.6
207.09099	5.2
208.09856	2.5
209.10616	4.3
210.11473	2.1
211.12215	1.3
213.06612	1.1
215.53180	0.7
219.09177	1.1
221.10648	7.6
222.11467	7.5
223.12299	3.6
224.13014	3.8
225.13913	6.3
226.14583	2.2
226.17102	0.6
227.04709	2.7
227.08209	1.2
231.09209	3.0
232.09937	31.1
233.10463	3.4
234.11552	1.7
235.08643	6.2
235.12286	2.1
236.09413	1.9
236.13083	1.7
237.10088	1.8
237.13863	7.9
238.12328	0.9
238.14589	1.8
239.11874	1.4
239.15424	5.4
241.06084	1.8
241.17099	1.2
246.11531	1.2
247.12297	39.5
248.12859	3.1
249.10226	2.8
249.13876	4.2
250.11028	3.4
251.11703	1.5
253.09531	0.9
253.13387	3.8
255.07680	1.3
257.05786	2.0
263.11850	2.8
264.12320	1.1
265.09933	1.4
265.13373	7.0
266.13739	1.1
267.14932	17.4
268.12070	1.7
268.15182	1.3
270.10025	1.4
270.13623	3.4
275.11868	4.2
279.11591	0.9
281.12750	2.9
283.07288	0.9
283.11459	0.9
283.14444	2.9
285.15979	2.6
287.10312	1.7
293.12833	100.0
294.13199	7.0
296.11554	1.4
311.13870	57.7
312.14264	4.7
313.08337	1.3
313.11984	5.1
329.11353	2.6
355.09302	1.9
357.10690	1.8
369.18329	2.1
383.08713	0.9
430.21436	1.0
447.17963	0.8
451.16608	0.7
463.21057	1.0
521.92670	0.7
539.31171	1.0
543.18970	4.4
549.30634	1.1
553.24054	2.3
567.26282	1.2
568.22693	1.6
577.23566	1.2
581.24048	5.0
582.24243	0.8
585.27069	8.1
586.27234	1.1
591.21973	1.4
595.25159	3.6
597.35272	3.3
599.25177	8.6
600.26056	1.0
605.23651	3.1
609.26532	0.8
610.26324	0.7
611.28705	5.1
613.26483	11.7
614.26978	1.4
619.25110	0.9
623.25061	10.4
624.25238	1.8
627.28125	6.2
628.28009	1.7
637.26544	5.3
655.27832	20.4
655.37927	31.9
656.27863	3.5
656.37915	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	655.2764
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
50.77679	1.2
53.03954	1.2
55.05516	4.8
57.07085	5.7
69.20134	6.5
80.05042	1.2
81.07054	1.1
83.04984	21.0
88.98608	0.9
91.05510	2.4
93.07024	1.3
95.04987	1.3
98.98505	1.2
107.07373	1.4
107.08607	1.0
108.08173	1.0
118.06548	1.4
120.08134	3.0
122.09682	2.2
125.51017	1.0
128.06255	1.5
129.07001	3.4
130.06541	0.9
135.10400	1.2
144.08099	1.0
146.06012	1.5
146.09668	2.2
147.08076	1.3
147.11684	1.6
152.38913	0.9
157.07651	1.9
158.09628	1.1
161.53186	1.1
164.07158	1.3
165.02505	1.1
172.04054	1.1
173.10876	1.7
174.09024	1.0
175.01584	9.5
181.02621	16.4
182.08363	1.1
195.09222	2.8
196.09871	2.5
197.10779	2.7
198.11494	1.2
207.09262	1.9
209.10645	7.4
210.11497	14.8
210.13101	1.2
211.12309	6.2
211.50270	1.0
212.12981	1.4
213.06680	1.5
220.09984	1.4
221.10822	3.4
222.11604	1.5
223.12311	11.0
224.12984	12.1
225.06625	1.4
225.13876	61.6
226.14577	15.2
227.04593	6.2
227.08189	1.2
227.15385	1.4
232.09978	1.5
234.11592	1.6
235.12320	5.2
237.13943	4.4
238.14566	2.0
239.11806	4.7
239.15440	11.9
240.12645	1.5
240.16154	3.5
241.06212	1.6
241.16943	5.3
247.12392	1.9
249.13963	8.2
251.11832	2.3
251.15402	1.3
252.12784	1.5
253.13396	3.8
255.07899	1.4
255.14972	4.3
257.05768	1.5
261.13885	1.0
263.15384	1.1
265.13260	4.6
267.14923	35.0
268.15366	2.6
269.12903	6.2
270.13589	7.6
275.15622	1.1
276.15723	1.1
277.13458	1.9
280.12061	1.4
281.13022	1.6
283.10870	3.2
285.08865	1.6
285.16046	4.7
290.16455	2.4
291.14691	1.2
292.14706	1.7
293.12912	5.7
293.16144	2.1
296.15521	1.3
303.14270	1.6
313.08527	1.5
313.12006	9.5
318.16171	2.0
321.15945	6.6
330.16083	1.4
330.43881	1.3
339.17218	4.6
369.18439	4.3
395.18628	1.8
404.16019	1.5
409.20233	1.5
436.18689	1.6
437.19858	2.1
438.20612	1.7
449.20026	2.1
451.17490	2.4
465.19302	3.1
466.20203	4.4
493.18930	1.9
497.21744	1.6
509.22159	1.8
525.24493	1.4
543.19165	9.0
552.23688	2.0
553.24310	3.1
567.26660	1.8
577.24658	1.8
580.23267	2.7
584.26605	1.7
585.26807	1.7
595.25763	4.2
597.35675	1.8
599.25256	12.8
612.25769	14.2
613.26703	9.8
614.27112	1.5
623.24982	16.0
624.25769	1.8
627.28406	3.1
637.26782	9.2
655.27667	100.0
655.38721	9.4
656.28027	15.6
656.38672	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78725	0.6
62.93756	0.8
63.19110	0.7
69.10240	5.6
69.25021	0.5
101.01121	0.5
161.26437	0.7
229.34885	0.8
293.12744	1.5
308.21887	0.8
311.13779	0.9
371.95657	0.6
375.29645	2.6
377.17706	0.7
391.19031	1.7
404.16321	0.7
405.16922	2.1
405.21295	0.9
406.21625	0.9
407.22391	4.8
408.22742	1.3
419.18164	3.9
420.18942	2.2
421.20050	1.3
421.29990	1.8
433.20520	7.4
434.20981	6.6
435.21829	11.4
436.22055	1.7
446.33566	0.7
447.17606	2.4
447.22168	1.8
448.17722	1.0
448.23105	1.0
449.19470	2.3
461.18982	1.6
462.20178	6.4
463.21072	5.4
464.21304	0.7
475.21201	2.5
476.21902	1.6
477.22562	1.7
479.20282	1.3
489.22513	1.4
493.22153	2.0
495.23495	1.7
507.19373	1.2
507.24652	0.8
508.24249	2.2
508.33191	1.7
509.25211	2.8
521.25653	15.1
522.25476	2.7
535.26923	1.1
549.24933	24.9
550.25317	3.2
553.23712	1.3
563.26471	3.1
577.23999	1.4
581.27600	4.1
595.29309	11.4
596.28436	2.2
609.27069	13.7
610.26886	2.2
623.26538	1.8
655.30530	100.0
656.30884	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
54.95314	0.6
55.05512	19.6
56.24529	0.6
57.07079	23.5
58.07416	0.7
64.89249	0.6
65.03946	1.5
69.51068	0.5
70.50733	1.1
71.04993	5.4
77.03934	0.9
83.04983	100.0
84.05300	1.6
91.05484	7.7
95.04965	2.9
98.98474	6.8
101.06056	1.1
105.07036	2.7
115.05452	1.5
117.07061	1.0
118.09681	0.6
119.08607	1.5
128.06216	6.3
129.07010	13.1
132.09346	0.8
133.10123	1.1
141.07004	3.3
145.06491	1.6
147.08072	8.5
147.11684	14.7
148.08376	0.7
151.01517	3.4
155.06075	0.9
157.07646	3.9
159.08022	1.4
161.13239	1.0
169.07661	1.0
175.01563	53.4
176.01935	1.2
181.02605	84.1
182.02975	0.8
185.13399	0.7
187.01591	2.3
199.03694	3.3
222.05319	0.9
224.94510	0.7
227.04680	30.1
228.05023	1.2
231.07867	2.8
233.51509	0.6
239.04720	4.7
257.05743	8.6
275.06824	1.3
283.10898	9.1
284.11264	0.7
313.11972	46.6
314.12457	3.5
321.22763	0.9
331.13129	2.1
339.17233	1.1
369.18274	22.0
370.18723	1.9
387.19229	0.9
431.06696	1.0
449.14935	0.9
487.12909	5.5
543.19055	43.0
544.19281	3.7
599.25311	83.9
600.25616	10.8
655.31598	59.9
656.32019	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	655.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
53.25792	0.5
55.05516	4.4
56.05033	1.3
57.03437	3.0
57.07066	1.8
61.02931	12.5
67.05508	19.6
68.05854	0.7
69.03434	2.1
69.07076	8.5
70.06595	11.2
71.04991	2.2
71.08643	1.0
71.29988	0.9
72.04520	4.9
72.08174	3.9
73.02917	4.0
73.34018	0.6
79.05497	15.4
81.03416	2.6
81.07057	35.2
82.06577	0.9
82.07378	0.7
83.04981	2.2
83.08618	8.2
84.04491	1.5
84.08137	1.7
84.37747	0.6
85.02912	14.1
85.06546	1.7
86.09705	6.2
87.57598	0.7
91.03954	8.9
91.05479	9.6
93.07048	29.1
94.07379	1.0
95.04966	1.8
95.08611	7.3
97.02896	6.4
97.06519	4.3
99.04460	1.2
99.08123	0.8
102.05537	2.9
103.03942	0.7
105.07043	3.8
107.04948	0.9
107.08595	18.8
108.08155	0.8
108.08907	1.0
109.02878	1.8
109.06474	0.8
109.10164	2.1
110.06058	0.7
111.08084	3.1
117.07011	4.6
119.08614	1.9
120.08105	4.1
121.06532	1.1
121.10145	7.5
123.08167	0.6
123.11710	8.9
124.07540	0.7
127.03915	4.4
128.10709	1.1
129.10237	1.1
131.08577	5.7
133.10143	10.3
135.08020	1.4
135.11725	6.1
136.07613	0.9
138.09096	0.7
139.07442	0.8
145.04936	4.6
145.10147	1.1
149.13264	25.4
150.13602	0.7
151.11183	1.4
158.09656	0.8
159.11702	14.4
163.03928	1.1
163.06044	7.5
166.08655	0.8
167.14301	1.7
169.10124	0.6
176.14328	1.2
177.05484	0.7
177.12729	7.2
183.14902	1.8
186.12791	2.0
187.11148	1.3
194.15347	1.0
195.13808	24.7
196.14171	1.3
204.13820	4.3
211.14484	1.4
213.14862	2.0
215.17859	0.7
222.14868	6.1
240.15939	34.0
241.16350	1.9
269.17422	8.2
296.18564	100.0
297.18884	7.1
314.19632	21.2
315.20081	1.7
324.23029	0.8
427.43488	0.7
429.27115	0.7
458.23734	4.5
476.25674	0.6
514.18890	0.8
581.30658	0.7
625.18408	0.6
655.27722	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	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.4
57.03442	5.4
57.07084	39.4
61.02925	5.7
67.05511	12.5
69.07054	6.4
71.08640	38.1
71.29808	3.2
73.02933	3.8
74.20357	2.5
76.80697	2.8
81.07055	20.9
83.08649	13.1
85.02907	9.2
85.10202	15.0
91.03951	7.4
95.08613	20.6
97.02885	4.1
97.10229	6.0
104.10795	4.0
105.71191	3.0
109.10170	10.1
123.11700	3.8
145.04982	5.1
221.22488	2.9
239.23730	25.4
313.27362	100.0
313.30991	5.5
314.27646	9.1
331.28268	13.0
503.29315	2.9
613.50354	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	655.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89314	0.6
55.05513	5.1
57.03199	0.7
57.03433	3.8
57.07078	45.1
58.07380	1.0
61.02927	13.5
61.39695	0.7
66.94420	0.8
67.05507	12.1
69.03422	1.2
69.07074	8.5
69.82365	2.6
71.08634	37.1
73.02917	5.5
75.04471	2.6
79.05485	1.1
81.07062	17.1
81.70004	0.7
83.08625	13.8
85.02428	1.3
85.02902	14.2
85.10186	20.9
91.03957	14.1
93.07036	0.9
95.08608	27.5
97.02908	6.6
97.10181	5.3
98.22690	0.8
99.11713	1.3
103.07577	1.2
109.10164	11.2
111.11729	1.8
123.11710	5.8
125.13273	1.6
127.03917	5.0
137.13249	2.8
139.14807	0.8
145.04951	5.1
145.40018	0.7
146.77754	0.7
151.14857	1.6
163.06020	9.4
165.16403	1.3
171.72755	0.7
221.22633	2.4
239.23706	33.7
240.24034	3.0
247.12178	0.9
257.24719	5.8
293.12848	2.0
311.13855	1.5
313.27365	100.0
314.27655	7.0
331.28409	14.8
331.32166	1.4
332.29147	1.0
403.93231	0.7
432.64664	0.7
552.82178	0.7
587.46570	0.7
619.25574	0.9
623.24414	0.7
637.25873	2.4
655.27307	2.9
655.38678	0.8
656.27838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82724	0.6
55.05509	1.6
56.11596	0.5
56.22344	0.5
57.07068	0.7
67.05508	2.5
69.07079	1.9
70.70042	0.9
74.64323	0.5
75.12187	0.5
80.12377	0.5
81.07058	2.9
83.08614	0.8
92.01788	0.5
93.07041	0.7
95.08601	2.7
100.07577	0.7
107.08603	0.8
109.10168	1.0
117.07721	0.6
119.08618	1.6
135.11780	0.6
150.54768	0.7
155.62624	0.6
202.94940	0.5
262.25516	0.7
274.38519	0.7
301.21429	0.9
319.22440	4.0
337.27600	1.2
347.93311	0.6
375.25107	4.2
655.49060	100.0
656.49414	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	656.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.0
67.05502	2.8
69.03429	12.0
69.07065	6.2
69.52533	3.2
69.52948	7.9
70.06580	1.9
71.05011	5.9
73.02918	4.3
77.47237	1.9
79.05524	2.8
81.03441	14.7
81.07063	8.1
85.02906	55.3
93.07066	7.0
95.08607	7.1
97.02888	37.0
98.22657	3.1
99.04449	52.2
103.03944	69.3
104.78939	2.1
105.07038	16.3
107.08601	4.7
109.02895	22.6
109.10169	4.4
112.27661	2.1
115.03984	2.2
119.08598	5.8
127.03913	100.0
128.04294	4.3
131.08571	4.0
133.10114	3.4
143.08563	10.4
145.04970	45.9
145.10153	7.5
147.11690	6.3
149.02338	3.2
157.10127	9.4
159.11746	10.8
161.13246	2.6
163.06033	35.7
171.11682	4.1
173.13232	4.0
185.13306	7.2
187.06078	4.1
189.12592	2.2
199.14790	5.4
201.16399	4.1
205.07080	3.0
205.12361	2.6
213.16374	16.6
231.13741	2.5
237.07547	2.2
241.19493	88.8
242.20018	5.4
243.21158	8.3
259.20578	8.3
269.19061	24.0
271.08130	8.1
287.20041	95.8
288.20465	7.4
289.08969	4.9
307.10297	7.7
315.19501	92.1
316.19815	8.2
333.20605	25.7
334.21054	3.0
366.08798	2.2
390.64362	2.2
403.24850	2.1
511.26453	3.5
539.26428	2.9
540.10852	2.8
557.27155	3.2
575.28467	2.5
585.26617	3.2
603.27466	4.6
621.28204	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	657.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67178	1.4
69.67521	4.8
80.10509	1.1
86.07973	1.2
93.07161	1.0
95.42059	1.1
127.79736	1.3
149.02376	7.5
192.03279	1.0
193.05002	6.9
194.05316	2.2
237.07629	4.8
238.08063	3.1
293.09241	2.2
333.20496	3.2
430.12408	1.8
477.24582	100.0
478.24948	10.8
535.23444	1.8
657.28766	95.0
658.29224	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47213	0.9
57.07068	1.1
65.04511	0.9
70.37517	2.3
70.37856	1.7
70.45767	1.0
79.05514	0.9
81.07047	2.8
95.08614	1.4
108.08167	1.1
123.11661	1.1
147.59627	0.9
196.74146	1.0
227.40947	1.0
232.23576	1.0
251.15628	1.3
407.18716	1.6
409.20273	1.7
421.20169	2.4
422.20932	3.2
423.21774	4.2
424.22253	1.5
435.22073	2.1
436.22861	1.3
437.23428	3.0
447.22229	1.6
449.18985	1.2
450.20779	1.7
451.21301	2.6
463.21387	3.7
465.23227	11.0
477.22675	1.5
493.22372	1.8
495.24338	1.3
507.27606	1.1
509.25372	2.8
523.27142	2.2
524.28009	2.7
535.27179	1.8
536.24658	1.4
537.25305	2.1
551.26709	1.4
552.27118	1.2
553.27991	2.3
555.23395	1.7
563.26147	1.7
580.26440	1.4
581.27814	2.8
583.29266	4.7
584.28070	1.2
597.25751	1.8
611.28473	3.9
612.29199	1.6
625.26807	1.2
639.27771	5.1
657.29132	100.0
657.38885	8.1
658.29529	18.3
658.40204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05515	1.3
57.03430	2.4
61.02927	1.7
65.02264	0.7
69.03423	11.0
69.07069	2.3
70.06602	3.4
71.05000	3.8
71.08633	22.9
72.08144	2.6
73.02915	2.4
74.79455	0.6
81.03417	13.9
81.07056	0.9
83.04982	0.9
84.08143	1.0
85.02904	75.7
86.03233	1.1
86.09709	3.1
91.05482	1.0
97.02888	18.3
99.04449	40.4
99.08088	44.1
100.04846	0.7
100.08427	1.0
101.02438	0.7
103.03938	100.0
104.04304	2.0
109.02873	15.3
110.09678	1.2
115.03886	0.8
119.04951	0.7
127.03910	99.9
128.04224	3.3
128.10718	5.0
129.12772	5.6
145.04951	66.9
146.05289	1.2
155.14340	1.9
163.06009	83.4
164.06409	1.8
169.04893	1.1
173.15372	27.1
174.15736	0.8
184.12859	0.8
187.06042	6.7
205.07010	5.6
253.07069	2.0
271.08148	6.4
289.09201	6.6
307.10217	30.1
308.10419	1.2
421.91165	0.8
658.37268	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	658.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01863	1.0
55.05523	1.5
57.03423	2.1
59.04993	1.3
61.02921	2.7
62.46589	0.9
69.03077	1.1
69.03429	11.1
69.07052	2.9
70.06599	6.5
71.04987	3.8
71.08630	21.2
71.30003	1.3
72.08148	7.1
73.02914	2.8
79.05486	2.2
81.03416	14.2
81.07065	2.5
83.04971	1.3
84.08127	2.3
85.02903	71.2
86.09699	13.9
91.05466	2.1
93.07020	1.7
95.08607	2.0
97.02889	18.1
99.04450	41.0
99.08090	38.1
100.08385	1.2
103.03938	91.6
104.04246	0.9
106.08740	0.9
109.02887	16.5
109.10166	1.2
109.89501	0.7
110.03212	1.0
110.07157	1.1
110.09686	1.9
115.03922	1.3
120.08109	3.5
121.10249	0.9
127.03912	100.0
128.04247	3.2
128.10683	1.7
129.10228	1.8
129.12744	3.7
136.07544	1.3
144.14522	0.9
145.04956	61.5
146.05254	1.0
147.04338	1.1
155.14297	1.9
163.06009	76.1
164.06313	1.5
165.09100	3.2
165.12961	1.0
169.04924	1.0
171.11371	1.1
173.15375	23.9
174.15750	1.3
187.06003	5.2
205.07089	7.6
213.48973	0.9
225.12279	1.5
253.07040	1.3
271.08118	7.0
289.09149	8.0
300.15442	1.2
306.01862	1.0
307.10202	23.9
308.10666	1.0
316.26437	1.5
352.28470	1.0
357.17715	3.8
408.89566	1.1
433.13394	1.4
470.26135	1.6
658.36340	2.9
659.32550	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	658.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
56.05039	1.4
57.03437	3.9
58.06594	3.9
58.83149	0.5
59.05001	0.7
67.05503	1.5
68.28312	0.5
69.03418	6.0
70.06586	2.6
71.07383	1.3
72.08156	1.6
72.88695	0.6
73.02923	1.4
81.07069	1.1
82.06575	0.7
84.08143	6.8
85.02911	8.5
86.09710	0.5
87.04475	5.4
95.08590	0.6
96.08137	3.1
97.02905	6.0
97.08913	0.9
98.09755	0.6
98.23386	1.2
103.67028	0.5
109.10086	0.5
110.09692	7.0
111.10495	3.4
112.11276	1.5
115.03930	3.0
123.04441	8.9
124.11214	2.9
128.10728	15.7
128.11646	0.9
133.04930	0.8
152.14384	0.9
192.38670	0.5
208.20676	1.0
215.34863	0.5
222.22165	8.5
240.23335	1.1
345.26883	0.9
346.27423	18.3
347.27719	1.4
364.28455	17.8
365.28961	1.4
508.32837	3.6
526.33673	8.6
527.34375	0.9
640.36841	9.1
641.37335	1.0
658.37970	100.0
659.38342	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	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07657	1.0
57.03435	3.2
58.06616	1.8
66.47285	1.0
69.03431	11.3
69.73719	5.4
70.06599	7.7
72.08181	2.7
81.07069	1.2
84.08146	4.1
85.02901	10.1
86.09746	2.0
87.04472	7.3
88.07641	2.4
96.08112	5.4
97.02893	7.2
98.09719	1.5
102.53662	1.0
110.09690	13.1
110.16937	1.3
111.10489	4.1
112.11266	4.3
115.03940	3.2
123.04445	12.4
124.11264	4.5
128.10754	4.2
138.12810	1.7
148.44138	1.1
158.43239	1.0
208.20566	1.7
222.22163	17.4
223.22571	1.7
240.23100	1.2
259.20193	1.1
318.24246	8.1
346.27390	29.3
346.31387	1.7
347.27814	2.3
364.28497	20.1
365.28772	1.5
399.88583	1.4
508.32870	4.2
509.33469	1.4
526.33881	12.1
527.34387	1.5
640.36938	12.6
658.37976	100.0
659.38440	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97205	0.4
53.03958	0.4
55.05510	6.7
56.05033	3.3
57.05812	1.3
59.05034	0.4
60.04515	0.8
67.05490	0.7
69.00584	3.4
69.03411	0.5
69.07055	1.2
70.06590	10.6
71.06901	0.4
72.08153	70.1
73.08487	0.7
74.06093	0.5
79.05436	0.4
81.07050	0.4
84.04498	5.9
84.08140	72.7
85.02913	1.5
85.06554	0.7
85.08482	1.5
86.09702	19.6
87.10043	0.8
95.06104	0.7
95.08624	0.4
96.08138	0.9
97.02929	0.8
98.23436	0.7
101.10789	2.4
102.05530	10.0
102.06155	0.6
102.09232	0.4
110.07170	0.9
111.09228	1.3
112.07584	0.8
112.08706	1.0
114.09148	0.4
115.08658	0.5
117.10274	0.8
118.06876	0.5
120.08124	1.0
127.03912	0.9
127.08694	0.9
129.10234	100.0
130.05002	0.5
130.08652	0.9
130.10588	2.6
135.93448	0.5
138.09151	1.4
139.08646	0.6
140.14311	0.6
141.10204	0.8
147.11330	1.0
152.14409	0.7
155.08189	0.4
156.10226	2.0
163.03909	0.6
183.11266	3.7
183.14931	1.7
185.16490	0.4
186.12492	0.5
187.14417	0.4
197.16501	2.3
200.13918	0.5
201.12335	24.4
202.12685	0.5
203.13995	1.4
204.13477	1.6
207.14989	0.5
210.16148	0.4
211.10938	0.6
213.12369	0.5
224.17670	1.6
227.17715	0.5
228.17055	19.8
229.11815	22.5
230.12091	0.7
235.62015	0.4
242.18741	1.1
270.18030	2.1
298.27661	0.5
317.21899	1.0
323.24658	1.1
328.18640	9.4
329.19241	0.7
331.23380	9.8
334.29782	0.7
339.20206	0.5
341.25372	2.2
342.20276	0.8
345.21686	0.5
357.21506	0.8
430.30209	7.4
431.30753	0.7
456.28171	6.3
457.28421	0.6
462.26874	0.5
470.29956	1.0
496.34335	0.5
498.29657	1.1
541.37225	2.2
551.35510	5.0
552.35114	0.5
569.36499	16.1
570.36993	2.4
658.41437	21.1
659.30542	0.7
659.41510	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	658.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01900	0.3
55.05517	3.8
56.05034	1.2
57.03441	2.6
57.07079	0.4
58.06602	4.2
61.02942	0.4
65.03938	0.8
67.05503	14.7
67.13942	0.3
69.03427	4.2
69.07065	2.3
69.18113	1.4
69.18527	0.9
70.06596	2.8
71.04996	1.0
71.07378	0.7
72.08154	30.4
73.02926	0.9
79.05492	8.6
81.03415	4.9
81.07057	11.7
81.07523	0.7
83.08635	0.6
84.08146	2.8
85.02902	9.9
85.06543	0.8
85.08914	3.2
85.09312	0.3
86.09716	1.4
91.05485	5.7
93.07040	8.4
95.04986	1.1
95.08605	6.5
96.08143	0.9
97.02890	5.0
98.09692	9.1
98.23489	0.4
99.04459	7.1
102.09174	2.0
103.03938	5.9
105.07034	2.6
107.08595	4.9
109.02879	3.9
109.06548	0.4
109.10152	2.8
110.03250	0.4
110.09698	0.7
111.10475	0.4
112.11254	1.5
117.07043	0.9
119.08566	2.6
121.10142	2.5
124.11219	0.8
127.03911	11.6
131.08595	1.4
133.10114	1.6
134.08289	0.4
135.11699	1.5
145.04973	2.4
145.10175	1.4
147.11693	1.0
149.13263	0.5
159.11752	0.7
161.13293	0.7
161.69431	0.3
163.06076	0.8
167.18777	0.4
173.13245	0.6
187.06059	0.9
201.16379	0.3
204.90019	0.3
213.10428	0.3
226.10594	0.3
226.21577	0.4
239.11670	0.3
240.12630	0.7
241.12990	0.7
253.19698	0.5
253.41971	0.3
268.11832	0.4
271.20551	0.5
286.25516	0.3
299.20102	1.4
316.29984	17.0
317.21066	0.5
317.30273	1.5
325.29471	0.3
334.31021	39.3
335.31348	3.2
349.24957	0.3
352.32086	23.9
353.32388	1.8
394.33282	0.6
432.18396	0.3
578.40747	1.3
580.38660	0.9
596.41699	1.5
597.42279	0.4
640.24982	0.5
640.40491	7.3
641.40985	1.0
658.41553	100.0
659.41888	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78315	0.9
55.05505	3.6
57.07080	32.5
59.04992	1.0
63.13388	0.9
64.50480	0.8
67.80733	0.7
69.07063	3.8
71.08634	25.9
71.09013	1.8
73.06567	7.4
73.77505	0.7
74.58385	0.8
81.34167	0.8
83.08637	3.7
85.10189	14.5
87.04480	8.4
89.06037	100.0
90.06396	1.4
91.05523	0.9
91.07587	1.7
95.97088	0.8
97.10182	4.4
99.06614	0.8
99.11739	2.7
104.23224	0.7
107.07092	1.8
111.11716	2.7
113.13300	1.9
117.09139	6.8
125.13293	1.5
127.14835	1.1
130.08669	2.7
133.08609	48.4
134.08896	1.1
177.11241	17.7
183.21104	3.3
187.94125	0.9
221.13855	3.9
222.31944	0.9
227.23795	2.9
239.14810	0.9
271.26407	4.4
283.17545	1.9
297.22406	0.8
315.29013	2.5
337.80307	0.9
415.25610	1.3
451.20868	1.1
457.00980	0.9
459.27841	2.6
597.26678	1.7
614.30548	1.8
640.28644	1.1
641.48395	2.2
647.57269	1.0
658.40149	2.1
658.50787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.07079	50.3
57.86380	0.6
58.07405	1.1
67.05501	0.9
69.07070	7.0
69.22773	2.5
69.23201	2.8
69.61658	0.7
71.08634	49.8
72.08984	0.9
73.02874	1.0
73.06564	6.8
81.07073	0.9
83.08607	3.2
83.18204	0.6
85.10184	28.2
87.04469	8.6
89.06036	100.0
90.06378	1.6
91.07584	1.2
97.10188	2.6
98.23358	1.1
99.11736	7.0
106.92106	0.7
107.07089	2.6
111.11715	4.8
113.13277	6.4
117.09132	7.9
124.68845	0.7
125.13299	2.4
127.14842	3.8
130.08664	1.7
131.07066	2.4
133.08609	64.3
134.08972	1.8
135.10196	1.0
148.26501	0.9
161.11755	2.3
175.09682	1.3
177.11229	24.3
178.11618	0.8
183.21136	1.5
189.81725	0.6
221.13879	6.2
223.15364	1.2
227.23798	2.1
239.14995	1.9
265.16592	1.6
271.26279	3.9
283.17648	1.9
309.19177	1.2
315.28885	3.8
327.20041	1.3
459.28049	3.7
466.87817	0.8
525.62897	0.7
597.45740	0.8
641.48279	4.9
642.48810	1.5
658.40216	2.3
658.50964	2.9
659.51483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37151	3.4
67.05511	7.0
71.30091	6.1
72.08151	5.9
81.03378	3.7
81.07084	5.4
91.05489	6.5
93.07059	7.0
94.06569	8.0
95.07355	6.1
95.08663	5.0
96.08121	13.5
105.07047	4.9
108.08114	11.2
110.09680	21.8
120.08096	17.1
122.06032	7.2
138.09142	28.8
139.64633	3.4
160.03958	13.8
163.74284	4.2
166.08649	27.4
180.10086	4.1
197.00325	4.2
211.08536	3.8
223.08588	5.5
225.10185	22.4
226.11037	14.7
227.11766	6.9
237.10144	9.9
239.08258	9.7
239.11781	26.8
240.12494	4.9
249.10121	6.8
250.11002	5.2
251.08432	4.3
251.11771	20.5
252.12575	5.2
253.09718	8.2
253.13339	11.9
254.10495	9.5
263.11789	17.7
265.13321	11.9
266.14093	3.9
279.11307	8.6
281.12854	12.7
283.10934	5.2
285.12283	11.7
291.11221	6.0
293.12793	5.6
297.12384	5.2
299.13870	39.7
309.12326	6.7
311.13788	12.6
313.15445	40.8
323.13821	27.9
325.15393	35.6
341.14957	100.0
342.15323	6.8
372.16901	4.4
373.17502	35.1
383.15964	45.1
384.16428	6.4
385.17606	29.7
446.20554	18.7
462.20532	20.3
474.20306	19.0
494.22946	79.8
495.23001	8.5
506.22906	66.3
507.22974	6.5
659.22296	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	659.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01286	0.6
57.16505	0.6
62.40887	0.5
67.05486	0.5
68.50457	0.6
98.23386	1.4
131.10971	0.6
159.09232	0.7
171.67673	0.7
184.07333	0.7
195.63528	0.6
207.86002	0.6
218.08168	0.8
223.12373	0.8
225.13850	1.5
229.43608	0.8
237.13924	0.8
239.15517	1.0
253.17035	1.1
255.07347	0.6
278.16806	0.6
316.18207	0.9
393.20944	0.9
395.18698	1.2
409.20300	2.1
420.18915	0.7
421.19952	0.9
422.20898	1.2
423.21826	2.2
434.21198	0.7
435.21909	2.7
436.22992	1.0
437.23444	8.8
438.23959	1.2
449.23697	5.5
450.24265	0.8
453.23041	0.9
454.23727	0.7
463.21555	2.1
467.20691	1.1
469.21991	0.6
477.22208	3.1
479.20624	0.8
482.22998	1.0
483.24249	0.7
495.24182	3.2
497.25897	3.6
507.23602	1.0
508.24484	0.7
509.25421	5.5
509.38150	0.7
510.25937	1.5
511.23831	0.9
512.24261	0.8
513.25000	2.0
522.26007	2.0
523.27155	0.9
527.26611	1.4
539.26367	1.4
541.24536	1.4
543.26086	2.0
546.61475	0.6
549.24884	3.8
550.25659	1.8
551.26660	1.8
555.25909	2.1
556.25824	0.7
568.27002	0.8
570.28345	2.7
571.26123	1.1
581.20032	1.3
581.27643	4.6
582.28235	1.8
583.28937	1.7
599.28650	1.9
609.26984	1.8
610.27063	0.9
641.20465	1.1
641.29858	14.5
642.30231	2.1
659.30719	100.0
660.19977	0.9
660.31055	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05037	0.3
69.03441	0.5
69.07075	0.3
70.06591	3.3
71.30373	0.5
72.08147	2.2
74.06097	0.3
79.05477	0.4
81.07044	0.8
83.04987	0.3
84.04476	0.3
84.08138	1.2
85.02901	0.6
86.09705	1.9
87.04453	0.3
91.05459	0.4
93.07032	0.4
95.08619	0.3
97.02872	0.3
105.07035	0.4
107.08582	0.3
110.07146	0.4
110.09679	0.6
119.12185	0.3
120.08105	0.9
127.03928	1.1
129.10240	0.5
138.09087	0.5
140.06996	0.3
141.10208	0.4
145.04874	0.4
147.11790	0.4
152.07054	0.3
159.11658	0.3
163.06058	0.4
166.08661	0.4
177.05545	0.3
178.08095	0.3
185.04256	0.4
191.14154	0.3
203.05310	1.6
213.12158	0.3
214.63640	0.3
255.11394	0.3
259.07907	1.3
269.17474	0.5
275.07349	0.5
305.08524	0.5
327.13242	0.3
336.17773	0.8
347.09479	2.6
365.10495	4.4
421.13080	2.5
443.22641	0.4
471.21899	5.5
472.22751	0.3
493.15210	0.8
498.23019	12.1
499.23395	1.0
588.89655	0.3
605.28040	0.5
633.27203	4.5
634.27716	0.4
660.28290	100.0
661.28510	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	660.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59566	0.7
55.05504	6.5
56.05033	4.5
57.03429	0.6
57.05815	1.9
58.06591	1.5
60.04518	1.2
61.29947	0.6
69.03412	0.7
69.07056	7.2
70.06590	18.8
71.06927	0.8
71.29054	0.8
71.88798	0.6
72.08154	76.6
73.08479	1.5
74.06076	9.0
84.04507	8.7
84.08135	10.1
85.02880	1.1
85.04842	0.7
86.09704	100.0
87.10025	4.2
91.05455	0.7
96.04523	0.7
97.02856	0.7
98.09688	1.0
99.09203	0.8
100.07628	0.9
101.07137	4.0
102.05527	5.3
106.24972	0.6
110.07162	2.4
111.05566	0.7
112.03928	1.2
112.07622	0.8
112.08743	1.1
112.11260	1.5
113.07137	1.1
115.08698	8.6
116.07092	2.1
120.08104	4.2
121.08408	0.7
125.10732	1.4
127.08650	0.9
128.10738	2.9
129.06599	3.0
129.10234	9.4
130.05003	7.6
131.11787	0.8
136.07585	1.9
138.09085	0.7
139.08591	0.8
141.06554	1.6
141.10201	1.3
142.12277	8.6
143.08148	8.5
143.11800	8.5
147.04459	0.7
148.06032	11.9
152.10724	2.0
155.08119	1.8
155.11729	3.2
157.13348	3.6
159.07652	1.7
163.06012	0.8
169.13388	2.5
170.04478	4.7
171.11296	10.5
173.09256	0.6
173.12872	20.7
177.87752	0.7
183.11292	3.9
183.15010	0.8
185.12842	1.5
186.12395	1.1
187.07173	5.5
187.14397	11.2
197.12860	32.9
198.13173	1.3
200.10358	1.5
201.10490	0.9
201.12328	12.9
205.08206	15.7
213.16022	1.4
215.13907	10.7
223.14417	2.1
224.17628	0.7
234.12439	1.0
241.15472	1.9
242.14940	4.5
244.09416	0.7
251.17638	2.1
254.15042	2.0
256.12799	0.8
256.16531	1.5
268.16559	2.0
268.19946	0.8
272.16055	8.9
276.11926	4.7
286.10266	1.5
286.17645	1.1
296.19717	15.9
297.19806	1.4
299.17157	1.1
301.18784	1.7
314.20657	7.4
315.20645	1.5
322.21216	1.1
325.18713	6.5
329.14624	0.9
339.20239	9.2
340.22336	1.1
343.19748	14.3
344.20255	0.8
347.15546	10.6
348.16037	1.1
357.21252	2.9
357.25003	3.5
367.23398	3.5
382.20816	3.4
385.19751	1.1
385.24432	13.5
386.24606	1.5
386.96512	0.7
393.25162	1.2
396.22403	1.5
398.84012	0.7
400.21964	1.6
410.27536	0.9
411.26044	1.2
412.25571	0.7
414.23737	0.9
428.22897	0.6
428.28790	4.0
438.27121	14.8
439.27295	1.4
446.22562	6.3
450.27451	0.8
456.28201	9.4
467.29507	1.1
468.27493	0.8
485.30490	1.5
495.29260	3.6
513.30530	1.9
529.25714	0.9
547.27576	1.1
642.34137	1.5
660.36371	11.0
661.36310	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	660.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.05045	0.6
60.04529	0.4
61.90382	0.3
68.05025	0.6
70.02954	0.3
70.06593	100.0
71.06923	1.5
71.29051	0.3
72.08157	11.4
73.08476	0.4
74.06076	0.6
83.06091	0.4
84.04506	2.0
84.08144	6.2
84.08623	0.5
85.02917	0.3
85.08475	0.3
86.09706	6.8
88.03997	0.3
98.06055	18.4
101.07175	0.4
102.05563	1.1
108.95512	0.3
110.07166	1.7
112.07586	0.3
112.08738	0.6
114.83763	0.3
115.08695	0.6
116.07092	7.4
120.08108	1.1
125.02346	0.3
126.05515	14.9
127.02503	0.3
127.08672	5.9
129.06647	0.4
129.10240	3.8
130.05022	0.4
130.06541	0.3
134.49062	0.3
136.07620	0.8
139.08719	0.4
141.10265	0.4
143.11780	0.7
144.06566	0.3
144.10249	0.3
147.07695	0.4
151.08646	0.3
151.12350	0.8
155.06949	0.6
155.08162	5.6
157.09689	1.3
167.08180	0.3
167.11800	5.5
169.13387	2.3
171.11302	1.0
177.10292	0.5
181.13411	1.0
183.11360	0.4
185.09300	0.4
185.12848	0.3
186.12294	0.4
187.10757	0.3
189.12479	0.3
191.11772	0.3
193.12206	0.4
195.11298	7.9
195.46420	0.3
196.11708	0.5
197.12901	1.1
201.12341	0.6
209.12970	0.8
213.12337	26.0
214.12712	1.1
215.13896	0.4
242.15031	0.3
252.13480	1.6
254.15021	2.8
259.12936	0.7
266.18503	0.4
282.14636	0.9
292.16336	0.4
294.17978	0.4
310.17584	17.2
311.17923	1.3
323.20856	1.2
349.18723	0.7
351.20264	6.3
351.24307	0.5
352.20859	0.3
402.21524	0.5
407.22873	19.3
408.23358	1.6
408.95358	0.3
420.26068	0.8
448.25610	4.2
504.28146	30.4
505.28387	3.5
545.30408	1.3
546.31122	0.3
561.30664	1.3
660.37451	8.7
661.38672	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	660.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92445	0.9
52.70359	1.0
55.05504	2.9
57.07076	27.4
57.26169	1.1
66.27293	0.9
69.07034	1.2
69.54809	4.4
71.08238	1.4
71.08634	26.9
73.06561	6.3
81.07050	2.2
83.08612	2.7
85.10183	23.7
85.10667	1.9
87.04471	10.2
89.06033	100.0
90.06366	2.1
93.07019	1.5
97.10176	1.0
98.23340	1.1
99.11730	2.5
107.07087	3.5
117.09126	8.7
125.62332	1.0
130.08617	2.5
131.07060	3.4
133.08609	55.9
141.16370	5.2
161.11758	2.7
161.26315	1.1
175.09683	2.7
177.11224	17.5
185.18997	5.8
221.13835	4.2
229.21657	9.3
265.16373	1.2
273.24234	5.2
283.17545	2.1
310.99274	1.0
326.96829	1.0
456.05014	1.1
624.78796	1.2
643.45526	3.1
660.49707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24088	0.6
69.47559	0.5
69.47928	3.3
76.83504	0.5
81.07124	0.5
97.02966	0.6
98.23303	0.7
103.51930	0.5
129.10277	0.6
289.83762	0.5
341.78860	0.6
387.14670	0.6
394.17914	0.7
401.16669	1.6
405.16437	0.8
415.13727	1.1
416.14560	1.2
416.19272	0.9
417.16025	1.1
419.17917	0.6
428.14804	0.8
429.15616	8.2
430.16351	3.0
431.17123	5.4
432.18262	1.1
435.17880	1.0
441.15985	1.2
442.16943	2.6
443.18085	3.1
444.17996	9.7
445.18796	4.6
447.16986	1.3
453.16183	0.6
454.16342	3.3
455.17249	3.3
456.18445	2.9
457.14407	17.9
458.15549	2.7
459.16937	1.1
467.17392	0.9
468.18265	0.9
469.19043	4.6
470.16074	0.9
471.15866	6.6
472.17355	26.1
473.17996	7.1
474.18811	0.7
482.16031	1.6
483.16769	1.2
485.18390	1.7
490.18710	1.3
496.17563	0.8
497.18057	3.8
499.20267	0.8
500.17368	2.5
501.17493	2.6
513.18237	0.7
515.19196	4.8
516.20331	2.1
517.21100	1.0
530.21460	2.3
531.22351	10.2
532.22711	2.0
548.22583	0.7
556.19623	3.4
557.20148	0.9
559.21881	53.6
560.22174	8.9
569.20209	0.7
577.23309	1.0
587.21423	3.9
619.23981	100.0
620.24182	16.1
629.22485	1.3
643.24432	1.7
661.24945	62.8
662.25305	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	662.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.77324	0.9
55.05517	14.4
57.03433	12.0
57.07079	5.4
59.05002	3.0
61.02919	3.4
65.03941	1.3
67.05509	65.0
69.07069	18.7
71.05002	2.8
71.08636	2.4
73.02923	1.7
79.05495	5.6
79.12658	1.0
81.07059	21.6
83.08614	14.5
83.96231	1.0
85.02927	2.0
85.06555	1.9
87.04466	9.6
91.03961	1.9
91.05473	6.3
93.07051	9.9
95.08617	15.7
97.02889	1.9
97.06503	2.1
97.10166	6.0
98.22634	2.3
107.08586	4.6
109.10159	61.0
110.10497	2.1
111.08085	4.5
111.11719	1.7
119.08608	4.6
121.10171	6.6
121.74781	1.0
123.11752	2.2
125.09634	1.2
133.52817	1.1
135.11702	5.4
137.09630	2.7
149.13246	2.1
155.10663	4.4
173.11752	18.4
188.95070	1.4
219.21190	1.3
229.14363	100.0
230.14757	3.9
237.22134	2.0
311.25809	75.0
312.26068	5.9
418.31213	1.1
465.35760	58.4
466.36148	5.9
466.41974	1.0
521.41901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49274	1.8
53.03725	2.2
53.03935	11.6
53.73961	2.0
55.01875	6.5
55.05516	34.8
56.05032	2.6
57.03439	20.8
57.07075	8.3
63.61325	1.9
65.03941	8.5
67.05506	100.0
68.05820	2.4
69.03426	3.6
69.07072	34.4
71.04993	3.1
79.05495	85.3
81.03427	3.2
81.07059	86.5
83.04972	8.8
83.08626	16.8
85.06554	5.4
87.04463	14.7
91.05486	56.6
93.07047	74.1
95.04970	11.3
95.08608	56.2
97.06523	7.9
97.10175	16.4
99.08101	3.8
105.07031	51.9
107.04987	3.0
107.08595	45.5
109.06535	5.4
109.10154	27.1
109.66469	1.8
111.08102	6.8
113.09703	2.1
117.07017	21.8
119.08584	33.4
121.06513	5.9
121.10136	22.1
123.08157	2.3
123.11711	8.3
125.09658	11.0
129.07014	7.3
131.08563	31.0
133.10139	25.1
135.08072	4.0
135.11661	16.4
137.09619	3.6
143.08586	4.4
145.10127	20.3
146.55571	1.9
147.11702	19.9
149.09645	7.2
149.13287	7.6
153.08971	2.0
155.08557	3.7
157.10152	5.0
159.11731	16.3
161.13281	7.7
163.11153	4.7
169.10081	2.7
169.57288	2.0
171.11703	3.9
173.11821	3.2
173.13205	11.0
175.14885	2.8
177.12848	2.8
183.11800	3.3
185.13254	8.2
187.14832	2.6
189.11232	6.0
189.16457	2.4
197.00418	2.9
197.13266	3.5
198.74745	1.9
203.14427	3.0
219.17445	2.2
227.12758	18.3
229.14384	6.0
229.19511	1.9
239.18010	4.8
243.20985	2.3
257.18848	12.0
259.20541	3.2
261.22174	6.3
267.15884	5.1
269.17578	3.2
275.20084	36.7
293.20944	2.4
335.25809	67.5
336.26282	4.5
349.23785	28.5
350.23965	3.2
431.31451	2.5
489.35550	11.9
495.26794	3.0
505.35303	2.7
513.39435	4.0
515.37262	2.5
529.39166	3.0
551.32581	4.1
569.42365	4.4
586.45227	2.2
609.44836	19.8
610.45514	4.3
627.45477	3.5
662.34326	2.4
662.46259	5.2
663.45197	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46122	5.9
53.03944	9.7
55.01878	8.9
55.05511	68.6
55.55295	5.6
57.03436	26.3
57.07067	10.5
57.66202	5.1
67.05504	70.6
69.07091	35.3
69.22577	11.9
69.22978	26.7
79.05501	82.5
79.65332	6.7
81.03403	8.9
81.07066	85.3
83.04986	6.4
83.08623	42.3
85.10184	100.0
85.87770	6.4
87.04470	51.4
89.87157	5.2
90.10699	5.2
91.05486	61.0
93.07048	86.4
95.04981	10.7
95.08611	41.5
97.06548	10.2
97.10169	29.2
105.07030	57.8
107.08586	62.2
109.06488	6.3
109.10159	28.8
111.08086	98.0
113.09638	10.5
117.07053	18.5
119.08582	44.6
121.10147	33.8
124.20466	5.8
125.09621	20.2
129.07030	7.2
131.08556	19.4
133.10153	26.3
135.11682	17.8
143.08600	10.6
145.10112	25.7
147.11748	29.6
149.09613	8.9
149.13254	11.2
159.11697	14.5
161.13219	7.3
171.11621	6.0
173.13252	13.8
185.13303	11.3
189.11234	15.9
219.17429	11.9
227.12721	42.8
232.59755	5.8
233.50096	6.4
257.19153	15.1
261.22086	20.2
275.20090	53.1
277.35208	5.8
291.61566	6.3
335.25790	97.9
349.23700	52.2
385.22278	7.0
401.62128	7.3
497.31274	40.3
505.35013	19.6
609.45081	53.4
610.44818	7.1
627.46130	10.0
662.45447	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	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01854	3.2
55.05513	29.7
56.07685	2.5
56.85430	2.2
57.03428	17.0
57.07071	11.0
65.03942	6.1
67.05506	100.0
68.05830	3.5
69.03410	3.2
69.07066	33.4
69.57630	10.9
71.05003	4.2
79.05494	81.0
81.03416	6.4
81.06582	5.5
81.07056	99.7
82.07376	3.1
83.04968	8.4
83.08613	14.0
85.06570	2.5
87.04485	22.3
91.05482	61.9
93.07043	80.2
94.07361	4.0
95.04971	9.5
95.08603	63.0
95.09164	5.3
97.06524	12.5
97.10172	5.0
98.22881	7.1
99.08133	3.8
104.30476	2.4
105.07031	42.8
107.04954	4.8
107.08594	40.8
109.06528	7.2
109.10161	19.6
111.08096	3.1
117.07008	22.2
119.08584	31.1
121.06502	6.1
121.10150	30.1
123.08062	2.7
123.11714	5.2
125.09613	4.5
129.06996	7.2
131.08553	25.6
133.10133	25.5
135.11679	17.9
137.09581	3.0
143.08571	3.4
145.10107	22.8
147.11681	14.6
149.09673	5.3
149.13254	11.9
151.11200	3.8
157.10155	7.4
159.11693	18.1
161.13269	7.5
163.11171	6.7
169.10159	3.1
171.11697	2.6
173.13293	10.9
177.12788	4.7
185.13300	6.2
195.13753	5.7
226.55505	2.5
227.12782	3.0
229.14384	4.3
243.21159	4.9
255.15923	8.0
257.18979	7.1
261.22229	8.7
269.17490	16.2
275.20004	25.3
277.21515	3.7
327.07843	3.2
335.25790	65.3
336.26172	5.0
349.23532	12.4
351.25143	2.8
408.28632	2.7
413.31741	2.7
473.36917	3.0
489.35687	3.8
495.26929	3.2
515.36975	7.9
529.38885	48.6
530.38989	6.9
543.39856	3.3
551.32623	4.1
569.41895	8.6
607.38281	3.4
609.44519	6.5
627.45782	2.9
662.45227	3.3
663.47455	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	663.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72292	0.3
69.03447	0.3
69.07070	0.3
70.06580	1.8
71.30244	0.3
71.65285	0.2
72.08157	1.5
81.07085	0.5
84.08179	0.7
85.02943	0.6
86.09747	1.2
91.05491	0.5
93.07083	0.5
95.04967	0.7
97.02905	0.4
109.02894	0.3
117.03427	0.3
120.08151	0.9
127.03941	0.6
129.10274	0.4
135.11775	0.3
136.08832	0.3
137.06006	0.3
145.02931	0.6
145.05072	0.3
159.11810	0.3
163.03943	0.9
163.37798	0.3
177.05499	0.7
195.13698	0.6
283.10889	0.3
287.07446	0.7
323.25958	0.3
329.08414	0.4
340.28787	0.4
344.24142	0.3
347.09497	0.4
357.18826	8.0
358.19302	0.5
358.29337	0.4
399.19846	3.0
400.20901	0.4
432.81378	0.3
439.23007	18.9
440.23447	1.5
441.20914	13.2
442.21317	1.6
483.21619	1.7
501.23038	100.0
502.23380	10.6
628.78784	0.4
663.28149	22.1
663.36664	0.9
664.28503	3.0
664.38934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28181	0.6
57.15836	0.7
61.43079	0.6
69.14568	4.5
69.14991	1.5
70.06595	1.6
79.05502	0.8
81.07050	1.0
86.09673	1.1
92.98117	0.6
93.07053	0.7
105.07005	0.9
113.33276	0.8
120.66687	0.6
185.04161	4.2
239.11476	0.8
267.08514	2.8
269.06421	1.0
279.52499	0.7
329.08435	26.3
330.08936	1.1
339.19357	4.1
347.09390	1.0
357.20352	7.0
358.20551	1.0
456.49399	0.8
636.87024	1.0
663.29791	100.0
664.30377	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02907	1.6
57.07065	5.9
67.05508	3.1
69.07066	2.3
79.05515	2.4
81.07051	3.2
87.04486	2.6
98.22641	4.1
172.37029	2.1
217.50720	1.7
249.22588	2.1
327.07861	8.7
383.14169	6.8
439.20444	6.0
439.63873	2.1
495.26624	4.6
551.33289	6.4
607.38995	4.5
663.42328	100.0
664.42322	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	663.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99482	0.5
53.03938	0.8
55.05483	0.7
57.07087	47.3
58.07388	1.1
77.03958	0.6
82.75301	0.6
87.04424	0.7
89.75117	0.5
91.04995	0.5
91.05495	6.9
95.04952	0.9
98.22588	1.4
105.06984	2.0
116.48023	0.4
117.06981	1.0
119.08579	1.1
121.29906	0.6
126.67255	0.5
132.09325	0.8
133.10112	0.8
147.11702	6.8
147.15883	0.5
152.06238	1.9
153.07005	3.8
171.08006	1.0
175.01558	0.8
201.44534	0.5
228.09277	0.7
229.10065	1.2
233.03665	6.2
238.69902	0.5
251.04726	17.3
252.04921	1.1
307.10980	1.9
327.07828	100.0
328.08148	6.8
350.28894	0.6
368.10263	0.6
383.14111	71.2
384.14407	7.9
439.20389	61.3
440.20773	7.9
490.43600	0.6
495.26633	72.6
496.26938	10.1
496.34161	0.7
551.32904	90.2
552.24615	0.8
552.33203	15.7
607.39160	56.3
608.39569	11.1
663.45380	11.5
664.45758	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	664.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05512	1.1
56.05032	1.5
57.03447	0.7
57.05819	1.1
58.06601	0.7
62.45413	0.4
64.54392	0.4
67.05496	2.6
69.03434	3.3
69.07073	1.3
70.06594	9.4
71.04967	0.6
71.06918	0.5
71.29884	0.6
72.08158	100.0
73.02914	0.6
73.08498	1.8
79.05502	1.3
81.03411	2.9
81.07059	3.2
83.08620	0.5
84.04494	0.6
84.08147	3.1
85.02909	6.4
85.06557	0.7
86.09701	4.2
91.05499	0.7
93.07069	1.7
95.04974	21.2
95.08627	1.8
95.28481	0.4
96.05309	0.6
96.08146	1.0
96.85799	0.4
97.02911	3.1
97.06547	0.7
98.09701	0.9
99.04454	4.1
102.09185	3.6
103.03934	3.0
103.54636	0.3
105.07042	1.0
107.04967	0.5
107.08612	0.9
109.02872	2.4
109.06532	0.8
109.10220	0.5
110.07171	0.9
110.09659	0.6
114.09187	2.0
117.06998	0.5
119.04936	0.4
119.08559	0.5
120.08116	2.4
121.10124	0.5
122.09678	0.9
123.67182	0.3
124.11256	1.8
127.03921	6.9
129.10252	1.3
133.10123	0.5
135.04379	0.4
135.11627	0.6
136.06186	0.4
137.06047	0.5
138.09224	0.5
140.10754	0.4
145.04987	1.6
147.04443	0.6
160.27985	0.5
163.03952	1.0
177.05534	0.8
187.06027	0.5
187.14616	0.5
219.11620	0.4
271.08212	0.4
277.21783	0.7
304.26389	0.5
322.27399	2.4
339.46912	0.4
340.28458	7.1
340.32419	0.6
358.29544	4.3
395.18512	0.4
503.16943	0.4
646.37872	2.7
664.39032	69.6
665.30548	0.5
665.39465	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	664.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77804	1.5
53.03953	1.6
54.96490	1.5
55.01866	5.5
55.05514	9.2
57.03437	3.3
57.07069	3.2
67.05507	19.8
69.07073	5.5
71.29655	2.4
71.30045	1.5
71.30615	1.6
73.93406	1.5
79.05497	13.9
81.07060	34.6
83.08635	4.0
91.05471	5.8
93.07034	14.6
95.08604	14.7
98.83535	1.8
105.07024	5.9
107.08616	7.7
109.06523	12.9
109.10188	8.8
111.04442	13.3
119.08572	5.7
121.10128	5.5
123.11688	2.6
125.05956	4.5
131.08589	3.7
133.10141	5.6
135.08109	1.7
135.11694	5.4
137.05977	100.0
138.06299	2.4
145.10057	2.1
147.11703	5.8
149.09654	2.9
151.07623	2.7
158.30585	1.6
161.09605	3.6
161.13252	2.6
163.11285	1.8
175.11166	4.0
179.10683	2.6
203.17982	5.0
205.19487	1.9
213.16403	2.3
215.21907	1.9
221.18889	1.7
231.17456	6.8
249.18552	4.4
277.17978	34.7
277.20993	1.9
295.19034	6.1
327.07709	2.0
328.08060	2.1
335.22296	2.2
335.25864	25.8
336.26138	3.1
351.21732	8.9
611.43079	30.4
612.43280	3.9
642.32660	1.7
664.44012	2.4
665.41412	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	665.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.3
60.04525	0.3
69.07077	10.3
70.06582	2.3
72.08157	1.4
84.04505	2.0
84.08145	16.1
86.09705	100.0
87.10023	2.1
101.10744	0.4
102.05553	0.8
120.08105	10.8
124.30942	0.3
129.06569	0.9
129.10237	16.6
133.37939	0.3
143.05348	0.3
166.08635	6.6
170.11790	0.6
197.12923	0.4
199.14453	0.3
215.13950	1.0
231.14856	0.4
233.16597	0.6
279.17032	35.7
280.17365	3.2
295.12769	0.5
323.59146	0.3
353.22031	0.4
371.22952	0.5
423.22348	2.0
433.23578	0.3
500.28754	1.0
518.29669	1.1
647.33960	0.8
665.34766	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	666.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38340	0.3
53.03941	0.6
55.01873	0.5
55.05280	0.4
55.05504	1.9
56.05028	1.5
57.03439	1.6
58.06599	1.0
60.99618	0.3
61.02933	0.6
65.03939	0.3
67.05501	2.3
68.11630	0.3
69.03428	3.3
69.07074	2.0
69.44799	1.0
69.45202	0.7
70.06214	0.4
70.06595	7.4
71.04993	2.6
72.08156	100.0
73.02934	0.6
73.08491	1.3
79.05501	1.4
81.03424	3.6
81.07052	2.8
82.70616	0.3
83.05001	0.8
83.07706	0.3
83.08629	1.7
84.04500	0.6
84.08144	1.8
85.02901	7.4
85.06564	0.3
86.09705	3.8
87.04473	0.4
91.05503	1.0
91.34045	0.3
93.07056	2.6
95.05017	0.4
95.08595	2.6
96.08118	0.6
97.02233	0.4
97.02885	3.1
97.06538	1.1
97.10217	0.3
97.70332	0.3
98.96817	0.3
99.04456	5.2
99.08075	0.4
100.11294	0.4
102.09151	0.4
103.03941	3.7
105.07082	0.5
105.34414	0.3
107.08572	1.5
108.08159	0.5
109.02880	3.6
109.10196	1.0
110.07198	0.4
110.09682	0.4
111.08067	0.5
114.09198	0.5
119.08564	0.7
120.08112	1.1
121.10181	1.2
122.09628	0.3
124.11231	2.9
127.03918	8.3
127.08691	0.3
128.10669	0.5
129.10246	0.6
133.10135	0.5
145.05022	1.2
149.09523	0.3
149.13300	0.5
155.08266	0.3
159.09190	0.4
160.04161	0.5
162.90993	0.3
177.16360	0.4
187.06058	0.7
227.08327	0.3
231.89955	0.4
244.15556	0.6
261.22229	0.3
306.27792	1.4
324.29007	4.1
325.14990	0.4
342.26334	0.5
342.30017	6.2
342.33917	0.4
343.30392	0.6
360.31033	6.6
361.31314	0.3
406.20544	0.4
434.37479	0.3
604.40759	0.8
630.38220	0.6
648.39490	16.6
649.39923	2.1
666.40613	67.2
667.41150	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	666.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01852	0.4
55.05501	1.4
56.05028	1.1
57.03424	1.4
57.05809	0.9
58.06600	0.6
60.88190	0.3
61.02917	0.4
64.65138	0.3
67.05504	1.7
69.03430	3.6
69.07064	1.5
70.06590	8.5
70.54853	0.3
71.04996	1.8
71.07376	0.5
71.30286	0.4
72.08151	100.0
73.02905	0.7
73.08488	1.8
79.05490	1.0
81.03411	2.3
81.07053	2.5
83.08604	1.0
84.04506	0.4
84.08138	2.6
85.02894	7.1
85.03365	0.6
86.09696	3.6
86.10171	0.4
87.04498	0.3
91.03989	0.3
91.05476	1.2
93.07034	2.0
95.04977	0.6
95.08607	2.2
96.08144	0.5
97.02885	3.1
97.06528	0.7
97.10199	0.4
99.04452	2.6
103.03928	2.2
105.07012	0.5
107.08598	1.2
109.02870	2.4
109.06536	0.3
109.10165	0.8
110.07145	0.6
110.09700	0.5
111.08086	0.3
112.08805	0.3
114.09175	0.5
116.07122	0.5
119.08575	0.5
120.08105	1.4
121.10143	1.1
124.11249	2.3
127.03905	5.1
128.04254	0.3
129.10249	1.0
133.10126	0.5
135.11688	0.4
136.07585	0.7
137.06024	0.3
145.04982	0.8
149.13327	0.6
155.08179	0.3
160.04213	0.5
163.03899	0.5
163.06064	0.4
173.13020	0.3
177.05510	0.9
178.05803	0.3
185.12842	0.4
187.14699	0.3
229.15529	0.3
305.96484	0.3
306.27997	1.0
324.28946	3.5
324.31973	0.3
325.23422	0.4
342.29987	8.1
342.34015	0.5
360.31076	3.3
374.28397	0.3
386.74164	0.3
504.35538	1.1
630.38190	0.4
648.39417	5.9
649.40173	1.1
666.40515	58.7
667.41040	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	666.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01877	3.9
55.05508	8.2
55.47652	0.8
57.03437	3.6
57.07077	1.2
67.05501	16.8
69.07069	10.6
79.05494	9.5
81.07056	37.3
82.07397	1.1
83.04986	2.2
83.08618	4.9
91.05501	4.2
91.11366	0.9
93.07057	7.2
94.07350	0.9
95.08604	14.1
97.06540	2.0
97.10172	1.4
104.10200	0.9
105.07034	5.0
107.08574	5.3
109.06515	9.8
109.10160	6.3
110.34409	0.9
111.04437	15.0
111.08160	1.1
117.07027	0.8
119.08574	4.7
119.13422	0.8
121.10143	5.5
123.08096	1.7
123.11720	2.5
125.06011	3.5
131.08598	1.3
133.10123	4.3
133.46652	0.9
135.08061	3.1
135.11702	4.1
137.05974	100.0
137.13269	2.0
138.06355	2.7
145.10109	1.3
147.08052	1.1
147.11710	6.4
149.09596	4.0
149.13269	1.7
151.07570	2.8
157.10136	1.9
161.09612	4.7
161.13268	2.7
163.11122	1.8
165.09143	1.6
171.11743	1.8
175.11140	5.2
175.14758	1.1
177.16458	1.0
179.10635	1.2
181.12236	1.1
189.12762	1.5
203.17917	5.2
213.16399	2.0
221.19067	1.2
231.17465	6.7
249.18474	6.4
277.17981	46.0
278.18326	2.7
295.19116	6.7
333.20313	2.1
337.27368	23.5
338.27798	2.8
351.21646	13.9
352.21930	2.0
417.73462	1.0
613.44623	42.1
614.44775	6.0
631.45538	1.4
667.45380	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
53.72090	2.4
55.05520	22.9
57.03442	4.6
57.07079	12.9
67.05514	75.2
69.07078	21.6
70.48779	5.3
71.05004	3.2
71.08638	3.7
79.05499	33.8
80.71772	2.7
81.07070	73.5
82.53173	2.4
83.04981	7.9
83.08629	14.8
91.05489	26.5
93.07056	33.6
94.14571	2.7
95.04960	8.2
95.08005	1.8
95.08611	46.4
95.09166	2.6
97.06537	4.4
97.10168	5.1
99.08105	4.4
105.07022	8.0
107.08607	23.1
109.06520	3.3
109.10166	22.2
111.08125	4.6
114.19597	2.6
116.80426	2.6
117.06989	3.5
119.08610	8.8
121.10152	11.8
123.11705	6.3
131.08575	8.0
133.10139	11.3
135.11700	9.8
138.06570	3.1
143.08490	3.0
145.10109	3.4
147.11685	7.8
148.78171	2.5
149.13271	11.7
151.11195	4.6
153.12343	2.5
157.10071	3.4
159.11719	7.7
161.13245	4.1
163.11121	5.7
177.12723	2.9
195.13849	6.8
216.61449	3.0
226.84351	2.6
229.14452	2.9
253.11017	2.5
263.23810	3.1
269.17621	14.9
277.21674	8.3
288.92728	2.8
327.07468	3.3
328.08133	8.1
329.08466	4.5
337.27390	36.0
351.25500	12.4
385.14685	3.0
444.16235	2.8
491.37277	7.0
497.27197	5.4
498.27399	3.7
531.40479	100.0
532.40900	17.2
553.33325	5.8
554.33594	11.6
610.40051	6.1
613.47974	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	666.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	4.8
62.25571	2.5
65.79019	2.2
70.06601	4.8
71.29150	3.8
76.76459	2.1
78.80396	2.2
88.07639	10.6
102.09183	4.8
106.08688	6.4
157.43483	2.4
182.90417	2.5
256.26367	3.0
274.27396	100.0
275.27863	6.0
326.97787	2.5
542.63574	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	667.3299
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
65.64808	1.6
67.05501	2.1
69.03446	2.4
70.06592	8.6
72.08147	7.2
79.05482	2.0
80.16068	1.8
81.03410	2.5
81.07070	6.2
84.08148	2.2
85.02910	2.5
86.09712	5.9
95.08615	2.4
97.02876	1.8
107.08588	2.5
125.05762	2.6
127.03910	2.2
127.34311	1.5
128.41821	1.5
133.10078	1.6
134.02847	1.7
135.11694	1.7
139.07378	1.7
140.04485	2.7
141.05260	1.8
145.10043	1.8
151.64215	1.7
163.03877	1.7
185.04155	2.2
205.27121	1.7
211.12830	1.8
225.14618	6.3
227.42430	1.5
230.03967	1.9
231.09940	2.0
249.80910	1.5
253.17737	2.7
269.26361	1.6
283.08060	2.1
285.09549	2.5
287.07562	2.1
291.95419	1.8
329.08578	3.9
339.25064	7.6
345.07913	4.0
347.09418	6.6
353.26846	3.8
435.19989	9.5
437.17331	2.1
497.19870	28.1
498.19934	3.1
504.34082	25.7
505.34900	10.2
587.31702	2.4
605.32471	4.5
631.30707	11.3
632.31000	2.0
641.07520	1.8
649.31842	19.3
654.80688	1.8
667.32281	100.0
667.40399	99.7
668.31067	12.6
668.41040	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81372	0.5
53.37259	0.7
55.05500	1.6
57.03427	1.0
60.66454	0.5
61.02924	4.5
67.05501	8.0
69.03441	2.9
69.07065	1.9
69.34567	3.8
71.01337	0.7
71.05002	1.0
73.02914	3.8
79.05476	1.1
81.03418	1.4
81.07050	3.2
83.08636	1.7
85.02895	4.5
91.03942	2.9
93.07056	1.7
95.08614	2.3
97.02892	4.9
99.04486	0.8
100.74029	0.5
101.02388	1.8
107.08652	0.8
109.02912	0.9
109.10157	7.0
119.08593	0.6
120.22680	0.6
127.03975	1.3
135.11685	0.6
173.11778	2.1
178.07083	0.6
185.04184	0.8
229.14427	1.4
243.08461	2.0
413.17722	10.1
414.18475	0.8
495.29449	4.3
572.79816	0.6
593.53467	0.6
667.40228	100.0
668.40558	11.7
679.49530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
58.14622	0.9
67.05508	3.0
67.81828	0.9
69.07104	1.1
79.05498	1.8
81.07073	3.8
83.08620	1.0
83.55372	0.8
83.68350	0.9
84.41895	1.0
91.05504	1.5
93.07059	1.9
95.08636	2.9
98.22533	2.0
105.07037	1.2
106.87819	1.0
107.08607	1.4
108.69229	0.8
124.86575	0.8
126.56395	0.9
131.73427	0.9
134.73476	0.8
216.85381	1.0
333.20349	9.7
335.25787	1.8
389.22885	6.9
581.38214	1.3
667.45447	100.0
668.45825	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	668.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89876	14.1
54.82073	16.3
55.05505	31.8
57.84057	16.8
67.05501	38.0
69.09645	34.2
69.10042	100.0
79.05494	33.3
81.07063	52.9
83.08659	20.8
85.06529	30.1
91.05493	39.2
93.07040	35.1
95.04946	28.6
95.08596	36.5
97.06570	26.1
105.07016	54.2
107.08581	53.9
109.06560	22.5
109.10168	27.2
111.08096	22.1
119.08515	38.6
121.10146	60.8
128.01491	15.1
131.08505	22.0
135.08054	29.1
143.08688	16.3
145.10097	18.5
157.10175	37.6
161.09554	23.1
171.11674	20.8
209.13356	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2917
Annotation	Agrimol G
Peak:m/z	Relative Intensity
52.24569	0.5
59.47095	0.5
60.29778	0.5
60.72915	0.5
67.05514	1.0
70.23785	1.2
78.32256	0.5
81.07058	1.1
83.55527	0.6
84.04005	0.6
94.06580	0.8
95.08607	1.0
97.80195	0.6
106.06541	0.6
108.08127	0.7
118.06511	0.6
120.08118	1.2
144.08153	0.9
144.10228	2.1
146.06100	0.7
146.09723	0.7
158.09726	0.7
173.10805	1.2
183.09210	0.6
196.09909	1.4
197.10805	1.8
209.10728	3.0
210.11409	3.7
211.12309	2.1
212.13100	0.6
221.10703	0.9
221.50421	0.7
223.12151	3.3
224.13116	2.1
225.13887	12.5
226.14598	5.0
232.09824	0.8
233.10764	1.3
234.11632	1.1
235.12415	1.5
236.13191	0.8
237.13907	2.7
238.14720	1.4
239.11850	1.2
239.15495	2.7
241.16901	1.1
245.10860	1.5
246.11577	0.7
247.12242	3.7
248.13057	1.4
249.13911	3.8
250.13857	0.6
251.15457	0.7
253.13370	2.0
253.16898	0.7
255.14868	0.9
259.12430	1.5
260.13144	1.8
261.13992	2.3
262.14655	1.0
263.11752	1.0
263.15509	0.9
264.08990	0.7
264.12250	0.7
265.13480	1.5
267.14932	7.8
270.13718	1.6
274.13809	0.7
275.12134	1.0
275.15417	6.1
276.16193	4.8
277.13425	1.6
277.16742	1.5
285.16159	1.1
289.13467	0.8
291.14838	1.2
293.12845	4.4
299.14581	0.8
300.15115	0.6
303.14886	4.2
305.16187	0.8
323.17639	0.9
327.13733	0.7
335.17538	1.2
353.11386	1.0
353.18463	0.8
367.13153	0.7
369.10614	0.7
376.18057	0.7
382.15585	0.8
391.19324	0.7
403.19400	0.7
404.16827	0.9
405.17145	0.9
407.18808	0.8
422.20026	0.7
431.18719	0.8
433.16425	1.3
434.17148	1.3
447.17651	1.2
447.22992	0.8
448.19086	1.4
449.19818	2.1
461.19836	1.8
462.20337	1.4
463.21490	4.7
464.22110	1.2
475.21591	2.9
476.22064	0.7
479.20703	0.9
489.19186	1.2
491.20667	6.2
493.22531	1.6
503.21143	1.8
505.22256	0.8
521.24689	0.6
523.23102	1.0
534.22870	1.2
535.23694	1.5
537.25293	0.8
545.22394	0.7
549.24872	2.3
550.25458	2.0
551.22900	1.0
563.22833	2.2
567.25647	1.1
577.24103	3.4
578.25269	0.8
605.23871	1.5
609.27289	2.7
637.26538	48.1
638.27002	7.6
655.21545	0.7
669.29169	100.0
670.29553	17.2
670.40680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.53058	0.3
67.05504	0.6
69.14021	0.8
69.14422	2.4
73.40156	0.3
79.05505	0.4
81.07059	0.6
87.93784	0.4
94.06586	0.4
95.08658	0.6
99.82489	0.3
108.08106	0.4
109.47813	0.4
110.51363	0.4
117.05781	0.5
118.06555	0.7
120.08138	0.7
129.06989	0.5
132.08165	0.6
134.06055	0.4
144.08104	0.9
146.06096	0.5
156.08162	0.6
157.08890	0.5
158.09702	0.6
158.27538	0.3
159.09184	0.5
163.23943	0.5
163.25154	0.3
164.07057	0.7
173.10825	0.8
183.09224	0.7
186.09265	0.4
194.09711	0.5
195.09253	1.1
196.08420	0.4
196.09943	0.8
197.10779	1.3
198.11369	0.4
207.09166	0.6
208.09839	0.7
209.10701	2.8
210.11438	3.6
211.08708	0.5
211.12265	1.9
212.13136	1.0
213.06601	0.6
219.09193	0.4
220.09998	0.4
221.10809	1.2
222.11479	0.7
223.12282	3.3
224.12941	2.8
225.10475	0.5
225.13875	10.7
226.14629	5.1
231.09296	0.5
232.09979	1.1
233.10727	0.9
234.11630	1.5
235.08673	0.5
235.12347	1.3
237.06549	0.5
237.13910	2.6
238.14638	1.2
239.08195	0.5
239.15413	2.1
240.12599	0.4
240.16179	0.5
241.09700	0.4
241.17076	0.6
245.10793	0.6
246.11488	0.8
247.12306	2.8
248.13107	1.2
249.10367	0.9
249.13927	3.7
250.14601	0.4
251.12001	0.8
251.15308	0.5
252.12683	0.4
253.13531	1.5
254.14095	0.5
255.14995	1.0
259.12491	0.7
260.13107	1.8
261.14005	2.5
262.11084	0.5
262.14728	0.6
263.11761	0.9
263.15390	0.5
265.13522	1.3
267.14954	5.9
269.12909	1.0
270.13644	1.4
274.10892	0.4
274.14417	0.4
275.12192	0.6
275.15430	6.0
276.16223	4.1
277.13431	1.4
277.17014	1.0
278.10327	0.4
279.11118	0.4
283.14395	0.5
291.14920	0.6
293.09515	0.7
293.12823	3.8
293.16058	0.6
300.14853	0.5
302.12976	0.4
303.14899	3.3
304.15335	0.6
305.16388	0.8
311.14142	0.5
316.14398	0.5
319.14120	0.5
321.16086	0.7
323.14127	0.7
323.17657	1.0
335.17703	1.0
337.27509	0.6
353.11615	0.5
354.16019	0.5
356.14120	0.5
372.20508	0.5
377.17654	0.6
382.15527	0.5
403.15649	0.7
405.16977	0.9
417.17502	0.4
418.18427	0.6
419.18857	1.4
421.20535	0.7
431.18747	0.4
433.16403	1.1
433.21161	0.7
434.17282	1.1
435.22662	0.5
442.18326	0.5
445.20715	0.5
446.18240	0.9
447.18396	1.4
448.18933	1.4
449.19681	1.4
461.19684	1.8
462.20328	1.1
463.21530	4.1
464.21857	1.1
475.21124	1.5
476.22522	0.4
489.18747	0.8
490.20181	0.7
491.20761	5.5
492.21619	1.3
493.22128	1.1
503.20782	1.5
504.21323	0.7
505.22501	0.6
517.22021	0.4
519.22290	0.4
521.21808	0.6
521.25793	0.5
522.22742	0.5
523.23163	0.6
531.20264	0.8
534.23175	1.0
535.23053	1.5
536.23944	0.6
537.24811	1.1
545.21741	0.9
549.25287	2.0
550.24994	1.1
551.23877	0.7
563.22876	1.7
567.25616	1.7
577.24365	2.6
578.25433	0.8
581.27594	1.1
582.25397	0.5
594.24377	0.4
605.23761	2.0
609.27234	3.6
610.27527	0.8
637.26575	47.1
638.27026	6.7
641.30420	0.6
669.29175	100.0
670.29443	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.0
55.01807	1.5
55.05446	2.6
56.04982	1.3
56.05224	0.5
57.03365	3.5
58.06553	1.3
61.02871	1.1
67.05433	6.2
69.03355	8.8
69.07001	2.2
69.88364	2.0
70.06517	7.3
71.04923	4.1
72.08080	16.4
72.08525	1.4
73.02837	1.7
73.40523	0.5
79.05415	10.3
81.03416	9.1
81.07057	7.1
82.06517	0.7
83.04902	1.8
83.08541	0.7
84.04462	0.7
84.08149	3.3
85.02905	15.8
85.06468	1.0
86.05988	0.9
86.09699	6.0
87.04420	1.0
91.05476	9.8
93.07040	7.7
95.04890	2.7
95.08607	4.7
96.08067	1.2
97.02896	7.4
97.06510	3.7
98.09602	0.7
99.04460	12.8
100.07545	2.1
101.08356	1.2
103.03941	10.4
103.05380	0.9
105.07037	7.1
107.08604	3.4
107.09147	0.9
108.08052	0.9
109.02876	7.4
109.06432	1.6
109.10102	1.0
110.07063	0.7
110.09599	1.8
111.08028	1.3
113.05956	0.9
115.03895	0.7
115.05363	0.7
117.06937	2.6
119.08588	5.2
120.08033	1.2
121.06458	0.7
121.10100	1.4
123.04316	0.6
123.08039	0.7
124.11235	3.7
127.03917	21.4
129.06955	1.2
129.10127	1.6
131.08537	1.6
133.10037	1.9
135.08049	0.7
135.11603	0.8
136.07483	0.8
136.40179	0.6
143.08473	1.2
145.02783	0.9
145.04956	3.9
145.10016	2.0
147.11589	2.2
155.08417	0.6
157.10056	0.8
159.11635	0.6
161.13235	0.6
163.07425	0.7
163.91267	0.6
165.09180	2.9
165.10240	0.6
171.11514	0.9
175.14738	0.5
177.05403	1.2
187.05954	1.5
207.06447	1.1
265.13092	0.6
311.13663	0.9
319.22333	0.6
328.26160	1.0
330.24341	0.8
346.23694	0.8
346.27432	5.7
364.28439	100.0
365.28833	7.8
406.29507	1.2
508.20947	1.1
608.37933	1.4
652.36346	0.7
669.93054	2.2
670.38074	66.5
671.38715	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02089	1.0
55.05270	2.0
55.05515	24.5
57.03445	7.0
57.07081	13.6
59.04934	1.2
61.02929	30.6
65.03920	1.4
67.05509	35.9
69.03439	3.7
69.07071	37.3
70.07452	1.3
71.05006	3.1
71.08644	8.2
71.30315	1.2
73.02919	11.9
74.22906	1.0
75.04488	2.4
79.05495	14.5
81.03424	1.7
81.07063	43.8
82.07367	1.4
83.04948	1.3
83.08619	33.4
85.02912	38.5
85.06529	2.1
85.10193	4.6
87.04477	1.3
91.03954	34.8
91.05485	2.9
93.07048	22.4
95.04991	1.3
95.08614	28.7
97.02895	16.3
97.06528	8.6
97.10172	21.7
99.04478	2.0
99.08080	2.0
107.08602	17.8
109.02834	1.3
109.10170	15.5
111.08083	7.7
111.11732	5.2
115.03954	2.3
115.11223	1.5
116.90388	1.3
121.10155	44.5
122.10480	1.8
123.11707	11.7
124.12062	1.3
125.09607	2.1
125.13250	1.3
127.03923	12.2
127.11162	1.4
135.10669	2.0
135.11699	35.7
135.12689	2.4
137.13268	9.7
139.11147	2.5
145.04964	17.7
149.13245	15.6
151.14815	1.8
153.12735	2.9
163.06030	28.8
163.14832	7.3
164.06166	1.3
177.16350	2.3
177.66631	1.2
181.15932	1.4
185.15565	1.5
219.21083	44.6
219.23245	2.5
220.21523	1.9
237.22141	100.0
238.22482	6.4
251.11658	1.8
255.23201	27.2
256.23590	1.3
299.15112	1.2
311.25797	78.7
312.26154	5.1
324.07605	1.2
329.26868	69.7
330.27032	5.7
369.40164	1.2
417.83151	1.2
473.31140	1.7
478.90771	1.3
495.23764	1.8
509.91428	1.3
523.23541	3.8
551.22717	3.2
579.22418	1.8
583.25482	1.8
593.23584	2.1
611.24933	20.5
617.23242	3.3
621.23279	1.8
625.26227	4.5
627.23883	1.4
629.25995	1.7
635.25037	1.8
653.26062	7.1
671.27118	3.3
671.39044	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	670.416
Annotation	Pseudodestruxin B
Peak:m/z	Relative Intensity
53.03948	1.5
55.01865	0.6
55.05503	3.8
56.05038	1.4
57.03444	4.1
58.06609	4.5
58.53278	0.5
61.02938	0.7
65.03947	0.6
67.05505	5.5
69.03435	4.7
69.07057	2.7
69.16328	1.4
69.16742	3.2
70.06590	4.1
71.04992	1.2
72.08154	28.8
73.02922	1.3
79.05498	1.3
81.03408	4.1
81.07059	6.2
83.08624	1.6
84.08141	4.4
85.02904	9.3
85.06562	1.2
85.08910	2.7
86.09723	1.8
91.05479	29.6
92.05838	0.9
93.07059	1.1
95.08603	5.7
97.02895	4.8
97.10204	1.7
98.09695	7.3
98.22580	0.7
99.04449	8.9
102.09195	1.7
103.03938	4.9
103.44982	0.5
105.07036	3.1
109.02892	5.1
109.10155	3.6
110.01501	0.5
110.09716	0.6
112.11269	1.3
117.07017	6.1
118.72163	0.6
123.11698	0.9
127.03912	12.8
129.06998	0.9
131.08560	5.4
143.08536	0.9
145.04980	2.3
145.10178	0.9
187.06145	0.8
234.15794	0.7
316.14935	0.6
328.29980	20.3
329.30521	1.9
346.31033	45.0
347.31448	3.6
364.32114	25.1
365.32574	2.1
532.39386	0.6
543.96875	0.5
590.40100	1.2
592.38361	0.9
608.41638	1.3
616.58527	0.6
652.40540	7.7
653.40155	1.0
670.41626	100.0
671.42084	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09619	2.1
57.07057	2.4
59.98469	2.5
60.70769	2.1
67.05493	2.9
69.47387	13.2
81.07035	5.4
86.65209	2.3
88.26849	2.2
88.37110	2.2
93.07040	2.2
95.08598	2.9
101.66218	2.1
124.07291	2.1
128.09219	2.2
133.08582	4.4
155.51062	2.4
162.95595	2.2
168.90317	2.2
169.28654	2.3
173.13173	2.8
175.27184	2.3
184.19408	2.7
185.10767	2.3
211.12198	2.9
223.12195	2.6
235.12427	2.5
237.13907	2.8
241.38754	2.3
263.11633	2.6
302.12747	2.3
310.16010	2.6
326.16406	3.5
339.16132	3.2
353.17627	3.9
365.17825	3.5
366.17926	2.5
367.19446	4.3
376.16861	3.1
381.16965	6.9
382.17715	6.7
393.21057	4.7
394.17798	4.5
395.18561	8.1
396.19431	3.4
409.20120	8.7
410.20621	13.2
411.21771	37.5
412.22400	3.4
423.21725	8.2
425.23511	4.0
435.02927	2.7
435.17871	3.4
437.18860	4.2
437.23450	7.2
447.21896	4.3
448.21976	4.2
451.21320	3.6
453.22754	4.1
464.22690	3.7
465.22797	4.5
466.23978	5.3
469.21744	3.9
479.24231	5.5
480.24649	7.6
481.22076	5.0
482.23074	4.9
483.23755	7.9
496.24768	8.6
497.25488	20.9
498.26236	74.7
499.26462	10.5
507.23889	2.9
508.22906	2.9
511.27206	4.4
512.27045	5.3
523.24738	4.2
524.24042	10.7
525.24786	21.1
526.25098	4.0
539.26678	15.0
540.27338	53.0
541.26935	5.3
567.25916	41.8
568.26349	9.3
584.26080	17.9
585.26990	42.4
586.27106	4.1
591.25769	4.1
595.24750	2.5
599.28625	36.0
600.28735	5.1
609.26770	8.3
610.26160	6.0
627.28076	100.0
628.28406	13.5
671.27155	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	671.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51123	0.6
55.05514	1.7
57.03450	0.8
57.07077	1.5
59.49179	0.6
60.50687	0.7
65.61437	0.7
67.05499	4.6
69.07073	2.3
69.67049	0.7
79.05505	2.1
81.07068	4.4
83.08614	2.0
89.06020	0.9
92.41103	0.7
93.07057	2.4
95.08601	4.0
96.92065	0.8
105.07030	1.1
107.08623	1.0
109.10173	1.6
111.11758	0.8
121.10093	1.0
133.10159	0.9
135.11708	0.8
137.06030	2.0
167.41200	0.7
219.09639	0.8
254.45174	0.8
261.22067	1.1
274.80847	0.8
335.18329	14.6
336.18735	0.9
369.92157	0.9
391.20959	6.3
484.43314	0.8
671.44885	100.0
672.45270	15.8
673.08807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
53.33792	0.5
55.01850	0.5
55.05468	1.7
56.05005	1.1
57.03398	1.4
61.02931	2.3
67.05502	3.1
68.04978	1.8
69.03430	6.6
69.07067	3.7
69.10809	4.1
70.06594	7.6
71.04964	1.0
72.08147	3.5
73.02869	1.6
77.54919	0.5
79.05473	3.3
80.04973	1.4
81.03428	3.0
81.05783	0.6
81.07044	2.9
82.06525	2.0
84.04502	0.6
84.08146	2.5
85.02908	7.6
86.09702	4.0
87.04418	1.8
89.03915	5.5
91.05429	1.5
93.05735	0.7
93.07042	2.9
94.06567	4.7
95.04908	1.6
95.07312	0.8
95.08553	1.6
96.07564	0.6
96.08122	8.6
97.02888	4.5
98.09686	0.5
99.04405	1.8
103.03926	0.5
105.06965	1.4
107.04908	2.0
107.07289	1.2
107.08544	0.9
108.08131	6.3
109.02882	3.8
109.08917	2.7
109.10128	0.6
110.07139	0.6
110.09692	3.6
112.07581	0.7
114.35349	0.5
116.96314	0.5
117.03377	4.8
118.06792	0.6
119.08540	0.7
120.08113	2.4
122.08875	0.5
122.09672	8.2
123.04427	13.1
123.10378	1.9
124.11211	0.6
127.03937	4.0
127.09911	2.0
128.10664	0.6
129.10201	1.4
135.04411	9.8
135.11635	0.6
136.11163	1.5
137.05956	0.7
140.10635	2.1
145.02841	8.4
145.04854	1.1
150.12694	0.9
156.27429	0.5
163.03905	51.0
164.04158	2.0
164.14355	0.6
169.04990	0.8
174.23654	0.5
178.15889	0.6
187.05936	0.7
192.17439	0.5
204.17392	0.6
206.19022	5.4
220.20638	0.8
224.20029	1.1
247.08142	1.3
261.82178	0.5
314.21106	6.0
328.22665	9.8
329.23236	1.4
330.24243	90.3
331.24625	7.6
348.25317	19.8
348.29617	1.0
349.25629	2.0
354.23798	0.6
369.14407	0.6
371.16318	0.6
372.25333	2.2
492.29587	9.5
493.30014	1.6
510.28683	18.9
511.28940	2.8
672.33704	100.0
673.34039	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.3
55.01838	0.6
55.05476	0.9
57.03391	2.6
57.22374	0.4
60.62321	0.4
61.02920	2.7
67.05448	1.2
68.04997	1.0
69.02828	2.1
69.03381	10.6
69.07028	1.6
70.06592	3.4
71.04948	0.7
72.08112	1.0
73.02927	2.8
79.05446	1.5
79.76596	0.4
80.04963	0.5
81.03419	3.9
81.07017	1.4
82.06592	1.8
83.01315	0.8
83.07310	1.6
84.08098	1.2
85.02902	15.1
86.09654	1.3
87.04475	3.7
91.03902	1.1
91.52990	0.4
93.07004	1.3
94.06568	1.9
95.04916	0.7
95.08585	0.8
96.08131	3.9
97.02901	7.4
98.06033	0.8
98.09669	0.8
98.23376	0.8
99.04448	2.1
101.02326	0.8
101.95341	0.3
103.03909	0.8
105.06977	0.5
107.08530	0.7
108.08134	2.1
109.02901	2.0
109.08858	1.4
110.09685	2.1
111.04411	0.4
112.07603	2.3
120.08066	0.6
122.09669	4.9
123.04432	8.8
123.10473	0.5
124.11217	0.7
125.09534	0.4
125.87880	0.4
126.09100	0.4
127.03922	4.0
127.09082	0.5
127.09937	7.8
129.10178	0.7
137.05840	0.5
140.09689	0.6
140.10690	8.0
143.10620	0.4
143.70486	0.4
145.04950	1.3
150.12729	0.7
153.64003	0.5
154.12213	0.5
168.93472	0.4
169.12163	0.7
187.13226	0.6
206.19032	3.9
210.18414	0.6
224.20050	5.8
248.48219	0.4
261.34351	0.4
290.20758	0.5
314.21033	2.1
328.22693	4.5
330.24246	31.2
331.24588	2.4
347.24454	0.7
348.25314	58.5
349.25687	5.2
372.25333	0.8
375.74390	0.4
390.26401	2.1
492.29611	1.1
510.30591	13.5
511.30814	1.6
575.52515	0.5
672.35834	100.0
673.36157	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01618	0.6
51.02402	0.6
51.03976	0.5
53.03952	3.1
54.13095	0.5
55.01883	1.0
55.05506	4.1
56.05034	1.9
57.03431	3.3
58.06601	5.9
65.03941	1.8
67.05505	10.0
67.05838	0.9
69.03378	5.6
69.07064	2.6
70.06590	11.8
71.05003	1.9
71.07370	1.0
72.04515	1.3
72.08156	41.7
73.02924	1.2
73.08501	0.7
77.65494	0.6
79.05143	0.3
79.05492	14.8
81.03428	6.6
81.07055	19.3
82.06585	0.7
83.04996	1.4
83.08628	0.8
84.04518	0.8
84.08141	7.5
85.02426	0.9
85.02908	12.0
85.08929	6.8
86.09711	4.8
87.04468	0.9
91.05480	17.3
93.07038	11.8
95.04962	4.0
95.08603	14.1
95.09162	1.0
96.08132	3.1
96.08896	0.5
96.37880	0.5
97.02895	6.1
97.06532	1.3
98.09686	10.1
98.22575	1.1
99.04451	9.1
101.73573	0.6
103.03951	6.1
103.05424	0.7
105.04513	0.5
105.07033	15.1
107.04991	1.4
107.08594	4.6
108.08125	1.8
109.02879	6.9
109.06525	1.9
109.08882	0.9
109.10157	1.2
110.07185	0.7
110.09697	1.9
112.11272	0.9
115.03978	1.0
117.03359	0.7
117.07019	2.8
118.06909	1.0
119.05088	0.6
119.08578	7.8
120.08120	1.8
121.06532	1.1
121.10171	1.8
122.09709	1.3
123.04423	1.8
123.08063	1.4
124.11211	3.8
127.03908	15.5
127.09912	1.2
128.10773	0.9
129.06956	1.5
129.10220	1.9
131.08574	3.1
133.10156	1.7
135.04433	1.7
135.11711	0.8
136.07565	0.9
137.09604	0.8
138.09152	0.7
140.14343	0.9
141.06981	0.6
143.08546	1.7
145.02852	1.8
145.04953	4.8
145.10098	3.0
147.08034	0.6
147.11681	5.8
155.08572	0.8
159.11736	1.7
163.03900	7.1
163.05991	0.7
163.11183	0.6
169.04858	0.6
171.11816	1.3
173.13190	1.1
173.87509	0.6
177.05443	0.9
187.06004	1.6
189.12746	0.9
196.16919	2.8
223.13292	1.5
241.13147	0.6
309.27393	0.6
328.22595	0.7
328.26547	0.6
330.24207	6.8
330.27927	21.0
331.24591	1.2
331.28317	2.7
332.29434	3.0
348.25311	3.2
348.28961	46.6
349.29364	3.1
360.40234	0.5
366.30017	14.5
367.30374	0.8
376.34256	0.6
415.11963	0.8
435.03940	0.7
510.28125	1.1
592.38501	2.0
594.35876	1.8
610.39423	1.3
654.38544	13.8
655.38837	1.6
672.39954	100.0
673.40497	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01870	1.9
55.05518	3.0
56.05033	1.4
57.03440	2.7
58.06603	3.3
61.02932	1.5
65.03925	1.0
65.63100	0.5
67.05507	6.5
69.03428	9.8
69.07073	2.2
70.06595	10.5
71.04995	3.2
71.07360	0.6
72.07752	1.4
72.08155	28.1
73.02927	1.7
79.05491	8.2
81.03424	8.4
81.07056	10.5
82.06580	0.8
83.04984	1.8
83.90172	0.6
84.04507	0.9
84.08151	6.3
85.02905	17.0
85.08910	3.9
86.03252	0.8
86.09723	3.8
87.04466	0.9
89.03936	1.2
91.05484	7.4
93.07034	5.0
94.06596	1.1
95.04986	1.2
95.08601	7.0
96.08131	2.2
97.02892	7.8
98.09702	6.4
99.04453	11.9
103.03943	8.9
105.06366	0.9
105.07025	5.9
107.04922	1.4
107.08577	2.8
108.08118	1.4
109.02892	8.4
109.06518	1.2
109.08862	0.7
109.10132	0.8
110.09695	1.2
111.08128	0.6
112.11259	1.0
117.03415	1.2
117.07022	1.9
118.06865	1.1
119.08573	3.8
120.08127	2.0
121.10120	1.5
122.09680	2.3
123.04472	2.8
123.08090	0.6
124.11240	2.4
127.03912	22.3
127.09940	0.7
129.06996	0.8
129.10223	1.2
131.08543	1.3
133.10161	1.7
135.04428	2.1
135.11685	0.9
136.07562	0.8
140.10699	0.7
143.08572	0.8
143.83342	0.6
145.02864	2.1
145.04961	3.3
145.10106	1.3
147.11707	1.7
159.11668	0.9
163.03918	11.5
171.11803	0.9
174.66190	0.6
187.06035	2.2
196.16914	1.5
201.12599	0.6
206.19174	1.0
241.13130	0.6
249.66617	0.6
251.11661	0.7
263.11890	0.6
314.21213	0.7
314.35312	0.6
328.22769	1.5
330.24274	14.5
330.28027	4.1
331.24689	1.7
348.25262	3.5
348.28976	29.7
349.29309	3.0
366.30023	15.6
367.30328	1.0
376.28995	0.8
390.30124	1.0
464.65875	0.7
492.29385	1.2
510.28445	3.0
531.19824	0.8
533.21472	0.8
540.35077	0.9
592.38611	3.2
594.36560	3.6
610.39508	1.4
654.38373	15.0
655.38525	2.7
672.40112	100.0
673.40771	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	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64407	0.6
55.05512	4.3
57.03447	3.8
57.07077	38.0
57.65081	0.7
61.02929	16.6
67.05507	11.0
68.81590	0.7
69.03423	1.6
69.07070	6.7
69.60284	0.6
69.60578	3.1
69.78131	0.6
71.08633	29.1
72.08939	0.8
72.51063	0.6
73.02910	4.9
75.04495	2.9
81.03424	0.8
81.07062	12.9
83.08620	11.4
85.02906	17.9
85.10183	17.0
85.10587	0.4
89.06015	1.1
91.03956	12.7
95.08607	25.4
97.02889	8.5
97.10177	5.8
98.23299	0.8
99.04460	0.8
99.11800	1.0
109.02901	0.9
109.10155	9.7
110.85612	0.8
111.11713	1.4
115.03916	1.3
123.11705	4.0
127.03912	5.2
137.13232	1.9
142.29526	0.5
145.04970	7.1
147.22272	0.6
151.14783	1.0
163.06020	11.3
221.22636	1.2
239.23689	25.3
240.24078	1.3
253.04822	0.6
257.24738	3.9
275.26031	0.6
313.27356	100.0
314.27740	7.3
329.27728	0.7
331.28424	31.4
332.28745	2.4
363.81610	0.7
563.42615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.9
57.03434	4.4
57.07079	34.8
61.02930	10.3
67.05511	8.7
69.03448	1.4
69.07061	6.5
69.66768	1.3
69.67179	2.6
71.08634	27.2
73.02914	4.2
75.04459	1.7
77.94580	0.7
81.07054	13.3
83.08619	9.7
85.02431	1.2
85.02909	13.1
85.09722	1.3
85.10186	15.8
91.03957	11.7
91.90331	0.6
93.07072	1.0
95.08611	20.6
96.92230	5.1
97.02895	6.6
97.10167	5.3
98.23264	1.0
99.04437	1.2
99.11726	1.0
109.10159	9.7
111.11720	1.0
123.11753	4.6
127.03930	5.7
137.13278	2.0
145.04955	6.2
151.14845	0.8
163.06009	9.0
171.79402	0.7
184.64545	0.7
195.34918	0.8
207.06438	0.8
211.58432	0.7
239.23708	23.5
240.24095	1.9
242.90456	0.7
257.24734	4.3
307.45651	0.7
313.27359	100.0
314.27670	7.6
315.76086	0.9
331.28436	25.6
332.28644	2.5
400.65930	0.8
475.32431	2.0
672.37335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
57.03442	9.0
57.07079	1.3
61.02924	3.1
62.33916	0.7
65.03938	1.7
67.05508	32.0
69.03426	0.8
69.07076	7.2
71.04995	0.9
77.41743	0.7
78.07406	0.8
79.05496	14.9
79.05920	1.5
81.07059	18.8
81.07523	1.1
83.08633	3.0
85.02930	2.3
85.06567	1.5
89.06033	1.1
91.05482	6.7
93.07050	19.6
95.08611	100.0
95.74924	0.8
96.08944	2.2
97.02882	1.0
97.06550	4.0
98.23421	2.1
99.08105	0.8
105.07027	5.3
107.08612	6.3
109.10152	7.1
111.08074	0.9
117.07043	1.9
119.08554	4.4
121.10178	5.8
123.08103	2.9
123.11734	3.1
131.08578	2.7
133.10143	2.6
135.11691	5.0
139.11107	0.8
141.09084	3.8
145.10139	2.0
147.11743	2.6
149.13275	3.8
159.10193	13.8
159.11549	1.1
161.13286	2.3
163.14883	1.8
173.13286	2.0
187.14839	1.3
211.12486	1.0
213.11269	3.6
215.12798	64.7
216.13174	3.2
243.21175	3.7
244.21498	0.9
261.22128	13.0
262.22470	1.1
270.58765	0.8
317.24765	2.0
335.25821	48.0
336.26181	2.9
382.04874	0.8
475.34207	19.1
476.34564	1.9
493.35300	2.0
523.26855	1.0
580.25757	1.6
592.43494	0.9
612.29028	8.1
613.28821	1.5
672.27283	2.9
672.38324	1.7
673.32196	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
57.03442	9.0
57.07079	1.3
61.02924	3.1
62.33916	0.7
65.03938	1.7
67.05508	32.0
69.03426	0.8
69.07076	7.2
71.04995	0.9
77.41743	0.7
78.07406	0.8
79.05496	14.9
79.05920	1.5
81.07059	18.8
81.07523	1.1
83.08633	3.0
85.02930	2.3
85.06567	1.5
89.06033	1.1
91.05482	6.7
93.07050	19.6
95.08611	100.0
95.74924	0.8
96.08944	2.2
97.02882	1.0
97.06550	4.0
98.23421	2.1
99.08105	0.8
105.07027	5.3
107.08612	6.3
109.10152	7.1
111.08074	0.9
117.07043	1.9
119.08554	4.4
121.10178	5.8
123.08103	2.9
123.11734	3.1
131.08578	2.7
133.10143	2.6
135.11691	5.0
139.11107	0.8
141.09084	3.8
145.10139	2.0
147.11743	2.6
149.13275	3.8
159.10193	13.8
159.11549	1.1
161.13286	2.3
163.14883	1.8
173.13286	2.0
187.14839	1.3
211.12486	1.0
213.11269	3.6
215.12798	64.7
216.13174	3.2
243.21175	3.7
244.21498	0.9
261.22128	13.0
262.22470	1.1
270.58765	0.8
317.24765	2.0
335.25821	48.0
336.26181	2.9
382.04874	0.8
475.34207	19.1
476.34564	1.9
493.35300	2.0
523.26855	1.0
580.25757	1.6
592.43494	0.9
612.29028	8.1
613.28821	1.5
672.27283	2.9
672.38324	1.7
673.32196	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	7.5
62.06093	5.0
62.09679	0.7
69.87110	2.7
71.08636	3.8
75.35529	0.8
82.94566	0.7
85.10201	1.8
96.02912	0.7
240.26877	3.7
258.27933	100.0
259.28265	7.1
451.35526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
57.06797	1.7
57.07077	33.5
67.05483	1.1
68.54979	0.6
69.07066	4.6
71.08633	27.7
73.06557	8.7
83.08625	3.8
85.10184	18.4
87.04466	8.0
88.10683	0.6
89.06033	100.0
90.06358	2.0
97.10164	6.0
99.11729	1.8
107.07085	3.0
107.08597	0.7
111.11736	3.1
111.38049	0.7
113.13287	1.4
116.60349	0.7
117.09126	7.2
123.76594	0.7
125.13250	1.5
127.14873	1.5
129.19135	0.7
130.08669	2.0
131.07018	2.0
133.08603	47.5
134.08937	1.6
141.16402	1.3
160.88492	0.7
161.11717	1.7
175.01506	0.9
175.09674	1.9
177.11218	19.8
178.43126	0.9
197.22702	2.2
221.13757	4.1
241.25270	2.1
265.16357	0.9
283.17560	1.7
285.27979	4.5
309.19128	0.7
329.30649	3.8
371.23099	1.3
459.28061	1.8
499.26675	1.5
523.66089	0.8
586.27423	1.0
600.28088	0.8
613.72131	0.8
628.28424	1.7
655.49438	3.1
672.51874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01923	2.0
61.70172	2.5
67.05511	3.8
67.51748	2.0
71.30924	3.5
75.59200	2.0
81.07068	3.2
89.06030	2.6
93.07021	3.7
94.98024	2.4
95.08590	2.6
95.89786	2.1
96.37427	1.8
106.37989	2.1
106.52851	2.3
126.89105	2.8
129.51447	2.2
137.80782	2.3
197.10860	2.4
261.13828	2.2
270.14948	1.9
352.24747	2.6
377.17853	4.4
391.19110	6.6
392.19684	2.9
393.21072	4.8
405.20636	3.5
406.21634	3.9
407.22610	4.5
409.20294	7.0
420.23056	2.3
421.23837	8.6
423.21573	5.9
427.48737	2.5
437.19275	5.0
456.61313	2.3
465.22769	9.1
466.23035	4.0
479.24420	4.7
481.26089	2.5
497.25391	12.3
511.27258	3.2
523.23267	3.3
525.25006	6.0
526.25110	3.2
537.25250	3.1
538.24835	2.5
553.28107	35.3
554.28082	5.2
555.25519	3.9
569.27576	17.9
570.27887	6.0
579.25751	11.9
582.79688	2.5
585.30768	100.0
586.31293	11.8
597.26971	12.9
629.29462	5.1
673.39716	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	673.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31284	0.9
71.29814	1.7
91.05468	1.4
108.08146	0.9
121.06435	1.1
131.45068	1.1
132.08130	1.0
144.08147	1.1
149.02356	1.5
150.05118	0.9
166.08565	1.0
172.30998	1.0
174.09171	1.1
180.76793	1.0
193.04938	2.2
195.09146	2.1
197.10716	1.3
208.09755	1.5
209.10703	4.7
210.11516	3.5
211.12355	2.5
213.06494	1.0
213.10201	1.1
222.11548	3.1
223.08647	1.1
223.12325	4.1
224.13071	5.2
225.13870	4.3
226.14622	1.3
227.08179	1.9
229.09813	1.2
235.12518	1.1
236.13362	1.0
237.10179	1.7
237.13896	13.2
238.14691	7.8
239.15416	5.1
241.09695	2.3
247.12868	1.1
253.13348	1.7
255.11411	1.3
259.10837	1.7
265.13309	8.5
266.14236	3.1
267.14899	3.8
273.08694	1.0
293.12674	1.1
297.12411	2.3
301.11838	2.4
314.16547	1.7
325.15457	7.1
326.16171	2.2
327.17093	3.8
328.17969	1.3
329.10938	1.1
340.14294	1.2
372.17331	1.3
374.18610	1.8
386.15073	1.2
399.88531	1.0
407.18472	1.5
418.17993	1.5
419.18195	1.6
429.11801	1.4
434.21335	1.2
437.19656	1.5
438.20328	1.0
465.23090	1.3
468.21780	1.1
476.21591	2.1
477.22598	2.9
483.24097	2.1
484.25195	1.7
492.21692	1.3
493.22333	3.9
494.22845	1.2
507.24088	1.4
508.23578	1.4
510.22598	1.1
511.23434	4.2
517.22821	1.0
521.21814	1.5
535.23535	2.2
536.23517	1.1
538.22272	1.1
539.22803	3.5
553.24304	4.7
554.24939	1.8
565.24335	1.7
569.27271	2.1
571.25708	1.6
579.26276	1.8
581.23706	3.6
595.25543	15.4
596.25403	2.5
597.27026	2.3
598.28027	1.3
601.29962	2.4
605.23749	2.9
613.26563	27.3
614.26648	4.0
623.24902	4.9
631.27667	1.1
641.26074	100.0
642.26471	14.8
673.28394	7.0
673.40363	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	673.3229
Annotation	Heterotropatrione
Peak:m/z	Relative Intensity
54.96744	0.3
55.05510	0.5
57.03435	0.6
67.05508	2.1
68.05850	0.4
69.01769	0.8
69.02194	1.5
69.07079	0.6
79.05503	1.0
81.07052	1.5
82.07450	0.3
84.43594	0.2
86.09690	0.3
91.05483	0.5
93.07046	1.2
95.08606	5.4
96.08920	1.4
98.23385	0.6
105.03393	1.4
105.07042	0.4
106.03725	0.3
107.08607	0.6
109.10126	0.3
121.10181	0.3
121.35464	0.2
123.08131	0.3
123.11684	0.2
123.12527	0.3
132.08105	0.3
135.11699	0.5
141.09058	0.3
144.08113	0.3
149.05972	1.8
150.06320	0.4
159.09145	0.5
159.10286	0.5
160.07599	0.4
164.10709	0.3
178.08472	0.2
184.07455	0.8
195.09145	0.3
197.10732	0.5
209.10843	0.8
210.11430	0.5
211.12309	0.6
215.12804	2.5
216.13153	0.7
218.08104	0.3
222.11217	0.3
223.12370	1.0
224.13164	0.8
225.13959	0.9
226.14520	0.3
233.09048	0.3
235.12283	0.4
237.13809	1.7
238.14700	1.1
239.15430	2.0
240.16075	0.2
240.34888	0.2
249.13864	0.5
251.15486	0.4
253.17055	0.5
261.14017	0.7
262.13815	0.3
264.15118	0.4
277.13422	0.3
279.15097	0.3
288.14948	0.5
299.15381	0.3
300.15192	0.3
302.16574	0.4
303.17288	0.3
312.15240	0.3
314.16837	0.3
316.17932	0.4
318.16110	0.6
326.16455	0.3
335.25992	1.0
336.26157	1.5
340.18277	0.3
350.16675	0.2
351.17120	0.3
364.16281	0.3
365.17679	0.3
367.19659	0.4
374.18643	0.4
377.17673	0.4
378.19101	0.3
379.19568	0.6
380.20032	0.3
381.16754	0.4
381.21164	0.6
392.20294	0.3
393.20862	0.6
394.17813	0.3
395.18689	1.0
402.22150	0.3
404.23633	0.5
407.18472	0.6
407.23065	0.4
408.19580	0.7
409.20145	2.9
410.02707	0.3
410.20883	0.7
411.22635	0.3
418.17886	0.3
419.18494	0.3
420.19409	0.7
421.19443	1.1
421.24771	0.6
422.20663	0.7
423.22006	2.5
424.22476	1.0
425.19431	0.5
427.17621	0.3
433.20541	0.4
434.20956	0.7
435.22009	2.3
436.22513	1.1
437.23541	6.5
438.20648	0.8
439.21454	1.5
448.23184	0.3
449.23557	4.8
450.23865	0.8
452.22430	0.3
453.23236	1.7
461.23776	0.3
463.21106	2.7
464.21512	0.5
467.20142	0.4
475.34027	0.6
476.34613	1.3
477.22842	3.9
478.24139	0.5
479.20511	0.7
481.22055	0.3
482.23151	0.8
483.23672	0.7
484.25409	0.3
489.26572	1.4
491.24481	0.5
493.22220	0.5
494.23032	0.3
495.23834	2.2
496.24054	0.5
497.25366	0.8
507.24048	0.8
508.24680	0.5
509.25516	2.9
510.25977	1.1
511.27380	5.3
512.27173	1.0
513.24866	2.1
514.25330	0.4
521.21674	0.3
521.25531	0.4
522.26453	1.3
523.27264	3.1
524.27405	1.0
525.24994	0.9
527.27313	0.6
534.14337	0.4
535.26367	0.3
536.28156	1.5
537.28522	0.9
539.25836	0.8
540.27533	0.5
541.27814	0.9
542.25598	0.4
543.28918	0.3
549.24823	0.4
553.28772	1.5
555.26196	0.9
556.26636	0.4
557.27716	1.7
558.26898	0.3
563.26434	2.1
564.27356	1.7
565.28186	1.6
567.26086	1.0
569.27631	1.8
570.27551	0.5
571.28931	0.5
580.26746	0.4
581.27698	0.5
582.28094	1.1
583.28369	0.3
584.29895	1.9
585.27661	0.8
591.26300	0.4
595.29211	3.8
596.29883	1.9
597.31018	2.5
598.29132	0.3
599.28735	0.4
600.29541	1.0
601.27045	0.6
613.30237	2.2
614.30273	0.3
615.28540	0.4
623.28809	1.7
626.26929	0.3
655.31268	4.2
656.31403	1.0
658.29523	0.5
673.32269	100.0
674.32574	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93313	0.3
67.05501	0.4
69.28812	2.1
76.23370	0.3
95.08618	0.5
101.74866	0.3
111.29916	0.3
122.09606	0.3
130.82816	0.3
145.07623	0.3
159.09187	1.1
164.10701	0.4
175.17107	0.3
185.10843	0.3
197.10898	0.5
209.10765	0.8
210.11569	0.6
211.12393	0.7
221.10826	0.4
222.11423	0.4
223.12418	0.7
224.13124	0.9
225.14021	1.1
235.12373	0.4
237.13898	1.1
238.14662	0.9
239.15375	1.8
240.16008	0.4
247.12503	0.5
251.15376	0.4
253.17023	0.6
276.15570	0.3
277.16937	0.4
302.16812	0.4
307.18082	0.4
315.17844	0.5
316.18161	0.5
317.18951	0.4
318.16290	0.3
340.18109	0.4
364.17065	0.4
367.19287	0.5
370.28473	0.3
381.17117	0.4
391.19421	0.4
393.20868	0.5
395.18732	0.9
402.22134	0.5
407.22641	0.5
408.19196	0.7
409.20148	2.5
410.20831	0.7
411.21582	0.5
418.18115	0.4
419.18625	0.3
420.19528	0.8
421.20059	1.1
422.20999	0.7
423.22247	2.2
424.22687	0.6
427.17593	0.3
434.20993	0.9
435.21896	2.0
436.22531	1.1
437.23792	3.5
438.20068	0.5
439.21335	1.3
449.23764	3.2
450.24332	0.9
451.20752	0.4
453.22934	1.2
454.23703	0.4
461.19696	0.5
462.20453	0.4
463.20969	1.6
464.21616	0.4
477.23172	1.5
479.20782	0.5
480.21970	0.5
489.26367	0.5
493.22186	0.9
495.24023	1.3
496.24173	0.5
497.25800	0.8
507.23685	0.4
508.24792	0.3
509.25308	1.8
510.25391	0.4
511.27295	4.0
512.27521	0.7
513.24823	2.2
521.22345	0.4
522.26447	0.7
523.27313	1.6
524.27930	0.4
526.25616	0.5
527.26825	0.6
536.27496	0.5
537.27997	0.4
540.27319	0.7
541.28339	0.8
549.26141	0.4
553.27771	1.2
554.25787	0.5
555.25775	0.9
557.27618	1.7
563.26508	1.4
564.27075	0.9
565.28180	1.5
566.28259	0.4
567.26233	1.1
569.27515	1.6
571.29016	0.4
584.30322	1.4
585.27911	1.2
595.29266	1.6
596.29651	0.6
597.30487	2.0
599.28015	0.6
600.29346	1.1
601.27130	0.5
609.23431	0.9
613.30225	1.9
623.27948	0.9
626.27148	0.4
641.29321	0.8
655.31104	0.9
658.29962	1.0
673.32288	100.0
674.32587	17.2
674.44250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48133	0.6
69.07044	0.7
69.43800	4.1
70.06600	1.2
95.08572	0.6
95.15283	0.7
98.10574	0.7
107.04720	1.3
109.02635	6.1
111.01238	0.6
123.04209	1.3
149.02283	0.8
165.08902	1.4
203.10440	1.4
247.13126	1.2
261.14792	0.7
273.14664	0.7
281.14987	0.8
285.14679	1.0
304.87103	0.9
339.19257	0.9
347.19800	0.8
361.21555	1.0
389.21014	1.9
447.25378	2.0
448.26022	1.3
495.97839	0.8
567.33087	1.1
581.34637	3.0
606.87787	0.9
615.36530	8.2
616.37201	1.5
637.27350	0.9
655.39685	6.0
656.39246	0.9
673.40887	100.0
674.41565	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.2
59.05019	1.1
60.70948	1.1
67.05537	1.2
75.81692	1.2
79.05531	1.2
89.37424	1.2
96.36286	1.2
105.07002	1.2
117.09108	1.3
140.79449	1.1
149.02448	1.6
193.05005	1.6
196.80745	1.4
263.12634	3.2
267.54758	1.4
385.09274	2.6
415.26239	1.8
431.25714	2.2
581.33844	1.7
615.36481	1.9
637.38885	2.4
655.39630	25.1
656.40009	2.5
673.40826	100.0
674.41449	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.0
55.01864	1.1
55.05504	4.0
56.05031	1.3
57.03442	2.8
58.06601	4.5
61.02916	0.5
65.03921	0.6
67.05507	9.4
68.05836	0.4
69.03432	6.9
69.07059	2.1
69.44788	0.7
69.45135	2.0
70.06592	8.1
71.04996	1.3
71.07358	0.4
72.04514	0.6
72.08156	31.8
73.02921	1.3
73.08475	0.6
78.37238	0.4
79.05495	9.2
81.03413	6.7
81.07055	15.6
81.07528	0.9
82.07375	0.5
83.04984	1.6
84.08144	5.4
85.02905	11.7
85.06562	0.8
85.08920	6.6
86.09709	3.5
89.10941	0.5
91.05479	5.9
93.07043	11.6
95.04983	1.5
95.08606	14.0
96.08115	1.1
97.02891	5.6
97.06529	0.5
97.10188	0.6
98.09685	9.3
99.04455	9.7
103.03944	7.7
105.07034	3.4
107.08595	6.4
109.02875	6.6
109.06541	0.6
109.10176	1.9
110.07177	0.6
111.08120	0.7
112.11259	1.2
115.03922	0.5
115.05411	0.7
117.07032	0.9
119.04961	0.4
119.08578	2.9
120.08104	3.4
121.08479	0.8
121.10174	1.9
123.08089	0.9
124.11246	1.3
126.12849	0.7
127.03914	16.3
129.10265	0.5
131.08563	1.4
133.10156	1.7
135.11713	1.0
136.07628	0.9
140.14346	1.3
145.02936	0.5
145.04971	3.1
145.10149	1.6
147.11694	1.8
149.13255	2.8
157.10133	0.9
159.11700	0.4
163.03932	2.5
163.05981	0.7
165.09148	0.7
171.11559	0.6
173.13243	0.5
187.06078	0.9
187.14801	0.6
196.17001	0.4
211.14272	0.6
213.16161	0.4
236.20113	1.1
331.24426	0.5
332.25562	0.6
332.29431	16.1
333.29980	1.6
350.30521	18.8
351.30835	2.1
368.31580	16.8
369.32010	1.4
513.26855	1.3
594.40240	2.3
596.37921	3.2
612.41211	1.6
656.40039	14.4
657.40271	2.5
670.82172	0.5
674.41089	100.0
675.31250	1.5
675.41565	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	674.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.6
55.05511	56.3
57.07078	19.4
67.05495	19.1
69.03429	5.6
69.07066	20.7
69.80952	3.8
71.08619	8.3
79.05494	11.1
81.07048	13.2
83.05013	5.8
83.08612	100.0
84.61142	3.7
85.10175	5.8
93.07051	10.4
95.08628	13.0
97.06519	4.4
97.10169	45.3
98.22645	11.0
107.08603	10.8
109.10191	9.9
111.08084	23.0
121.06495	5.3
123.11736	5.1
125.09618	38.2
139.07507	8.2
144.28569	4.1
153.09036	5.0
157.08545	8.0
163.11179	6.4
166.86034	4.6
175.09608	19.3
189.11252	22.5
213.11214	48.6
219.12297	5.1
227.12770	53.2
229.05740	5.2
245.13667	5.8
373.11481	4.0
383.20596	45.8
401.21744	30.7
469.34979	16.9
483.36987	21.8
639.44958	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13340	0.6
50.36668	0.6
54.52023	0.8
55.05516	3.8
56.76659	0.7
57.03385	0.8
57.07079	36.5
59.04999	0.7
67.05505	1.9
69.03441	0.6
69.07083	2.0
69.10750	5.8
71.08237	1.2
71.08636	24.0
73.02907	0.8
73.06562	9.9
79.05485	1.1
81.07050	1.9
83.08608	2.4
85.10186	18.4
87.04462	9.4
89.06035	100.0
90.06391	1.7
91.07585	1.3
93.07032	1.5
95.08631	0.9
97.10176	4.7
99.11740	3.3
107.07075	2.9
109.10173	1.1
113.13326	1.2
117.09133	7.5
130.08665	1.5
131.07037	3.5
133.08612	48.0
134.08948	0.9
135.10178	1.0
155.17935	3.5
161.11758	1.8
175.09694	2.4
177.11227	19.3
178.11574	0.8
190.67754	0.6
199.20607	4.5
217.14326	1.0
221.13844	3.0
239.14932	0.9
240.23325	0.8
243.20946	0.7
243.23195	7.4
265.16537	0.9
283.17609	0.9
287.25793	3.9
327.20261	0.7
335.25967	1.6
477.35757	1.3
569.41937	0.7
582.24457	0.9
657.47260	2.4
674.50238	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75049	0.3
58.00473	0.3
70.34253	0.9
116.81731	0.3
144.01300	0.4
399.14603	0.3
439.13794	0.6
440.14255	0.5
441.14984	0.3
453.16153	0.7
454.16656	1.3
455.13306	1.0
456.13861	0.5
467.13547	1.6
468.13846	3.3
469.14804	10.6
470.15576	2.6
471.16446	0.4
479.17303	0.4
481.14841	2.9
482.15805	13.7
483.16531	15.0
484.17221	3.8
487.16049	0.7
495.16519	1.7
496.17471	7.0
497.18185	50.5
498.18585	10.4
499.19537	1.0
500.17450	0.7
501.17953	0.4
510.19363	2.5
511.19821	6.9
512.20447	2.5
515.19153	2.6
516.19446	0.5
523.16296	0.4
524.17151	0.5
527.15686	1.0
528.16400	2.6
529.16998	0.5
538.20215	0.6
539.19373	0.4
541.17004	0.9
542.17804	2.9
543.18530	0.6
555.18677	1.1
556.19464	3.9
557.20367	4.2
558.20691	0.4
569.20087	0.7
570.20825	0.4
571.22034	0.8
574.20355	0.3
583.20966	0.4
585.22949	0.3
587.21301	0.4
616.21490	1.5
625.22467	0.4
629.22400	1.0
630.23083	0.4
643.24072	6.7
644.24652	9.0
645.24554	2.0
657.25519	7.4
658.25763	1.4
675.26563	100.0
676.26819	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06623	0.1
81.07053	0.1
98.23370	0.4
104.94455	0.2
147.39345	0.2
149.02386	0.3
185.04263	0.7
193.04938	0.2
203.05312	0.4
245.06447	0.3
259.07962	0.4
347.09457	2.2
351.25110	0.3
365.10062	0.2
385.08871	0.2
386.72006	0.2
421.13202	0.4
429.12418	0.2
430.12195	0.3
513.30341	13.0
514.30902	1.3
675.35590	100.0
676.35980	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3925
Annotation	Ervahanine A
Peak:m/z	Relative Intensity
53.01672	0.6
55.05503	1.4
56.47886	0.6
58.06590	0.6
67.05508	2.6
69.03429	1.2
69.07063	1.2
70.06586	5.4
71.30182	0.8
72.08155	8.5
79.05492	1.6
81.03423	1.4
81.07060	3.8
84.08147	1.3
85.02914	2.4
85.08937	0.8
86.09707	1.5
91.05487	1.2
93.07056	2.1
95.08598	3.3
97.02885	1.1
98.09678	1.5
99.04471	2.1
103.03960	0.7
105.07037	0.7
107.08574	1.5
109.02856	1.0
109.06474	0.7
109.10126	0.8
110.09706	1.3
119.08566	0.8
120.08115	1.8
122.06090	0.7
127.03947	2.2
129.10316	0.7
133.10063	0.7
135.11740	0.9
136.07623	0.7
138.09174	1.3
143.08624	0.9
163.03874	0.8
177.05498	1.8
203.05284	1.3
207.06575	0.8
243.14909	0.9
251.08603	0.7
267.11584	0.7
271.14398	1.2
276.92673	0.6
285.09439	6.4
285.12329	0.8
287.07376	5.2
329.08627	2.3
334.31055	2.8
347.09497	9.4
350.30618	0.7
351.28769	1.5
352.32230	2.5
369.29865	0.8
370.33261	2.2
449.22006	0.7
460.67242	0.8
531.35016	1.3
552.23792	0.8
589.43671	0.7
594.97369	0.6
595.37994	0.7
613.39178	4.4
615.36865	1.0
639.36749	1.1
657.38385	2.7
658.41180	2.5
666.34277	0.8
667.70282	0.8
675.39288	100.0
676.40839	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08695	0.5
53.03887	1.8
53.04107	0.5
55.01814	1.3
55.05451	3.4
56.04976	1.8
57.03379	4.3
57.07037	0.6
58.06538	5.1
61.02859	2.9
65.03907	0.6
67.05434	15.6
68.05781	0.6
69.03358	12.4
69.06994	2.6
69.61438	2.2
69.61852	1.0
70.06522	4.2
71.01302	0.7
71.04926	1.6
72.08081	29.6
72.08525	2.2
73.02847	1.8
73.08439	0.8
79.05495	8.8
81.03421	5.4
81.07057	12.3
83.04903	0.6
83.08543	1.3
84.08135	4.5
85.02905	41.3
85.03369	1.9
85.08931	3.7
86.09634	2.5
87.04422	1.1
91.03915	0.8
91.05476	6.3
93.07051	9.2
95.08601	8.4
97.02886	11.9
98.09697	9.0
98.22681	1.0
99.04451	2.7
100.68458	0.5
102.09113	1.3
103.03883	1.2
105.07037	3.7
107.08600	4.6
109.02885	5.7
109.06480	1.3
109.10055	3.6
110.09627	0.6
112.11184	1.5
115.03902	1.0
117.06968	1.4
119.08604	3.0
121.10120	3.6
124.11130	0.9
127.03073	0.6
127.03895	8.8
127.72989	0.6
131.08498	2.1
133.10132	3.4
135.11641	1.3
145.04932	4.2
145.10045	1.5
147.11600	1.6
149.13124	0.9
159.11623	0.7
161.13205	0.6
163.05971	0.6
173.13184	0.8
175.50836	0.5
187.14732	0.7
189.16336	0.6
191.14233	1.2
191.43129	0.6
255.88940	0.6
278.47330	0.6
316.29974	15.1
316.33463	1.1
317.30417	1.3
334.31033	60.6
335.31290	5.8
351.62930	0.6
352.32089	100.0
353.32434	8.2
394.33279	1.0
514.37482	3.8
516.64923	0.6
614.39844	0.9
658.41486	3.6
676.42596	75.3
677.31995	0.7
677.43188	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
55.01872	1.1
55.05516	3.9
56.05057	1.0
57.03443	5.9
58.06612	3.1
58.79527	0.8
61.02925	4.1
65.03958	1.4
65.78649	0.9
67.05151	0.6
67.05504	16.1
69.03428	15.8
69.07081	2.8
70.06599	4.1
70.84238	1.8
71.05009	2.0
72.07760	1.6
72.08156	29.1
73.02920	1.8
74.92007	1.0
79.05502	9.4
81.03425	6.8
81.07056	10.4
81.93069	0.8
84.08165	3.9
85.02907	38.1
85.06568	1.6
85.08936	3.5
86.09731	2.7
87.04488	2.2
91.03947	1.1
91.05489	5.6
93.07051	8.3
95.05003	1.5
95.08602	7.7
97.02895	13.7
98.09698	8.5
99.04463	2.4
102.09206	2.4
105.07041	4.1
107.08600	5.3
109.02917	3.5
109.10193	3.2
110.09706	1.3
112.11273	2.3
115.03943	1.1
119.08633	2.5
121.10148	4.1
127.03908	7.5
131.08575	1.9
133.10179	2.3
135.11781	1.4
145.04962	4.9
145.10158	1.1
147.11723	1.7
163.53748	0.9
173.13306	1.2
177.05620	1.8
191.51660	0.8
244.73132	1.0
294.40311	1.0
316.29977	14.0
317.30203	1.5
334.31015	52.3
335.31287	5.9
352.32092	100.0
353.32431	8.2
496.36298	1.0
514.37769	3.7
556.68872	0.9
658.42041	4.3
676.42633	80.1
677.43219	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46793	1.7
70.16154	0.3
71.44843	0.3
80.25361	0.3
108.76305	0.3
136.25252	0.3
175.16425	0.3
185.04269	0.5
236.16066	0.3
320.15598	0.4
328.07980	0.3
347.09637	1.0
515.31921	22.4
516.32385	2.3
677.37140	100.0
678.37512	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07040	0.3
63.65709	0.2
74.43158	0.1
88.07537	0.3
105.03359	0.2
122.75256	0.2
173.09682	0.1
185.04295	0.9
193.04881	0.3
203.05278	1.7
256.26270	0.5
259.07837	1.2
305.08475	0.3
347.09464	1.4
365.10556	3.3
421.13022	1.3
438.48148	0.2
515.31915	22.1
516.32336	2.0
677.37146	100.0
678.07410	0.4
678.37482	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.1
57.03439	3.6
57.07067	6.4
61.02934	21.5
62.08710	3.9
67.05513	86.6
69.07066	12.7
71.29112	5.5
73.02924	6.3
79.05500	39.1
81.07063	93.6
83.08621	7.5
85.02921	21.4
91.03960	17.8
91.05492	20.8
93.07050	57.3
95.08618	66.2
96.08975	4.2
97.02881	10.0
97.06555	4.4
97.10211	5.0
105.07027	17.4
107.08617	31.2
109.10153	35.3
117.07024	10.9
119.08585	16.5
121.10151	35.0
123.11740	21.1
127.03933	10.7
131.08574	18.6
133.10146	13.5
135.11726	35.9
137.13252	7.8
138.15590	3.7
145.05019	7.9
145.10149	12.4
147.11668	11.7
149.13313	19.2
159.11699	13.0
161.13274	10.5
163.06015	11.0
163.14812	12.8
173.13301	16.2
177.16400	7.1
187.14825	8.9
241.76428	3.8
243.21165	30.2
261.22180	100.0
262.22589	5.8
279.23169	3.8
298.34869	4.4
335.25745	32.9
353.26944	33.5
359.64951	4.1
497.31094	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	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01882	1.2
55.05510	15.4
57.03434	5.1
57.07077	4.4
61.02925	30.6
65.03941	2.9
67.05503	79.7
68.05834	1.7
69.03419	4.0
69.07066	13.1
69.09875	6.0
69.10297	2.3
71.04990	2.9
71.08618	1.2
73.02913	10.0
75.04486	2.0
77.03918	1.6
79.05491	50.9
80.05843	0.8
81.03407	2.5
81.07054	87.0
82.07392	1.5
83.04956	1.7
83.08617	9.3
85.02903	29.0
85.06547	2.1
88.12943	0.9
91.03957	31.0
91.04534	2.0
91.05479	28.8
93.07041	64.2
94.07367	2.3
95.04979	3.5
95.08604	63.4
96.08933	0.9
97.02885	13.7
97.06536	3.4
97.10154	3.2
99.04462	1.3
99.08086	2.9
101.44073	1.0
105.04545	1.1
105.07031	21.8
106.07362	0.9
107.08595	43.8
108.08897	1.6
109.06523	2.1
109.10154	33.5
110.10528	1.1
111.08083	2.3
113.09657	1.4
115.03896	1.6
115.05486	0.9
117.06999	10.6
119.08576	19.9
119.16586	0.9
121.10143	41.0
122.10449	1.7
123.08065	1.7
123.11698	17.5
125.09592	1.1
127.03905	9.9
129.06976	1.5
131.08569	26.5
133.10124	17.6
133.11069	1.6
135.11691	32.8
136.11992	0.9
137.09616	1.9
137.13277	8.2
139.11182	2.2
143.08578	1.3
145.04942	12.7
145.10109	16.5
147.11688	13.8
149.13243	26.5
150.13567	1.4
151.11198	1.6
151.14848	2.5
153.12727	1.4
159.11699	15.9
161.13254	13.0
162.73691	0.9
163.06015	18.9
163.14803	16.8
164.15225	1.3
165.12766	2.9
173.13246	18.5
175.14848	3.9
177.12759	1.8
177.16365	5.1
179.14368	3.6
187.14825	10.7
191.14336	2.1
201.16360	3.6
205.15901	2.7
215.17990	1.7
219.17390	1.7
233.22633	3.3
243.21068	33.6
244.21417	1.9
261.22131	100.0
262.22421	6.9
263.23801	1.2
277.21622	1.2
279.23212	2.8
303.22827	0.9
317.24905	1.3
335.25800	15.2
336.26175	1.3
353.26834	25.5
354.27261	2.4
430.16507	1.8
442.91037	0.8
443.17169	1.8
444.18008	1.7
445.18893	7.6
445.24362	1.3
446.19006	2.1
456.17639	1.0
457.19119	1.2
458.19498	1.5
459.20367	1.3
467.17102	0.9
468.17889	1.3
469.18631	4.2
470.19559	1.5
471.16214	2.1
482.19775	1.4
486.18689	1.0
497.21887	1.7
497.29974	1.0
529.20605	1.1
541.20923	5.1
573.23248	1.7
617.22382	34.4
618.22675	9.0
645.11273	1.6
645.21783	20.3
646.21912	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
57.03446	2.1
60.05621	0.6
61.02927	6.1
67.05503	4.6
69.03434	3.3
69.07080	1.4
71.04983	0.8
73.02916	4.0
79.05492	3.5
80.47239	0.7
81.03441	1.6
81.07044	3.4
82.83207	0.8
83.08627	0.6
85.02898	5.1
91.03958	3.2
91.05507	1.8
93.07039	3.3
95.08613	10.9
97.02886	5.2
101.02389	1.5
105.03411	0.9
105.07045	1.1
105.85751	0.8
107.08627	2.0
109.10205	1.1
110.42117	0.6
111.99130	0.6
119.08601	1.2
121.10146	1.8
127.03948	1.6
135.11719	1.1
145.04991	0.8
149.06058	2.9
159.10220	1.0
168.05890	0.6
170.64438	0.8
184.07396	1.5
185.04126	0.7
193.04982	1.0
243.08456	1.4
256.26447	1.8
267.14908	2.1
399.16049	4.3
409.17844	1.1
437.09930	0.8
519.29364	9.6
605.36243	0.7
617.23431	1.6
677.38721	100.0
678.39056	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	677.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05508	1.2
57.03442	1.5
61.02926	4.4
67.05508	4.4
67.13135	0.4
69.03439	2.1
69.07064	0.9
70.06618	0.7
71.01373	0.6
71.30805	0.6
73.02917	4.1
79.05503	1.9
81.03423	1.7
81.06620	0.4
81.07043	2.6
85.02903	4.3
88.07643	0.6
91.03958	3.5
91.05503	0.8
91.17156	0.4
93.07044	2.7
95.08609	11.2
95.09164	0.9
97.02894	3.9
97.06524	0.4
99.04452	0.5
101.02403	1.3
103.03950	0.5
107.08595	1.3
109.02928	0.6
109.10201	0.6
119.08568	0.5
121.10124	0.9
127.03931	1.3
131.08612	0.7
159.10201	1.4
181.08359	1.0
185.04216	0.8
195.22038	0.5
215.12865	1.0
243.08417	1.3
256.26382	0.6
267.15024	3.0
289.13275	0.6
293.12805	0.7
399.16226	10.4
400.16788	1.0
409.17386	0.9
437.09396	0.6
465.03677	0.5
519.29333	6.0
617.24078	0.7
645.23328	0.7
649.26349	1.2
677.27649	5.0
677.38690	100.0
678.29327	0.7
678.39001	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01878	5.4
55.05505	28.2
57.03442	22.1
57.07073	10.4
67.05506	95.0
68.64063	4.1
69.03434	7.6
69.07065	65.3
69.16051	8.5
69.16460	23.1
71.04659	3.9
71.04999	25.0
71.08646	5.2
73.09378	3.6
79.05491	86.1
81.03410	18.0
81.07061	100.0
83.04984	13.3
83.08621	24.5
85.06532	6.9
86.09698	6.5
91.05473	59.9
93.07047	76.4
95.04971	26.3
95.08602	62.4
97.06535	84.0
97.10171	6.7
99.08082	4.8
105.07005	37.8
107.04948	9.9
107.08595	34.9
109.06515	21.0
109.10164	17.5
111.08096	6.7
113.05983	4.7
115.07576	29.6
117.06994	20.4
119.08564	37.5
121.06479	5.9
121.10126	35.3
123.08076	9.6
123.11700	6.6
128.06134	3.9
129.07002	8.8
131.08571	30.6
133.10159	19.8
135.08090	12.0
135.11705	14.2
143.08554	6.7
145.10117	15.5
147.11699	11.2
149.13298	16.5
157.10123	9.7
159.11674	20.6
161.09529	5.5
171.11726	8.1
175.11282	10.4
177.12773	6.2
184.07367	18.9
193.12196	5.9
195.13817	5.1
199.14781	6.7
217.15800	5.2
218.59802	4.4
261.22165	9.2
269.17432	8.7
273.18512	17.4
282.98792	4.9
291.19519	12.0
313.27411	4.7
335.25781	60.7
336.26218	5.3
347.25827	9.2
348.26160	9.6
365.23123	4.7
395.06540	4.7
506.03900	4.5
529.39001	26.1
607.44250	4.5
625.44110	6.6
679.47852	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	679.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.03461	0.4
55.01871	0.4
55.05510	0.3
56.05021	1.1
60.04523	1.3
61.02915	1.0
68.05019	0.8
69.03419	2.7
69.08358	1.5
69.08775	0.8
70.06586	2.1
71.04980	0.6
72.08156	0.3
80.05009	1.2
81.03409	3.0
82.06561	0.5
83.01305	0.3
83.04977	0.6
84.04499	25.1
84.08144	0.6
85.02887	0.3
86.09697	0.5
96.04487	16.7
97.02883	3.1
98.06050	7.3
99.04439	1.7
99.58803	0.3
100.03951	0.4
101.02365	0.3
102.05531	3.3
107.90823	0.3
108.04451	0.7
109.02871	4.7
110.06052	0.6
111.83080	0.3
114.05518	0.8
116.07085	3.4
124.03929	0.5
126.05509	34.5
127.03886	2.0
127.05842	0.8
129.10178	0.3
130.05006	3.4
138.05493	100.0
139.05841	2.8
140.07079	0.3
144.06552	24.0
145.06882	0.7
148.06036	16.3
149.06462	0.4
150.05466	0.7
162.07564	0.6
168.06552	18.8
169.06938	0.3
177.31848	0.3
186.07603	17.9
187.07982	0.6
204.08661	28.0
205.08977	0.9
222.09711	0.9
230.10178	0.6
256.14319	0.4
258.09921	0.6
273.10825	0.6
291.11850	7.9
292.12244	0.4
301.13931	10.6
301.17389	0.6
302.14276	0.5
329.13397	23.6
330.13748	1.5
347.14365	1.2
458.17752	0.5
476.18726	3.2
496.19083	0.7
532.21149	0.6
679.36267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61960	1.1
53.03949	1.9
55.05518	20.6
55.21656	1.2
56.97114	1.1
57.03438	8.0
57.07082	10.8
61.02928	17.0
62.83321	1.0
65.03949	1.5
67.05508	81.7
68.85150	1.3
69.03438	2.9
69.07066	28.8
69.12492	10.3
70.73650	1.2
71.04984	3.0
71.08633	5.8
73.02928	7.2
75.04491	2.0
79.05493	22.6
81.03414	2.4
81.07060	100.0
81.31816	1.0
82.07395	2.5
82.12443	1.2
83.04978	2.8
83.08622	19.6
85.02908	19.3
85.06550	2.1
85.10188	4.4
91.03963	18.5
91.05473	16.8
93.07044	27.2
95.04966	1.1
95.08609	84.1
96.08989	1.5
97.02889	8.3
97.06518	7.2
97.10168	14.7
99.08102	5.1
105.07028	12.9
107.08592	17.0
109.10162	40.4
111.08078	3.1
111.11734	4.4
113.09671	3.3
117.07092	1.5
119.08586	13.7
121.10147	23.5
123.08097	1.6
123.11713	22.5
125.09657	2.2
125.13306	2.8
127.03925	6.1
133.10126	16.9
135.11673	13.1
136.17241	1.3
137.09637	2.5
137.13248	9.4
139.11281	1.3
141.12752	3.8
145.04955	5.4
147.11668	12.7
149.13278	14.2
151.14815	5.9
153.12814	1.2
155.14320	3.7
161.13274	15.9
163.05969	10.0
163.14813	11.7
165.12743	1.4
165.16426	11.8
167.14302	1.7
175.14838	13.1
179.14262	1.8
179.17909	6.6
181.15823	1.9
189.16377	4.9
193.15981	1.5
203.17863	1.7
217.19576	1.7
245.22646	63.4
246.23022	4.3
254.84741	1.3
256.26321	1.6
263.23709	86.4
264.23984	4.9
265.25314	1.5
281.24576	1.5
337.27362	66.4
338.27722	5.2
355.28510	7.6
411.18704	1.3
432.56982	1.3
467.67178	1.4
499.32690	4.7
678.55273	2.6
679.54736	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	679.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
53.30400	1.0
55.01872	1.1
55.05519	19.8
57.03429	4.3
57.07080	13.0
61.02938	25.3
65.03935	2.8
66.93884	1.0
66.94292	1.2
67.05514	82.4
68.05836	1.2
69.03439	3.2
69.07076	24.3
71.05002	2.4
71.08653	7.4
71.29653	1.1
73.02920	8.4
79.05502	23.9
81.07068	100.0
82.07409	2.4
83.04961	1.4
83.08629	20.1
85.02910	26.4
85.06557	2.4
85.10190	3.5
91.03975	29.9
91.05492	15.4
93.07057	27.3
95.08620	82.9
96.08988	2.1
97.02908	11.2
97.06549	6.6
97.10170	14.5
99.08112	4.1
100.11262	1.4
105.07050	11.5
105.36993	1.2
107.08605	17.2
109.06520	1.2
109.10175	43.4
109.10925	2.4
111.08099	3.8
111.11762	3.5
113.09702	2.4
115.03933	1.1
119.08599	11.3
121.10166	22.9
123.11730	20.8
125.09718	2.4
125.13261	1.8
127.03930	9.9
127.11221	1.9
133.10147	16.3
135.11693	13.0
137.13269	8.5
138.87793	1.1
141.12756	4.3
145.04990	12.1
147.11711	9.9
149.13275	12.7
151.11205	1.7
151.14864	7.4
153.12686	1.0
155.14323	4.6
161.13304	14.1
163.06038	16.8
163.14836	12.4
165.12828	1.7
165.16423	9.6
167.14279	1.4
175.14838	12.5
177.16443	2.7
179.14127	1.8
179.17993	8.6
181.15898	3.1
189.16371	6.0
192.49655	1.1
193.15926	1.8
197.39380	1.2
207.17485	1.3
217.19601	2.8
245.20569	0.9
245.22670	71.6
246.23019	4.8
263.23746	87.4
264.24103	6.7
265.25327	3.1
281.24875	1.9
297.87210	1.2
337.27402	42.5
338.27847	4.3
341.54895	1.1
355.28564	3.9
448.46161	1.1
481.31714	1.4
679.51172	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	679.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05513	4.3
57.03444	1.6
57.07071	0.8
61.02920	4.8
67.05501	4.1
69.03441	2.3
69.07085	1.6
71.08625	1.0
72.31601	0.7
73.02926	3.9
79.05488	3.5
81.03421	1.3
81.07061	3.7
83.08620	2.0
85.02903	4.8
89.06024	1.8
91.03961	3.0
91.05499	2.1
93.07061	2.5
95.08611	1.9
97.02874	5.3
97.10174	4.7
101.02364	1.6
107.08609	2.5
109.02883	1.1
109.10144	1.0
110.91982	0.8
121.10183	1.2
125.09652	3.0
127.03918	1.6
128.00679	0.8
133.08635	1.1
143.16205	0.7
145.10143	0.7
176.59151	0.7
201.23869	0.7
214.63403	0.7
217.14333	1.8
361.60025	0.8
401.17838	10.3
455.78568	0.9
519.29321	5.8
679.40186	100.0
680.28772	1.0
680.40588	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	679.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05513	4.3
57.03444	1.6
57.07071	0.8
61.02920	4.8
67.05501	4.1
69.03441	2.3
69.07085	1.6
71.08625	1.0
72.31601	0.7
73.02926	3.9
79.05488	3.5
81.03421	1.3
81.07061	3.7
83.08620	2.0
85.02903	4.8
89.06024	1.8
91.03961	3.0
91.05499	2.1
93.07061	2.5
95.08611	1.9
97.02874	5.3
97.10174	4.7
101.02364	1.6
107.08609	2.5
109.02883	1.1
109.10144	1.0
110.91982	0.8
121.10183	1.2
125.09652	3.0
127.03918	1.6
128.00679	0.8
133.08635	1.1
143.16205	0.7
145.10143	0.7
176.59151	0.7
201.23869	0.7
214.63403	0.7
217.14333	1.8
361.60025	0.8
401.17838	10.3
455.78568	0.9
519.29321	5.8
679.40186	100.0
680.28772	1.0
680.40588	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	680.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.95027	0.8
56.05036	1.7
57.03427	2.5
58.06605	0.8
60.23175	0.6
61.02913	2.0
69.03428	11.3
70.06597	20.4
71.04994	5.0
71.29333	0.8
72.08149	4.0
73.02927	4.1
74.06087	0.9
80.58114	0.7
81.03417	14.6
83.01329	0.9
83.04986	1.3
83.21292	0.7
84.04503	2.5
84.08154	6.9
85.02906	64.4
86.03249	1.8
86.09701	6.0
87.04461	1.3
87.05611	0.8
89.03905	2.9
91.03928	1.1
91.05484	0.9
94.89502	0.7
97.02898	34.3
98.03226	0.9
98.06050	1.2
99.04454	43.8
102.05579	0.7
103.03941	77.2
104.04273	1.5
109.02876	17.9
109.03581	1.3
109.13409	0.7
110.07175	2.3
114.09145	0.9
115.03928	1.3
115.08704	1.5
117.03407	6.5
120.08111	2.4
122.48473	0.7
126.05493	0.8
127.03917	100.0
128.04274	2.6
128.10657	1.1
129.10220	5.7
130.06506	1.0
136.07574	2.7
145.02888	17.3
145.04955	61.9
146.05296	2.5
149.05984	2.4
163.03880	1.7
163.06024	45.4
169.05000	1.8
177.05469	46.1
178.05846	1.9
187.06061	4.5
195.06563	2.5
199.06032	1.1
205.07059	3.1
208.56891	0.7
218.29720	0.8
231.53810	0.8
235.11731	0.8
253.07262	1.7
271.08096	10.7
285.07611	1.0
289.09195	9.6
307.10291	12.0
307.35254	0.9
321.09909	0.7
427.07202	0.9
483.14877	1.8
626.50781	0.9
679.86340	1.1
680.37378	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	680.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89759	14.5
57.07083	35.0
69.26108	100.0
70.52429	16.7
84.19468	14.1
98.23413	29.0
101.85011	15.0
112.75353	14.6
327.07767	66.5
383.14072	42.8
399.02100	16.9
439.20306	62.6
495.26431	50.8
551.32782	56.0
607.39227	66.7
663.44666	22.4
686.10767	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33293	2.9
51.36129	3.1
53.03950	4.5
53.05412	3.1
53.46030	3.6
54.29892	3.1
55.01873	7.5
55.05509	37.4
57.03431	16.4
57.07067	4.2
59.05000	5.5
65.03931	6.7
67.05503	100.0
69.07069	25.6
69.38725	14.4
69.39124	6.6
71.04988	5.6
71.08646	3.7
79.05490	65.8
80.84471	3.0
81.07052	88.7
83.04987	5.2
83.08610	16.0
91.05488	43.3
93.07043	66.0
95.04964	6.5
95.08601	53.7
97.06519	6.2
97.10172	10.2
105.07034	28.5
107.05003	3.8
107.08592	37.8
109.06522	5.0
109.10154	46.2
111.08070	7.4
117.07003	15.3
119.08600	21.4
121.10135	17.2
123.11663	7.1
125.09660	9.0
129.07027	5.1
131.08556	14.5
133.10107	18.2
135.08057	5.1
135.11714	12.6
145.10132	14.3
147.11731	12.2
149.13280	11.2
157.10130	4.3
159.11703	7.0
161.13274	6.7
163.11307	3.5
173.11818	7.8
173.13177	7.0
175.14848	3.9
189.11288	5.2
209.55539	3.1
227.12807	10.1
229.14342	37.9
243.21170	4.5
251.04874	3.3
257.19058	5.7
261.22192	10.5
269.17435	13.1
275.20035	21.7
335.25803	88.3
349.23767	13.4
367.24817	10.9
489.35751	20.2
490.36374	5.1
529.39087	23.2
530.39130	7.0
569.41852	13.1
609.44812	11.2
627.45923	5.5
680.41266	5.2
681.42957	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	681.3825
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
52.87072	0.6
53.03933	0.5
55.05507	1.0
56.05018	0.8
60.51425	0.5
66.32104	0.5
70.06601	3.6
70.65259	1.3
71.52476	0.5
72.08154	21.8
73.08481	1.4
75.51398	0.6
79.05485	0.7
81.07052	0.8
83.04964	0.6
83.08689	0.6
84.08150	1.5
85.02901	1.2
85.14460	0.5
86.09708	1.4
91.05518	0.5
93.07049	0.9
94.75514	0.5
95.08603	0.6
100.11275	0.7
105.07034	0.8
108.08060	0.8
109.02910	0.9
109.10159	0.6
110.09620	0.6
117.73621	0.6
121.10150	0.8
123.11744	0.7
127.03886	1.0
136.07539	0.6
146.30971	0.6
163.03867	0.6
173.05757	0.9
179.10516	0.7
184.17052	0.5
185.04225	0.9
187.07462	0.6
207.09892	1.5
221.11571	0.7
231.09888	5.4
232.10515	0.7
263.16089	0.7
291.23111	1.6
305.24457	0.9
307.22736	0.7
322.10156	0.6
331.22485	0.9
333.23956	1.5
335.21890	4.7
344.19696	1.2
345.20413	0.9
349.23486	1.1
380.13345	0.6
401.26398	0.7
438.31186	1.0
456.32068	15.0
456.37891	1.1
457.32739	3.7
472.31552	5.1
473.32172	2.3
482.30261	3.8
483.30737	3.5
500.31119	14.0
501.31772	8.4
502.32379	0.6
507.26007	1.8
518.35547	1.8
519.32391	1.9
619.38147	13.2
620.38440	2.0
635.37439	5.8
645.36334	4.5
646.36005	1.1
658.32928	0.6
663.37067	63.5
664.37506	11.6
681.38159	100.0
682.38446	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.3
55.01825	1.3
55.02057	0.5
55.05452	2.0
56.04983	1.1
57.03374	8.0
57.03673	0.7
58.06540	4.4
61.02879	0.5
65.03873	1.5
67.05441	5.5
69.03358	5.1
69.07007	2.3
70.06584	7.8
70.64660	1.1
71.04920	1.8
72.08085	22.7
72.08528	1.4
73.02870	0.9
75.04414	1.2
79.05493	3.8
81.03423	4.7
81.06979	4.1
82.06539	0.6
83.04932	1.1
83.08557	1.1
83.09058	0.4
84.08147	2.6
85.02904	9.1
85.06494	1.1
86.05995	1.3
86.09705	3.2
91.05477	34.6
91.06001	1.4
92.05791	0.9
93.07040	6.1
95.04897	1.4
95.08606	9.1
96.08053	1.5
96.08672	0.4
96.88670	0.5
97.02884	5.5
97.06528	6.3
98.09637	1.0
99.04445	6.7
100.07608	4.7
100.11229	0.9
101.08337	1.3
103.03936	4.1
105.07022	5.7
107.08584	2.4
108.08070	0.7
109.02870	4.6
109.10064	1.6
110.09615	1.4
111.07992	2.0
115.05431	3.5
117.07015	23.9
118.07243	0.8
119.08494	1.2
120.08035	1.3
121.06451	0.5
121.10064	1.8
122.09557	0.7
123.08033	1.1
124.11227	6.6
127.03915	10.4
128.06137	1.1
128.10606	1.8
129.06171	0.5
129.06990	6.5
129.10120	0.8
131.08572	7.1
132.23566	0.4
133.10130	3.0
135.08052	0.5
135.11612	1.3
140.10782	0.5
141.06982	15.2
142.07350	0.6
143.08559	4.5
144.10176	0.5
145.02779	0.7
145.04945	2.8
145.10049	1.8
147.11667	0.7
149.09593	1.0
151.11104	0.5
154.39223	0.4
155.08551	2.8
157.10110	8.7
163.03909	2.4
167.08476	0.9
169.10028	1.7
171.11586	1.2
173.13089	1.0
177.05411	0.8
181.10048	1.6
183.11696	7.1
183.14850	0.5
184.11908	0.6
185.13100	0.5
187.06000	0.5
193.10049	0.6
195.11526	0.9
197.13022	0.7
201.12558	0.7
207.11639	1.0
221.13263	0.9
223.14790	0.8
271.07913	0.7
277.19431	0.7
295.20477	1.7
305.24551	0.5
313.21649	0.5
314.24658	0.7
323.25742	0.5
340.26318	6.1
341.26462	0.6
357.21570	0.6
358.27368	100.0
359.27698	9.8
376.28430	58.7
377.28772	5.8
520.25323	0.7
566.41217	0.6
598.48340	0.5
664.36157	1.1
682.37982	47.1
683.22571	1.1
683.39630	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	682.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.05524	0.5
56.05031	1.2
57.03438	0.5
57.05806	0.7
58.06597	0.6
67.05515	0.6
69.03423	0.4
69.07079	0.5
70.06596	5.0
71.05003	0.3
71.06941	0.3
71.07344	0.5
72.08157	100.0
73.08495	1.3
79.05480	0.8
81.03416	0.9
81.07066	1.2
83.08643	0.4
84.04518	0.3
84.08140	1.2
85.02908	1.6
86.09724	0.9
91.05480	3.5
93.07062	1.0
94.06591	0.3
95.08604	1.3
96.08138	0.7
96.38433	0.2
97.02892	0.7
97.06535	0.6
99.04457	0.6
100.07607	0.6
103.03947	0.5
105.07040	0.7
107.08618	0.6
109.02898	0.6
109.10159	0.5
110.05984	0.2
110.09711	0.4
115.05468	0.4
117.07018	2.9
119.08578	0.4
120.08104	0.6
121.10161	0.4
122.09684	0.3
123.08141	0.2
123.11748	0.3
124.11235	2.2
127.03961	1.2
128.10658	0.3
129.07022	0.7
129.10240	0.4
131.08582	0.7
133.10139	0.3
135.11725	0.3
137.06084	0.2
141.06996	1.7
143.08583	0.5
145.02878	0.4
145.04991	0.3
145.10158	0.4
157.10155	0.8
159.11731	0.2
163.03882	0.8
177.05550	0.7
182.04620	0.2
183.11737	1.0
233.11655	0.2
305.24954	0.2
340.26132	1.1
358.27365	7.7
359.27957	0.7
359.41837	0.2
376.28391	2.1
394.93213	0.2
501.01529	0.2
664.37463	0.5
682.37952	42.9
683.38885	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	682.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75876	0.4
52.43764	0.4
53.03950	0.6
55.03878	0.4
55.05515	0.8
56.05037	1.8
57.03445	0.5
57.05825	0.8
62.15587	0.4
67.05504	0.5
69.03433	1.4
69.07077	0.6
69.85787	1.5
69.86182	0.7
69.89767	0.4
70.06593	4.1
72.08160	100.0
73.08487	1.6
77.09487	0.4
79.05495	1.1
79.14787	0.4
80.50115	0.4
81.03416	1.7
81.07070	1.4
82.06584	0.4
84.08160	1.7
85.02893	2.0
86.09715	1.1
91.05501	1.0
93.07067	0.8
95.08629	1.2
97.02921	1.2
99.04465	2.7
103.03948	0.9
105.07047	0.8
107.04939	2.6
107.08580	0.5
109.02914	1.5
109.10192	0.5
110.58175	0.4
119.08670	0.6
124.11227	2.2
125.05954	0.4
127.03940	4.0
133.06494	0.5
137.06079	0.5
137.09627	0.5
145.04974	0.8
145.10173	0.6
163.04005	0.5
177.05577	0.6
242.99248	0.5
301.34479	0.4
309.67538	0.5
355.44000	0.5
358.27725	0.8
376.28470	4.4
378.68692	0.5
379.34158	0.4
660.31824	0.5
664.37164	0.6
682.38074	50.2
683.39435	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	682.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01870	1.2
55.05512	2.0
56.05029	2.7
57.03431	6.5
57.05819	1.0
58.06608	2.7
60.04531	0.7
61.02932	2.8
65.03922	0.6
66.18643	0.6
67.05507	5.8
69.03431	10.4
69.07075	2.6
70.06593	26.2
71.04999	3.5
71.06961	1.1
71.07352	0.5
71.30484	0.8
72.08154	100.0
73.02916	1.5
73.08485	2.6
74.06082	0.5
79.05511	3.4
81.03418	4.5
81.07061	10.6
83.04984	1.2
83.08603	1.0
84.04510	2.0
84.08141	10.8
85.02905	24.6
85.06552	1.6
85.08467	1.0
86.03236	0.5
86.06075	0.6
86.09705	9.7
87.04485	2.4
87.05592	0.5
87.10058	0.9
91.03939	1.0
91.05470	2.9
93.02631	0.5
93.07046	4.4
95.05001	2.4
95.08601	10.3
95.09156	0.9
96.08141	1.0
97.02897	8.9
97.06524	3.0
98.06068	1.1
99.04459	2.8
99.08084	0.8
100.07637	1.6
101.02408	0.8
101.08428	0.8
102.05558	1.4
102.09168	0.6
103.03969	1.4
105.07051	2.0
107.08602	2.0
109.02883	4.3
109.08865	0.6
109.10150	1.2
110.07180	1.6
110.09701	0.8
111.08121	1.0
113.07073	0.5
114.09156	0.8
115.03975	0.5
115.08738	0.8
116.07106	0.7
119.04911	0.6
119.07722	0.6
119.08540	2.8
120.08112	4.0
121.10152	2.9
122.09682	0.8
123.08105	0.6
123.11731	1.4
124.11235	5.1
126.05503	0.6
127.03915	6.6
127.08685	0.6
128.10695	0.5
129.10220	3.5
131.08499	0.5
133.10187	0.5
135.11714	1.6
136.07613	2.1
137.05927	0.7
138.12750	0.6
145.02858	0.6
145.04947	3.4
145.10101	0.7
147.04436	1.0
147.11696	2.7
155.08151	1.1
161.13330	0.9
163.03925	1.0
163.05983	0.5
165.12746	0.7
166.08670	0.6
173.12912	1.9
177.05482	1.3
183.11359	0.6
200.13939	0.5
201.12376	1.1
203.10324	1.2
218.87325	0.5
219.17479	0.6
225.01479	0.5
252.78664	0.5
260.69901	0.5
322.27509	1.6
340.28467	10.8
340.32440	0.8
341.28937	0.9
351.19095	0.7
358.29495	85.7
359.29828	7.1
376.30447	0.8
502.33801	1.0
520.27448	0.4
520.34814	12.1
521.34955	1.5
664.38885	3.0
677.12506	0.6
682.40088	75.4
683.40503	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	682.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01856	0.3
55.05495	0.4
56.05038	1.4
57.03423	0.7
57.05814	0.7
58.06592	0.4
61.02921	0.4
61.81056	0.2
67.05495	0.9
69.03426	1.7
69.07069	0.4
70.06589	7.6
70.65147	0.3
70.65468	0.4
71.04980	0.4
72.08151	100.0
73.02906	0.4
73.08482	1.4
79.05492	0.4
81.03405	1.0
81.07040	1.2
84.00829	0.2
84.04486	0.3
84.08135	3.1
85.02906	4.0
85.06542	0.4
86.09704	1.7
87.04489	0.3
91.05495	0.4
93.07046	0.8
95.04987	0.5
95.08582	1.1
96.08120	0.5
97.02895	1.5
97.06515	0.3
99.04456	0.7
101.02405	0.2
102.09133	0.2
103.03915	0.3
105.07054	0.3
107.04902	0.2
107.08632	0.3
108.08051	0.2
109.02908	0.5
109.06509	0.2
109.10136	0.4
110.07153	0.8
115.08681	0.2
117.03327	0.2
118.86613	0.2
119.08525	0.2
120.08109	0.9
121.10178	0.4
122.09631	0.2
124.11227	1.5
127.03915	1.6
127.08678	0.5
127.69949	0.2
128.10756	0.4
129.10240	0.6
136.07590	0.7
137.06004	0.5
145.02878	0.4
145.04984	0.6
147.04398	0.3
147.11745	0.3
175.07585	0.3
177.05444	1.3
179.51329	0.2
185.09355	0.2
210.21490	0.2
340.28394	2.0
351.19299	0.4
358.29504	7.0
359.29883	0.4
468.23187	0.3
520.34851	0.7
574.11615	0.2
614.85547	0.3
664.39130	0.6
682.40057	50.7
683.40375	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	683.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	7.1
69.00185	3.2
69.44971	4.1
70.18498	3.4
81.07043	6.9
84.05175	3.7
95.08583	4.3
97.32980	3.7
122.88529	3.7
133.84468	4.7
145.46831	3.7
149.69052	4.9
151.60220	3.9
408.53244	4.8
665.45044	4.8
683.42706	100.0
684.42651	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04860	3.9
54.86913	4.5
60.45326	4.1
63.80391	5.3
81.07087	5.3
98.23347	12.5
135.42833	4.1
150.58456	4.7
169.72403	4.5
508.67352	5.4
622.01617	5.8
641.81360	4.8
683.42828	100.0
684.43085	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	684.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01868	1.0
55.05503	2.6
56.05022	1.0
57.03440	3.4
58.06609	4.6
58.70219	0.4
65.03944	1.9
67.05508	5.9
69.00684	1.0
69.01089	3.6
69.03423	3.2
69.07062	2.1
70.06216	0.5
70.06593	9.8
70.06963	0.8
71.04996	1.4
71.07362	0.5
72.08155	34.3
73.04760	0.9
73.08495	1.1
75.04485	0.5
79.05492	6.4
81.03418	2.3
81.07056	20.4
83.04977	0.7
83.08607	0.6
83.50574	0.5
84.04536	0.5
84.08141	7.2
84.08616	0.6
85.02898	5.5
85.06528	0.5
85.08922	3.5
86.09698	4.1
91.05464	27.1
91.77527	0.4
92.05822	0.7
93.07042	3.2
95.04954	0.8
95.08601	12.3
96.08135	0.8
96.08928	0.6
97.02889	2.7
97.06532	1.2
98.09689	6.1
99.04455	4.2
103.03940	3.2
103.05441	0.5
105.03394	0.8
105.07037	3.8
107.08615	1.6
109.02887	2.3
109.10171	1.0
110.07159	0.9
110.09734	0.7
111.08141	0.8
112.11250	0.7
115.05471	3.9
117.07017	21.0
117.43581	0.4
118.07359	1.0
119.08572	1.1
120.08136	1.7
121.10175	1.1
123.08029	0.5
123.11717	0.4
124.11262	2.1
126.12841	0.5
127.03912	7.0
128.06226	1.6
128.10716	0.9
129.07002	5.8
129.10287	0.5
131.08560	7.9
133.06519	0.7
133.10155	0.8
135.11743	0.5
136.07584	0.7
141.06987	13.4
143.08549	4.2
143.09532	0.5
145.04967	1.2
145.10118	1.0
147.04408	0.6
149.13367	0.8
155.08528	3.2
157.10104	4.4
159.11752	0.5
167.05640	0.6
168.09309	0.9
169.10100	1.1
173.13182	0.6
177.05447	0.6
181.10135	1.1
183.11690	5.4
185.13203	0.6
187.06151	0.6
196.16980	2.7
197.13205	0.7
201.12654	0.8
223.14989	0.8
225.04350	0.5
239.09496	0.5
285.09671	0.6
297.22171	0.7
329.08408	1.0
342.27899	49.5
343.28220	5.0
345.07962	0.5
347.09772	1.0
355.06979	1.1
359.02820	0.8
360.28937	42.1
361.25031	0.7
361.29251	3.9
378.26297	0.8
378.30228	5.8
429.09302	0.7
504.33862	0.6
521.34137	1.6
522.26849	0.5
522.35217	1.4
604.38623	2.3
604.47656	0.5
606.36450	2.1
622.39594	1.6
649.32336	0.8
666.38678	11.8
666.86298	0.6
667.33228	3.4
684.39642	100.0
685.33923	7.4
685.40253	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	684.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.01300	0.6
55.01876	2.2
55.05523	2.8
56.05048	1.3
57.03444	5.2
57.07061	0.6
58.06595	2.7
60.04533	0.7
61.02927	4.0
67.05506	7.0
69.03433	17.6
69.07061	3.9
70.06596	22.1
71.01337	0.9
71.04974	4.1
71.06939	1.0
71.07355	0.8
71.29944	0.6
72.08157	45.1
73.02908	3.0
73.04761	1.1
73.08513	2.8
73.32162	0.5
79.05482	4.4
81.03419	5.9
81.07053	21.2
81.07528	1.2
83.04993	0.9
83.08633	1.6
84.04524	2.5
84.08146	6.8
85.02906	33.6
85.06551	2.3
85.08949	1.8
86.03230	0.7
86.09707	9.1
87.04464	3.5
89.03945	1.1
91.03970	1.5
91.05492	2.3
93.07054	2.4
94.06615	0.5
95.04989	1.4
95.08611	13.6
96.08099	0.6
97.02893	14.2
97.06554	1.2
98.09704	2.1
99.04457	2.7
99.08085	0.7
101.02412	0.9
101.07153	1.9
103.03964	1.6
105.07048	2.4
107.08601	1.9
109.02879	3.8
109.10161	0.8
110.07204	0.9
115.03980	0.6
117.03413	1.4
119.08607	1.9
120.08124	2.5
121.10163	2.5
124.11256	1.2
127.03911	8.2
129.10229	4.5
135.04437	3.9
135.11736	1.4
136.07506	0.7
138.09271	0.7
145.02859	2.4
145.04936	3.0
147.11659	3.0
155.08246	1.1
163.02525	1.2
163.03902	22.2
164.04257	1.4
165.12793	1.8
173.09198	0.8
183.11404	0.9
183.15005	1.6
201.12427	1.7
211.14436	1.5
229.12033	0.8
279.22998	0.7
324.28995	4.2
328.22482	2.4
342.30029	37.0
343.30469	2.8
358.29684	1.4
359.30252	1.4
360.31064	49.5
361.31436	3.0
384.31161	0.8
504.35376	5.5
522.36444	13.5
523.36505	1.0
578.17480	0.6
655.12762	0.8
666.40411	9.6
667.41449	1.0
684.41571	100.0
685.42334	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
57.03431	0.9
57.07070	0.9
57.13940	0.8
59.87657	0.7
67.05502	5.2
69.07051	1.6
69.18410	6.9
69.90086	0.9
73.62749	0.8
79.05479	1.8
81.07050	4.4
83.08582	1.0
91.05423	1.3
93.07073	2.3
95.08620	2.8
104.69195	0.8
105.07069	1.9
107.08585	1.7
109.10156	2.1
119.08559	1.3
121.10126	1.3
197.11531	1.0
306.13354	0.9
324.33112	0.8
326.25708	0.9
335.26120	1.2
351.21417	8.9
407.24210	6.8
625.26617	1.5
675.44995	1.1
685.46454	100.0
686.47168	13.5
693.25928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01851	0.6
57.03442	1.1
61.02924	2.2
65.03937	0.8
65.29736	0.4
69.03426	5.0
69.71951	1.4
69.72351	0.9
70.06583	1.0
71.04987	0.8
72.08152	0.4
73.02895	0.6
79.05499	0.5
81.03410	2.4
85.02904	18.0
87.04460	0.7
89.03905	3.4
91.03969	1.0
91.05467	6.3
92.33762	0.4
95.04976	0.5
97.02889	6.2
99.00800	0.7
99.04440	1.0
100.47533	0.4
107.04965	1.9
109.02886	2.2
117.03356	5.3
119.04085	1.0
119.04938	18.5
120.05270	0.7
123.04435	1.3
127.03922	4.2
135.04405	11.7
136.04770	0.7
139.03922	0.6
144.06561	0.8
145.02853	10.1
145.04900	5.4
147.04402	99.6
148.04720	2.7
161.06020	0.7
162.07645	1.7
163.03897	100.0
164.04205	3.6
165.05469	48.2
165.06606	0.9
166.05817	1.3
173.86412	0.5
180.08652	4.2
181.04947	38.1
182.05292	1.3
183.08084	0.5
229.08615	2.4
253.08513	0.7
253.86739	0.4
261.05890	0.6
263.07010	0.8
281.08234	0.8
309.06924	0.5
309.09924	1.2
325.09076	0.9
327.08633	0.8
362.12302	0.8
686.40540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52952	0.2
53.03944	0.6
55.01872	0.8
56.05033	0.3
57.03431	0.4
58.77856	0.2
61.01114	0.2
61.02916	0.9
69.03423	2.4
69.73069	0.7
69.73479	0.6
70.06592	4.8
71.01336	0.4
71.06928	0.2
72.08138	1.4
73.02908	0.4
73.61880	0.3
79.05497	0.3
81.03412	1.9
84.04484	0.8
84.08139	2.5
85.02901	8.1
86.09709	2.2
89.03916	0.3
91.03981	0.3
91.05475	9.6
92.05771	0.4
95.04945	0.7
97.02891	2.8
98.23308	0.5
99.00810	11.6
99.04432	0.4
102.05518	0.3
107.04949	11.0
108.05285	0.3
109.02881	5.4
110.07127	0.6
111.04402	0.3
112.08690	0.3
113.06017	0.3
115.05486	0.4
117.01848	4.9
117.03386	0.3
119.04938	25.3
120.05681	1.5
121.02860	0.9
121.06509	2.8
123.04427	2.6
126.20069	0.3
127.03905	2.4
129.10239	1.9
135.04407	10.8
136.05119	0.4
136.07565	0.7
141.06958	1.1
145.04939	2.2
145.06439	0.4
147.04388	1.5
153.06992	1.7
155.08554	2.2
156.07649	0.3
156.08926	0.3
159.04329	0.3
161.05931	0.6
162.07628	0.5
163.03935	1.2
163.06000	0.8
165.05548	0.6
165.06972	7.2
169.09711	0.3
171.11217	0.3
179.08633	0.3
180.08646	0.9
181.05028	0.3
181.06529	0.7
183.08052	14.3
184.08405	0.7
187.03992	0.3
187.07228	0.3
189.05423	0.5
189.06960	0.4
193.06432	1.1
193.07858	0.5
201.09067	0.6
207.08009	2.8
211.07536	9.8
217.06569	0.3
221.05901	0.3
225.09100	0.3
228.07739	1.0
229.08582	100.0
230.08931	5.4
233.04378	0.5
235.07530	5.9
236.07938	0.4
239.07144	0.7
243.04982	0.4
253.08614	3.4
254.09029	0.3
261.06055	0.4
263.07010	11.8
264.07419	1.0
281.08057	11.1
282.08359	0.6
291.06451	3.5
292.07169	0.5
309.07547	16.8
310.07986	1.2
327.04739	0.5
327.08609	8.2
327.19977	0.4
328.08911	0.7
345.05936	0.5
345.09671	2.3
373.17407	0.3
686.39648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01866	1.0
57.03428	1.0
60.04507	0.3
61.02922	1.7
65.03951	0.4
69.03143	0.3
69.03432	3.9
69.28072	1.7
69.28480	0.6
70.06593	7.8
71.01339	0.6
72.08158	1.8
73.02927	0.5
73.08655	0.3
73.61096	0.3
74.06086	0.5
79.05496	0.5
81.03423	2.2
83.01325	0.4
84.04508	0.6
84.08149	1.5
85.02905	14.7
86.09712	1.6
87.04453	0.3
89.03897	0.4
91.05472	11.3
95.04954	1.0
97.02897	4.3
99.00810	9.4
99.04475	0.5
101.02377	0.3
102.05522	0.4
103.05466	0.4
107.04955	13.0
109.02873	6.3
110.07145	0.5
111.04459	0.3
115.05447	0.6
117.01847	2.9
117.03341	0.5
119.04942	29.0
120.05806	2.6
121.02876	1.3
121.06509	3.1
123.04413	3.2
127.03921	4.4
129.10236	1.4
131.33853	0.3
135.04413	14.2
136.04936	0.3
136.07550	0.5
141.06953	0.9
145.02840	1.2
145.03851	0.4
145.04951	5.1
147.04404	11.3
148.04726	0.4
153.07024	1.8
155.08551	2.6
159.04393	0.6
160.05232	0.5
161.06050	0.7
162.07605	0.6
163.03909	11.6
163.05951	1.8
165.05508	2.0
165.06990	7.2
167.08244	0.3
168.05745	0.5
169.06468	0.5
179.08560	1.1
180.08630	1.1
181.05043	1.4
181.06395	0.6
183.08055	16.9
183.14893	0.9
184.08482	1.0
189.05443	0.5
189.07014	0.8
190.07291	0.3
193.06204	1.5
193.07896	0.5
197.06015	0.5
201.09067	0.8
207.08055	4.2
208.08510	0.4
211.07536	11.1
212.07758	0.6
218.07233	0.6
221.05966	0.4
225.09113	0.6
228.07838	1.8
229.08589	100.0
230.08923	5.6
233.04436	1.2
235.07535	10.3
236.07939	0.9
239.06996	1.2
251.06860	0.4
253.08609	6.9
261.06058	0.9
263.07028	20.6
264.07349	1.4
281.08069	20.8
282.08374	1.5
283.05981	0.4
291.06464	5.2
291.09488	0.4
292.07001	0.5
297.07437	0.4
299.08728	0.5
309.07501	28.5
310.07950	2.5
325.09381	0.6
327.04797	0.7
327.08600	10.6
327.20178	0.4
328.08856	0.7
345.09583	2.4
356.59683	0.3
511.11780	0.3
686.33698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46218	0.6
53.03922	1.1
55.05500	1.6
56.05014	1.0
57.03419	1.6
58.06575	2.5
63.02353	1.0
65.03954	0.8
66.32852	0.8
67.05505	3.5
68.04986	0.9
69.03399	2.9
69.07048	2.1
70.06590	13.3
71.04961	0.7
72.08155	20.1
73.02864	0.6
73.04751	1.0
73.08461	1.2
79.05457	2.9
80.04972	0.7
81.03413	5.3
81.07053	6.0
82.06553	2.5
82.07351	1.2
83.07338	2.1
84.04495	0.8
84.08139	5.4
84.69270	0.6
85.02889	5.2
86.09708	7.9
89.03921	8.0
91.05459	8.7
92.05769	2.1
93.07001	1.9
93.99879	0.6
94.06516	1.3
94.59940	0.7
95.04932	1.2
95.08597	3.7
96.08123	3.9
96.08893	1.0
97.02867	2.0
97.06473	0.8
98.06027	0.9
98.09656	2.9
98.23400	1.3
99.04412	2.3
102.09130	0.7
103.03918	1.4
105.07059	1.5
107.04918	0.7
107.08546	1.4
108.08076	1.8
109.02861	3.1
109.10076	1.0
110.07120	0.8
110.09679	3.5
110.10286	0.8
111.04375	0.9
112.07546	2.6
115.05415	0.9
117.03377	20.7
117.07026	4.7
118.07304	1.1
119.04895	0.8
119.08527	0.7
120.08036	2.8
122.09670	3.4
123.03554	0.8
123.04414	9.4
127.03905	3.3
127.09929	6.9
128.06137	0.7
128.10722	0.9
129.06999	1.1
129.10158	2.1
131.08540	1.8
133.10083	1.1
134.03574	1.2
135.04350	2.1
136.07509	0.8
138.09106	0.9
140.10701	6.8
141.06911	1.9
142.07291	1.1
143.11774	1.1
145.02840	58.0
145.10005	0.7
146.03146	1.9
149.05966	7.0
149.09492	0.7
155.08351	0.7
163.03825	2.8
175.03856	0.9
177.05466	79.4
178.05708	2.9
183.11545	1.0
184.11971	1.0
186.05527	0.9
201.12238	1.2
206.18936	2.3
208.94870	0.8
224.20068	3.4
229.15480	1.3
240.93828	0.7
290.20944	0.8
314.21039	1.1
321.09457	1.6
326.24637	0.9
326.28180	1.6
328.22565	2.7
330.20660	0.9
330.24298	13.1
331.24429	1.6
342.28006	3.1
343.28217	3.8
344.29062	5.4
347.09424	1.2
348.25311	38.3
348.29596	1.8
349.25665	3.5
357.37369	0.7
360.28748	1.8
361.24057	0.7
361.28888	3.0
362.30243	6.0
380.31204	1.7
390.25986	1.1
434.55231	0.9
456.23291	1.2
474.25009	1.4
488.26080	1.6
493.38199	0.7
506.27191	1.6
510.30219	1.9
524.29437	1.5
668.30280	1.1
668.38702	3.3
686.34503	100.0
687.35162	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.05514	12.4
57.03435	14.2
57.07082	2.5
59.04998	3.7
61.02923	3.0
65.03941	2.9
66.60635	0.9
67.05505	100.0
68.05843	2.7
69.03434	1.9
69.07067	10.4
69.19315	0.8
69.25396	7.2
71.04995	3.2
75.67219	1.0
79.05498	22.3
81.07056	42.2
83.04990	1.4
83.08618	8.9
85.02908	3.3
85.06546	3.6
91.03942	1.8
91.05478	13.9
93.07045	29.6
95.05010	1.5
95.08604	27.4
97.02914	1.9
97.06514	1.0
97.10172	1.9
99.08069	1.5
103.19266	0.9
105.07043	5.7
107.08590	15.4
108.08877	1.1
109.10156	82.3
110.10526	2.6
111.08085	4.2
113.09629	1.2
117.07010	3.3
119.08578	11.5
119.10550	1.1
121.10139	13.1
123.11711	3.3
125.09635	1.9
131.08577	5.8
133.10117	5.7
135.11671	7.5
137.09608	4.1
145.10132	4.5
147.11694	3.4
149.13269	4.2
155.10655	8.5
159.11723	3.1
161.13257	3.6
163.14844	2.4
173.11755	18.8
173.13249	3.2
187.14781	2.3
189.11371	1.1
201.16409	1.1
227.12839	3.7
229.14349	97.5
230.14658	5.6
243.21095	4.8
258.18805	1.0
261.22137	21.4
262.22339	1.5
317.24637	4.4
335.25803	94.1
336.26239	7.8
341.01556	0.9
397.31177	1.2
471.34616	1.4
489.35745	63.7
490.35919	8.9
507.36652	2.2
687.30273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01881	1.1
55.05512	10.4
57.03440	12.1
57.07083	2.1
59.04994	4.1
61.02928	5.5
65.03940	2.9
67.05505	100.0
68.05847	2.5
69.03429	2.1
69.07076	6.8
69.37551	2.9
71.04999	2.8
73.02921	1.5
79.05491	19.6
79.38688	0.5
80.06249	0.5
81.03436	0.8
81.07059	35.9
83.04984	1.1
83.08620	8.2
85.02910	3.5
85.06545	2.6
91.03954	2.2
91.05478	13.9
91.40749	0.6
93.07045	23.8
94.07380	0.8
95.04987	1.0
95.08611	25.3
96.08957	1.0
97.02901	2.5
97.06531	1.5
97.10196	1.5
99.04463	0.6
99.08112	1.1
105.04520	0.8
105.07028	6.8
105.07690	0.8
107.08599	14.1
109.06545	1.6
109.10155	68.8
110.10481	2.2
111.08092	3.1
117.07030	2.4
119.08575	9.8
121.10133	8.5
123.11710	3.0
125.09638	2.0
131.08571	5.5
133.10156	3.7
135.11693	6.0
137.09627	2.4
137.13246	1.0
145.10103	3.3
147.11661	3.5
149.13264	2.4
155.10686	7.0
157.10059	0.7
159.11688	2.4
161.13269	2.4
163.14838	1.9
173.11755	18.0
173.13243	2.5
174.12082	0.6
177.16441	0.6
187.14813	1.7
189.11237	1.1
222.21820	0.6
227.12784	4.6
229.14348	79.7
230.14690	4.2
243.21057	4.2
261.22128	13.1
262.22696	1.4
317.24817	2.5
318.21881	0.8
335.25797	53.8
336.26086	4.2
356.76514	0.6
397.30966	0.8
415.32019	0.9
471.34286	1.0
489.35776	29.5
490.35864	2.8
507.36832	1.7
535.22351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.07077	35.6
58.07415	0.8
59.04993	1.0
66.30376	0.6
67.05504	2.7
69.07064	3.9
71.08633	30.1
72.08965	0.7
73.02919	1.0
73.06557	8.5
79.05482	1.3
81.07067	2.5
83.08616	5.2
85.10184	18.0
87.04473	7.9
89.06031	100.0
90.06379	1.6
91.07593	1.2
93.07058	1.3
95.08628	2.1
97.10159	7.1
99.02676	1.4
99.11752	2.8
107.07074	2.4
107.08554	0.7
108.44966	0.6
108.92155	0.7
109.10126	1.3
111.11729	4.0
113.13293	2.4
117.09133	6.8
123.08059	0.8
125.13275	1.6
127.14812	1.6
130.08612	1.8
131.07053	3.0
133.08603	51.6
134.08914	1.1
141.16376	1.7
156.27271	0.7
161.11754	1.7
175.09703	1.9
177.11226	20.5
210.69574	0.7
211.24210	1.7
220.84810	0.7
221.13841	3.9
255.26894	1.3
283.17551	1.0
299.29459	4.6
327.19995	1.4
332.26617	1.2
343.32095	2.3
352.72891	0.7
459.27875	2.0
599.22119	1.6
612.96228	0.8
625.48303	1.0
655.28156	2.7
669.51050	1.9
686.33423	0.9
686.53558	3.0
687.47534	2.0
719.04169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3021
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
69.15990	2.9
70.08981	0.4
75.45827	0.5
101.61437	0.5
105.55990	0.5
108.08161	0.6
120.08080	0.5
120.81383	0.4
122.09689	0.7
130.06560	0.8
132.08061	0.6
144.08110	1.3
159.09337	0.5
160.07716	0.5
166.08594	0.6
168.08162	0.6
171.09258	0.5
172.07599	0.9
185.07144	0.6
185.10782	0.8
187.08633	0.5
194.09738	0.6
195.09138	1.0
196.09807	0.8
197.10760	1.7
198.11464	0.5
199.08719	1.2
206.09882	0.6
207.09138	0.9
208.09920	1.7
209.10750	7.5
210.11310	2.2
211.08659	0.9
211.12245	3.5
212.09447	0.5
212.12933	0.5
213.06618	1.4
213.10263	1.1
215.08125	0.7
221.10783	1.7
222.11217	2.9
223.08698	2.4
223.12193	5.8
224.09427	0.9
224.13034	5.7
225.10197	0.8
225.13820	4.4
226.14630	0.9
227.08253	1.6
227.11826	0.6
229.09579	0.7
232.09729	1.0
233.10886	0.7
235.12354	1.6
236.09460	1.0
236.13184	1.1
237.10405	3.0
237.13857	16.1
238.10915	0.8
238.14647	9.7
239.08177	1.0
239.11833	0.9
239.15411	5.4
241.09760	1.4
247.12383	0.8
248.09167	0.7
249.09995	0.5
249.13904	1.0
250.11069	0.7
251.08247	1.1
251.11896	1.5
252.12569	0.7
253.09811	1.1
253.13344	2.0
255.07628	0.7
255.11395	1.8
263.11783	0.6
265.10294	0.6
265.13376	10.8
266.14099	5.0
267.07608	0.6
267.14886	4.7
269.09335	1.5
273.12259	2.9
276.16101	0.6
280.13315	0.7
281.13113	0.6
282.13718	0.7
283.10876	0.8
285.12625	1.2
286.13400	0.9
287.14169	1.3
290.16644	0.7
293.09360	0.5
293.12808	1.3
297.12173	3.1
299.10355	1.1
300.14948	1.0
301.15973	0.6
302.16620	0.7
309.16046	1.8
311.10556	0.9
312.15005	0.9
313.15823	0.5
314.13223	0.6
314.16565	1.7
315.13541	3.6
316.18192	0.5
325.15454	9.2
326.12808	0.8
326.16205	2.3
327.17157	3.8
328.14609	1.0
328.18192	1.7
329.11676	0.8
330.16006	0.6
335.13782	1.3
336.14783	0.9
339.13663	0.5
340.14426	1.4
341.15201	0.8
342.12500	0.6
342.16147	0.5
342.19547	0.5
343.13065	1.8
344.13931	0.5
345.14410	0.5
352.17331	0.7
356.17676	0.6
358.15622	0.7
363.13086	0.5
367.19571	0.7
372.17419	1.3
373.18420	0.5
374.18851	1.0
375.17026	0.6
379.15619	0.7
380.20676	0.5
381.16953	0.6
386.19034	1.4
387.19635	1.3
388.20316	1.5
389.21356	1.2
390.18451	0.8
391.16360	0.6
393.17258	1.1
394.17828	1.1
395.18613	1.7
399.15823	0.6
400.16193	2.4
401.16629	0.7
401.21057	1.6
402.21930	2.2
403.22763	0.7
404.23453	1.8
405.16486	0.5
406.18875	0.7
407.18652	1.5
408.19595	1.1
409.20389	1.7
414.18250	1.5
415.18808	0.7
416.19150	0.5
417.17532	0.6
418.17963	1.1
419.18539	1.6
420.18433	0.6
422.16730	0.6
423.17731	1.1
423.22531	0.9
424.19241	0.6
430.20877	0.8
432.19611	0.8
433.20627	2.2
435.18011	0.7
436.19095	0.6
437.19717	1.6
438.20599	1.4
439.21466	0.5
442.17587	0.6
446.16861	0.6
451.21887	0.6
452.22214	0.6
453.23538	0.6
460.19269	0.5
461.19574	0.8
462.20319	0.9
465.23431	0.7
467.21182	0.5
469.22266	1.3
479.20859	0.6
480.22446	0.6
481.22598	1.9
482.23196	1.0
483.24121	0.6
490.23419	2.5
491.23987	1.8
492.20770	0.9
493.22583	1.3
497.26141	3.0
498.26474	1.2
505.22379	0.7
506.23425	1.6
507.24017	4.0
508.23041	0.9
509.22235	1.3
510.22604	1.2
511.23489	1.7
517.22583	1.0
521.25800	2.4
522.25787	1.3
524.24438	1.9
525.25201	6.0
534.22980	0.8
535.23419	1.7
539.26031	1.8
540.27563	2.2
549.24799	3.2
550.24561	1.4
552.24152	1.0
553.24475	3.0
554.24634	0.7
567.26062	4.5
568.26733	1.7
577.23926	0.8
579.26025	1.3
585.27185	0.9
595.25568	7.4
596.25891	1.3
609.27118	14.9
610.26935	2.0
611.28430	1.3
613.25586	1.3
627.28156	38.2
628.28412	4.3
637.26337	5.0
638.26611	0.9
655.27606	100.0
656.27905	14.3
656.39185	0.6
669.29968	0.6
687.30017	4.4
687.40125	0.8
688.29962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89697	0.8
55.05510	0.9
55.72212	0.7
61.59373	0.8
63.47880	0.9
69.30785	4.2
79.05540	0.9
81.07067	0.9
94.06609	1.0
122.09648	1.0
123.17235	0.7
144.08147	1.3
146.06021	0.8
172.07619	1.3
178.08737	0.7
188.07024	1.0
195.09186	1.6
196.09943	0.9
197.10800	1.8
199.08699	1.0
205.06610	0.7
207.09154	1.4
208.09909	1.4
209.10712	5.9
210.11517	2.7
211.12311	3.7
212.13043	1.0
213.06610	0.8
213.10205	1.7
219.09206	0.8
221.10678	1.1
222.11586	2.8
223.08769	2.4
223.12268	6.9
224.09509	1.4
224.13029	4.5
225.13968	3.3
226.14662	1.4
227.08229	1.9
231.11317	0.9
232.09814	1.2
234.11533	0.8
235.12309	1.7
236.13045	1.1
237.10344	2.2
237.13853	16.2
238.11008	0.8
238.14630	11.7
239.15344	5.6
240.16071	0.8
241.09782	1.4
248.09230	0.7
251.08185	1.1
251.11800	1.4
252.12610	1.1
253.09750	1.2
253.13397	2.6
255.07597	1.7
255.11272	1.8
265.13373	12.3
266.13959	3.6
267.15048	4.7
269.09164	0.8
273.12350	1.5
275.15512	1.1
278.62207	0.7
282.13690	1.4
286.13678	1.2
293.12897	1.3
297.12497	2.6
297.16220	0.8
299.10318	1.5
301.11987	1.3
304.14432	0.8
306.12399	0.9
309.12668	1.3
309.16156	1.4
310.21735	0.8
314.13031	1.1
314.16690	1.3
315.13498	3.2
316.14420	0.8
316.18118	1.0
325.15485	9.5
326.12817	1.4
326.16403	2.8
327.13757	1.0
327.17157	4.5
328.14566	1.5
328.18158	1.8
329.11462	0.8
334.25613	0.8
335.14130	1.7
336.14853	1.2
340.14597	1.1
343.13007	1.2
373.15005	1.0
378.15887	1.0
381.16827	1.1
386.19235	1.1
387.19598	1.7
388.20346	2.0
393.17313	1.1
394.18039	1.5
395.18701	1.9
400.16354	2.0
401.21335	1.7
402.22177	1.5
403.22665	0.9
404.23340	1.2
405.17432	1.4
406.15247	0.9
408.19641	1.4
409.20178	1.9
414.18329	1.5
418.18362	1.0
419.18872	1.5
420.19547	0.9
432.19513	1.2
433.20740	1.5
436.19122	0.8
437.19678	1.5
438.20886	1.1
439.21661	1.0
451.21375	1.3
452.22787	1.1
462.20151	1.1
465.23328	1.4
467.20554	1.1
481.22601	1.6
482.23190	1.4
490.23569	1.0
491.23843	2.5
492.21988	1.3
493.22485	0.9
497.25833	2.0
498.26553	1.1
506.23309	1.2
507.24222	3.8
508.22818	1.5
509.22174	2.1
510.22559	1.6
511.23450	1.2
521.25110	2.6
524.24384	1.6
525.25037	6.6
535.23425	1.5
536.22070	1.0
539.26819	2.4
540.27246	2.5
549.24951	4.2
550.25067	1.1
552.23688	1.6
553.24762	3.8
567.26038	4.4
568.26880	2.2
579.25903	1.5
585.27142	1.7
595.25616	18.4
596.25836	3.3
609.27228	16.7
610.27277	3.0
611.28143	1.5
612.26984	1.1
613.26727	2.3
623.24475	1.4
627.28174	37.7
628.28577	6.2
637.26379	5.5
638.26599	1.0
655.27618	100.0
656.27899	17.4
669.28625	1.7
687.29260	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	687.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23581	0.8
55.05510	1.1
67.05497	1.7
69.91001	3.9
70.88480	0.8
71.08620	0.9
78.75141	0.9
79.05528	1.1
81.07063	1.5
83.08646	0.9
89.06046	0.9
91.05466	1.3
93.07046	1.5
94.87062	0.7
95.08615	1.6
98.23392	0.9
101.04096	2.6
119.08585	0.9
129.57838	0.9
132.08179	1.1
146.56146	1.0
157.06641	0.8
209.10822	0.9
211.12447	1.2
212.09398	1.0
223.12239	1.6
225.14064	1.0
236.13324	1.2
237.13846	1.3
239.15414	1.0
259.12317	1.0
261.13940	1.7
276.12061	0.8
276.14981	1.8
290.16428	1.5
293.21735	0.8
299.14630	1.0
312.15082	1.5
318.15799	1.3
327.16971	0.9
338.16492	1.1
354.19751	1.3
365.17752	2.0
375.16400	1.3
376.17026	1.4
377.17807	4.7
378.18613	2.4
379.19403	5.0
380.19614	1.2
381.20969	1.4
389.17575	1.9
391.19696	4.0
392.19931	3.3
393.20798	3.6
394.21820	1.3
395.18536	1.4
404.20413	1.2
405.15930	1.2
405.20691	2.9
406.21451	2.4
407.22739	5.6
409.20114	8.8
410.20590	1.4
413.30469	1.5
421.24304	5.8
423.22006	6.4
424.22449	1.8
433.20285	1.6
437.19266	2.8
437.23914	2.6
437.85034	1.0
440.23181	2.0
447.21741	1.6
449.20218	1.1
450.20782	1.6
451.20956	2.2
464.22418	1.8
465.22934	7.4
466.23172	1.7
467.20380	1.3
479.24054	2.5
480.24527	1.7
481.22327	2.9
482.23209	1.7
493.25415	1.3
494.26587	2.1
495.27258	4.0
496.24539	2.6
497.25604	4.0
507.27441	1.3
508.27078	1.3
509.25784	2.2
510.25916	1.7
511.27097	9.3
512.26813	1.1
523.23193	1.1
525.28436	2.5
535.26984	2.2
537.24731	3.2
538.25598	1.7
539.26056	4.4
540.27136	1.3
541.28436	1.1
551.25671	1.6
552.26361	3.3
553.27612	1.2
555.25928	2.1
567.29596	29.5
568.30237	4.8
569.27380	5.4
570.27551	1.6
579.26013	3.8
583.29175	25.8
584.29510	8.1
593.27411	11.0
594.27112	2.5
599.32275	100.0
600.32751	17.1
611.28680	17.2
612.28418	3.3
625.29694	1.1
627.27844	1.2
643.31226	9.4
644.30518	1.5
655.27106	2.9
656.28766	1.2
686.45819	1.6
687.47546	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	687.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24946	0.7
57.07082	0.6
59.24817	0.6
67.05492	1.0
69.09295	4.7
75.75356	0.6
79.05490	0.7
81.07072	1.6
83.61742	0.5
84.78064	0.5
89.06055	0.8
90.21032	0.5
93.07037	1.4
95.08607	1.1
98.23383	1.2
105.07027	0.8
107.08580	1.0
109.06561	1.1
109.10179	0.9
144.08121	0.8
146.05954	0.7
165.12732	1.6
171.50534	0.6
174.05573	0.9
191.14291	0.9
195.09135	0.7
221.10826	0.8
223.12366	1.6
224.13356	0.6
235.12407	1.2
237.13956	1.1
239.15291	0.6
244.97749	0.7
247.12338	1.9
249.13837	0.9
256.70703	0.6
259.12219	0.9
260.13168	0.9
261.13934	2.0
261.22385	0.6
262.13492	0.6
264.15384	0.7
266.88257	0.6
272.11871	0.7
273.14056	0.9
275.15408	2.2
277.13333	0.6
289.21704	2.7
290.16602	1.2
300.15063	0.8
307.22665	1.0
314.16504	0.8
326.16653	0.6
338.16217	1.0
340.18314	1.2
352.18051	0.8
354.19858	1.2
363.16284	1.5
364.17694	1.4
365.17853	2.2
366.19336	1.0
368.21317	0.8
377.17773	3.4
378.18790	1.1
379.19409	3.1
380.20572	0.7
389.18427	0.7
390.18600	0.9
391.19312	4.7
392.20181	2.4
393.21320	3.6
394.17706	1.1
394.22327	0.8
395.18552	1.5
403.19409	0.9
405.20926	1.7
406.21896	3.1
407.22791	5.2
408.19266	1.5
409.20145	5.7
410.20651	0.9
419.22519	1.2
421.24313	5.9
422.21130	1.0
423.21875	5.2
424.22382	1.3
433.19958	0.7
435.18039	0.9
436.18936	0.8
437.18967	4.0
440.23203	1.1
448.19827	0.7
448.44064	0.7
450.20438	1.4
451.21082	2.8
452.22394	0.8
463.21732	0.9
464.22183	1.3
465.22949	10.7
466.23389	2.1
467.20419	0.7
467.24915	0.6
479.24445	3.2
480.24670	1.0
482.22913	1.4
493.26004	1.7
494.26660	0.9
495.27466	2.2
496.24716	1.3
497.25571	2.5
502.26889	0.7
507.27737	0.9
508.28235	1.1
509.26169	1.3
510.26340	1.2
511.27228	7.3
512.27051	1.3
524.24329	0.8
525.28967	2.7
526.29242	1.2
535.26617	2.1
537.24945	3.4
539.26477	3.9
540.27106	0.8
541.28113	1.7
550.26630	1.0
551.26471	1.8
552.27448	2.2
553.27875	1.1
555.26105	1.5
556.26215	0.8
567.29639	26.7
568.30328	4.8
569.27759	4.5
579.25793	1.6
583.29218	11.7
584.29706	5.6
593.27594	8.7
594.28223	1.3
599.32281	100.0
600.32623	15.0
611.28644	8.2
612.28467	1.4
643.31378	5.4
644.32239	0.8
669.46881	1.3
686.45959	0.9
687.29626	0.7
687.48279	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	687.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45242	0.9
60.22163	0.8
67.05519	1.3
71.08673	0.9
81.07068	2.0
88.73046	0.8
95.08691	1.1
104.99125	0.8
105.04527	0.9
182.79414	0.8
186.89410	1.1
202.15233	0.9
246.01270	1.0
286.44336	0.8
299.94415	0.9
351.15765	1.9
407.18512	1.1
515.49304	0.9
520.38910	1.0
573.48431	1.2
687.42291	100.0
688.42657	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01873	1.5
55.05503	1.7
56.05022	1.1
57.03422	1.0
58.06612	1.0
60.04536	1.6
69.03421	4.0
70.06592	26.5
71.29828	1.0
72.08154	10.1
72.14712	0.9
72.97172	0.9
81.03423	2.2
84.04513	2.2
84.08138	5.5
85.02898	11.8
86.09702	23.0
87.10031	2.2
91.05480	2.4
93.07054	0.9
95.04979	1.4
95.08582	1.5
97.02884	6.1
98.06075	2.5
99.04480	0.9
101.07185	0.8
102.05581	1.0
104.47457	0.9
107.04954	22.8
109.02848	2.1
110.07160	1.6
115.05492	4.2
117.07013	10.2
119.04955	1.2
120.08105	3.0
121.02857	4.6
123.04444	1.1
126.05511	1.2
127.03912	4.9
128.06241	0.9
129.10254	3.8
131.04909	2.7
133.06511	2.4
136.07587	4.0
136.15358	1.1
141.10240	1.3
142.55946	0.9
143.04909	3.0
144.05693	3.1
145.04955	3.8
145.06480	8.5
151.03943	1.0
152.06250	1.3
155.08366	1.0
159.09174	1.4
159.48351	0.9
161.05991	2.4
163.05913	1.1
165.05696	0.9
165.06993	4.2
166.07791	2.7
167.08562	8.1
169.09796	1.9
170.07352	1.1
171.04395	4.7
174.80859	0.9
175.03940	1.0
178.07753	2.4
179.08578	2.0
181.04921	1.3
181.06450	8.5
181.10078	8.9
182.07220	1.7
183.08055	33.3
183.14946	3.0
185.09624	23.4
186.09946	1.1
189.05455	11.1
191.08565	13.0
192.09129	1.1
193.10095	1.6
194.07248	12.4
195.08055	16.2
196.08731	1.6
197.09605	21.2
197.11279	1.7
198.10049	1.0
199.07452	1.2
201.12386	2.6
202.07799	2.6
203.08553	2.7
207.06416	1.3
207.08102	1.3
209.06030	19.1
209.09602	43.4
210.10039	2.5
211.07570	2.8
211.11156	5.9
211.14311	1.7
213.09091	42.9
214.09433	2.3
218.07263	1.1
219.08017	15.7
220.08635	1.4
221.09619	7.1
223.07538	22.3
225.09093	71.6
226.09453	3.2
227.07072	1.3
227.10706	1.3
229.07524	1.5
229.11862	1.7
235.05984	1.6
237.09090	75.2
238.09537	4.9
239.10667	29.4
240.11018	2.3
241.08612	22.3
241.12260	2.7
242.08963	1.4
243.10115	1.9
247.07626	2.0
251.07024	1.4
255.10158	90.8
256.10495	4.2
265.08591	22.4
266.09018	1.1
269.08066	17.8
270.08243	1.6
277.15491	1.4
283.09641	70.7
284.09979	4.8
285.11212	3.9
293.08151	1.4
301.10687	38.3
302.11017	3.3
303.12115	1.6
311.09125	63.8
312.09439	5.1
329.10181	100.0
330.10339	6.3
342.20447	1.6
347.11292	13.4
347.15128	1.5
397.24643	1.3
413.23901	11.7
441.26892	1.2
455.13135	1.3
537.79218	1.0
688.40918	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	688.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01873	0.6
55.05521	0.9
56.04591	0.2
56.05035	1.4
56.28167	0.2
57.03434	2.4
58.06601	4.3
59.04995	0.4
61.02927	2.4
63.33919	0.2
67.05503	2.1
69.03428	7.5
69.07073	0.4
69.17950	0.4
69.18353	1.4
70.06593	2.3
71.01370	0.7
71.05002	1.0
71.07368	1.3
72.08164	1.4
73.02914	2.4
77.03884	0.2
77.85601	0.2
79.05513	0.5
79.99895	0.2
81.03413	2.4
81.03786	0.2
81.07050	1.6
82.06610	0.7
83.01351	0.3
83.08678	0.4
84.08144	8.6
85.02905	10.5
87.04463	2.4
88.07645	0.9
91.03981	0.6
93.07055	0.5
95.05006	0.4
95.07366	0.4
95.08612	1.3
96.08134	3.9
96.08685	0.4
97.02898	5.5
97.08952	0.8
98.09718	0.7
98.22636	0.4
99.04456	1.3
101.02405	0.5
103.03943	0.5
109.02885	1.9
109.10175	0.6
110.09680	7.2
111.10484	3.8
112.11250	1.3
113.91188	0.2
114.09183	0.9
115.03962	0.4
123.04428	10.1
124.11221	2.7
127.03916	2.7
128.10719	14.3
129.11131	0.3
137.05997	0.3
138.12823	0.8
145.04967	1.2
149.06039	0.4
152.14369	1.1
166.15967	0.3
180.17566	1.0
188.43083	0.2
190.87775	0.2
194.19131	0.7
208.20654	0.8
220.63985	0.2
222.22171	10.1
223.22577	0.5
236.23857	0.3
240.23257	1.6
332.15326	0.3
345.26880	0.7
346.27393	18.9
347.27734	1.5
364.28424	16.8
365.28754	1.5
388.28455	0.5
406.29587	0.5
508.32751	3.7
509.33374	0.3
526.33746	7.8
527.34131	0.7
670.37952	8.8
671.38147	1.0
688.38965	100.0
689.39374	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	688.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22639	0.3
53.03939	0.7
55.05522	0.5
56.05048	0.7
57.03439	1.8
58.06613	0.9
61.02927	2.2
67.05513	1.3
69.03438	6.9
69.07064	0.6
70.06594	6.4
70.91188	0.9
71.05010	0.8
72.08151	0.9
73.02929	2.0
81.03423	2.4
81.07079	1.3
82.06607	1.6
84.08140	4.4
85.02907	10.7
85.08936	0.5
86.09728	1.6
87.04467	2.3
88.07635	2.3
91.03984	0.9
93.07063	0.4
95.08646	1.1
96.08128	5.9
96.08687	0.5
97.02895	5.5
98.09693	2.5
99.04468	1.1
101.02374	0.6
109.02892	1.7
110.09681	14.6
111.10497	4.5
112.11263	4.9
112.11963	0.6
116.06303	0.4
123.04434	10.7
124.11245	5.4
127.03927	2.6
128.10750	1.7
137.05977	0.4
138.12766	1.9
145.02534	0.4
145.04980	1.2
149.06065	0.6
152.14354	0.8
165.81961	0.4
166.15941	1.2
168.17462	0.5
171.78755	0.4
180.17506	1.1
194.19164	1.5
208.20573	2.4
222.22182	19.8
223.22507	0.9
226.14896	0.4
236.23959	0.5
240.23300	1.8
318.24258	10.8
319.24820	0.9
328.26233	0.5
344.25995	0.6
345.26749	1.2
346.27423	26.7
347.27725	2.7
356.20764	0.4
364.28442	19.0
365.28952	1.6
388.28555	0.9
508.32669	6.0
509.33188	0.9
526.33740	8.7
526.41559	0.5
527.34125	0.7
670.37897	12.4
671.38220	2.2
688.39008	100.0
689.39319	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	688.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09298	0.3
53.03947	0.7
55.01873	0.5
55.05510	0.8
56.05036	1.7
57.03442	2.4
58.06606	4.1
61.02931	1.9
67.05502	1.3
69.03432	7.1
70.06597	2.7
70.41462	1.0
71.01344	0.3
71.04983	0.5
71.07383	0.9
72.08151	1.8
73.02930	2.6
79.05489	0.4
81.03399	1.8
81.07061	1.7
83.08628	0.4
84.08148	8.9
85.02905	9.7
86.09711	0.4
87.04472	1.7
88.07628	0.7
91.03957	0.8
93.07069	0.5
95.08636	1.3
96.08113	2.5
97.02893	4.1
97.08942	0.6
98.09711	0.7
99.04451	0.8
101.02419	0.6
107.04966	0.3
107.08618	0.6
109.02901	0.9
109.10156	0.6
110.09677	5.5
111.10480	2.5
112.11266	1.6
114.09158	0.4
123.04433	9.4
123.11667	0.4
124.11231	1.6
124.99110	0.3
127.03890	1.6
128.10721	11.2
129.10251	0.5
129.11102	0.4
129.67374	0.3
138.12811	0.6
145.05006	0.9
149.13261	0.6
152.14337	0.4
163.07617	0.4
166.16063	0.4
167.14302	0.3
185.15355	0.4
222.22127	4.2
240.23436	0.5
288.71555	0.4
344.25833	17.5
345.26321	1.8
346.27423	14.7
347.27863	1.3
362.26889	3.4
363.27609	0.5
364.28430	10.7
365.28882	1.1
388.28171	0.9
406.29526	0.6
450.31332	0.4
508.32730	14.9
509.33197	1.3
526.33765	14.8
527.34167	1.5
587.15527	0.3
670.37885	6.3
671.38000	1.0
688.38983	100.0
689.39349	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51284	1.2
56.05032	1.0
57.03443	2.6
58.06576	1.6
61.02916	1.7
67.05498	1.5
69.03432	5.8
70.06599	11.4
71.28707	1.3
72.08165	2.4
84.01021	1.1
84.08149	4.3
85.02915	7.0
86.09714	4.4
87.04490	2.0
88.07631	1.9
95.08634	1.8
96.08146	3.7
97.02903	3.9
97.68420	1.2
98.09720	1.9
109.02827	1.7
109.10220	1.2
110.09681	10.3
111.10487	2.4
112.11278	4.3
113.62931	1.6
115.89468	1.2
123.04427	8.1
124.11232	2.5
125.44590	1.1
127.03947	2.9
128.10693	2.0
163.07565	1.4
189.14777	1.5
222.22130	5.9
300.50714	1.3
318.24478	4.1
319.72287	1.2
344.25830	23.6
345.26596	2.0
346.27362	18.3
347.27942	2.1
347.46472	1.3
362.26932	4.5
364.28418	13.8
480.29959	3.4
508.32727	19.3
509.33441	2.8
526.33545	13.1
527.33862	2.2
622.55396	1.2
651.92120	1.5
670.37878	9.1
688.38989	100.0
689.39380	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	688.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05515	3.6
56.05041	1.4
57.03437	7.4
58.06602	5.2
61.02930	2.2
65.03943	1.0
67.05502	5.4
69.03430	12.5
69.06691	1.2
69.07072	4.4
70.06603	5.5
71.01335	1.0
72.08160	32.7
79.05501	1.7
81.03429	4.6
81.07056	8.3
83.08638	2.6
83.93897	0.9
84.08154	4.5
85.02908	42.0
85.06544	1.2
85.08941	2.5
86.09728	2.5
87.04492	1.4
91.05483	38.3
92.05817	1.3
93.07091	2.1
95.08618	7.1
97.02886	9.4
97.10163	1.0
98.09695	8.2
98.23360	3.2
99.04476	3.1
101.02353	1.2
102.09208	2.1
105.07030	5.0
109.02913	2.9
109.10179	3.3
112.11227	1.3
117.07008	5.8
123.11756	2.2
126.53897	1.1
127.03925	9.3
129.07063	1.5
131.08583	6.5
137.09625	1.3
143.08621	1.5
145.05020	4.4
151.72867	1.4
165.09129	11.9
229.63899	1.4
300.87271	1.0
328.30002	20.5
329.21240	1.5
329.30429	2.4
339.25583	1.5
346.31046	69.8
347.31253	5.2
364.32104	100.0
365.32364	8.4
460.38898	1.2
499.86447	1.1
526.37524	3.2
588.56873	1.2
670.41559	3.9
688.42810	79.0
689.43878	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	688.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
57.07076	31.9
59.04994	1.0
61.30598	0.7
67.05495	2.7
69.07061	3.1
69.60358	2.7
71.08633	26.8
73.02924	0.7
73.06554	7.9
81.07045	2.0
83.08617	1.8
83.68266	0.7
85.10187	16.7
87.04473	8.5
89.06032	100.0
90.06345	1.3
91.07597	1.2
95.04977	0.7
95.08601	0.9
97.10168	3.5
99.11737	4.0
105.07025	0.8
107.07079	3.2
109.10166	2.4
111.11727	1.5
113.13311	2.4
117.09150	7.9
130.08650	2.2
131.07050	2.6
133.08601	50.1
134.08948	0.9
135.10210	1.2
161.11758	1.7
168.87151	0.6
169.19519	4.6
170.94478	0.6
175.09702	2.3
177.11221	20.5
207.30453	0.6
213.22197	2.8
221.13908	3.0
229.14421	1.2
230.14706	1.0
257.24689	6.0
257.27002	0.7
265.16385	0.8
283.17542	2.0
301.27277	3.3
327.20407	1.1
336.25946	0.8
337.26505	1.0
371.23318	0.7
459.27765	1.0
491.36353	0.8
503.30698	1.7
596.25745	2.0
671.49359	2.8
688.30597	1.9
688.40820	2.2
688.51764	1.7
689.29132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.8
56.70700	0.4
58.39346	0.4
58.66262	0.4
60.04225	0.9
60.04523	15.6
68.04997	0.4
69.07064	6.2
69.39452	0.8
69.39867	2.1
70.02943	3.4
70.06590	5.0
72.08147	2.0
74.02436	1.3
81.03381	0.5
81.07055	0.5
84.04498	21.3
84.08139	1.6
85.02911	1.2
86.09700	100.0
87.05069	0.8
87.05587	9.7
87.10027	2.1
88.03984	8.3
96.04499	0.6
98.02396	0.5
98.23353	0.6
99.04434	0.4
99.05572	0.4
101.07162	0.5
102.05535	14.0
106.05062	0.4
110.07165	0.8
110.09645	0.7
113.07150	0.4
116.03424	0.5
120.08082	0.6
124.03914	0.7
126.05500	1.0
126.09155	0.6
127.03909	2.0
127.12339	0.8
128.10678	2.3
129.06601	13.4
129.10248	1.3
130.05034	0.5
133.06079	15.1
133.72610	0.4
138.09142	0.5
141.06621	1.2
143.04517	0.7
145.04955	0.6
150.01865	0.6
151.11168	0.5
152.10698	1.4
154.04951	0.4
155.08141	0.7
155.11783	3.3
156.10197	0.5
157.06110	0.7
163.06082	0.8
167.04520	0.7
169.12144	0.5
169.13461	0.8
170.11751	6.2
171.03986	2.5
173.12846	27.7
174.13216	0.8
183.11261	2.4
185.05569	3.2
187.13286	0.7
188.06712	1.1
189.08685	1.0
193.09677	0.6
195.03902	0.5
196.02461	1.2
197.12837	21.3
198.13235	0.7
201.12331	13.5
202.12589	0.9
211.10774	1.1
212.06758	0.7
213.05025	3.4
215.13902	27.9
216.14201	1.3
217.08263	0.9
219.13219	0.5
225.12308	9.4
226.12794	0.5
229.11850	4.1
230.07715	3.5
231.06065	4.7
243.13406	10.0
244.16721	0.4
248.08765	21.4
249.09103	0.8
284.16061	0.9
294.14471	4.7
298.14020	0.6
312.15503	17.7
313.16232	0.8
316.15012	19.8
317.15482	1.4
324.19232	0.6
326.13501	0.6
330.16620	8.3
330.20319	0.7
331.16870	0.4
337.91473	0.4
343.16092	1.5
344.15057	0.5
361.17096	5.7
362.17584	0.5
379.23383	3.4
385.17453	0.5
397.24362	4.4
398.24561	0.5
407.22781	4.5
415.25565	2.1
420.14957	0.5
425.23914	7.1
426.23804	0.6
430.19366	2.6
431.17725	1.4
443.24954	1.5
445.19269	0.8
448.20306	8.2
449.20230	0.6
494.25864	0.6
512.26715	0.7
522.25555	0.8
540.26746	2.8
558.27649	3.8
607.35938	0.4
672.30963	0.5
690.32123	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	690.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26592	0.3
52.95393	0.3
55.01870	1.3
56.05040	1.0
57.05813	0.6
58.06610	0.5
58.41605	0.3
67.05502	1.5
69.03435	0.6
69.07069	0.6
70.06596	5.3
71.11411	0.5
72.08160	100.0
73.02896	0.3
73.08485	2.0
77.05956	0.3
79.05482	0.7
81.07067	1.3
82.06581	0.4
83.04964	0.4
84.08153	1.4
85.02915	1.0
86.09709	1.3
87.04495	0.5
87.56981	0.3
91.05499	1.1
93.07050	1.1
95.04969	0.5
95.08622	0.9
96.08157	0.6
97.02874	0.5
97.06543	1.2
99.04485	0.5
102.09228	0.3
103.70719	0.3
105.07058	0.7
107.08597	0.7
108.08152	0.4
109.02914	0.5
120.08134	0.6
121.06537	0.4
121.09311	0.3
121.10189	0.5
123.04453	0.7
124.11231	1.9
138.09256	0.4
142.55667	0.3
161.13312	0.4
167.41011	0.3
173.05997	0.4
191.10687	0.4
205.75868	0.3
210.27402	0.3
225.63782	0.4
290.87988	0.3
314.75073	0.4
330.28012	1.1
330.89764	0.3
348.29050	0.8
354.14709	0.3
359.16177	0.4
366.30139	0.5
414.26660	0.6
443.36038	0.3
488.31781	0.3
510.32480	1.1
528.33209	14.5
529.33563	2.2
672.36401	0.4
690.38452	31.8
691.39203	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23856	0.3
56.31364	0.3
57.55463	0.3
67.05489	0.3
70.45235	0.6
70.45586	0.5
70.84303	0.2
72.08147	0.3
81.07044	0.5
87.29280	0.3
124.89951	0.3
260.59079	0.3
382.97189	0.3
415.14267	0.8
429.15414	2.1
430.16345	6.0
431.17017	3.7
432.17694	0.4
440.14755	0.3
441.15533	0.7
442.16452	0.9
443.17261	2.1
444.17987	1.5
445.18732	27.3
446.18982	5.5
454.16501	0.5
455.17438	1.4
456.18079	1.7
457.18729	3.9
458.19574	4.8
459.15674	0.4
459.20584	0.5
462.15121	1.6
468.17978	1.2
469.18964	2.2
470.19659	1.5
471.20197	1.5
472.21063	0.4
473.18008	1.9
474.18866	0.4
482.19843	0.4
483.20340	0.9
484.17676	1.1
485.17914	0.9
496.16641	0.3
497.18210	0.6
499.19800	0.6
501.17343	0.5
502.18326	0.4
513.18066	0.4
515.19507	2.2
516.19965	1.5
517.20618	1.3
529.18433	1.7
529.19775	1.7
531.22339	5.4
532.22516	1.0
539.18970	0.5
540.20215	0.4
541.20770	0.4
543.21375	0.5
545.20752	0.4
555.22369	0.7
575.23785	0.3
588.22369	0.8
599.21564	1.3
601.22913	1.3
602.23309	0.8
603.24799	0.5
606.23218	0.5
631.23962	100.0
632.24231	21.2
691.25995	3.1
691.38782	0.6
692.25958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29787	1.7
81.07059	1.2
112.40883	1.3
136.15924	1.3
271.35892	1.3
272.67667	1.1
416.37006	1.4
445.18768	2.4
576.50604	2.4
631.24261	9.9
632.24158	2.4
691.32898	100.0
692.33124	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	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57783	0.3
53.03951	0.6
54.29126	0.4
55.01860	0.4
55.05503	1.2
57.03446	1.8
61.02928	6.2
63.85764	0.3
67.05506	8.2
68.05849	0.4
69.03426	3.9
69.07066	0.8
70.12096	0.3
71.01344	0.5
71.04988	0.8
73.02924	3.8
79.05495	2.5
81.03423	1.5
81.07056	4.5
83.08619	0.9
85.02899	5.0
87.04458	0.4
91.03955	4.1
91.05489	1.5
93.07050	2.5
95.04983	0.4
95.08624	2.5
97.01886	0.4
97.02895	5.4
99.04470	1.0
101.02364	1.7
105.07063	1.1
107.08595	2.3
109.10150	6.4
115.03934	0.8
117.07049	0.3
119.08607	1.2
121.10190	1.3
123.07899	0.4
127.03905	1.4
131.08640	0.5
135.11728	0.6
148.50961	0.3
155.10645	0.5
161.31090	0.4
173.11705	0.9
185.04189	0.6
195.09988	1.0
203.05397	0.5
229.14404	0.9
243.08369	1.6
335.26022	0.8
413.17783	6.6
519.29248	8.6
519.36511	0.6
520.29535	0.7
691.40228	100.0
692.28516	0.8
692.40558	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05500	1.0
57.03441	2.0
59.05017	0.3
61.02931	5.1
61.44958	0.3
63.76046	0.3
67.05508	8.4
69.03435	3.5
69.56655	1.7
71.01369	0.4
71.05006	0.5
73.02919	3.6
79.05495	2.1
81.03437	1.5
81.07047	2.9
83.08618	0.7
85.02905	4.7
87.04468	0.4
87.35339	0.4
91.03967	3.1
91.05478	1.4
93.07025	2.3
95.08622	2.1
97.02905	4.1
98.22683	0.6
99.04460	0.7
101.02389	1.7
103.03892	0.3
105.07057	0.6
106.86326	0.3
107.08598	1.1
109.02890	0.8
109.10151	7.4
111.08097	0.4
119.08584	1.0
121.10167	0.8
127.03948	1.2
133.10176	0.4
135.11711	0.5
137.09645	0.5
145.04938	0.5
145.10126	0.4
149.70514	0.3
155.10707	1.0
173.11801	1.5
175.75754	0.3
185.04251	0.5
195.09949	0.8
229.14478	1.0
243.08350	2.1
335.25974	0.5
389.04080	0.4
413.17798	9.7
414.18195	0.7
519.29395	4.1
520.29718	0.6
528.15277	0.4
529.34753	0.4
578.98059	0.4
691.40265	100.0
692.40576	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09409	8.1
55.05497	21.2
57.03424	8.8
61.02929	68.8
67.05499	73.8
69.01878	13.5
69.02280	57.0
69.03411	11.5
69.07067	20.1
73.02915	29.6
78.04265	8.0
79.05494	54.4
81.07057	78.2
82.46794	7.9
83.08629	10.7
85.02921	63.8
85.06539	14.5
91.03954	62.2
91.05490	67.8
93.07046	84.2
95.08611	66.7
97.02881	32.4
98.23316	13.6
105.07029	79.6
107.08607	47.9
109.10143	35.0
117.07050	25.6
119.08561	71.3
121.10141	54.1
123.11737	10.6
127.03886	21.9
129.06976	20.2
131.08568	39.6
133.10088	43.3
135.11691	40.7
143.08597	18.0
145.04974	30.5
145.10129	31.9
147.11655	38.8
149.13263	28.9
157.10115	19.8
159.11674	31.5
161.13254	49.3
162.13451	10.6
163.05988	38.0
163.11317	6.6
163.14815	21.1
168.24083	7.1
171.11743	28.4
173.13312	27.5
175.14796	52.4
185.13287	24.5
189.12724	8.8
199.14851	19.9
207.05571	6.8
213.16397	10.1
217.19539	8.8
231.21129	16.3
235.21674	6.6
241.19548	61.4
259.20615	66.3
277.21552	15.8
333.24155	23.7
334.96414	7.8
351.25394	43.0
352.26062	8.3
396.24359	10.8
453.21320	12.9
537.68103	7.8
692.36041	100.0
693.36682	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	692.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.32929	0.9
55.01875	5.5
55.05506	2.2
57.03452	2.5
58.06607	2.9
61.02919	2.2
67.05498	9.5
67.05782	0.9
69.03426	7.4
69.07076	2.3
70.06590	9.0
70.45317	2.1
72.08154	44.5
73.02916	2.4
79.05500	8.4
81.03428	4.0
81.07053	14.0
83.04976	0.8
84.08148	6.1
85.02905	10.3
85.03379	1.2
85.08917	4.6
86.09721	4.2
87.04488	1.5
91.05492	5.1
93.07048	6.8
95.04990	1.2
95.08599	10.0
97.02924	3.6
97.06528	7.0
98.09688	7.4
99.04456	2.5
101.02354	1.0
103.03957	2.0
105.07059	3.2
107.04966	1.6
107.08619	3.7
109.02911	2.9
109.10178	1.6
117.07056	1.6
119.05030	1.0
119.08596	2.6
120.08112	2.0
121.10204	2.4
123.04464	2.9
124.11267	2.1
127.03869	5.0
129.06970	1.0
129.10275	1.4
131.08580	1.4
133.10149	2.5
135.11765	0.9
136.07607	1.0
140.14366	1.0
145.04860	1.0
145.10138	2.4
147.04431	1.7
147.11668	1.6
149.06044	1.8
149.09627	1.0
157.06538	1.2
163.03932	1.7
163.11174	0.9
173.06055	3.7
175.07527	1.2
177.05528	1.2
188.10693	6.1
189.12849	1.6
196.16997	2.1
203.10553	0.9
224.20184	2.0
328.13556	1.0
332.29483	34.4
333.29916	3.3
350.30728	5.3
368.18713	1.6
368.31635	5.6
394.23441	0.9
398.27097	3.3
512.33752	15.9
513.34436	2.0
530.34772	32.7
531.35474	3.2
674.38947	10.8
675.39581	2.4
692.40088	100.0
693.29272	1.6
693.41290	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64737	0.7
53.03886	0.9
55.01782	7.5
55.02078	1.9
55.05419	2.9
56.04964	1.3
56.28578	0.6
57.03359	1.7
57.05763	0.7
58.06504	3.0
61.02853	1.3
66.75478	0.7
67.05396	6.3
67.05789	1.2
69.02902	2.6
69.03323	8.5
69.03689	1.3
69.06966	3.3
70.06488	10.4
70.06903	1.4
71.07305	0.8
72.08047	45.3
73.02814	2.5
79.05379	7.6
81.03329	1.7
81.06940	16.5
81.07462	1.9
83.04907	1.1
84.08030	5.5
85.02785	4.8
85.08804	4.8
86.09585	4.1
86.10139	1.1
87.04385	0.9
91.05355	5.8
93.06923	5.2
94.06463	0.8
95.04826	2.3
95.08483	10.8
96.08076	1.0
96.08786	0.8
97.02778	3.3
97.06406	9.3
98.09567	6.4
99.04389	1.3
105.06905	4.3
107.04814	1.0
107.08566	3.8
109.02779	1.8
109.06437	1.0
109.10080	1.3
115.05394	0.9
116.06973	1.6
117.06920	1.1
119.04855	1.0
119.08437	2.5
120.07995	2.0
121.06332	1.0
121.10029	2.3
123.04292	3.5
124.11135	2.0
127.03754	3.0
131.04802	0.9
131.08430	2.4
133.10013	1.8
136.07516	1.0
140.14133	0.9
145.04880	1.0
145.09949	1.5
147.04283	1.3
147.11632	1.0
159.09018	1.9
161.05865	1.4
161.09557	0.7
163.03856	1.9
171.11584	1.1
173.05994	7.1
175.07397	1.7
180.84531	0.8
187.07368	1.1
187.10722	1.7
189.12579	1.8
195.07889	1.2
195.10855	0.8
196.17026	3.7
199.07295	0.8
207.13727	4.2
215.10284	1.0
224.19933	2.7
227.10840	0.8
229.12152	1.6
328.18649	1.4
332.29453	44.7
333.29669	3.1
342.25635	0.7
350.30356	4.6
351.30777	0.9
355.99170	0.9
368.31622	1.1
398.26727	4.5
508.01785	0.8
512.26025	1.5
512.33728	28.4
513.34222	5.1
513.41595	0.8
530.34772	100.0
531.35101	12.9
551.21643	1.2
674.39233	6.0
692.40265	78.3
693.30713	1.2
693.40607	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	693.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45542	0.7
69.66833	3.1
77.56935	0.6
98.97649	0.6
133.28032	0.6
196.62347	0.6
230.76360	0.7
268.18576	0.6
372.67856	0.7
395.87149	0.7
399.33679	0.8
693.34564	100.0
694.34875	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05160	0.4
58.79915	0.4
74.36316	0.5
74.53637	0.5
98.97602	0.8
101.81890	0.5
103.94828	0.5
104.69109	0.5
183.32587	0.6
321.04947	0.8
385.53165	0.5
693.34540	100.0
694.34839	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	694.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05513	4.0
56.05011	1.6
57.07064	1.2
57.91574	1.2
58.06615	1.5
61.02926	1.8
63.95698	1.1
67.05506	7.5
69.03427	9.4
69.07087	2.2
70.06593	48.1
71.04993	17.2
71.06909	1.3
71.29889	1.3
72.08157	12.0
73.02906	1.8
79.05506	3.6
79.45953	1.3
81.03422	8.9
81.07057	4.3
83.04964	1.5
83.08642	4.8
84.08144	5.4
85.02905	61.9
85.06544	35.9
85.96039	1.2
86.03233	1.8
86.06879	1.7
86.09701	10.3
86.21323	1.3
91.05485	7.8
93.07065	11.4
95.04976	1.7
95.08598	6.3
97.02899	19.5
97.06547	5.2
98.06050	2.4
98.09701	1.8
98.61896	1.2
99.04459	29.8
100.11301	1.5
103.03941	81.6
104.04254	1.5
105.07030	10.0
107.08594	25.5
109.02877	12.2
109.06516	9.6
109.10145	3.7
110.07128	2.3
111.04507	1.6
111.08086	8.4
115.05509	1.7
116.07069	2.1
117.07029	4.6
119.08591	4.7
120.08122	4.1
121.10139	16.2
123.08064	25.8
127.03916	92.6
127.08680	3.3
129.10260	2.4
131.08620	8.0
133.10106	11.1
135.08034	14.5
136.07599	2.7
145.04961	63.3
145.10138	3.1
146.05362	1.9
147.04359	2.3
147.08073	1.7
147.11685	4.2
149.13272	5.7
155.08160	3.7
156.11371	1.9
158.10876	1.8
159.98201	1.4
163.06018	100.0
164.06432	2.7
169.13367	8.0
173.13240	17.7
187.06027	3.9
191.14323	51.5
192.14688	1.7
197.12956	3.8
205.07117	4.6
271.08179	11.9
285.19336	1.6
289.09119	15.4
307.10226	57.5
308.10596	3.4
385.59863	1.4
498.33899	5.6
519.91730	1.3
616.96582	1.4
644.37476	2.7
693.90161	1.8
694.41443	9.2
710.41638	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	694.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01887	1.4
55.05516	12.3
57.03446	5.3
57.07078	4.4
61.02934	27.3
65.03950	1.8
67.05511	78.5
68.05847	1.7
68.26172	1.2
69.03437	4.1
69.07080	18.4
69.49975	5.7
71.04990	2.8
71.08636	2.1
73.02926	10.5
73.54906	1.1
75.04478	1.1
79.05499	43.5
81.03426	2.0
81.07066	80.3
82.07429	1.1
83.04973	1.4
83.08620	8.6
85.02909	32.7
85.06560	2.8
91.03963	27.4
91.05484	26.6
93.07054	57.6
94.07373	1.6
95.04980	2.3
95.08614	69.4
96.08988	1.7
97.02889	15.9
97.06541	4.3
97.10170	3.2
98.22597	1.3
99.04451	2.3
99.08109	4.0
105.07034	17.0
107.08606	39.7
109.02874	1.4
109.06507	1.9
109.10168	40.1
111.08086	2.5
113.09721	1.3
115.03930	1.9
117.07028	8.6
119.08605	17.6
121.10155	36.9
123.08006	1.3
123.11715	19.2
125.09598	1.6
127.03931	8.8
131.08580	20.7
133.10144	16.2
135.11702	29.6
137.09598	2.4
137.13295	5.2
139.11229	2.1
145.04968	13.8
145.10144	15.6
147.11708	10.9
149.13272	24.8
150.09099	1.2
150.68774	1.1
151.11143	1.9
151.14861	3.1
153.12746	1.7
159.11711	15.0
161.13261	11.3
163.06023	24.0
163.14822	15.0
165.12778	2.3
173.13298	18.3
175.14812	3.3
177.12785	2.1
177.16402	7.6
179.14404	2.7
187.14842	9.4
189.16544	1.5
191.14307	2.2
193.15862	1.2
201.16391	3.4
215.17818	1.4
219.17432	2.6
233.22676	2.9
235.83797	1.2
243.21094	35.4
244.21474	3.6
252.92612	1.2
261.22156	100.0
262.22501	6.5
263.23633	2.2
279.23291	6.8
335.25833	33.3
336.26111	2.4
353.26880	55.3
353.31238	2.6
354.27161	4.1
471.81870	1.3
497.30939	5.0
514.33057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
53.74480	1.7
55.01840	3.1
55.05517	11.0
57.03426	7.1
57.07056	2.2
61.02929	36.8
65.03931	3.6
67.05503	75.4
69.03426	3.1
69.07066	9.3
71.05003	4.7
71.08636	2.3
73.02921	9.4
79.05493	43.2
79.05956	2.2
81.03419	2.7
81.07053	73.6
82.07410	2.9
82.86475	2.0
83.08628	5.5
85.02900	36.1
85.06524	3.1
91.03950	30.9
91.05473	22.1
93.07039	58.9
95.08606	56.3
96.08961	2.7
97.02871	14.2
97.06586	2.3
97.10166	3.8
98.22562	3.8
98.28551	2.1
103.72169	2.0
105.07037	17.7
107.08588	35.2
109.10158	28.9
117.07038	5.4
119.08561	16.0
121.10140	33.5
123.11717	14.6
125.09633	3.4
127.03929	9.0
131.08548	22.4
133.10106	14.4
135.11678	27.1
135.32092	1.8
137.09586	3.0
137.13228	6.1
145.04922	10.9
145.10159	11.8
145.11108	2.0
147.11659	12.2
149.13228	20.3
151.14827	2.6
158.07140	1.9
159.11700	14.6
161.13264	9.0
163.06020	24.3
163.14784	18.0
165.12689	2.1
173.13254	15.1
175.14757	2.5
177.16418	6.5
179.14284	2.3
187.14833	9.7
201.16386	3.3
205.15857	3.5
219.17514	2.1
233.22583	2.3
243.21082	36.1
261.22134	100.0
262.22485	5.3
279.23340	3.0
335.25754	18.2
353.26871	48.0
354.26874	4.1
391.29999	2.4
394.46561	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	696.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01863	1.7
55.05506	2.1
56.05030	1.1
56.39882	0.8
57.03440	1.4
61.02917	2.0
61.20297	0.9
65.92074	0.8
67.05502	2.0
69.03430	6.1
69.07062	4.4
70.06594	15.0
70.88876	1.8
71.05000	4.1
72.08163	18.6
73.02926	6.9
79.05493	1.3
81.03428	11.8
81.07050	4.1
83.04996	1.4
83.08595	1.4
84.04492	1.2
84.08148	3.6
85.02909	52.2
85.41223	0.9
86.09719	7.3
87.04474	2.4
91.05486	2.6
93.07049	2.3
95.04969	1.6
95.08617	3.4
97.02892	32.8
99.04458	42.9
100.04780	1.1
103.03944	72.6
105.07021	5.9
107.08598	2.6
109.02882	23.0
109.10169	2.0
115.03968	1.6
119.08588	16.5
120.08138	4.2
120.08883	1.3
121.10146	2.1
127.03918	100.0
127.08708	2.4
128.04254	1.8
129.10239	1.2
129.14058	0.9
131.04942	1.6
133.10141	19.0
135.11699	1.9
136.07584	2.2
137.05966	1.2
145.04962	52.2
145.10143	1.1
147.11713	2.0
155.08134	1.8
159.09215	1.3
159.11769	1.1
163.06027	34.6
169.04984	1.2
175.14828	50.0
176.15216	2.3
177.05429	1.8
187.05995	2.0
193.15881	6.7
199.06065	1.3
205.07101	1.5
217.13324	0.9
222.69098	0.9
253.07092	4.5
271.08118	23.0
272.08554	1.7
277.18112	0.9
289.09207	15.6
289.39850	0.8
302.14877	1.3
307.10187	15.9
319.57712	0.9
499.66248	0.9
516.31573	1.0
525.30914	1.2
696.36115	6.8
696.86359	1.4
697.25916	1.6
697.36700	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	696.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05508	3.2
56.05031	0.5
57.71001	0.4
59.71450	0.4
67.05498	0.6
69.03423	1.6
69.07061	8.5
69.18219	2.8
70.06254	0.7
70.06596	8.3
70.11039	0.5
72.08157	2.7
74.06062	0.6
79.05479	1.3
81.03406	1.5
81.07054	1.4
83.08616	2.0
84.04507	0.6
84.08130	2.2
85.02903	8.1
86.09711	5.8
87.10069	0.5
90.02608	0.4
91.05489	3.2
93.07031	0.9
95.04950	0.7
95.08612	1.9
97.02904	2.3
99.04459	5.2
100.11224	2.4
101.07177	0.6
103.03939	9.0
103.05488	0.7
105.07037	8.2
106.98334	0.4
107.08595	2.0
107.37113	0.5
109.02861	2.1
112.08773	0.5
116.07101	0.9
117.06996	0.8
119.08582	32.6
120.08141	2.4
120.08858	0.8
120.91067	0.4
121.10133	1.4
124.68725	0.4
127.03065	0.7
127.03920	9.5
129.06555	0.6
129.10236	1.7
131.08577	1.0
133.10130	26.6
134.10435	1.0
136.07549	1.0
137.96243	0.4
143.11778	1.1
145.04968	5.7
145.10115	2.3
146.10893	0.5
147.11659	4.7
155.08212	0.6
159.11653	0.4
160.12473	0.8
163.05986	4.5
166.08675	0.7
171.11322	0.5
173.13258	1.3
175.03906	0.6
175.14819	100.0
176.15164	5.4
182.15399	1.3
187.06013	0.6
193.15880	0.7
201.12317	0.8
202.12616	0.7
207.06491	0.6
210.14857	1.0
213.12381	1.3
229.11855	0.8
266.23557	0.4
267.29318	0.4
297.81345	0.5
307.10162	1.2
696.37927	1.3
697.52130	4.0
702.99908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.25384	0.4
55.01859	0.7
55.05272	0.5
55.05513	4.9
56.05021	1.1
57.03426	1.0
57.07073	1.0
58.06589	0.9
62.82031	0.5
67.05516	3.0
69.03423	3.0
69.06728	0.6
69.07065	7.2
70.06593	24.5
71.04961	1.3
71.06898	1.3
71.67458	0.4
72.08154	8.2
73.02904	0.5
74.06058	0.5
77.03961	0.4
79.05482	4.1
81.03413	2.5
81.07050	5.6
82.06601	0.4
82.56181	0.4
83.04997	0.6
83.08619	2.6
84.04499	1.4
84.08151	2.8
84.92358	0.5
85.02422	0.9
85.02901	11.4
85.06537	0.8
86.09705	5.7
87.04462	0.5
88.03957	0.5
89.06018	1.3
91.05476	7.3
93.07047	6.4
95.04951	1.8
95.08052	0.6
95.08610	8.3
95.09179	0.5
97.02884	4.4
98.06066	0.6
98.09691	0.5
99.04457	3.8
99.08057	1.1
100.11246	5.4
101.07137	1.3
101.11580	0.8
102.09167	0.6
103.03936	8.3
103.05425	2.2
105.07028	20.1
106.07400	1.1
107.04964	0.6
107.08591	9.8
108.08928	0.5
109.02862	2.9
109.06523	0.7
109.10160	2.6
110.07159	2.1
112.08714	0.9
113.07123	1.3
113.09696	0.6
115.05493	0.6
115.08662	1.3
116.07088	6.5
117.06979	1.4
119.04885	1.4
119.08576	43.6
120.08105	28.0
120.08888	1.4
121.08455	2.3
121.10140	7.9
123.08054	1.2
123.11704	1.6
127.03918	12.6
127.08651	0.5
128.10686	1.6
129.10202	1.7
131.08549	1.9
132.08023	0.4
133.10123	42.4
134.10455	2.1
135.08102	0.5
135.11676	9.2
136.07564	1.1
137.06010	2.1
137.06908	0.5
137.09598	1.6
141.10239	0.7
143.11746	0.8
145.04950	7.8
145.10097	2.1
147.04382	1.1
147.11668	6.3
149.13264	1.9
152.14915	0.5
155.08171	1.0
159.07619	0.7
159.09108	0.6
159.11630	0.6
160.12425	1.4
163.06018	9.6
163.07344	0.7
167.07065	0.7
169.09906	0.6
173.13190	2.2
175.03943	2.3
175.07553	1.1
175.14816	100.0
176.15118	4.9
177.10223	0.8
177.16373	2.5
182.15401	1.7
183.14784	0.6
187.06006	0.8
187.14685	0.5
193.15880	14.8
194.16208	1.2
195.11400	0.6
203.11804	0.6
205.06927	0.5
205.09723	0.5
207.06514	4.3
209.16423	0.6
210.14835	0.9
211.15337	0.6
215.05386	0.8
237.13419	1.1
263.13950	1.8
264.14047	0.5
271.08191	2.1
276.13309	1.7
288.08060	0.5
289.09012	1.3
307.10229	5.1
319.18289	0.5
337.20139	1.0
339.69092	0.5
341.68604	0.5
385.31204	0.5
407.24518	0.7
487.16232	0.8
550.76904	0.5
677.50012	0.9
678.49927	2.9
695.50104	0.8
696.38226	3.9
696.50897	2.2
697.38062	0.7
697.51788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.05513	3.9
56.05016	0.4
57.03429	0.6
57.07059	0.9
58.06592	0.5
61.02923	0.4
65.03947	0.3
65.13900	0.3
67.05494	1.5
67.86613	0.3
69.03432	2.4
69.07071	8.4
70.06598	14.2
70.19109	1.3
71.04998	1.1
71.06921	0.4
72.08157	6.2
72.52971	0.3
73.02901	0.6
74.06085	0.4
79.05495	3.0
81.03416	1.9
81.07059	4.7
83.04982	0.5
83.08630	2.0
84.04494	0.7
84.08144	1.2
85.02908	11.3
86.09706	2.5
89.06035	1.0
91.04960	0.7
91.05481	6.6
93.07048	6.4
95.04986	1.6
95.08607	8.9
97.02903	4.5
97.06542	0.4
99.04446	4.2
99.08102	1.1
100.11269	1.6
101.07141	1.0
103.03944	8.7
103.05454	2.1
104.05766	0.4
105.07032	20.6
107.08595	10.7
109.02890	2.3
109.06499	0.6
109.10166	2.1
110.07160	0.9
111.04477	0.4
112.07537	0.4
112.08736	0.5
113.07143	0.6
113.09657	0.5
114.10120	0.4
115.08681	1.0
116.07092	4.6
117.06988	1.0
119.04901	0.8
119.08583	42.6
120.08111	21.6
120.08885	1.6
121.08452	2.0
121.10148	6.4
123.08049	0.8
123.11703	1.4
127.03927	12.1
127.04906	0.8
127.08676	0.5
128.04268	0.3
128.10689	0.4
129.06609	0.8
129.10229	1.3
130.06454	0.4
131.08553	1.5
133.10133	40.3
134.10458	1.5
135.11694	10.1
136.07578	0.8
136.12024	0.7
137.05960	0.5
137.09612	1.2
141.10172	0.3
145.04965	8.7
145.10114	2.7
147.04477	0.5
147.11687	5.8
149.13257	1.5
151.11130	0.3
155.08115	0.6
159.09209	0.4
159.11716	0.7
160.12459	1.6
161.13275	0.4
163.06024	10.3
167.07030	0.5
173.05594	0.4
173.13275	2.1
175.03981	0.7
175.14827	100.0
176.15154	5.2
177.10175	0.4
177.16371	2.5
183.14857	0.4
187.05888	0.4
191.11771	0.4
191.14189	0.4
193.15878	15.9
194.16161	0.6
205.07104	0.6
207.06580	2.3
210.14899	0.6
237.13457	1.0
254.16090	0.5
263.13928	1.0
271.08118	1.3
276.13458	1.8
289.09131	1.6
301.18015	0.3
307.10275	5.6
308.17038	0.5
321.61115	0.4
337.19925	0.8
355.21042	0.5
574.81866	0.4
678.49115	1.2
696.37354	2.7
696.50623	0.7
697.37555	0.4
697.51715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85216	0.7
55.05508	1.9
56.05039	6.5
63.03672	0.7
67.05505	2.3
69.07066	10.2
69.43435	3.4
69.43845	1.0
71.08625	0.7
75.98490	0.6
79.05479	1.4
81.07049	2.8
83.08641	0.9
86.09702	100.0
87.10041	1.6
91.05460	1.3
93.07034	3.0
94.06574	0.9
95.07330	0.9
95.08609	1.5
97.06546	1.1
98.09687	9.4
105.07010	1.0
107.08592	1.3
108.08124	0.7
112.11236	16.0
113.07109	0.9
113.11572	0.9
114.09153	1.6
119.08584	1.1
121.10153	1.1
122.09704	0.8
141.13878	0.9
143.11775	5.9
148.61105	0.8
154.15877	5.2
158.11722	0.9
167.11703	0.7
169.13358	27.8
170.13812	0.9
171.11354	2.1
173.15384	3.1
180.91628	0.8
197.12836	6.4
211.18059	10.9
215.13898	0.8
225.12445	0.8
228.16032	1.9
229.14342	1.9
235.18039	2.0
239.17543	3.7
242.66818	0.8
246.17030	1.7
250.25404	0.9
253.19206	1.2
255.20105	1.0
262.25250	4.0
272.18750	0.9
281.18741	1.9
295.18924	0.6
300.18115	4.3
303.19119	1.5
329.20642	1.3
357.20145	2.4
359.25381	0.9
367.90131	0.7
371.25729	0.8
385.26923	4.2
391.93774	0.7
394.27017	1.1
413.26566	9.8
416.27377	1.4
442.28958	6.3
470.28604	18.3
471.28812	1.4
498.35635	1.6
510.35324	3.1
510.61087	0.9
516.47144	1.3
526.34705	5.4
534.82513	0.8
538.34924	4.9
555.37531	7.8
565.35907	1.6
583.37036	17.7
584.36719	2.1
623.43207	2.1
651.43817	3.6
668.45911	5.3
678.44617	1.4
696.43073	2.5
697.42993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03941	1.7
54.27017	0.2
55.01856	0.3
55.05512	7.4
56.05037	4.0
56.05303	0.4
57.03442	0.4
57.07072	3.0
58.02930	0.3
58.06586	0.7
59.24679	0.2
59.26276	0.2
60.04523	2.3
60.23528	0.2
61.02910	0.6
65.03937	0.9
67.04261	0.6
67.05504	13.6
68.05036	1.0
68.05829	0.4
69.03432	2.5
69.07069	9.1
70.06591	2.4
70.54797	0.5
71.04982	0.2
71.08625	1.9
72.96695	0.2
73.02895	0.3
76.03983	0.3
78.65086	0.2
78.87892	0.2
79.05492	11.5
80.05014	4.1
80.05791	0.3
81.03416	1.1
81.05796	1.6
81.07058	11.7
82.06576	8.0
83.08141	0.4
83.08615	5.2
84.08133	0.7
85.02911	3.9
85.10162	0.9
86.06052	0.3
91.03958	0.4
91.05478	9.7
92.05777	0.3
93.05794	0.9
93.06467	0.4
93.07045	9.5
94.06567	20.4
95.04966	1.2
95.07354	8.9
95.08606	9.1
95.09090	0.2
95.09229	0.3
96.08128	6.7
96.08789	0.3
97.02872	1.5
97.06510	0.4
97.10168	2.7
98.06063	0.5
99.04434	0.2
100.07628	0.5
103.05469	0.2
105.04521	0.5
105.07030	5.7
106.06556	0.4
107.07385	0.5
107.08593	5.8
108.08108	3.3
109.02839	0.3
109.06499	0.2
109.10153	3.2
110.09688	0.5
111.11694	0.9
114.09116	0.3
117.06999	0.5
119.07777	0.4
119.08582	5.9
120.08086	0.5
120.08876	0.4
121.08865	0.4
121.10149	6.3
122.09669	2.9
123.11716	1.4
124.11233	0.5
127.03889	0.6
131.08545	0.3
133.10118	4.1
134.09686	0.5
135.10428	0.7
135.11684	3.1
136.11182	0.8
137.13245	0.7
145.04933	0.6
147.11656	1.4
149.13254	0.8
151.14819	0.6
161.13234	0.7
163.14755	0.5
168.17459	0.2
175.14789	0.3
182.19026	0.3
193.07211	0.2
193.19487	0.5
196.20645	0.3
203.17996	0.2
206.74805	0.2
210.29048	0.2
219.21103	0.8
220.20599	0.3
233.22636	2.8
234.22215	0.5
237.22156	0.3
245.22646	4.4
246.22987	0.3
247.24182	0.3
248.23697	0.2
250.25287	6.6
251.25610	0.4
252.19798	0.3
254.24707	1.3
260.23834	0.2
262.25290	100.0
263.25687	8.3
264.26904	0.8
272.25854	4.5
273.26141	0.2
280.26340	5.8
281.26599	0.4
282.24203	0.3
312.25235	0.6
314.26990	0.2
327.52847	0.2
363.68860	0.3
442.31503	0.7
504.47818	2.6
505.47925	0.4
516.47772	18.9
517.48181	3.4
518.49310	7.0
519.49377	0.7
534.48712	4.4
535.48987	0.9
547.58502	0.2
553.33154	0.3
599.49432	0.3
696.54034	1.9
697.53937	0.4
709.84833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01869	0.4
55.05510	4.0
56.05040	2.9
57.03419	0.4
57.07080	2.9
58.06587	0.7
60.04319	0.2
60.04528	2.2
61.02912	0.7
65.03930	0.7
66.05827	0.3
67.04248	0.3
67.05502	10.4
68.05008	0.7
68.05824	0.3
68.07101	0.2
69.03430	2.1
69.07065	6.4
70.06593	2.0
70.94954	0.5
71.04979	0.3
71.08624	1.5
72.04501	0.3
73.85199	0.2
76.03986	0.3
79.05494	8.3
79.05964	0.4
80.05014	2.7
81.03410	0.7
81.05788	0.9
81.07053	8.9
82.06580	5.6
83.08619	3.4
84.08156	0.5
85.02898	3.3
85.10172	0.7
86.06071	0.3
91.05476	7.3
93.05791	0.3
93.06468	0.6
93.07042	9.1
93.07629	0.5
94.06567	14.5
95.04950	0.7
95.07355	6.2
95.08603	7.1
95.43274	0.3
96.07569	0.3
96.08134	4.9
96.08807	0.3
97.02907	1.6
97.06548	0.4
97.10154	2.2
97.45171	0.2
98.06050	0.3
99.04440	0.3
105.04475	0.3
105.06371	0.4
105.07031	5.3
106.06590	0.3
107.08586	4.3
108.08109	2.8
109.02878	0.3
109.10146	2.5
110.09659	0.4
111.08051	0.3
111.11723	0.5
117.07001	0.5
119.08572	5.2
121.08854	0.4
121.10138	5.3
122.09650	2.6
122.10452	0.3
123.11684	1.6
124.11205	0.3
127.03909	0.7
133.10135	3.3
134.09621	0.3
135.11670	2.9
136.11211	0.9
137.13222	0.5
145.04976	0.4
147.11673	1.2
149.13229	0.9
151.14839	0.5
161.13242	0.9
163.14856	0.4
175.14772	0.5
191.18135	0.4
209.12152	0.2
219.21072	0.6
227.28540	0.3
233.22627	2.7
234.22171	0.8
237.22113	0.2
245.22633	4.3
247.24066	0.3
250.22963	0.2
250.25323	5.0
251.25586	0.8
254.24783	1.7
260.23639	0.5
262.25287	100.0
263.25687	7.5
264.24219	0.3
264.26874	0.8
272.25821	4.0
280.26306	5.5
281.26614	0.4
312.25327	0.7
314.26987	0.4
390.29007	0.3
442.31793	0.6
459.14581	0.3
504.47662	3.0
505.47891	0.7
516.47760	22.6
517.48108	3.3
518.49249	7.2
519.49542	1.0
534.48792	5.1
535.49017	0.9
598.48383	0.3
696.53760	2.6
697.53845	0.3
712.36963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.9
60.04530	1.6
61.02948	1.1
69.03432	3.9
69.69128	4.5
70.06609	1.5
80.75125	0.8
81.03410	4.0
81.57208	0.9
84.04507	43.5
96.04488	20.9
96.05106	1.3
97.02898	2.9
97.81035	0.8
98.06055	7.2
99.04475	1.4
102.05546	6.8
102.33133	0.8
104.48515	0.9
109.02882	3.1
110.06036	1.3
116.07109	6.6
117.07492	0.8
126.05518	46.8
127.03917	1.1
127.05836	1.3
130.04990	6.2
138.05502	100.0
139.05913	1.6
140.07019	0.9
144.06557	20.8
148.06047	27.8
149.53398	1.0
168.06578	20.0
168.07957	1.7
186.07610	16.1
187.07901	1.3
204.08665	44.5
205.08946	0.9
210.13422	0.9
222.09715	8.4
273.10809	1.5
286.59067	1.1
287.12979	1.0
291.11859	12.1
295.88727	0.9
301.13907	6.6
329.13449	13.3
476.18784	8.1
477.19168	1.0
615.33820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05519	0.5
56.05031	1.7
60.04514	1.1
60.11691	0.5
61.02927	0.9
65.07613	0.4
68.05006	0.5
69.03429	2.9
70.06591	0.9
70.86632	0.8
72.04519	0.6
80.04979	1.0
81.03403	2.6
82.00333	0.5
82.06587	0.9
83.04988	0.6
84.04507	52.0
85.02901	0.7
85.04836	0.9
96.04492	19.5
96.06459	0.5
97.02883	2.9
98.06059	8.0
99.04452	1.2
102.05537	6.9
108.04466	0.6
109.02870	3.6
114.05499	0.6
116.07095	8.8
126.05517	50.3
127.03931	1.5
127.05883	1.1
130.05008	6.8
138.05504	100.0
139.05812	2.9
144.06557	22.4
145.17252	0.4
148.06047	33.2
149.06377	0.8
156.06648	0.5
168.06567	18.7
169.06833	0.6
186.07619	15.6
204.08672	42.1
205.09160	1.2
222.09727	8.6
230.10245	0.5
273.10873	1.5
291.11868	15.5
301.13934	5.7
329.13440	14.4
330.13770	0.7
339.35074	0.5
347.14523	1.5
360.78525	0.5
476.18735	7.9
477.19104	0.7
496.47934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90026	0.2
55.05512	0.5
58.06595	0.3
60.04526	0.8
65.03946	0.2
65.96891	0.3
67.05475	0.4
68.05010	0.3
68.73250	0.2
69.03420	0.9
69.07058	0.5
69.70930	0.5
69.71326	0.6
70.06587	100.0
71.04996	0.4
71.06921	1.5
72.08149	2.1
74.52196	0.3
75.99422	0.2
77.29812	0.2
81.03403	0.5
81.07067	0.7
84.04496	0.6
84.08124	1.1
85.02910	1.2
86.09701	11.1
90.37511	0.2
91.05473	5.0
93.07061	0.5
95.08570	0.3
97.02882	0.5
98.09676	0.4
98.42397	0.2
99.04443	0.5
100.11250	0.9
102.05524	0.8
103.03918	0.5
103.05470	0.9
105.07045	0.5
107.04935	0.5
107.08544	0.3
108.07999	0.3
108.73205	0.2
109.02861	0.9
109.10148	0.3
110.07152	0.6
115.08674	0.6
116.07076	0.5
118.06530	0.3
119.04939	4.2
119.08597	0.4
120.06595	2.4
120.08097	32.6
121.06506	0.6
121.08443	1.1
121.10085	0.4
121.77815	0.2
125.10725	0.6
126.05466	0.4
127.03899	1.2
127.08669	42.0
128.07057	0.6
128.09021	0.9
128.10629	0.5
129.10223	1.0
130.04974	0.7
130.06520	0.7
132.08061	0.6
136.07568	35.8
137.07870	1.0
138.09116	0.3
145.05025	0.4
145.10115	0.3
146.05989	0.3
147.04344	0.6
148.07539	0.5
149.13274	0.3
153.10214	1.0
155.08141	31.4
156.08467	0.8
163.03853	0.6
163.06055	0.3
169.13365	0.5
175.03877	0.4
177.05498	0.3
181.09712	3.9
182.15353	0.3
188.14340	1.0
195.14873	0.6
197.12903	0.3
204.13815	0.5
207.06479	0.7
210.14804	0.6
213.14691	0.3
217.13351	13.7
218.13696	0.7
238.12247	1.5
245.12852	8.2
249.12337	1.6
249.15976	5.2
250.15668	0.4
261.16168	0.3
262.15500	0.6
267.10712	0.5
267.13397	5.5
268.13446	0.3
268.16486	0.3
271.01535	0.3
274.15482	3.6
276.69940	0.3
277.12122	0.3
277.15396	1.0
278.15155	0.4
296.15952	0.8
302.14972	14.0
303.15289	0.6
318.14200	0.5
334.17560	1.1
346.17477	2.2
351.20483	0.5
364.18613	14.1
365.19022	1.3
379.20029	0.8
385.18414	0.6
387.23798	0.8
389.18048	0.6
397.22397	0.3
403.19626	4.9
404.19092	0.4
415.23285	0.6
421.20789	21.3
422.21078	2.1
431.22647	0.5
436.22131	0.4
437.21954	0.4
462.19241	0.3
465.20966	1.0
505.27963	0.5
533.27338	0.4
534.29321	1.5
544.27832	1.2
550.30310	4.2
551.30115	0.6
560.28668	0.4
578.29529	3.0
579.29456	0.3
679.34302	2.2
697.35846	7.2
698.35529	1.5
728.49524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05499	1.2
55.44783	0.4
56.05039	0.7
57.03439	1.0
58.06593	1.0
61.02920	0.4
67.05485	1.1
68.32810	0.3
68.99663	3.6
69.03425	2.8
69.07053	0.7
70.06591	14.4
71.04984	0.5
71.06919	1.0
72.08154	20.5
73.02914	0.6
73.08492	0.3
78.04712	0.4
79.05489	0.6
81.03412	3.9
81.07051	1.6
82.06602	0.4
83.08618	0.7
84.04498	1.2
84.08141	2.1
85.02908	4.3
86.09708	3.2
89.03912	3.8
91.05479	0.9
93.07036	0.7
95.04966	1.1
95.08584	0.7
97.02892	1.7
98.09688	0.5
99.04457	1.0
100.11254	2.6
102.05540	0.4
102.09187	1.4
103.03923	0.5
105.07014	0.5
107.04934	0.4
107.08616	0.4
108.08120	0.5
109.02886	2.2
109.10162	0.5
110.07153	0.9
111.04453	0.5
112.07561	0.3
115.08694	0.6
116.07092	0.4
117.03377	11.0
118.03738	0.4
119.04890	0.4
120.08112	1.6
121.06611	0.4
121.10158	0.4
125.95649	0.3
127.03894	1.5
127.08656	0.7
128.10713	1.2
129.10234	1.1
134.03647	0.9
135.04425	1.1
136.07587	1.7
137.05989	0.3
145.02849	38.6
146.03198	1.2
149.05978	4.0
155.08147	0.9
161.05910	0.4
163.03914	4.5
167.08067	0.4
168.10271	0.3
177.05466	100.0
178.05809	4.1
180.08870	0.4
182.15440	1.0
186.05534	0.5
195.06581	1.6
199.10860	0.4
209.16438	0.4
210.14888	1.0
215.13995	0.6
262.89761	0.3
270.10834	1.5
280.20761	0.3
294.27887	0.4
297.07538	1.0
300.06137	0.4
306.75226	0.4
310.27264	1.1
321.09705	3.8
339.10788	9.6
356.27930	2.0
368.22278	0.4
374.28955	5.8
392.73080	0.4
404.24237	1.1
533.23932	0.6
536.34552	0.6
549.98444	0.3
680.37830	1.4
697.52075	2.0
698.32080	2.5
698.38983	6.1
698.52643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01855	0.3
55.05502	0.6
56.05017	0.6
57.03431	0.6
58.06604	1.5
61.12713	0.2
65.03938	1.4
67.05500	2.6
69.03429	1.6
69.07058	0.5
69.98803	0.5
69.99192	0.5
70.06592	5.0
71.04984	0.5
71.06876	0.3
72.08160	4.0
73.02923	0.3
74.06088	0.2
79.05479	0.8
81.03419	1.5
81.07053	1.4
82.06567	0.3
83.04987	0.3
84.04496	0.2
84.08146	2.4
85.02906	2.6
85.06513	0.3
85.08923	0.4
86.09706	2.0
91.05481	6.6
92.05776	0.3
93.07044	1.0
95.04967	100.0
95.08611	0.9
96.05289	1.9
96.08120	0.8
96.70168	0.2
97.02903	1.2
97.06532	0.4
98.09691	0.9
99.04451	2.2
100.11254	0.6
102.09177	11.1
103.03957	1.7
103.05465	0.4
105.03449	0.3
105.07034	1.0
107.04942	0.7
107.07340	0.3
107.08564	0.4
108.08110	0.3
109.02895	1.4
109.06503	0.7
110.07171	0.4
110.09689	0.6
115.05447	1.0
117.03405	0.2
117.07022	5.3
119.04903	0.2
120.08109	1.8
121.08400	0.3
122.09678	3.1
123.10485	1.2
127.03907	2.8
127.08677	0.7
128.06216	0.3
128.10715	0.4
129.07011	1.4
129.10304	0.3
131.08553	0.6
135.07968	0.3
136.07574	0.9
136.11234	0.8
138.12701	0.3
140.10692	1.5
141.06979	3.9
142.07277	0.3
143.08569	0.9
145.02873	0.5
145.04945	0.5
145.10120	0.3
149.09485	0.3
154.12251	0.3
155.08427	1.0
157.10123	0.9
159.08058	0.2
163.03938	0.8
167.08585	0.4
169.10110	0.4
175.09042	0.2
177.05484	0.5
181.10071	0.6
183.11679	1.4
185.09639	0.2
185.13287	0.3
195.11787	0.4
201.12518	0.2
203.14491	0.2
210.14983	0.2
245.12625	0.3
293.19019	0.3
311.20026	1.8
321.24426	0.2
338.24792	3.6
339.25235	0.5
356.25830	18.7
357.26254	1.2
374.26883	21.0
375.27219	2.2
379.20340	0.2
392.27945	2.9
393.28174	0.3
421.11649	0.2
518.33026	0.5
594.85236	0.2
636.37640	0.2
680.36273	3.0
681.36792	0.4
698.37372	35.4
699.38226	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01876	1.2
55.05512	30.4
57.03439	8.8
57.07076	18.0
61.02926	27.5
65.03929	1.2
67.05505	40.6
69.03418	3.5
69.07068	55.4
71.04998	3.7
71.08636	12.2
71.30534	1.3
73.02915	10.3
75.04475	3.1
75.19090	0.9
79.05495	19.9
81.03439	1.2
81.07059	54.9
82.07397	1.1
83.04966	2.3
83.08620	44.6
85.02906	33.7
85.06547	3.5
85.10185	7.4
91.03956	29.4
91.05471	2.0
93.07043	24.9
95.08608	53.2
96.08928	1.7
97.02896	16.0
97.06527	10.1
97.10172	31.1
99.04465	1.3
99.08096	2.4
107.08590	21.1
109.10162	27.2
109.10915	1.5
111.08105	6.7
111.11726	11.1
113.09675	1.1
115.03954	1.3
121.10142	46.5
122.10477	1.4
123.11723	11.3
125.09648	3.5
125.13264	1.6
127.03909	8.5
129.09119	1.0
135.11694	35.2
136.12021	2.3
137.13248	3.5
139.11229	3.9
143.14304	1.2
145.04973	12.2
149.13258	15.5
151.14764	5.3
153.12770	2.6
157.12274	1.1
163.06004	20.3
163.14842	4.1
165.16330	4.2
167.14362	2.2
169.15929	1.9
171.13788	1.1
177.16412	3.2
184.07336	1.2
185.15335	1.1
191.17969	2.6
195.17439	1.3
199.16971	1.4
205.19624	1.2
239.09610	1.2
247.24210	41.5
247.26721	2.0
248.24551	2.6
265.25256	94.6
266.25687	5.4
283.26309	19.6
284.26862	1.9
339.28934	100.0
340.29276	9.0
357.29971	52.7
357.34448	2.3
358.30261	3.5
388.95932	1.0
396.80927	0.9
501.34027	4.2
698.34753	1.4
699.33258	4.5
729.33215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	34.8
56.93398	2.2
57.03433	7.2
57.07067	16.3
61.02927	39.0
67.05508	41.9
69.00506	2.5
69.03436	5.7
69.07066	53.0
71.04996	4.2
71.08630	12.3
73.02915	13.8
76.59014	2.4
79.05499	19.1
81.03399	3.2
81.07059	53.9
82.43876	2.1
83.08621	42.1
85.02904	44.0
85.10189	6.9
91.03953	25.1
91.05507	4.6
93.07052	28.7
95.08601	51.8
95.09172	4.1
96.26845	2.6
97.02880	16.7
97.06539	11.4
97.10181	27.5
99.08125	4.1
107.08586	20.0
109.10146	27.3
110.83610	2.2
111.08107	7.4
111.11700	10.7
111.12405	2.6
111.75793	2.2
113.09633	2.4
115.03941	2.8
121.10135	48.0
122.10459	2.6
123.11724	12.1
125.09596	3.0
126.38139	2.2
127.03910	11.7
127.11238	2.7
135.11693	34.9
137.13301	4.3
139.11214	2.9
145.04956	15.6
149.13272	20.3
151.14844	8.2
160.80377	2.3
163.05998	27.5
163.14854	6.6
165.16423	5.7
177.16367	2.7
233.11435	2.6
241.86568	2.5
247.24245	40.3
248.24512	3.0
265.25262	100.0
266.25623	8.2
283.26346	22.1
339.28937	85.2
340.29379	7.7
343.20737	2.2
357.29938	53.7
358.30414	5.5
578.24188	2.5
680.26825	6.3
698.28864	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	698.556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19522	4.1
55.05506	5.3
56.06836	4.5
57.07083	6.5
67.05498	13.5
69.07065	5.2
71.29107	4.1
71.29453	7.4
79.05502	6.9
81.07033	9.4
82.06590	8.2
93.07024	9.9
94.06561	24.1
95.08583	8.7
97.10191	4.9
109.10167	6.1
113.15114	4.7
179.15053	4.4
239.09485	5.6
262.25293	100.0
263.25616	8.2
280.26486	13.3
326.46313	4.6
344.13907	5.0
500.48279	9.6
518.49207	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90218	0.1
69.67302	0.6
184.00487	0.1
185.04295	0.7
203.05228	2.1
212.84946	0.2
220.31223	0.2
245.06590	0.2
259.07861	1.2
301.20251	0.5
305.08371	0.5
328.82086	0.2
347.09610	1.1
365.10522	3.0
421.13080	1.2
537.30310	15.9
538.30750	1.7
687.11194	0.2
699.35577	100.0
700.35919	13.8
700.48468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05013	0.3
69.08701	2.0
69.09105	0.7
75.33820	0.3
84.40404	0.3
89.94247	0.3
129.16444	0.4
172.35587	0.3
185.04274	0.7
193.55386	0.3
203.05205	0.4
259.07968	0.4
347.09415	1.8
375.25101	0.4
397.98953	0.3
537.30298	13.8
538.30603	1.7
699.35547	100.0
700.35846	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	700.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
61.02928	0.9
66.04722	0.4
67.13786	0.4
69.03424	1.8
70.06594	0.7
70.74651	0.6
72.98746	0.4
73.02936	0.5
76.90384	0.4
80.83370	0.4
81.03419	1.5
81.07069	0.4
85.02911	5.9
91.05476	0.9
93.03402	0.6
94.04189	1.1
97.02869	2.1
99.04420	0.5
99.36697	0.4
103.05468	1.0
107.04915	0.6
109.06519	1.0
111.04434	0.8
114.16566	0.3
115.05440	5.8
117.07013	1.3
119.04916	0.7
122.03643	4.1
125.05968	1.2
127.03927	1.4
127.17058	0.4
128.06226	1.3
129.06996	4.4
131.04967	2.2
137.05974	73.8
138.06319	2.2
143.03871	0.7
143.04930	8.7
144.05663	1.1
145.04994	1.8
145.06442	1.4
146.03650	0.6
147.08076	0.9
151.03969	0.8
151.07617	0.9
153.05511	1.8
157.06477	4.1
158.07196	0.4
159.04546	0.5
160.05197	14.3
160.06502	0.8
161.05954	2.1
162.07663	0.7
163.06261	0.4
163.07570	2.0
172.05164	2.1
173.06015	0.6
174.06764	1.5
175.07544	100.0
176.07884	4.0
177.09143	0.7
180.08678	0.7
185.05902	0.5
187.07538	35.7
188.07979	1.5
189.09108	6.1
191.08521	0.5
203.08560	1.1
205.08601	25.7
206.08897	1.1
207.09999	0.4
211.07549	1.6
217.08548	3.5
219.08130	1.3
231.08064	1.5
233.09415	0.5
235.09648	33.5
236.09932	1.5
239.07033	1.6
240.07809	0.7
247.07481	1.0
248.08279	1.4
251.10706	0.7
255.06377	0.7
259.07544	1.1
263.10675	2.2
264.07684	0.4
268.07327	0.5
269.08032	0.5
270.08890	1.9
271.09601	3.6
276.07764	1.2
277.08432	0.5
279.10056	2.0
283.09686	0.5
291.10150	5.5
292.10767	0.6
296.10495	0.6
308.10361	0.6
311.12717	3.0
323.12735	6.9
324.13138	0.6
341.09680	0.6
341.13812	11.2
342.14240	1.0
429.67261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01872	1.4
61.02932	1.3
69.03432	3.2
69.60164	3.9
70.06605	4.0
72.08161	3.5
73.02925	0.9
79.05502	1.3
81.03438	2.3
84.08160	1.0
85.02912	10.8
86.09708	1.5
87.04477	0.9
91.05474	5.5
91.80292	0.7
94.04207	1.7
95.04938	0.9
97.02908	3.5
103.05464	5.9
105.07054	3.6
107.04971	2.2
109.02890	1.4
109.06542	1.2
110.07229	0.8
115.05473	3.3
117.07008	2.2
119.04927	0.7
119.08630	4.2
122.03661	4.4
127.03944	2.3
128.06232	1.5
129.07025	3.6
131.04924	13.2
132.05737	4.1
133.06500	2.8
137.05983	100.0
138.06364	3.5
139.07610	1.0
145.04967	1.3
145.06474	1.9
147.08043	7.2
149.06003	2.0
151.07526	1.0
159.08070	1.9
160.05228	2.8
161.05978	12.1
162.06537	0.9
163.07544	23.5
164.08102	0.8
174.06792	1.1
175.07558	77.9
176.07913	2.9
176.29095	0.8
177.09030	1.1
179.07068	1.2
187.07523	7.0
189.09158	1.5
191.08589	4.9
193.08600	4.3
199.07622	4.3
201.09122	1.7
202.07884	1.2
203.08640	2.2
205.08571	1.2
217.08600	1.1
218.07335	1.0
219.08102	7.9
220.08870	1.3
231.08080	3.0
232.50867	0.9
233.09926	1.0
236.08325	1.2
247.07506	3.7
248.08325	2.4
249.09154	1.0
251.10686	11.2
259.07645	2.8
260.08350	1.8
261.09103	1.0
263.10724	1.4
265.08502	0.8
276.07651	0.9
277.08353	0.8
279.10184	8.6
280.10559	1.1
291.10083	6.2
309.11234	1.6
311.12775	33.4
312.13150	3.4
312.92877	0.9
323.12817	19.0
324.13065	1.1
325.14410	10.4
326.14844	1.0
329.13870	1.5
341.13898	6.6
619.96832	0.8
622.44849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05515	0.4
56.05027	1.5
57.03441	0.8
57.05812	0.8
58.06608	0.5
67.02147	0.3
67.05510	0.8
69.03433	2.2
69.07072	0.6
70.06594	7.9
71.05022	0.4
71.29921	0.3
72.08154	100.0
73.02927	0.4
73.08488	2.0
75.55499	0.3
76.26730	0.3
79.05504	0.9
81.03426	1.5
81.07062	1.2
83.08611	0.3
84.04495	0.5
84.08136	1.9
85.02906	3.8
86.09703	3.9
87.04465	0.6
91.05471	1.8
93.07040	0.6
95.08623	0.7
96.08131	0.8
97.02892	2.2
97.06512	0.5
98.09756	0.6
99.04475	1.1
103.03960	0.8
105.07058	0.6
107.04960	3.8
107.08597	0.8
108.08138	0.4
109.02910	1.2
109.10183	0.4
110.07206	0.4
110.09718	0.8
119.04859	0.4
120.08122	0.8
122.09706	0.3
123.52527	0.3
124.11204	2.6
127.03916	2.3
129.10236	0.7
131.08496	0.3
133.06497	0.6
136.07582	0.4
138.09183	0.3
145.10062	0.5
156.25717	0.4
159.08073	0.3
163.03990	0.5
177.05452	0.4
183.15088	0.3
187.11107	0.3
201.12836	0.4
218.73190	0.3
295.20490	0.4
315.50064	0.4
358.27536	0.8
376.28513	5.6
538.34167	1.2
682.38055	1.9
700.39032	47.0
701.40729	6.1
701.49841	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	700.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05035	1.3
57.03427	0.8
57.05816	0.7
58.06588	0.5
61.02930	0.4
65.15267	0.2
67.05506	0.5
69.03428	2.4
69.07066	0.5
69.88660	0.7
70.06592	8.6
71.04981	0.6
71.06970	0.2
72.08156	100.0
73.08488	1.7
75.32348	0.2
79.05491	0.5
81.03420	0.9
81.07070	0.9
83.04977	0.3
84.04507	0.3
84.08140	1.5
85.02906	4.0
85.22091	0.2
86.09704	2.3
87.04453	0.6
91.05466	0.4
93.07046	0.5
95.04960	0.3
95.08604	1.0
96.08140	0.3
97.02903	1.6
97.06541	0.3
97.10182	0.2
98.09711	0.4
99.04491	0.4
100.07602	0.3
102.05622	0.2
105.07040	0.5
107.04953	3.6
108.08124	0.5
109.02881	0.8
109.10171	0.4
114.05583	0.3
119.08470	0.2
120.08108	0.5
123.04437	0.3
124.11238	1.7
127.03934	1.1
129.10246	0.6
133.06471	0.4
133.10130	0.3
135.11697	0.3
136.07593	0.4
138.09087	0.3
141.10269	0.3
144.10237	0.2
145.04962	0.4
145.10123	0.3
147.04469	0.3
147.08047	0.3
149.03633	0.2
154.55908	0.2
156.25783	0.3
175.03909	0.3
183.15016	0.7
187.11128	0.3
201.12665	0.3
207.06422	0.3
277.08508	0.2
358.27310	0.8
361.74667	0.3
376.28421	4.6
377.28815	0.4
396.12555	0.2
538.34198	0.3
618.98743	0.2
663.01984	0.3
663.35443	0.3
682.38275	0.5
700.39001	45.9
701.39038	6.2
701.49695	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	700.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51145	0.2
53.03957	1.1
55.01877	0.8
55.05509	1.4
56.05040	1.1
57.03435	3.0
57.05823	0.5
58.06591	0.7
59.05008	0.4
61.02931	2.4
65.60015	0.3
67.05508	2.3
69.03431	9.1
69.07066	1.2
70.06591	10.5
71.01366	0.3
71.04993	2.0
71.07364	0.8
71.29572	0.4
72.08156	100.0
73.02924	1.8
73.08493	1.6
74.06072	0.4
79.05499	1.4
81.03422	2.9
81.07060	3.9
83.08636	0.7
84.04510	0.7
84.08144	2.4
85.02907	16.7
85.06565	0.6
85.52134	0.3
86.09708	5.5
87.04462	1.7
91.03949	0.7
91.05484	1.4
93.07053	1.9
95.04992	0.7
95.08611	3.8
96.08166	0.4
97.02897	5.9
97.06548	1.0
99.04458	2.2
100.07632	0.5
101.02370	0.6
102.05566	0.4
102.09219	0.5
103.03966	0.4
103.22778	0.3
105.07023	1.1
107.08603	1.1
108.08127	0.3
109.02888	2.1
109.10179	0.3
110.07162	0.5
111.08075	0.6
115.03937	0.6
119.08556	0.7
120.08109	8.3
121.08432	2.1
121.10168	0.9
123.11757	0.7
124.11247	2.4
127.03931	3.5
127.08689	0.4
129.10254	1.4
135.11728	0.4
136.07611	0.5
137.06032	1.0
137.09598	0.3
145.04955	1.9
147.04462	0.3
147.11775	0.6
149.06075	0.3
155.08089	0.6
156.25487	0.4
163.04016	0.3
165.12843	0.4
166.89557	0.3
313.15442	1.5
314.15887	1.3
322.27444	0.3
340.28415	2.4
341.29147	0.3
358.29492	8.2
359.29898	1.0
376.30566	23.7
377.30927	2.1
387.22818	0.8
487.92831	0.3
506.19107	0.4
520.35144	1.4
538.35944	6.7
539.36224	0.7
591.56909	0.4
682.40100	10.6
683.40576	1.1
700.41132	61.5
701.41266	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
57.03196	0.7
57.03425	3.9
57.07077	47.0
58.07398	0.7
61.02927	19.6
62.74935	0.7
65.17168	0.7
66.11457	0.6
67.05505	14.3
69.03416	2.6
69.07069	10.8
69.27905	1.6
69.28309	3.8
71.04989	1.1
71.08632	41.3
72.08938	1.1
73.02908	6.0
74.66111	0.7
75.04482	2.6
77.35838	0.7
78.50092	0.7
79.05481	1.1
81.03425	1.8
81.07059	22.9
83.08618	12.5
85.02904	21.1
85.10184	21.3
86.09714	0.9
86.10551	0.6
89.06034	1.9
91.03953	18.1
93.07045	2.0
95.08606	31.1
96.08929	0.9
97.02891	10.4
97.10170	12.6
99.04434	1.9
99.11744	2.2
104.94324	0.6
107.08570	1.0
109.02894	1.0
109.10152	15.7
111.11726	4.3
115.03979	0.9
123.11692	5.7
125.00005	1.5
125.13272	1.3
127.03905	6.3
136.06221	1.4
137.13231	4.5
145.04974	7.0
163.06017	13.5
168.99863	0.7
184.07376	3.3
193.19643	0.7
249.25804	1.5
267.26834	25.0
268.27103	1.8
285.27875	5.3
288.98303	0.8
326.30771	0.7
336.17136	0.8
341.30502	100.0
342.30875	9.4
359.31564	25.4
360.31796	2.2
427.90793	0.7
464.55093	0.7
498.62878	0.7
541.41925	0.8
590.67749	0.7
607.06696	0.9
609.23248	7.5
641.25812	6.3
646.05841	0.7
700.44641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12554	4.9
55.05513	11.4
56.05050	5.3
67.05512	21.9
67.34303	4.5
69.07088	13.7
71.08655	7.2
79.05493	10.6
80.05042	7.8
81.07095	23.6
82.06586	12.9
83.08612	6.9
90.04958	4.1
91.05492	17.5
93.07065	20.9
94.06606	29.6
95.07374	16.4
95.08620	17.0
96.08121	7.9
98.22641	13.1
105.07002	4.5
107.08651	7.3
109.10143	5.6
119.08603	7.0
121.10172	9.9
122.60524	4.6
149.13235	5.5
170.17137	4.2
175.99631	4.0
219.21211	7.9
229.27841	5.2
231.21104	8.0
236.23671	6.1
248.23767	100.0
249.23969	9.6
262.25327	63.8
266.24911	6.4
272.25989	4.4
490.46246	7.6
493.53845	4.7
502.46140	52.5
504.47733	10.6
520.47577	26.3
585.48468	4.8
682.52283	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09854	0.2
71.07015	0.5
94.78490	0.3
100.25487	0.3
101.17613	0.3
108.13743	0.3
149.34111	0.3
171.12265	0.3
185.04257	0.4
241.14322	0.3
259.08084	0.4
302.75125	0.3
347.09665	0.9
404.94382	0.3
539.31995	13.5
540.32709	1.5
542.00677	0.3
701.37213	100.0
702.37543	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05487	1.2
56.05030	1.5
57.03427	1.0
61.02908	1.5
65.03926	0.9
68.99771	0.8
69.03431	3.5
69.85516	3.0
70.06586	17.5
71.06907	1.5
72.08144	7.1
73.02892	1.1
74.06057	0.9
77.03910	0.9
81.03396	2.2
84.04504	3.4
84.08144	11.9
85.02905	12.0
86.09286	0.9
86.09708	9.2
91.03939	0.9
91.05492	2.0
93.03374	0.9
95.04969	1.6
97.02906	4.4
99.04442	0.8
102.05532	1.7
103.05440	0.7
105.03345	1.4
105.06989	1.2
107.04961	2.0
109.02866	2.1
110.07137	1.5
111.04433	2.6
112.08729	1.2
115.05459	4.9
116.07066	1.4
117.03352	0.9
117.07071	0.8
120.08087	1.2
123.04424	72.0
124.04770	1.5
127.03908	2.7
129.10236	7.6
130.10579	0.8
131.04926	2.1
133.06456	2.1
135.04405	2.9
136.07573	2.0
137.02313	1.0
137.05946	0.8
139.03896	9.4
141.10196	1.3
143.04901	2.6
145.02843	2.1
145.04947	3.5
147.04411	4.0
149.05916	1.8
159.04414	1.4
160.05171	2.5
161.05986	20.8
163.03912	12.5
163.06000	1.1
165.05464	1.5
165.35895	0.7
167.03505	0.9
167.08607	0.8
168.12903	0.8
169.13321	0.8
173.09189	0.9
175.03943	3.5
177.05487	3.0
177.07027	2.1
178.05864	0.9
178.07314	0.7
179.03316	1.6
179.08487	1.1
180.08670	1.3
181.04971	8.2
181.06445	2.0
181.09692	1.0
187.03795	5.7
189.05354	1.0
189.06926	1.1
195.08070	2.7
199.07500	1.0
203.03395	8.7
205.04877	3.2
205.06505	11.1
207.08089	1.5
208.10733	0.7
209.09261	0.8
217.06425	1.2
221.04376	6.5
223.07532	26.0
224.07854	1.6
226.06279	1.0
226.11859	1.6
233.06004	10.5
234.06636	1.6
235.07521	8.7
236.07928	0.8
237.05383	1.4
241.08638	1.8
251.07040	41.7
252.07458	2.5
253.08563	1.5
255.06516	14.1
261.05496	2.3
263.07037	23.9
264.07437	1.3
265.04800	0.8
269.08066	48.4
270.08295	3.9
279.06503	59.2
280.06842	3.3
281.08047	25.4
282.08350	1.6
283.05939	5.3
297.07544	37.2
298.07974	2.8
301.07043	4.8
307.06073	3.3
315.08481	3.9
325.07019	28.6
326.07382	2.1
343.08109	100.0
344.08408	6.9
361.09128	1.7
372.71921	0.7
468.21091	0.8
487.12036	1.0
493.78403	0.8
528.06000	0.7
665.35522	0.7
683.37604	2.2
684.37793	1.4
701.39252	1.3
701.78613	1.2
702.38739	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	702.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.01871	2.6
55.25841	0.7
57.03432	1.7
57.40587	0.6
60.04522	0.9
61.02926	2.9
69.03427	6.6
69.39815	2.7
69.40237	1.6
71.05003	1.0
73.02917	0.8
81.03416	2.9
85.02906	23.4
87.04453	0.8
91.03926	1.1
91.05512	0.7
97.02893	7.0
98.23373	0.6
99.00817	13.3
99.04432	1.5
107.04952	18.4
109.02872	8.0
111.04436	1.7
115.05507	0.7
116.43373	0.6
117.01852	5.8
117.03315	0.9
123.04433	11.0
127.03912	6.4
135.04416	52.5
136.05241	8.8
137.02315	2.3
137.05972	1.4
139.03902	1.7
143.04919	0.9
144.74374	0.7
145.02942	1.2
145.04974	6.5
152.06230	0.9
153.05844	1.2
153.06982	10.3
156.23528	0.8
157.06493	0.9
159.04446	1.1
161.05946	2.6
162.07562	1.5
163.03894	9.8
163.06009	1.9
165.01819	0.9
169.06390	0.7
175.04056	0.8
177.05492	0.8
177.06992	2.1
180.08701	1.1
181.04953	2.7
181.06459	20.2
182.06898	0.7
187.03867	1.2
189.05577	1.1
195.08034	2.4
199.07561	14.9
199.91954	0.6
205.04790	1.4
205.06512	12.5
206.06982	0.6
209.05957	5.2
217.08450	1.0
223.07536	15.9
223.33394	0.6
224.07875	1.3
227.07043	11.3
228.07481	0.8
233.03984	1.2
233.06013	11.5
234.06406	1.6
235.07443	1.0
237.05403	0.8
244.07195	1.6
245.08086	100.0
246.08388	5.8
250.06239	0.8
251.07036	34.0
252.07430	3.4
255.06770	0.9
261.05576	7.7
269.08081	29.9
270.08478	2.4
279.06512	64.5
280.06891	4.9
289.04926	2.5
295.05960	0.7
297.07574	71.9
298.07944	5.8
307.05997	17.9
308.06400	1.9
313.06949	1.4
315.07895	0.7
325.07053	79.4
326.07245	5.8
343.08115	26.4
344.08392	1.6
361.09076	2.9
365.61154	0.7
541.70258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.2
53.03939	0.3
55.01863	0.3
57.03430	0.6
58.22654	0.2
61.02914	1.0
63.02382	0.5
64.01970	0.2
69.03427	2.4
70.62495	0.3
71.04989	0.3
73.02920	0.3
74.66872	0.2
79.05495	0.8
81.03426	1.2
85.02905	8.2
89.03916	4.0
91.03981	0.5
97.02898	3.1
99.00814	0.5
99.04465	0.4
107.04948	1.9
109.02875	1.3
117.03371	5.8
123.04432	0.4
127.03909	2.1
135.04416	13.3
136.04726	0.3
139.03902	1.0
144.06563	0.4
145.02849	10.5
145.04913	2.7
146.03197	0.5
162.07591	1.1
163.03903	100.0
164.04239	3.8
180.08646	2.1
181.04956	40.5
182.05278	1.8
205.04912	0.2
231.06644	0.2
245.08102	1.0
251.07018	0.6
261.06143	0.9
269.07971	0.5
279.06461	0.8
297.07535	1.2
307.08344	0.3
325.06818	0.6
325.09335	0.6
343.08041	0.7
378.11618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01875	2.5
57.03440	1.1
61.02919	1.7
63.02401	0.6
69.03432	5.0
69.61212	2.4
70.06582	1.3
71.01347	1.2
73.02922	0.9
79.05475	1.6
81.03418	2.6
84.08141	0.6
85.02908	17.6
86.09685	0.7
89.03922	3.2
89.20907	0.6
91.03933	1.0
91.05483	1.2
97.02901	5.5
99.00822	13.4
99.04453	0.9
107.04959	16.2
109.02873	4.9
111.04443	1.3
115.05460	2.8
117.01872	5.5
117.03356	3.7
121.02808	0.6
123.04438	10.4
127.03938	3.3
133.06494	1.5
135.04420	53.7
136.05261	6.7
137.02336	2.3
137.05956	1.7
138.62259	0.5
139.03900	2.3
143.04953	3.6
143.51479	0.5
144.06458	0.7
145.02870	6.2
145.04953	5.8
149.02254	0.9
152.06172	0.7
153.07002	9.0
157.06448	0.9
159.04433	1.9
160.05305	0.6
161.05984	17.2
162.07635	1.1
163.03908	74.9
163.06099	2.3
164.04221	2.2
165.01859	1.2
171.08087	1.1
177.05589	0.7
177.06999	1.5
180.08670	3.3
181.04944	13.8
181.06500	16.4
187.03859	4.5
188.04108	0.5
189.05447	0.8
195.08046	1.4
199.07545	14.2
200.07941	0.9
203.03561	0.6
205.04950	14.0
205.06570	5.8
207.06500	1.4
209.05913	5.0
217.08607	0.7
219.50108	0.5
222.06685	0.5
223.07556	7.5
227.07071	8.7
233.04135	12.0
233.06198	4.0
244.07323	0.9
245.08096	100.0
246.08476	4.8
246.27206	0.5
249.82028	0.5
250.06198	0.7
251.07164	18.1
252.07318	1.3
255.06587	1.1
261.05453	4.0
262.70950	0.6
269.08090	15.2
279.06537	36.3
279.62680	0.5
280.07001	2.6
289.04974	1.2
297.07571	37.8
298.07870	1.8
299.09048	1.6
307.05957	9.0
308.06534	1.5
325.07062	47.7
326.07358	3.1
343.08130	24.6
344.08347	1.7
361.09094	4.6
454.99918	0.6
493.71054	0.6
513.99750	0.6
518.06781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97795	1.4
69.03436	3.6
70.06596	7.9
81.03390	1.7
84.08116	2.5
85.02908	13.5
86.09721	1.7
97.02873	4.5
127.03930	2.9
129.07004	4.3
129.10246	2.1
131.08580	5.6
137.06023	2.0
141.06999	4.4
145.04958	3.4
157.06488	3.3
159.08034	3.5
174.06796	11.0
175.07544	3.3
186.06802	3.1
189.09114	21.2
191.10629	1.9
201.09140	8.3
203.10553	1.7
212.70892	1.5
219.10178	100.0
220.10553	6.9
264.36618	1.6
282.48111	1.6
310.09201	1.5
466.32364	1.7
512.23871	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	702.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01863	1.5
55.05500	1.9
55.82010	0.4
56.05038	0.8
57.03437	6.5
58.06604	3.3
61.02927	3.7
67.05502	1.9
69.03423	14.0
69.07052	1.1
70.06582	9.9
71.01333	0.6
71.05003	2.3
71.06931	0.7
71.30499	0.7
71.30869	0.6
72.03571	0.4
72.08150	34.9
73.02927	3.0
73.08498	1.1
76.32726	0.5
79.05492	3.3
80.05832	0.5
81.03415	4.8
81.07050	9.8
83.01321	0.5
83.08628	1.2
84.04500	0.8
84.08139	5.0
85.02901	26.5
85.06483	0.5
85.08937	2.9
86.09698	5.1
87.04471	2.9
89.00392	0.5
91.03947	1.2
91.05471	5.3
93.07058	1.3
95.04951	0.9
95.08617	2.7
97.02885	9.8
98.09685	4.7
99.04443	2.7
101.02391	0.7
103.03944	0.9
105.07033	1.6
107.04948	23.0
107.08584	1.0
109.02873	4.0
112.11185	0.5
115.03932	0.5
115.05483	0.5
117.06971	3.0
119.04944	1.8
120.08106	3.1
121.06505	1.4
121.10174	0.6
124.11223	1.5
125.09633	1.0
127.03886	5.9
127.04662	0.6
127.08725	0.6
129.07018	1.3
129.10225	0.8
131.04942	1.0
131.08583	1.2
133.06468	8.0
133.10094	0.4
135.11795	0.5
136.07512	0.5
137.05966	0.6
140.14346	0.7
141.06996	1.3
145.04980	2.0
145.06448	2.6
145.10100	0.6
146.04234	0.4
147.08014	2.1
153.31926	0.4
155.08199	2.1
157.10123	0.7
159.08040	2.6
159.94456	0.5
163.03938	0.7
173.09607	0.7
177.05443	0.5
183.11729	1.0
196.16969	2.0
197.55029	0.5
201.12727	4.3
211.14752	0.6
219.13863	1.0
252.23225	3.0
297.22180	1.5
302.14899	0.7
315.23242	1.9
333.04517	0.5
342.27856	4.7
359.27811	1.1
360.28925	35.7
361.29343	3.4
376.28436	1.8
377.28775	1.5
378.29974	23.9
379.30441	1.8
402.30093	0.7
490.26178	2.4
522.34259	6.6
540.35272	15.9
541.35492	1.7
644.35193	0.5
684.39459	13.4
685.39825	1.6
701.49365	3.0
702.40210	100.0
702.49561	8.8
703.41003	14.6
703.50885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97866	0.6
51.98613	0.6
53.03951	1.8
55.01872	1.6
55.05513	1.9
55.56703	0.7
56.05034	1.2
57.03433	5.4
57.40454	0.7
58.06606	3.9
60.23649	0.7
61.02925	4.4
66.81548	0.8
67.05505	1.6
69.03431	16.5
69.07087	1.2
69.53838	4.6
70.06590	10.3
71.01392	1.3
71.04988	1.7
72.08157	35.3
73.02930	3.0
73.08469	1.0
79.05503	5.3
81.03418	7.0
81.07052	10.7
83.08627	1.6
84.04517	0.8
84.08146	5.9
85.02905	28.0
85.08512	0.7
85.08887	3.3
86.09705	4.1
87.04488	2.7
91.03986	2.2
91.05486	2.1
93.07080	1.5
95.04966	1.7
95.08623	2.5
96.08165	0.7
97.02894	13.2
98.09698	5.3
99.04477	3.0
101.02382	0.8
103.03946	1.0
105.07058	1.6
107.04954	28.8
107.08585	1.0
108.05328	1.1
109.02876	3.5
109.10160	1.3
119.04996	2.1
119.08595	0.9
120.08163	1.3
121.06535	1.6
121.10177	1.2
123.04433	0.9
124.11250	1.2
125.09680	1.2
127.03919	6.2
129.10243	1.5
131.04919	1.4
133.06503	11.0
136.07567	0.8
145.04996	3.0
145.06517	2.5
147.08057	2.0
155.08266	0.9
159.08109	2.8
163.03954	1.4
173.09671	0.9
196.17029	2.2
196.86711	0.8
201.12741	4.1
219.13907	1.3
252.23282	4.6
297.22253	1.8
315.23428	2.6
335.31693	0.8
360.28946	45.3
361.29367	3.4
361.86597	0.8
378.30029	39.3
379.30612	3.2
402.30533	0.9
456.92969	0.8
522.34338	7.4
523.34741	1.0
540.35315	18.3
541.35815	1.7
542.52124	0.9
684.39362	13.0
685.39740	1.8
701.49756	1.5
701.81238	0.9
702.40570	100.0
703.41943	13.6
731.17175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92724	1.8
52.69587	2.1
53.03936	2.6
55.01875	4.6
55.05512	49.2
57.03440	16.3
57.07064	5.2
61.02922	4.2
64.90897	2.1
65.03970	3.2
67.05505	55.6
68.68247	2.0
69.03426	8.2
69.07061	15.4
69.86433	6.6
79.05492	38.3
81.07050	49.1
83.04977	5.9
83.08623	30.9
85.02883	3.7
85.06536	3.0
86.09687	3.3
89.06041	2.4
91.05478	13.5
93.07039	41.0
95.08604	31.5
97.02872	2.6
97.10168	60.2
105.07056	13.6
107.08595	35.7
107.92934	1.8
109.06561	2.5
109.10145	15.6
111.08069	4.0
117.07022	5.0
119.08590	9.5
121.10125	14.6
123.11708	5.0
125.09618	59.7
131.08577	8.9
133.10120	7.6
135.08063	6.8
135.11688	9.2
143.10709	2.0
145.10117	5.6
147.11644	3.6
149.13255	5.5
153.09151	3.7
159.11736	3.7
161.13277	4.5
163.14813	5.0
171.10202	4.4
171.11737	2.2
173.13264	2.5
184.07315	9.4
187.14801	2.7
189.11209	50.1
189.12863	2.8
190.11588	2.7
227.12772	76.1
227.20026	9.2
228.13161	5.1
243.21149	7.9
245.13834	100.0
246.14218	5.9
261.22159	32.1
279.23154	3.0
317.24731	5.2
335.25803	89.4
336.26126	6.7
487.34277	6.2
505.35211	69.8
506.35263	8.1
523.36224	2.6
610.23920	2.5
658.78137	2.5
702.27209	2.4
706.47473	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91965	1.8
53.03940	3.9
55.01863	5.9
55.05515	56.5
57.03436	14.4
57.07071	2.9
61.02931	3.2
61.32274	1.8
62.20408	1.8
62.56023	1.8
64.34135	1.6
65.03943	2.1
67.05508	48.7
69.03427	4.8
69.07069	16.5
71.30179	2.9
79.05074	2.3
79.05501	38.4
80.58952	1.6
81.07059	44.0
83.04995	5.4
83.08620	32.5
85.02882	2.6
85.06547	3.2
89.71433	1.7
91.05480	16.0
93.07040	32.6
94.07416	1.8
95.04951	2.4
95.08610	25.7
97.02892	3.7
97.06550	2.9
97.10172	70.0
98.10533	2.3
99.01672	1.9
105.07052	9.5
107.08605	31.8
109.10165	18.2
111.08073	4.0
117.07023	6.3
119.08534	9.8
121.10149	14.2
123.11720	3.6
125.09630	63.7
126.09895	1.8
131.08574	7.3
133.10121	6.3
135.08058	7.2
135.11702	9.6
143.10672	4.8
145.10150	7.1
147.11710	3.5
149.13272	5.4
153.09111	5.3
159.11647	4.8
161.13255	3.8
163.14847	2.6
171.10103	2.9
173.13266	3.0
184.07301	3.2
187.14934	2.4
189.11232	49.4
194.80571	1.8
201.16278	1.9
202.60684	2.1
227.12773	82.9
228.13124	5.4
233.22705	2.7
243.21072	6.9
245.13857	100.0
246.14108	5.1
261.22125	29.2
279.23117	2.6
299.23218	1.9
317.24695	4.0
335.25797	68.8
336.26120	4.8
487.34073	8.1
505.35165	40.1
506.35379	4.8
523.36194	3.1
702.28394	2.5
702.46796	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	703.2977
Annotation	Taccalonolide A
Peak:m/z	Relative Intensity
69.13461	13.4
72.10239	1.4
81.81694	1.7
91.05514	1.5
144.08124	2.2
145.95517	1.5
159.09235	2.7
183.09145	1.9
187.08723	1.9
201.06691	3.2
208.09796	2.5
209.10783	5.1
210.11499	3.6
211.12292	4.3
215.07877	1.5
221.10651	1.6
222.11417	2.0
223.12347	4.7
224.13109	8.4
225.13866	5.8
229.09688	1.8
237.13881	12.6
238.14668	5.0
239.15413	8.6
240.16266	2.1
252.12685	3.0
253.13480	3.0
265.13443	5.9
266.14157	3.3
267.14902	4.1
278.51282	1.7
287.10379	1.8
288.15100	1.7
314.16284	1.7
315.09659	1.8
316.17966	1.8
325.15488	4.3
326.16202	1.7
327.16837	2.5
386.18860	2.2
388.20331	2.9
389.21121	2.6
404.23233	3.3
406.17691	2.1
426.10696	1.9
427.21472	3.1
429.20355	1.7
451.16626	1.5
455.21011	2.1
485.25507	2.0
490.23392	4.6
491.23990	3.8
495.24182	2.5
498.23517	4.9
499.23315	1.9
508.21658	2.0
509.25717	9.4
510.26062	3.2
513.24768	6.9
514.25409	2.9
523.23468	6.4
524.22015	1.8
541.24402	6.4
569.23627	6.4
579.22003	1.8
583.25427	5.8
601.26666	11.8
611.25073	19.4
612.25098	3.6
629.26135	26.2
630.26129	4.5
643.27502	40.0
644.27893	5.5
661.29047	8.7
671.27124	100.0
672.27417	20.0
703.28796	20.4
703.38904	3.4
704.29590	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	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86705	0.2
53.43994	0.2
67.05502	0.3
69.87711	0.7
83.70159	0.2
104.44126	0.2
114.41805	0.2
185.04185	0.9
203.05275	2.1
237.13913	0.6
238.14648	0.3
257.01630	0.2
259.07819	1.5
265.13501	0.3
341.11462	0.3
347.09393	1.0
365.10577	3.6
365.15030	0.2
388.21613	0.2
421.13199	1.1
541.33484	17.4
542.33771	2.5
551.22662	0.2
561.58453	0.3
573.75909	0.2
593.23627	0.4
599.16077	0.3
653.26056	2.6
654.26245	0.4
685.28516	0.3
703.38721	100.0
704.39038	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43094	0.3
58.32402	0.3
62.80568	0.3
69.19858	0.6
69.20263	1.9
113.97187	0.3
117.52899	0.3
148.00578	0.3
158.68468	0.3
163.91692	0.3
181.31432	0.4
183.87401	0.3
185.04285	0.9
203.05385	0.4
256.04092	0.3
259.07959	0.4
277.25510	0.3
347.09595	1.2
541.33417	21.1
542.33612	2.0
703.38678	100.0
704.39032	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	704.515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.07075	24.6
58.24794	0.7
59.05009	0.9
67.05494	0.9
69.07063	1.0
69.64669	3.6
71.08629	23.0
73.06554	9.6
81.07037	1.3
83.08621	3.7
85.10177	24.5
86.10484	0.8
87.04473	11.6
87.04985	1.2
89.06030	100.0
90.06357	1.1
91.07590	1.0
97.10175	1.5
98.23344	0.9
99.11741	3.8
107.07067	2.3
117.09122	8.8
128.69838	0.7
130.08640	1.6
131.07042	3.0
133.08597	48.8
134.08882	0.8
135.10175	1.2
141.16388	4.9
161.11794	2.1
175.09647	1.6
177.11221	18.3
178.11606	0.9
185.19046	5.9
204.40501	0.7
221.13832	2.5
229.21637	7.9
249.98254	0.7
273.24408	4.0
273.27078	1.0
283.17593	0.7
305.20663	0.7
316.83725	0.7
547.33362	1.1
577.33508	0.7
687.48572	1.5
704.39362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45639	0.5
69.42902	2.4
70.06607	4.3
76.07990	0.4
86.09706	3.5
98.23359	0.6
106.29031	0.5
108.15688	0.5
110.27930	0.5
203.05351	1.0
249.90727	0.5
272.22882	0.5
273.42728	0.7
525.17017	0.9
543.18207	5.9
553.84924	0.5
573.90363	0.6
650.51892	0.5
704.90796	2.2
705.23621	100.0
706.23944	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20735	0.5
68.84077	0.5
69.60106	1.7
69.60512	1.2
70.06590	3.6
72.08158	0.8
74.00464	0.4
75.44901	0.5
84.08154	0.6
95.64352	0.6
101.49826	0.5
102.57124	0.5
121.75164	0.5
132.84442	0.6
137.05975	0.7
185.04193	0.7
194.88588	0.5
205.69754	0.5
309.09586	0.7
417.72534	0.5
424.89905	0.6
543.18524	2.4
680.45514	0.7
705.23633	100.0
706.23883	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	705.24
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49188	1.3
83.61057	1.4
91.07192	1.3
98.22521	1.7
101.78967	1.2
108.56445	1.2
118.35811	1.3
131.11807	1.2
131.36755	1.3
132.44348	1.2
159.14609	1.4
238.07892	1.3
271.49121	1.3
357.02927	1.5
427.14191	1.7
442.12891	1.5
456.14346	1.8
467.14191	1.5
469.15256	1.5
471.16922	1.5
475.17053	1.7
483.12943	1.7
485.14581	3.9
486.15375	2.0
498.15915	1.7
499.16165	5.2
500.16983	5.3
501.17664	2.0
515.15912	3.7
516.15778	1.9
525.14142	2.1
526.15283	2.4
527.15540	17.1
528.16205	5.1
539.15704	2.2
541.17584	1.4
544.15546	1.8
545.16492	1.8
573.19794	14.1
574.20105	1.9
586.17450	3.7
591.20532	2.1
603.20551	3.3
645.21820	4.2
673.21381	20.4
674.21570	4.8
705.23981	100.0
706.24164	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4028
Annotation	Voacamidine
Peak:m/z	Relative Intensity
50.41767	0.2
57.07085	0.3
61.63722	0.2
65.72231	0.2
69.67652	0.4
69.68063	0.7
83.52410	0.2
86.09711	0.3
87.04486	0.4
89.06039	0.4
92.20465	0.2
94.83053	0.2
107.08582	0.2
136.68973	0.2
145.02858	0.2
163.03960	0.7
164.04248	0.3
184.07341	0.4
185.04271	0.7
203.05275	0.2
259.07867	0.3
347.09439	1.3
421.13556	0.2
543.35028	18.9
544.35394	2.4
705.40253	100.0
706.40533	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52910	0.3
53.03939	0.5
55.05507	1.1
56.05046	2.0
57.03431	1.3
57.05811	1.0
57.07064	0.3
58.06583	0.5
61.02929	0.7
67.05502	0.9
69.03431	3.5
69.07071	2.4
70.05663	0.3
70.06596	9.0
71.04998	1.0
71.08630	0.3
72.08157	100.0
73.02924	0.5
73.08491	1.6
77.24416	0.3
79.05491	1.0
81.03427	1.9
81.07078	1.5
83.04995	0.3
83.08627	1.1
84.04512	0.6
84.08135	3.0
85.02908	9.2
86.09706	7.3
87.04498	0.6
87.10042	0.5
89.03950	0.3
91.05482	1.1
93.07056	1.2
95.04993	1.2
95.08624	1.2
96.08144	0.4
97.02906	3.3
97.06558	0.4
98.09682	0.4
98.22621	0.7
99.04462	1.3
101.02434	0.3
101.07167	0.3
102.05552	0.5
103.03963	0.3
105.07076	0.6
107.04960	0.3
107.08610	1.5
108.08131	0.5
109.02879	1.6
110.07188	1.3
110.09731	0.4
111.08148	0.6
112.11293	0.3
116.07088	0.4
117.03370	0.4
117.07004	0.3
119.04996	0.4
119.08575	0.8
120.08115	2.4
121.10218	0.5
123.08093	0.8
124.11238	1.9
125.13326	0.7
127.03934	2.6
128.10757	0.4
129.10271	1.0
133.10158	0.5
141.10379	0.3
143.11797	0.3
145.02899	0.3
145.04967	3.5
145.10159	0.4
147.04558	0.4
147.08064	0.5
149.13281	1.6
161.13307	0.4
163.06091	1.2
166.06310	0.3
167.14330	2.1
171.11671	0.3
177.05434	0.4
185.15367	5.7
185.16927	0.4
186.15775	0.4
189.12706	0.5
207.06572	0.5
235.11998	0.5
242.92412	0.3
325.11496	0.4
346.27487	0.7
364.28568	1.7
365.28906	0.4
369.03912	0.3
382.29504	6.3
382.34116	0.3
383.29932	0.4
452.22510	0.4
458.26578	0.4
510.87485	0.3
544.34692	0.9
688.38287	0.9
706.40161	44.5
707.40955	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	707.179
Annotation	Subulatin
Peak:m/z	Relative Intensity
52.52909	0.9
61.99202	0.8
70.06598	15.9
71.28786	1.4
72.08169	3.5
82.79585	0.9
84.04491	1.6
84.08138	5.4
85.02895	1.5
86.09709	6.3
88.04025	1.0
91.05447	0.9
96.05833	0.8
110.07198	1.8
116.07101	1.8
120.08089	2.1
127.03901	2.4
129.10255	4.1
131.95230	1.0
136.07542	1.7
148.35561	0.9
154.57149	1.1
161.01398	1.2
163.03905	1.5
173.12837	1.3
185.04216	17.0
203.03152	31.8
203.05080	1.6
221.02936	4.5
237.09140	0.9
347.06107	1.5
355.59564	1.1
365.08456	100.0
366.08829	6.3
383.07349	41.2
384.07657	2.2
475.83182	1.0
545.12646	80.3
546.13226	8.3
707.06061	1.7
707.17706	18.8
707.36481	1.4
708.17603	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	707.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76885	1.3
53.65860	1.4
70.06569	2.2
71.28803	1.7
91.91435	1.5
113.19302	1.6
365.12094	100.0
366.12317	4.6
510.60150	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	707.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59309	0.5
56.96155	0.6
69.68974	1.9
83.68079	0.6
87.04500	0.9
117.52923	0.5
118.30655	0.6
123.17170	0.6
193.86595	0.6
283.60022	0.6
285.98428	0.8
344.34338	0.7
400.59573	0.7
429.14966	0.8
445.82556	0.6
634.09540	0.7
707.37561	100.0
708.37891	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	707.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08813	0.9
57.07068	1.1
67.05518	1.0
71.22581	1.0
71.31667	1.4
81.07043	1.3
85.36294	1.0
87.04446	2.2
125.18190	1.0
184.07358	1.5
707.37518	100.0
708.37866	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00943	0.4
53.03953	0.8
55.05503	2.1
57.03439	1.8
61.02928	5.8
62.83466	0.5
62.83780	0.5
67.05504	3.3
69.03431	3.2
69.07072	1.2
69.19515	3.4
71.01346	0.4
71.04990	0.6
72.08154	0.5
73.02926	3.7
79.05499	2.9
81.03436	1.6
81.07052	4.8
83.08644	1.4
85.02908	5.9
91.03938	3.0
91.05507	1.6
93.07040	3.6
94.46439	0.4
95.08615	2.9
97.02898	3.8
97.10186	1.7
99.04506	1.0
101.02372	2.0
105.07053	1.6
107.08599	2.7
109.02883	0.7
109.10174	1.9
117.07001	0.6
119.08591	0.6
121.10173	1.4
123.11772	0.5
125.09657	1.8
127.03959	1.3
131.08575	0.8
133.10147	0.8
135.11696	0.6
145.10217	0.7
179.18633	0.5
184.07420	0.5
185.04205	0.9
189.11293	0.9
203.05376	0.6
211.09505	1.4
225.47855	0.5
243.08395	1.0
335.25781	0.8
397.15250	0.4
429.17407	3.4
430.17261	0.5
519.29333	8.1
520.29761	1.0
666.15344	0.5
689.28918	0.6
707.39703	100.0
708.39923	15.5
736.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00943	0.4
53.03953	0.8
55.05503	2.1
57.03439	1.8
61.02928	5.8
62.83466	0.5
62.83780	0.5
67.05504	3.3
69.03431	3.2
69.07072	1.2
69.19515	3.4
71.01346	0.4
71.04990	0.6
72.08154	0.5
73.02926	3.7
79.05499	2.9
81.03436	1.6
81.07052	4.8
83.08644	1.4
85.02908	5.9
91.03938	3.0
91.05507	1.6
93.07040	3.6
94.46439	0.4
95.08615	2.9
97.02898	3.8
97.10186	1.7
99.04506	1.0
101.02372	2.0
105.07053	1.6
107.08599	2.7
109.02883	0.7
109.10174	1.9
117.07001	0.6
119.08591	0.6
121.10173	1.4
123.11772	0.5
125.09657	1.8
127.03959	1.3
131.08575	0.8
133.10147	0.8
135.11696	0.6
145.10217	0.7
179.18633	0.5
184.07420	0.5
185.04205	0.9
189.11293	0.9
203.05376	0.6
211.09505	1.4
225.47855	0.5
243.08395	1.0
335.25781	0.8
397.15250	0.4
429.17407	3.4
430.17261	0.5
519.29333	8.1
520.29761	1.0
666.15344	0.5
689.28918	0.6
707.39703	100.0
708.39923	15.5
736.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.05518	2.1
56.05036	2.1
57.03430	2.7
58.29269	1.1
61.02928	3.1
67.05501	1.9
69.03434	15.2
69.07050	1.2
69.90964	3.9
70.06597	16.1
71.04999	5.5
72.08156	22.2
73.02917	3.3
74.06091	1.5
81.03423	17.6
81.07062	4.0
83.04974	3.2
84.04515	2.1
84.08141	7.7
85.02906	63.4
86.03249	1.3
86.09686	8.8
87.04471	13.9
91.05489	4.8
93.07073	5.5
95.04985	2.6
95.08613	1.6
97.02891	36.2
97.06530	1.9
98.09676	1.3
99.04457	42.0
101.02382	2.0
102.05548	1.6
103.03943	76.7
104.04317	2.2
105.07001	2.0
107.08604	1.5
109.02875	17.1
109.06508	12.0
109.29099	1.3
110.07199	1.8
119.06056	1.4
119.08562	2.0
120.08102	8.8
121.06503	16.1
121.10142	1.6
122.07324	1.3
125.02387	1.9
127.03914	100.0
128.04282	2.8
129.10257	5.4
133.10115	1.3
135.08012	1.4
135.11708	1.2
136.07593	2.3
137.09615	36.0
141.06616	1.8
145.04955	60.9
145.10159	1.1
146.05383	1.1
147.11696	1.7
149.06015	2.1
149.09578	2.2
155.08189	1.7
159.11670	1.8
163.06015	58.7
163.11180	1.6
169.04933	1.9
169.10136	1.6
177.12776	2.3
187.06012	6.4
187.11105	1.5
190.07787	1.3
196.16968	1.1
205.07039	4.0
205.12184	2.4
223.13297	64.9
224.13644	4.4
253.07225	1.3
263.37122	1.2
271.08124	11.2
289.09174	12.1
307.10187	24.1
366.30197	3.5
384.30911	3.7
391.03317	1.1
490.46463	1.2
497.38107	1.4
514.81702	1.3
546.36462	1.8
690.39612	2.7
708.41522	13.9
709.39319	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	708.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01879	2.3
55.05518	1.8
56.05039	2.3
57.03448	3.5
58.06608	1.7
59.05012	1.0
61.02946	3.5
64.02441	0.9
67.05521	2.2
69.03428	13.4
69.03767	1.1
69.07102	2.4
69.38684	5.8
70.06596	20.9
70.06948	1.4
71.05021	4.1
71.50291	0.8
72.08158	76.6
73.02909	4.8
73.08500	2.0
79.05528	2.5
81.03422	18.7
81.03860	1.3
81.07067	5.0
83.05003	3.1
83.08625	1.0
84.04520	1.8
84.08151	4.5
85.02905	62.2
85.06599	1.4
86.03234	0.9
86.09702	9.9
87.04498	1.7
91.03984	1.2
91.05523	3.3
93.07076	3.8
95.05017	3.3
95.08642	3.0
97.02893	36.0
97.06572	2.1
98.03246	1.0
98.09731	1.0
99.04455	39.1
101.02395	1.1
103.03944	68.2
104.04272	1.0
105.07119	2.4
107.04975	1.9
107.08643	2.4
109.02884	20.0
109.03555	1.4
109.06561	1.8
109.10154	1.4
110.07220	3.1
110.09715	1.6
111.08138	3.8
112.81650	0.9
115.03990	1.4
117.07055	1.2
119.08620	2.4
120.08118	6.3
121.06543	3.0
121.08458	1.1
121.10207	2.5
123.08099	1.0
124.11235	1.0
125.06053	0.8
127.03918	100.0
128.04317	2.8
128.10753	1.5
129.07027	0.9
129.10294	2.8
131.08653	1.7
133.10228	3.1
135.04497	2.5
135.11726	1.1
136.07661	1.5
137.06021	1.1
137.09630	1.1
139.07573	1.3
141.10220	0.9
145.04961	54.5
145.10150	2.1
147.04446	1.9
149.09679	1.3
157.10081	1.0
159.09230	1.4
159.11707	2.0
163.04001	1.9
163.06021	42.9
163.11224	1.8
166.08672	1.3
167.07158	2.8
169.05026	1.6
169.13377	1.6
175.03978	1.3
175.11249	1.8
177.05582	1.6
187.06145	3.3
188.10828	1.7
193.12337	1.4
199.06075	1.3
205.07106	2.1
205.12251	8.4
207.06660	2.1
223.13300	47.4
224.13760	3.5
235.06099	1.1
235.12003	1.3
247.77852	0.9
253.07294	1.1
271.08087	14.7
289.09204	11.8
289.12134	0.9
307.10236	10.9
335.49466	1.0
348.28979	1.4
366.30127	3.1
384.31119	8.8
482.49722	0.9
546.36072	1.0
690.40344	5.5
707.39716	1.3
708.41602	43.0
709.42303	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	708.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98979	0.3
54.16291	0.3
55.01873	4.4
55.05508	0.7
56.05029	0.9
57.03429	0.9
57.05811	0.7
62.04258	0.3
67.05508	2.7
68.77101	0.3
69.03427	2.5
69.07063	1.7
69.32993	2.5
70.06596	5.6
71.04993	1.7
71.07352	0.4
72.08154	100.0
73.02913	1.2
73.08501	2.1
79.05495	2.4
81.03420	1.2
81.07057	3.1
82.06580	0.5
82.15751	0.3
84.08150	1.4
85.02900	2.6
85.06520	0.3
86.09701	2.9
91.05469	3.0
93.07049	2.5
95.05005	0.5
95.08610	1.7
96.08123	0.6
97.02900	1.3
97.06527	3.9
99.04465	0.5
103.05437	0.3
105.07055	1.2
107.08611	1.4
109.02920	0.7
109.10176	0.3
110.07140	0.4
111.08082	0.4
113.06106	0.3
115.05469	0.5
115.07549	0.4
117.07042	1.1
119.04956	1.5
119.08600	1.0
120.08115	0.8
121.10156	0.6
123.04415	2.5
124.11252	2.5
127.03947	1.4
129.07034	0.4
131.04942	0.4
131.08598	0.7
133.10109	0.4
135.08043	0.4
135.11708	0.4
137.05968	1.9
141.07224	0.3
145.06514	0.3
145.10231	0.4
147.04454	1.1
147.11732	0.5
149.06068	0.7
149.09624	0.6
153.06995	0.4
157.04167	0.3
159.11774	0.4
161.06027	1.4
169.10001	0.4
173.06007	2.1
173.13263	0.5
175.03883	2.0
175.07567	0.8
177.77147	0.4
187.07632	0.4
199.07614	0.6
205.12402	0.5
207.06497	5.5
215.10735	0.7
223.07846	0.3
330.28064	1.3
348.29062	1.3
351.10889	0.5
366.29974	2.1
367.30432	0.4
384.31305	0.7
414.26550	0.4
510.32315	1.3
528.33289	7.4
529.33893	1.4
546.34229	36.6
547.34583	4.4
690.38385	4.8
691.39246	0.6
708.39581	40.0
709.40277	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	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.05508	9.3
55.10187	2.1
57.03436	4.8
57.36568	2.2
61.02928	31.3
63.63800	1.8
65.28454	2.0
67.05505	37.3
69.03421	4.1
69.07069	7.5
70.37650	1.8
73.02914	10.1
79.05489	25.1
81.03423	2.4
81.07056	44.1
83.08638	4.7
85.02905	39.9
91.03943	25.9
91.04446	2.3
91.05475	16.1
93.07046	34.7
95.08602	35.5
96.08907	2.3
97.02905	19.3
98.28465	2.0
99.04468	2.3
105.07031	12.3
105.79989	2.2
107.08595	24.5
109.10156	25.8
117.07030	6.4
118.22636	2.0
119.08594	9.6
121.10132	23.2
123.11696	14.7
127.03922	13.0
131.08546	11.6
131.17892	2.2
133.10152	9.9
135.11684	18.5
137.13280	5.7
145.04982	14.4
145.10110	10.9
147.11656	10.5
149.13246	17.0
159.11705	10.6
161.13271	8.9
163.06039	23.7
163.14793	10.8
165.12761	2.7
173.13312	11.3
175.14780	3.1
177.16464	3.3
179.14285	3.0
184.07379	3.3
187.14793	6.8
194.10315	2.4
201.16302	4.0
228.78102	3.8
231.38512	2.3
233.22690	4.7
235.77144	2.1
243.21133	31.4
261.22122	100.0
262.22464	8.4
263.23593	4.7
279.23306	2.2
323.02133	2.5
335.25781	18.0
353.26840	52.7
354.27277	4.3
363.16330	2.2
561.83154	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47422	1.3
53.03941	4.0
55.01856	1.2
55.05512	10.0
56.07215	1.2
57.03442	6.9
57.07070	3.4
57.15848	1.3
61.02927	43.7
67.05507	46.6
68.05853	1.3
69.03429	6.7
69.07066	7.0
69.48510	7.2
71.05003	3.0
73.02917	9.2
77.69402	1.3
79.05491	29.8
81.03419	3.8
81.07056	59.5
83.08622	5.3
84.27742	1.3
85.02907	52.1
85.06548	2.1
91.03411	1.1
91.03949	33.8
91.05469	16.1
93.07044	42.0
95.04972	2.8
95.08609	50.0
97.02895	27.1
97.06554	2.4
97.10178	3.5
99.04465	4.8
99.08060	2.3
105.07027	13.9
107.08600	27.1
109.02872	2.3
109.10149	29.5
111.11776	1.5
113.09650	1.7
115.03909	2.5
117.07050	7.7
119.08582	13.2
121.10146	28.0
123.08064	1.5
123.11691	17.1
124.12057	1.4
125.09607	1.8
127.03946	12.2
131.08569	16.0
133.10114	11.0
135.11697	25.0
136.12029	1.3
137.09587	2.8
137.13251	8.7
144.83977	1.4
145.04947	22.5
145.10117	12.7
147.11700	13.6
149.13245	19.4
151.11169	1.5
151.14824	1.3
153.12762	1.9
159.11691	15.9
161.13239	10.0
163.06012	22.7
163.11211	1.8
163.14806	12.4
165.12766	2.0
173.13255	15.5
175.14886	3.7
177.16383	5.5
179.14278	3.7
187.14807	7.7
191.14287	2.1
194.10324	1.7
201.16344	3.3
215.17931	1.7
233.22623	4.7
243.21097	38.0
244.21326	3.1
249.01257	1.5
261.22141	100.0
262.22519	7.0
263.23746	1.9
279.23196	8.0
313.57431	1.5
317.24969	2.0
335.25803	31.0
336.26016	3.2
353.26855	54.4
354.27234	4.2
440.33810	1.7
468.83200	1.4
512.10248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72661	1.2
53.03952	4.0
53.57805	1.5
55.01876	2.7
55.05513	2.5
56.05028	1.4
57.03443	2.7
61.02921	1.7
64.87368	1.3
67.05501	5.7
69.03426	16.2
69.07083	2.9
70.06590	31.0
70.87980	2.0
71.04988	5.8
72.08148	8.5
73.02922	6.2
74.06073	2.1
78.06743	1.3
79.05492	5.0
81.03418	19.9
81.07040	3.5
83.04994	3.2
84.04495	2.9
84.08124	6.9
84.99136	1.4
85.02905	70.4
86.09708	16.5
91.05492	12.3
93.07034	9.1
95.04984	4.5
95.08621	3.8
97.02892	33.8
97.06551	2.3
99.04455	44.9
103.03942	72.8
103.05449	3.2
105.07039	6.7
107.04973	3.4
107.08585	5.6
109.02875	19.9
109.06512	9.6
109.10172	7.7
110.07178	4.9
111.04462	1.9
115.03976	1.9
117.07043	3.0
119.04958	2.5
119.08572	9.0
120.08131	5.8
121.06515	11.5
121.10178	4.0
122.07284	1.7
123.08040	3.5
123.80600	1.7
127.03913	100.0
128.04350	2.1
129.09451	1.4
129.10229	8.6
131.04892	2.0
131.08566	3.1
133.10135	4.0
135.08054	5.2
136.07588	6.5
137.06013	3.1
137.09615	72.6
138.09969	2.9
145.04959	61.9
145.06128	3.1
145.10135	7.6
147.08015	2.7
147.11751	2.1
149.05975	30.4
149.09659	3.4
151.07558	3.6
159.11641	7.8
161.09616	2.9
163.06015	57.3
163.11229	3.9
169.09819	2.1
169.60893	1.2
175.11098	7.2
177.12737	4.4
187.06026	4.7
187.11115	5.7
187.14555	1.7
189.12755	2.6
193.12268	5.3
200.07437	1.5
205.07101	5.4
205.12244	39.5
205.14130	2.4
206.12614	1.9
207.13795	5.3
223.13286	40.0
224.13597	1.7
233.40797	1.5
241.14383	11.0
271.08090	14.4
279.17004	2.2
280.58975	1.5
284.19632	1.6
289.09204	10.2
293.16989	1.6
307.10165	16.4
307.13416	1.8
308.10782	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	710.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76632	0.5
53.03940	2.5
53.88704	0.5
55.01864	1.0
55.05503	2.3
56.05039	0.8
57.03431	1.4
57.07061	0.6
57.31838	0.6
60.04516	0.8
61.02923	1.4
65.03925	1.5
67.05499	2.5
69.03426	14.1
69.07051	1.2
70.06589	12.7
70.27182	1.7
71.04997	2.8
72.08138	3.1
73.02893	0.9
75.04462	1.0
77.03883	0.7
79.05490	7.5
81.03416	8.3
81.07056	6.0
83.04974	1.2
84.04511	0.9
84.08150	3.6
85.02903	95.8
85.20953	0.6
86.03229	1.4
86.09698	6.6
91.05477	16.7
93.07043	11.8
94.07401	0.6
95.04971	5.9
95.08594	5.9
97.02894	11.2
97.06528	5.5
98.06044	0.9
99.04452	21.2
100.04762	0.7
103.03938	50.3
104.04301	0.7
105.07029	12.5
105.07677	1.1
107.08591	77.3
108.08897	3.2
109.02873	10.3
109.04011	0.6
109.06512	3.7
109.10163	2.7
110.07169	3.1
111.08092	3.6
112.08722	0.9
115.08734	0.9
116.06256	1.3
117.07009	2.7
119.06052	2.1
119.08585	8.2
120.08109	2.7
121.06477	3.4
121.10143	8.2
123.08039	1.3
123.11710	9.7
125.05989	1.6
125.09558	0.7
127.03915	56.1
127.07539	2.2
128.04254	2.0
129.06961	2.1
129.10240	2.7
131.08563	50.1
132.08942	2.9
133.10129	1.8
133.71152	0.5
135.08066	0.9
135.11662	1.0
136.07542	1.5
137.09622	4.4
139.07552	0.8
143.08551	1.6
143.11775	0.8
145.04951	29.9
145.06108	1.5
145.10130	4.8
146.05278	0.7
147.04352	0.8
147.08015	1.9
147.11682	12.8
149.08508	1.2
149.09613	14.3
151.07489	1.5
155.08174	0.8
156.09308	1.8
159.11679	2.2
161.09631	0.8
161.13226	3.9
163.03847	1.3
163.06020	39.2
164.06227	0.6
165.12790	3.0
171.07819	0.6
171.11668	4.9
177.12694	0.7
179.14302	4.1
187.06036	3.3
189.12727	33.6
190.13110	2.0
201.12531	0.6
205.07080	3.4
207.13795	100.0
208.14127	6.5
213.12215	0.7
225.14862	3.7
247.08333	0.7
253.07147	1.4
260.86755	0.6
271.08109	7.2
289.09164	7.4
307.10199	16.7
308.10626	1.0
325.07156	0.9
337.06720	0.8
351.17905	1.7
369.18918	0.7
379.08063	0.7
477.20932	2.4
511.11258	0.7
513.23425	5.9
514.23523	1.1
529.13507	0.8
547.14252	1.9
710.40674	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	710.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.36192	0.4
55.05510	3.3
57.03429	0.9
57.07075	0.9
59.04986	1.0
61.02917	0.6
61.60933	0.5
65.03916	0.8
66.45730	0.5
66.99496	0.4
67.05482	1.2
69.03409	2.2
69.05849	0.8
69.06255	4.1
69.07066	3.1
70.04571	0.5
70.06596	4.3
71.05002	2.6
72.08156	4.4
73.02911	0.8
79.05491	3.0
81.03408	1.6
81.07046	3.2
82.61411	0.5
83.04944	1.1
83.08593	0.5
84.08128	2.0
85.02905	6.5
85.06523	0.4
86.09695	1.9
90.03006	0.4
91.05475	9.0
93.07054	3.1
95.04969	2.3
95.08591	2.8
97.02912	2.7
97.06507	0.6
98.23372	1.1
99.04450	10.2
101.06011	0.8
103.03922	2.8
103.05447	0.8
105.07027	24.8
107.04931	0.5
107.08578	7.1
109.02877	1.6
109.06532	3.8
110.07146	0.8
115.05442	0.9
116.06256	0.7
117.07003	2.5
119.08574	59.1
120.08102	1.0
120.08894	2.5
121.06450	1.0
121.10117	2.6
123.08066	1.6
127.03906	5.5
127.04819	0.8
129.06960	1.5
129.10234	0.7
130.07719	0.7
131.08563	7.8
132.09279	0.6
133.06483	5.4
133.10115	12.2
134.10428	0.6
135.08014	1.0
135.11691	0.9
136.07574	0.6
137.05962	1.4
139.07501	0.7
143.08574	1.9
145.02879	0.5
145.04990	2.7
145.06284	0.5
145.10124	5.0
146.10835	0.9
147.04416	1.3
147.08034	3.8
147.11676	61.0
148.11986	2.0
149.09639	1.6
151.07552	4.4
156.09352	3.2
159.08025	1.4
159.11623	1.2
160.08897	0.6
161.09608	2.2
161.13246	18.3
163.06000	1.9
163.11235	0.8
165.09102	5.9
165.12749	2.0
167.07021	0.8
171.11684	3.9
174.10402	10.9
175.07552	0.7
175.10715	0.5
177.05457	0.6
189.12730	100.0
190.13089	4.7
193.08577	0.6
193.12170	1.0
207.13791	84.5
208.14098	4.6
225.14767	1.0
231.13756	0.5
271.08255	0.7
307.09949	1.2
369.19119	5.0
386.32510	1.0
482.18567	0.5
513.23151	1.4
534.79047	0.7
710.41608	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	710.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01870	0.4
55.05504	0.7
57.03434	0.6
59.04992	0.8
61.02919	0.6
65.03938	0.3
66.35603	0.2
67.05502	1.1
68.55782	0.2
69.03429	2.8
69.07076	1.9
70.06595	3.1
71.04984	1.0
72.08156	2.4
73.02921	0.9
79.05483	1.3
81.03418	3.5
81.07059	3.8
83.04971	1.0
84.08134	0.7
84.09641	0.2
85.02908	7.3
85.06538	0.4
86.09716	1.1
87.04456	0.4
91.03927	0.4
91.05481	5.1
93.07053	1.4
95.04974	3.3
95.08148	0.2
95.08619	2.4
96.05389	0.2
97.02897	3.8
97.06531	0.7
99.04461	4.0
99.08092	0.5
103.03288	0.4
103.03946	5.7
103.05443	0.7
105.07030	6.5
107.04953	0.7
107.08587	2.7
109.02861	2.0
109.06527	4.1
109.10130	0.5
111.08056	0.5
115.05464	0.6
116.06220	0.9
117.07018	0.9
119.04967	0.6
119.08589	4.1
120.08109	0.6
120.53346	0.2
121.06522	1.8
121.10136	1.8
122.07259	0.6
123.04406	0.5
123.08092	1.8
123.11720	0.6
125.09651	0.4
127.03919	9.4
128.04222	0.2
128.06233	0.4
129.07036	1.6
129.39441	0.2
130.07780	0.8
131.08568	9.1
132.08919	0.4
133.06482	4.6
133.10135	1.3
133.59859	0.2
134.07307	0.2
135.08075	1.4
136.07526	0.4
137.05986	2.8
137.09625	0.4
141.06940	0.3
143.08543	1.0
145.04956	3.7
145.06517	0.5
145.10109	4.4
146.07245	0.5
146.10860	0.3
147.04405	0.5
147.08028	2.3
147.11691	7.8
148.12041	0.4
149.09610	3.0
150.10416	1.2
151.07544	2.5
156.09355	2.8
159.08080	1.2
159.11642	0.3
160.08897	0.5
161.09624	2.1
161.13261	1.7
163.06018	3.6
163.11185	0.7
165.12758	3.3
171.11694	4.0
173.09590	0.4
174.10411	13.5
175.10803	0.6
179.14311	0.3
179.78717	0.2
187.06094	0.4
189.12746	100.0
190.13080	5.4
191.14301	1.0
207.13806	61.9
208.14157	3.4
225.14867	2.2
231.13748	0.6
249.14948	0.4
271.08151	0.7
289.09113	0.7
295.28027	0.2
307.10312	1.6
351.18036	0.4
369.19052	9.5
370.19452	0.8
495.22495	0.3
512.09735	0.3
513.23248	1.2
547.93359	0.2
628.99194	0.3
675.28131	0.8
710.42346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05501	1.2
57.03441	1.9
67.05502	2.9
69.03428	4.6
69.07056	3.8
70.06601	6.8
71.04990	1.7
71.29715	1.1
72.07061	0.8
72.08159	25.7
73.08489	1.2
79.05492	4.0
81.03423	4.8
81.07053	6.4
81.10427	0.8
83.04998	1.1
84.08154	2.1
84.83571	0.8
85.02906	14.3
86.09744	4.1
91.05479	8.4
93.07030	4.5
94.03584	0.8
95.04984	3.0
95.08603	3.1
97.02908	6.8
97.06538	1.1
99.04461	9.3
103.03930	11.1
105.07030	11.8
107.08599	7.1
109.02869	4.1
109.06523	4.4
109.10156	1.6
111.08122	1.1
115.05444	0.9
116.06242	1.0
117.07005	1.3
119.04948	1.5
119.08582	19.6
120.08099	2.3
121.06516	2.6
121.10144	3.9
122.07258	1.7
123.04410	1.4
123.08089	2.6
123.11717	4.1
127.03919	19.0
128.10699	1.8
129.06975	1.7
131.08592	9.8
133.06502	2.1
133.10143	5.6
135.08032	1.8
137.06033	3.9
143.08522	1.7
145.04953	7.5
145.10129	4.6
147.04425	1.5
147.08057	2.7
147.11691	20.2
148.12016	1.0
149.02365	1.6
149.09633	3.4
151.07535	2.4
151.11217	1.5
156.09369	2.6
161.09644	2.3
161.13271	7.1
163.03951	1.7
163.05980	6.0
165.12769	4.5
171.11696	3.0
174.10400	16.5
189.12746	100.0
190.13068	5.2
207.06540	2.4
207.13806	73.3
208.14130	4.7
216.37646	0.9
217.06917	1.0
225.10056	0.9
225.14995	1.3
271.08093	2.3
289.08994	2.0
307.10309	5.3
368.31628	1.7
433.09546	0.9
469.58667	0.9
482.42624	0.8
516.31506	1.0
548.35284	1.3
692.38806	1.1
710.29266	2.3
710.42120	12.1
711.41388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.8
57.03431	4.5
57.07076	8.9
61.02939	25.0
66.01366	2.7
67.05510	42.0
68.86568	2.4
69.03442	4.7
69.07082	10.3
71.04971	3.3
71.08627	6.8
71.29224	3.2
73.02921	8.3
75.54364	3.1
79.05502	13.2
81.07062	55.0
83.08617	13.0
85.02913	33.7
91.03954	24.2
91.05493	11.4
93.06487	2.6
93.07033	13.8
95.08614	53.3
97.02896	23.4
97.06525	4.4
97.10185	7.8
99.04443	3.8
101.69154	2.6
105.07050	8.0
107.08606	11.1
109.10156	29.4
109.72066	2.6
111.11761	4.2
114.81284	2.5
116.67382	2.9
118.88202	2.8
119.08601	9.0
121.10144	17.6
123.11696	18.1
126.86343	2.7
127.03934	10.8
133.10143	8.3
135.11708	10.5
137.13271	9.1
145.04965	13.5
147.11696	6.5
149.13284	10.1
151.14842	7.8
159.84639	2.6
161.13292	9.3
163.06041	14.5
163.14876	9.7
165.16364	6.3
175.14877	10.1
179.17955	5.4
185.30888	3.2
189.16444	5.2
212.82027	2.7
233.32863	2.8
245.22668	56.2
246.22905	3.8
263.23706	100.0
264.24121	5.7
265.25317	4.7
281.24774	3.1
337.27377	44.7
355.28473	8.4
406.78693	2.9
446.62259	3.3
450.94104	3.1
546.17719	3.0
552.09302	2.8
629.32849	3.0
672.60297	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	710.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22365	2.0
55.05510	13.7
57.03439	5.9
57.07071	6.2
61.02931	26.8
67.05509	45.4
69.03420	5.1
69.06740	2.4
69.07074	17.3
69.64729	10.4
70.22462	2.0
71.08641	4.1
73.02917	9.4
79.05499	16.4
81.07063	50.4
83.08620	16.6
85.02433	2.9
85.02915	40.0
85.10195	3.0
85.83192	2.0
91.03965	26.1
91.05471	10.8
93.07050	15.4
95.08618	51.0
97.02888	20.2
97.06540	5.9
97.10179	10.0
99.04431	3.1
99.08070	4.5
105.07039	7.2
107.08620	10.4
109.10174	23.9
111.08102	3.0
111.11720	4.8
113.09676	2.2
119.08591	8.2
121.10132	16.8
123.11723	16.6
125.09824	2.1
126.03078	2.0
127.03922	11.7
133.10156	11.7
135.11696	10.8
137.13275	6.6
141.12772	4.1
145.04953	14.7
147.11719	8.0
149.13246	6.4
151.14824	6.9
155.14363	3.0
161.13277	9.5
163.06029	16.2
163.14867	7.3
165.16461	10.9
175.14859	6.1
177.23549	2.2
179.17955	4.1
189.16397	3.7
200.26865	2.4
245.22672	54.8
246.23088	4.1
262.25250	3.7
263.23718	100.0
264.24063	5.5
281.24899	2.5
337.27399	56.6
338.27588	4.5
355.28442	10.8
365.35040	2.5
411.41852	2.3
480.20007	2.8
589.14142	2.8
689.07800	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01859	0.7
58.06600	0.3
65.03937	1.9
69.03423	1.0
70.06597	4.0
72.08151	1.5
74.06060	0.4
81.03416	1.1
81.07063	0.5
84.04507	0.4
84.08135	1.0
85.02908	2.4
86.09699	1.5
86.38713	0.2
91.05482	13.1
93.07070	0.4
95.04967	0.3
95.08591	0.4
97.02902	1.1
98.06042	0.2
99.04441	0.8
102.05550	0.4
103.03947	1.9
105.07048	0.5
107.04931	0.6
107.08593	0.9
109.02878	0.9
109.06546	0.3
110.07169	0.8
112.08736	0.5
115.08672	0.5
119.04948	28.9
119.08580	0.6
120.05296	0.7
120.08096	1.1
121.02867	3.9
121.10111	0.4
123.04455	0.3
127.03925	2.4
128.04274	0.4
128.10722	0.3
129.10222	0.4
131.08557	0.5
133.06499	0.3
133.10220	0.3
135.04378	0.2
136.07590	0.7
145.02831	1.1
145.04959	1.0
145.06425	0.6
147.04410	100.0
147.11688	0.7
148.04739	3.2
148.11987	0.3
149.09592	0.3
152.89032	0.3
155.08258	0.3
157.06429	0.3
159.37849	0.3
161.13225	0.4
163.06035	1.0
169.09775	0.3
171.04404	0.3
171.11655	0.3
173.13351	0.6
175.03966	0.6
176.01088	0.3
177.05496	0.5
185.09163	1.2
189.01868	0.8
189.05438	0.4
189.12717	1.0
190.13014	0.4
191.03380	0.7
191.14458	0.4
195.02930	0.5
203.03404	1.0
207.02881	0.4
207.06500	0.6
207.13763	1.4
208.14093	0.5
215.03375	0.3
217.04948	0.4
219.02852	0.3
225.14822	0.4
231.06464	0.6
233.04446	0.4
256.12799	0.5
267.06567	0.4
273.07416	0.3
279.06577	0.3
280.07535	0.3
281.08142	0.3
283.06042	1.6
284.06528	0.3
291.08627	0.8
293.08020	0.5
294.05228	1.4
295.06027	4.5
296.06522	0.5
297.07553	0.5
307.06036	3.8
307.09500	0.3
308.06818	1.4
309.09973	5.6
310.10141	0.5
313.07111	1.8
319.06036	0.5
320.06680	0.6
321.07556	2.8
322.08322	0.3
323.09042	0.4
325.07001	3.6
333.07495	1.5
335.08905	1.2
337.07065	5.9
338.07251	0.3
339.08463	0.2
341.08344	0.3
345.07529	1.0
346.08847	0.2
347.09064	0.5
349.07025	2.9
350.07596	0.4
351.08746	1.2
355.08072	0.7
361.07086	1.8
363.08563	1.1
367.08041	1.9
373.07034	0.8
375.08618	0.5
379.08078	3.7
385.09082	0.8
387.08688	0.3
391.08093	4.8
403.08246	0.6
409.09183	2.0
421.09094	0.4
425.10172	0.8
427.10321	1.6
433.09396	0.4
439.10309	0.5
445.10190	0.3
451.11526	0.4
453.09735	0.3
454.34021	0.3
457.11121	0.8
463.10629	0.4
471.10687	1.0
475.12201	1.3
481.11240	1.2
483.10788	0.6
493.55685	0.3
499.12137	0.6
501.11658	0.9
502.12476	0.4
511.12289	1.3
525.11737	2.2
529.13721	1.2
537.12073	0.5
547.14410	0.5
555.12799	3.2
556.13269	0.5
573.13849	1.7
574.14838	0.3
591.14777	3.7
592.15417	0.4
603.15527	0.4
621.15802	1.1
645.15930	3.5
646.16364	0.6
657.15930	0.5
675.17059	2.3
676.17993	0.4
693.17639	0.7
710.42249	0.6
711.35089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	0.9
55.05502	1.2
57.03447	0.6
61.02932	0.8
65.03941	2.9
67.05490	1.1
69.03419	3.1
69.07059	0.7
70.06592	11.1
71.04974	0.7
71.30444	0.6
72.08161	4.1
73.02904	1.1
79.05487	1.3
81.03419	3.4
81.07049	1.7
83.04971	0.8
83.08604	0.9
84.04485	0.5
84.08137	3.4
84.12999	0.5
85.02901	8.9
86.03211	0.8
86.09700	4.4
86.52747	0.5
87.04491	0.9
91.05477	19.1
92.05816	0.5
93.07067	1.4
95.04964	0.9
95.08598	2.0
97.02890	5.9
98.06053	0.7
98.09660	0.6
99.04451	5.9
100.04794	0.9
100.07597	0.7
100.11260	4.7
103.03933	7.7
103.05432	0.6
104.04282	0.5
105.07025	3.1
106.07332	0.8
107.04952	1.4
107.08582	1.0
109.02862	3.1
109.10125	0.9
110.03236	0.5
110.07146	1.3
114.09076	0.7
115.03942	0.6
117.07005	2.4
119.04940	34.9
119.08567	2.2
119.20843	0.5
120.05223	1.1
120.08106	2.6
120.08858	0.8
121.02874	5.6
121.10133	1.3
127.03912	10.7
128.04266	1.6
129.06970	0.7
129.10236	1.7
131.04918	1.0
131.08487	0.8
133.06461	2.6
133.10121	1.5
134.06783	0.7
135.04387	0.6
135.08037	0.6
136.07599	0.7
139.07564	3.5
140.07864	0.7
143.08507	1.2
144.75719	0.5
145.02808	1.2
145.04953	4.9
145.06071	0.8
145.06467	0.7
145.10118	0.9
146.05269	1.2
147.04404	100.0
147.11659	2.7
148.04730	3.0
148.12042	1.4
155.08151	1.0
156.09354	1.5
159.11638	2.4
160.12061	0.8
161.13275	0.8
163.03903	1.5
163.06042	2.8
163.11104	0.6
167.11826	0.5
171.04356	0.6
171.11668	4.4
172.12006	1.9
173.06076	0.6
175.03885	1.4
177.05591	0.6
177.12804	3.0
178.13138	1.2
179.14247	0.7
182.15385	1.5
187.04001	0.7
187.14337	0.7
189.01863	1.2
189.05513	0.5
189.12759	7.1
190.13055	3.1
191.03488	1.1
191.14337	1.4
201.05482	1.8
203.03371	1.1
207.02972	0.6
207.06552	2.0
207.13799	17.6
208.14111	8.2
209.04359	0.6
209.16486	0.9
210.14935	1.7
215.14003	0.7
219.02908	0.6
225.14856	1.2
226.15344	1.1
261.07556	3.2
263.06976	0.6
268.56458	0.5
272.08502	0.8
279.06207	0.7
279.08725	4.9
281.08063	0.5
283.06015	1.6
286.12424	0.7
289.08978	1.1
294.05228	2.0
294.08200	0.5
295.05957	5.0
297.07562	1.2
305.08020	0.8
307.06015	7.8
307.09595	0.7
308.06638	3.1
309.07263	4.0
313.07068	2.7
319.06012	1.0
320.06726	0.7
321.07529	3.5
325.06970	4.9
333.07584	2.2
335.05713	0.7
335.09299	1.9
337.07037	10.0
338.07373	0.7
345.07553	1.2
347.09268	1.5
349.06946	3.3
351.08716	2.3
355.08304	1.3
361.07016	3.9
363.08569	1.9
367.08237	2.0
368.31598	1.2
373.07135	0.8
375.08539	0.8
379.08096	5.7
386.32596	1.5
391.08087	4.3
397.09576	1.1
398.09274	0.5
403.08154	1.6
409.09149	3.2
415.10052	0.8
421.09311	1.5
425.09991	1.6
427.10196	4.6
433.11365	3.0
437.10056	1.1
439.10065	1.6
445.10873	2.2
453.09778	0.7
455.11301	3.4
457.11264	7.8
458.11432	0.7
463.10602	1.1
465.09293	1.2
475.12244	3.1
479.11261	1.2
481.11368	2.1
483.10577	2.6
493.11545	1.6
498.27567	0.8
499.12323	1.2
501.11664	3.4
507.10794	1.2
511.12573	3.8
529.13354	3.3
537.11469	0.6
547.14569	3.2
549.11340	0.9
555.12640	1.0
557.14160	1.0
567.12970	0.6
573.13940	2.3
585.13745	3.8
591.14923	6.8
592.15387	1.1
603.14716	3.3
621.15729	2.3
645.15955	0.8
675.17145	1.5
679.50854	2.5
680.51135	1.5
693.17944	1.4
710.42969	2.9
711.18701	1.5
711.31079	0.9
711.42792	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	711.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05510	2.3
56.05035	2.4
57.03437	25.2
61.02913	1.2
65.94269	1.2
67.05522	1.3
69.03443	1.6
70.06207	2.0
70.06590	32.8
71.01365	1.4
71.04994	2.3
71.29398	1.9
72.08157	5.6
73.02921	14.9
74.06081	2.6
75.04478	58.3
81.03413	3.0
83.04980	2.8
84.04514	4.3
84.08139	14.1
85.02905	15.5
86.09698	9.0
91.05507	1.6
97.02879	3.1
98.06055	1.5
99.04443	2.6
101.07149	1.5
103.03944	3.9
103.05428	1.9
105.07049	1.5
109.02877	3.2
110.07172	6.0
111.04436	2.4
112.07600	1.5
116.07090	2.0
119.04947	6.9
120.08099	6.8
121.02861	29.6
121.03696	2.3
127.03953	5.0
129.10240	9.9
134.06007	2.7
136.07603	2.7
140.07019	1.5
145.02885	3.0
145.04962	2.4
147.04401	1.9
163.03996	1.7
164.07172	2.0
169.09731	1.7
171.07826	1.3
173.13248	1.6
177.01909	2.1
187.03867	2.4
189.01868	5.7
191.03413	3.4
195.02907	3.1
201.05479	2.2
203.03381	9.1
205.04938	1.5
207.02919	4.9
207.06583	1.7
213.12355	2.3
215.03389	4.7
217.04988	4.9
219.02832	2.7
221.04407	2.0
231.02971	1.9
233.04503	4.4
241.05234	1.3
245.04561	1.9
254.53296	1.2
255.02908	1.6
261.04132	2.0
268.07349	2.5
273.03961	2.0
279.06512	2.7
281.08093	3.9
283.06122	5.7
284.06580	2.0
292.07404	2.4
293.08157	2.8
294.05209	17.5
295.06009	55.0
296.06528	6.0
297.07697	5.6
305.08069	2.1
307.06036	39.0
307.09387	2.2
308.06754	13.8
309.04126	2.6
309.07446	15.1
313.07092	3.6
317.08041	2.1
319.05939	4.6
319.09592	1.8
320.06815	8.3
321.07541	32.9
322.08115	8.3
323.05692	1.9
323.09158	3.8
325.03232	2.2
325.07068	44.7
326.07297	2.9
329.08249	3.7
333.07657	14.0
334.08212	5.8
335.09055	19.2
336.06287	4.4
337.07047	49.1
338.07385	3.7
339.08557	2.8
345.07541	10.0
347.09113	5.9
349.07050	45.7
349.11163	3.0
350.07477	4.5
351.08603	17.6
355.08127	10.5
361.06943	23.8
361.10928	2.4
362.07376	3.3
363.08521	19.4
364.08890	2.0
367.08121	8.1
373.06998	12.1
374.07425	2.5
375.08432	8.3
379.08115	54.3
380.08517	5.8
385.09277	1.8
387.08630	5.9
389.10492	2.6
391.08084	46.9
392.08548	3.8
397.09323	1.8
401.10388	2.6
403.08075	13.4
405.09824	3.1
409.09128	53.0
409.14624	2.9
410.09509	4.1
415.08191	9.5
417.09695	3.9
421.09387	6.6
427.10223	82.7
428.10526	6.1
429.09634	2.2
433.09119	11.9
434.09766	1.6
439.10184	4.6
445.10455	6.8
457.11356	17.4
463.10159	7.6
475.12338	27.1
476.12476	2.3
481.11227	27.2
482.11856	4.4
493.11203	8.2
499.12326	28.3
500.12787	3.7
511.12332	71.3
512.12555	6.3
529.13385	55.2
530.13702	5.8
531.15668	1.7
547.14417	100.0
548.14850	9.2
549.16711	4.4
565.15222	9.1
573.16168	1.8
711.35864	5.7
742.74652	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	712.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
53.22250	1.2
55.01871	5.2
55.05523	3.7
56.05022	2.9
57.03446	1.9
61.02935	2.9
67.05502	4.4
69.03425	12.3
69.07067	4.6
70.06595	91.0
71.04988	3.9
71.06927	1.6
71.29566	1.2
72.08159	10.2
73.02917	2.9
74.06091	3.6
79.05508	4.3
79.32742	1.2
81.03423	17.2
81.07061	9.5
83.04993	2.6
83.08627	1.6
83.53033	1.2
84.04514	4.0
84.08142	7.0
85.02908	51.5
85.06564	1.6
86.06055	1.7
86.09714	21.5
91.05466	7.1
93.07034	8.9
95.04971	8.0
95.08609	13.1
97.02893	27.5
97.06518	1.9
99.04456	33.9
101.07174	2.0
103.03946	57.8
105.07017	14.2
107.04959	3.4
107.08605	12.5
109.02891	18.4
109.06518	2.7
109.10161	3.8
110.07175	3.2
111.08100	1.7
112.08733	1.5
114.05500	1.7
115.08710	2.1
116.07104	5.8
117.06995	1.6
119.05008	1.6
119.08588	15.5
120.08121	4.6
121.06495	5.4
121.10131	9.9
126.09206	1.4
127.03918	79.7
129.06998	2.1
129.10268	3.9
131.08569	17.9
133.10132	22.6
135.08055	19.7
135.11702	4.3
136.07570	2.6
137.09618	3.6
141.10240	2.9
143.08611	2.7
145.04964	48.3
145.10112	8.2
147.04503	1.5
147.11714	12.8
149.09642	2.8
149.13277	10.7
152.10725	1.6
155.08165	3.0
158.10916	6.0
161.13310	3.3
163.06026	29.7
163.14873	5.1
169.04951	2.0
169.09808	1.9
171.11320	8.9
173.13269	62.5
174.13577	4.0
175.14801	12.4
177.05470	2.0
181.09708	15.8
181.29689	1.4
187.06046	5.2
187.14449	3.6
191.14317	100.0
192.14658	4.3
197.12831	2.4
199.10797	5.5
205.07076	3.6
207.06612	3.5
209.15352	21.8
211.14363	1.2
215.13994	3.5
227.16512	1.9
252.13478	3.7
271.08096	6.5
282.14536	2.2
289.09183	6.6
294.17938	2.3
299.16748	1.3
307.10110	7.1
312.19400	2.1
365.18231	7.9
383.19266	3.3
395.22928	3.0
413.23901	11.4
478.26611	8.5
484.27673	3.1
528.30072	2.7
597.32953	2.5
712.39502	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	712.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90295	0.8
53.03944	4.2
55.05517	2.1
57.03440	2.2
57.07079	0.8
58.06584	0.9
61.02929	2.9
67.05502	3.0
69.03427	12.3
69.07063	2.1
70.06599	14.4
70.36218	1.6
71.04987	4.6
72.08150	7.2
73.02921	4.0
79.05504	2.5
81.03420	17.4
81.07063	4.6
83.04993	2.4
84.04514	1.4
84.08150	3.0
85.02907	60.2
85.06544	1.2
86.03250	1.1
86.09717	5.0
87.04482	2.7
91.03960	0.9
91.05462	4.8
93.07024	4.1
95.04977	5.0
95.08610	15.5
97.02893	34.9
97.03515	1.8
97.06550	3.0
98.03251	0.9
99.04458	38.6
101.02361	0.9
103.03944	71.4
104.04289	2.3
105.07037	9.2
107.04977	2.8
107.08627	3.5
109.02884	23.1
109.06535	3.3
109.10191	2.3
110.03234	1.0
110.07186	1.7
111.04476	1.0
111.08112	1.0
115.03975	1.4
115.08633	0.8
117.07045	2.4
119.08580	6.7
120.08134	3.8
120.46268	0.9
121.06530	2.5
121.10145	4.5
123.08087	1.9
123.11726	1.1
127.03919	100.0
128.04259	2.7
128.10695	0.9
129.10263	1.5
131.08572	8.4
133.10132	12.4
135.08075	9.4
135.11694	1.4
139.07555	1.7
140.07912	0.9
142.12126	0.8
143.08559	2.6
145.04964	51.3
145.10115	6.1
147.11691	6.4
149.05949	0.9
149.13297	2.2
153.09117	1.2
156.09433	1.2
158.10927	6.1
159.09312	0.8
159.11652	2.0
161.13304	2.8
163.06024	44.4
163.14874	2.8
164.06378	1.0
165.12769	1.0
167.08206	0.9
169.04956	1.2
171.11693	1.8
173.13263	56.8
174.13599	2.4
175.14835	8.3
184.99976	0.8
187.06033	6.0
189.12706	2.0
191.14316	52.5
192.14680	2.2
197.13161	1.3
199.05974	0.9
205.07143	3.1
207.06496	1.6
207.13812	7.2
208.14175	4.7
209.15410	17.9
210.15710	0.9
227.14369	1.2
227.16498	3.6
253.07138	1.8
271.08093	10.8
289.09238	10.6
290.09570	0.9
307.10208	16.1
317.17410	0.9
335.18613	1.1
339.13315	1.1
342.08972	0.9
353.11398	1.1
415.01190	0.8
504.17325	1.0
515.25140	0.9
680.24017	2.6
712.36847	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	712.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05512	6.7
56.04788	0.4
56.05038	4.3
57.07085	1.9
58.02966	1.5
60.04529	1.2
65.03936	0.8
67.05507	10.4
68.05035	2.1
69.06731	0.6
69.07073	7.6
69.23351	1.2
69.23774	0.8
71.08624	1.1
72.04545	0.5
74.06075	0.6
79.05492	7.7
80.05005	1.4
81.03380	0.4
81.07063	9.6
82.06582	5.6
83.04969	0.7
83.08625	3.9
84.08136	0.6
85.10194	0.4
86.06066	1.6
91.05486	4.9
91.78205	0.3
93.07042	5.4
94.06563	2.7
95.04972	0.4
95.07326	0.4
95.08606	7.8
96.08141	1.0
97.06536	0.4
97.10175	2.2
98.06036	1.5
100.07607	1.4
105.07030	2.5
107.08601	2.7
108.08118	0.7
109.10160	3.6
110.06120	0.3
112.07588	0.6
114.09190	0.4
119.08586	6.1
120.08932	0.4
121.10143	3.1
122.09673	1.0
122.31248	0.3
123.11691	0.5
126.09264	0.4
131.08557	0.4
133.10147	1.5
135.08075	0.7
135.11702	1.7
137.13216	0.4
140.10678	0.5
149.13324	0.5
154.12256	0.6
161.13239	0.5
191.17931	0.6
213.79849	0.3
245.22552	1.2
250.25294	4.7
260.23776	0.3
262.25330	2.6
263.23651	1.0
280.26349	100.0
281.26694	5.3
298.27393	12.5
299.27777	0.7
713.31586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01862	2.3
55.05522	16.8
57.07082	6.0
62.46310	2.1
65.03946	3.7
67.05507	47.8
68.05029	2.2
69.03471	2.3
69.04865	9.4
69.05286	9.1
69.07072	15.1
70.06583	2.0
71.08646	4.7
75.72996	1.9
79.05495	30.3
80.05026	4.5
81.05785	2.2
81.07061	37.8
82.06565	5.4
82.07418	2.5
83.08635	8.5
85.10183	2.7
91.05488	28.9
93.07044	30.6
94.06577	22.0
95.04938	3.6
95.07359	6.4
95.08606	34.3
95.36220	2.0
96.08124	2.9
97.06563	2.5
97.10178	2.9
98.98489	6.0
103.05466	2.6
105.07030	19.6
106.06572	5.8
107.07307	2.1
107.08593	16.6
108.08137	11.1
109.10151	12.3
115.05482	1.9
117.07034	8.8
119.08596	17.1
120.08142	2.8
121.10157	9.4
122.09673	6.7
123.11749	6.5
131.08536	13.1
132.08138	3.0
133.09039	2.2
133.10133	9.9
134.09665	8.2
135.11720	6.2
137.13286	4.5
145.10133	8.0
147.10513	3.5
147.11690	5.2
148.11229	4.7
149.13274	5.1
159.11662	5.0
161.13226	2.4
163.14857	2.7
185.60359	2.5
194.81921	2.2
231.21107	10.8
243.21184	10.3
248.23766	12.6
260.23734	100.0
261.21887	4.7
261.24210	7.7
263.23792	2.8
272.25873	2.5
278.24899	9.9
337.27274	2.6
439.94473	2.5
502.45828	4.1
514.46124	11.7
515.46552	4.0
516.48065	3.0
532.47174	22.6
533.47388	3.5
576.47260	2.9
597.48773	55.7
598.48810	10.1
694.52228	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	713.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
56.05033	1.1
56.55742	0.2
57.05835	0.3
60.04520	0.5
60.18211	0.2
60.95868	0.2
68.05020	0.8
70.02963	0.8
70.06590	100.0
71.06303	0.3
71.06912	1.6
71.30096	0.3
72.08152	17.1
74.06075	3.2
75.05581	0.3
82.84563	0.2
83.05020	0.2
83.06104	0.4
84.04494	1.8
84.08144	3.3
85.02935	0.2
86.09705	2.5
87.05589	4.1
88.00407	0.2
88.03998	0.7
96.08102	0.3
97.07655	0.5
98.06039	3.0
98.06580	0.3
98.66266	0.2
99.04459	0.2
99.09212	0.3
101.07161	0.6
102.05540	0.4
106.05034	0.7
109.07646	0.5
110.02387	0.3
110.07172	1.2
114.05550	0.3
115.08699	1.7
116.07079	0.4
120.08180	0.4
122.06018	0.6
123.09286	0.4
124.07554	0.3
124.08733	0.2
124.11243	0.4
125.07101	2.9
126.05514	1.0
126.09164	0.8
126.12821	0.9
127.03979	0.3
127.08676	2.3
129.06599	0.3
129.10226	2.7
130.05025	0.4
136.07584	0.5
137.07094	0.8
139.08632	1.2
141.10231	2.8
141.13890	0.3
143.04529	0.3
149.01721	0.2
151.08691	0.4
151.12317	0.5
152.07104	1.6
152.08176	0.4
153.06560	0.5
153.10226	1.4
153.13889	0.2
154.08629	0.5
154.09773	0.3
155.08144	2.1
155.13936	0.2
163.08713	0.5
167.08163	9.4
167.09602	0.5
169.09677	1.9
169.13356	6.2
171.11287	4.2
178.11375	0.2
179.11847	0.4
180.11380	0.3
181.09697	3.0
184.10796	5.3
185.09172	0.5
186.12357	5.7
187.10814	0.4
194.20647	0.2
195.07663	1.9
197.12836	4.8
198.12503	0.4
199.10762	4.1
205.11877	0.2
206.78717	0.2
208.10817	0.5
209.09250	0.7
212.10291	25.8
213.08830	0.5
213.10672	0.9
214.11803	2.2
215.10426	0.4
223.18246	0.4
226.11780	0.3
226.15504	0.3
227.10242	0.3
229.11845	0.3
232.10884	0.5
236.13916	1.0
241.13107	0.2
245.18907	0.4
250.11961	0.4
251.11523	0.5
254.15114	0.8
262.15607	0.3
266.14981	4.5
267.09967	0.3
277.12836	0.3
278.11377	0.3
278.15033	0.2
280.16742	0.2
283.17648	1.6
284.12656	0.4
285.10959	0.3
286.17685	0.3
295.13885	1.8
298.17664	2.2
302.13385	0.2
309.07919	0.3
311.17123	6.8
313.15097	0.9
319.16156	0.3
323.13535	0.3
327.08621	0.3
384.22379	0.5
394.21201	0.3
398.20285	0.4
399.18839	0.9
401.06448	0.2
410.24026	0.8
412.22000	1.0
416.21375	16.3
417.21829	0.9
446.23547	0.2
491.26431	0.3
492.24649	0.5
499.25055	2.0
509.27234	2.3
517.26031	2.5
563.32623	0.3
580.34521	1.9
590.33020	0.9
591.31641	0.6
600.34222	0.3
608.24274	0.3
608.34027	5.0
609.34375	0.7
614.31500	1.8
648.53845	0.2
669.35486	0.3
695.37097	1.4
696.36298	0.4
713.38232	33.6
714.38373	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	713.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05036	2.4
57.05821	0.5
58.06607	0.8
67.05511	0.4
68.05028	0.7
69.07070	9.7
70.06593	88.3
71.06936	1.5
71.29194	0.4
72.08157	2.7
74.06081	2.7
78.91116	0.3
84.04503	2.3
84.08144	24.1
85.02917	1.0
85.08477	0.7
86.06080	0.5
86.09708	100.0
87.10028	2.1
91.05469	0.3
95.08993	0.3
97.02872	0.3
98.06057	0.6
99.04482	0.5
100.07643	0.4
101.07127	2.7
101.10797	0.6
102.05548	0.7
103.03935	0.9
103.80863	0.3
105.07059	0.3
109.07579	0.4
109.10143	0.4
110.07191	1.7
110.09666	0.3
112.03989	1.4
112.07614	0.6
112.11257	0.6
114.05543	0.4
115.08685	6.4
116.07092	0.8
116.09081	0.4
119.08570	0.7
120.08115	1.2
124.11226	0.8
126.05478	0.3
126.09148	1.5
127.03935	1.0
127.08679	1.1
129.06604	0.6
129.10243	14.6
129.11212	0.7
130.05003	0.4
130.08643	14.5
133.10133	0.7
136.07567	0.9
140.78009	0.4
141.10258	0.9
141.13872	0.6
142.12286	1.2
143.08173	3.7
143.11833	1.1
145.04967	0.4
147.11287	19.3
148.11671	0.4
148.61995	0.3
149.81403	0.3
152.10704	0.8
153.10262	1.7
154.08641	0.4
155.08145	3.1
156.08438	0.4
157.09674	0.4
157.13483	0.3
163.06079	0.4
167.11858	0.5
169.09753	1.5
169.13377	1.7
171.11290	15.4
173.13164	0.6
174.13622	0.6
175.14845	1.1
181.09715	24.3
182.10057	1.1
183.14919	1.5
185.12892	0.7
187.14420	8.8
191.14334	0.4
197.12852	2.9
199.10780	14.6
200.11072	0.5
209.15366	0.5
210.15808	0.6
211.14444	2.1
213.12338	0.5
215.13937	1.1
216.13628	0.6
228.16960	0.4
238.15552	0.3
240.13554	0.9
242.18681	1.3
243.13556	0.3
243.17094	0.5
247.49110	0.3
250.15581	0.4
252.13467	0.7
256.16541	2.6
260.19662	5.2
261.20035	0.4
265.15631	0.4
266.18695	0.6
268.16595	0.6
270.14511	0.5
284.19641	1.5
286.17755	0.4
294.18121	3.6
312.19150	2.7
330.20279	0.8
341.18210	0.4
343.23483	0.9
353.21909	1.4
361.24420	2.1
369.25107	0.9
371.22897	2.2
383.22913	0.5
393.95062	0.4
400.20203	0.3
436.25574	2.7
440.28625	4.6
454.26584	3.1
458.29739	35.4
459.29919	2.9
511.66779	0.4
521.34509	0.4
539.35297	0.7
549.33929	3.7
550.35248	0.3
567.35144	2.7
571.38336	1.9
695.44580	1.1
713.45544	70.8
714.45923	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01877	0.8
55.05510	10.5
57.03439	12.2
57.07067	1.4
59.04999	4.3
59.18417	0.6
61.02930	6.1
62.60716	0.6
65.03943	3.0
67.05505	100.0
68.05849	1.5
69.03439	0.7
69.07065	7.5
71.04999	2.8
71.30183	0.7
72.04476	0.8
73.02922	1.3
79.05493	18.1
81.07059	36.8
83.04978	0.7
83.08619	9.3
84.04510	0.7
85.02904	4.4
85.06550	3.0
85.22597	0.6
86.09711	1.9
91.03951	2.4
91.05483	12.3
93.07043	22.9
94.06531	0.8
95.04982	2.3
95.08607	24.4
95.51144	0.6
96.08961	0.7
97.02896	2.1
97.06528	1.6
97.10171	1.1
99.08097	0.7
102.05519	1.5
105.07021	6.2
107.08585	13.6
108.08250	0.6
109.10158	93.1
110.10483	1.9
111.08064	1.5
117.07047	3.1
119.08574	8.8
121.10156	8.9
123.11691	3.1
125.09634	1.1
127.11182	2.7
131.08566	5.5
133.10138	3.8
134.22916	0.6
135.11711	7.9
136.11215	0.9
137.09621	2.7
145.10080	3.2
147.11707	3.1
149.13243	3.0
155.10680	4.8
159.11708	3.0
161.13248	2.3
163.14777	2.2
173.11743	23.1
173.13210	2.1
174.12033	0.8
177.16484	1.1
182.11806	0.9
187.14769	0.7
200.11029	1.5
200.12820	19.3
201.13086	0.8
201.16341	0.8
227.12691	1.4
229.14366	16.3
230.14407	0.7
233.22736	0.9
243.21126	3.7
256.15439	79.7
257.15839	3.8
261.22141	13.8
262.22290	0.8
288.23215	0.8
299.23709	0.9
317.24597	1.7
335.25803	67.4
336.26224	7.1
384.53510	0.8
442.33084	1.5
489.35745	6.6
490.35687	1.0
507.36813	1.3
516.36865	13.7
517.36737	1.8
534.37915	15.5
535.37781	1.3
713.40558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05511	11.6
57.03441	11.4
57.07082	2.0
59.05017	4.0
61.02925	5.4
65.03947	2.2
65.48542	0.7
67.05508	100.0
68.05836	1.6
69.03438	1.9
69.07072	8.4
71.04992	3.0
71.08629	0.7
73.02918	1.4
79.05496	23.0
80.05853	0.9
81.07063	35.5
82.07404	0.8
83.08628	8.8
84.04505	1.1
85.02898	4.2
85.06553	2.9
86.97284	0.6
91.03959	1.5
91.05484	13.8
93.07046	28.0
94.07390	0.9
95.04964	2.4
95.08612	28.2
96.08910	0.7
97.02888	2.3
97.06533	1.6
97.10178	2.0
102.05549	1.9
105.07036	7.8
107.08601	14.5
109.06525	1.4
109.10162	88.7
110.10500	2.2
111.08073	2.6
117.07034	3.0
119.08578	10.0
121.09309	0.9
121.10152	14.3
121.43990	0.6
123.08044	1.0
123.11761	3.2
127.03899	0.9
127.11175	2.0
131.08565	4.9
133.10132	3.9
135.11696	7.2
137.09621	2.7
137.13280	1.1
145.10123	4.8
147.11708	2.7
149.13271	4.7
155.10657	2.8
159.11676	2.9
159.54019	0.6
161.13281	2.6
163.14824	2.4
173.11766	19.7
173.13237	2.6
174.12146	0.7
175.14796	1.4
187.14787	1.5
193.37775	0.7
200.12846	17.7
201.13109	1.2
216.07797	0.7
227.12778	1.2
229.14346	13.6
229.16463	1.4
230.14719	1.1
243.21133	4.8
256.15454	64.7
257.15689	3.4
261.22156	15.3
262.22458	1.3
288.23157	0.8
289.65433	0.7
306.24167	0.8
317.24774	2.0
335.25809	81.6
336.26230	6.4
442.32889	1.1
489.35718	10.5
490.35861	1.0
507.36673	1.2
516.36884	27.9
517.36871	4.0
534.37891	13.5
535.37976	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	714.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
65.26060	1.1
69.03427	3.2
70.06640	6.0
72.08152	1.4
79.05495	1.3
81.03442	2.4
83.75906	1.1
85.02901	6.0
86.09718	1.8
91.05504	2.7
94.04189	1.9
95.23594	1.1
95.29787	1.1
97.02895	3.4
103.05450	5.8
105.07045	4.2
109.02906	4.8
109.06525	2.5
114.52195	1.0
115.05468	3.0
119.04951	1.9
122.03651	5.4
127.03942	3.3
131.04941	11.7
133.06523	2.8
137.05981	100.0
138.06302	2.7
145.06465	2.8
147.04395	2.5
151.03922	4.9
151.07599	2.1
159.04465	1.6
161.05940	6.3
163.07561	19.8
164.07942	1.5
173.05995	1.1
175.07541	1.9
187.06107	1.7
189.05470	7.3
201.05463	5.5
203.07069	1.5
205.06602	3.5
207.06531	57.2
208.06932	2.2
215.07077	6.5
219.08182	1.5
222.06816	1.5
233.05928	2.6
233.08145	12.1
234.06833	2.5
235.07689	1.6
237.09174	3.8
247.07990	1.2
250.06314	3.1
251.06815	1.1
262.06351	2.4
264.07910	1.4
265.08685	7.7
266.09143	1.8
272.96735	1.0
277.08737	2.4
279.10202	1.9
283.09906	1.4
292.07504	3.0
293.07999	5.3
297.11359	3.6
305.08078	2.8
307.09756	6.8
309.11002	1.4
311.12708	1.9
323.09259	2.5
325.10699	11.6
337.10742	6.1
339.12283	25.8
339.16098	2.1
340.12753	3.0
343.11795	12.1
355.11926	9.8
357.13443	5.0
373.12894	1.2
595.83643	1.4
731.59021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	27.0
57.03442	9.5
61.18584	8.0
67.05501	78.0
69.07061	16.3
71.05000	9.8
79.05499	61.5
81.07057	100.0
83.04990	10.3
83.08597	24.0
91.05479	39.0
92.52039	8.8
93.07036	58.7
95.08600	62.6
97.06539	14.2
98.23409	28.0
105.07049	31.9
105.97517	9.5
107.08603	31.7
109.10159	48.9
117.07003	10.0
119.08588	27.9
121.10122	21.6
135.11725	11.0
143.08607	9.9
145.10138	16.9
147.11700	26.2
161.13126	13.1
173.11702	11.4
192.32176	10.3
211.06738	9.6
218.87730	13.0
219.61496	8.6
229.14400	28.6
229.89952	11.2
242.30838	9.7
243.21178	12.7
259.20547	9.3
335.25610	43.3
383.87909	10.0
425.34189	13.4
499.37952	12.0
517.38940	44.5
599.50708	15.1
655.27039	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38159	1.6
52.32933	1.4
53.03947	2.4
53.40744	1.4
55.05519	13.0
57.07086	3.6
62.09267	1.6
67.05511	51.2
69.07071	17.2
71.08607	2.1
79.05498	19.2
81.06588	2.8
81.07066	52.2
82.06574	2.1
83.08620	6.9
83.77920	1.5
91.05492	13.9
93.07041	18.4
94.06568	3.3
95.07350	1.9
95.08611	37.1
97.06538	3.1
97.10169	3.6
98.98474	6.3
105.07044	7.9
107.08611	8.9
107.58239	1.4
108.08154	1.4
109.10157	11.4
119.08571	6.2
121.10159	7.9
123.11688	3.1
133.10132	4.9
135.11690	5.5
137.09628	1.7
147.11722	3.0
149.13286	2.2
155.01039	5.6
163.14799	2.1
175.14816	2.4
245.22644	2.7
250.25330	2.0
262.25311	27.3
263.23566	7.6
272.25879	1.9
280.26389	5.5
304.26489	2.2
306.27902	4.3
319.26337	2.7
337.27405	4.8
443.67233	1.6
516.47754	6.6
527.04504	2.2
534.48175	2.1
599.50385	100.0
600.50580	15.1
625.63708	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	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58672	0.5
53.03937	2.5
55.05513	9.4
56.05039	4.5
57.07077	4.0
58.06591	0.8
60.04519	2.4
65.03939	1.0
67.05504	23.0
68.05023	1.5
69.03423	1.4
69.07067	13.5
69.56035	2.9
70.06590	2.1
71.08619	2.2
71.15057	0.5
77.03909	0.8
79.05068	0.9
79.05499	14.2
80.05024	3.8
81.03426	1.5
81.05791	2.2
81.07053	18.7
82.06581	10.2
83.08622	6.6
85.02892	2.5
91.05482	13.4
93.07040	14.9
94.06569	25.0
95.04977	1.4
95.07363	9.5
95.08611	14.0
96.08139	6.9
97.02901	0.7
97.10168	3.1
98.22649	0.7
105.04501	0.8
105.07027	9.0
107.08589	8.3
108.08111	3.8
109.10137	4.9
111.08102	0.8
119.08579	7.3
121.08861	0.7
121.10140	8.0
122.09682	3.0
123.11696	1.7
124.11176	0.9
133.10136	4.6
135.10533	0.6
135.11700	3.0
136.11227	1.0
137.13283	1.0
147.11671	1.9
161.13254	1.1
175.14836	0.8
211.63509	0.6
219.20984	1.0
233.22707	3.5
234.22319	0.9
245.22656	4.8
247.82063	0.6
250.25290	8.1
254.24757	1.0
262.25296	100.0
263.25751	7.7
272.25851	6.8
280.26373	7.3
300.40784	0.6
368.31433	0.6
488.66299	0.7
504.47791	4.6
514.83655	0.9
516.47742	25.5
517.48065	4.1
518.49414	5.1
534.48834	12.7
535.49207	2.7
599.50275	9.3
600.50830	3.0
696.53949	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	714.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05512	7.5
56.05028	4.9
57.07077	5.4
60.04512	2.3
65.03926	1.3
67.05505	15.2
68.05034	1.5
69.03432	0.9
69.07066	9.1
70.06576	2.5
71.08629	1.5
77.03902	1.1
79.05066	1.1
79.05493	14.7
80.05006	3.9
81.03412	1.4
81.05818	1.5
81.07058	14.2
81.07538	1.3
82.06574	8.3
83.08607	6.7
85.02888	2.5
85.10204	1.3
91.05474	9.6
93.07041	13.1
94.06564	23.0
95.04978	1.8
95.07365	9.8
95.08601	9.7
96.08121	6.3
97.06503	0.9
97.10165	3.2
103.95504	0.7
105.07036	7.9
107.08587	5.2
108.08134	4.2
109.10159	4.0
119.08582	6.2
121.08840	1.0
121.10156	7.4
122.09663	3.1
122.10468	0.7
123.11646	1.0
133.10126	4.0
135.11685	2.8
136.12138	0.7
147.11641	1.7
149.13249	1.7
161.13275	1.1
230.07294	0.7
233.22676	3.2
234.22160	1.0
245.22662	4.4
250.25250	7.9
254.24968	0.9
262.25293	100.0
263.25690	7.9
272.25781	4.1
280.26334	6.2
284.34412	0.9
504.47925	3.6
505.47906	1.1
516.47772	22.2
517.47809	2.5
518.49310	3.5
519.49548	1.0
534.48822	11.8
535.49048	2.0
573.47955	1.3
599.50470	0.9
696.54089	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	715.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05504	0.6
59.05006	0.4
60.87388	0.6
69.03437	2.1
69.18177	1.3
69.18599	1.7
70.06597	8.9
70.71832	0.4
71.06911	0.4
72.07755	0.8
72.08157	15.8
79.05499	0.9
81.03426	1.6
81.07062	0.9
83.11308	0.4
84.04476	0.9
84.08144	2.7
85.02914	3.0
86.09716	4.2
91.05500	1.7
93.07042	0.9
95.04964	3.8
95.08604	1.1
97.02891	1.5
97.06542	0.5
98.22622	0.9
99.04453	1.1
102.05583	0.4
102.09193	0.7
103.03945	0.9
103.05476	0.9
105.07053	1.9
107.08629	1.0
109.02889	1.3
110.07192	1.2
111.46815	0.5
118.77866	0.4
119.08560	0.5
120.08125	1.2
121.10152	0.8
123.04444	0.9
124.08664	0.4
124.41885	0.5
127.03927	2.0
129.10220	1.0
131.08559	0.9
133.06506	4.7
133.10158	0.7
137.05995	0.7
145.10106	1.1
147.08049	0.5
147.11700	1.5
156.09349	0.5
161.09595	0.5
163.03937	1.0
169.04732	0.7
174.10402	1.1
183.14963	0.5
185.04272	0.9
187.06081	0.6
189.12769	2.8
203.05260	1.2
207.13765	0.6
210.48547	0.5
247.13097	0.9
285.09418	3.5
287.07428	2.2
329.08447	2.7
336.96805	0.5
347.09503	7.9
391.17273	5.5
392.17728	0.7
392.28159	1.1
395.14145	0.5
409.18436	4.3
410.18552	0.4
429.61304	0.5
433.18335	0.9
450.24207	0.5
451.19186	0.8
473.21475	12.9
474.21844	1.0
475.19135	5.2
491.22507	9.0
492.22537	0.7
493.20261	4.2
509.15030	0.6
517.20508	1.4
535.21509	15.2
536.21875	1.4
553.22571	44.2
554.22882	4.3
571.23383	0.8
653.27985	1.4
655.25793	0.9
698.37524	0.9
715.27679	100.0
716.27820	13.2
716.38715	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	715.2781
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
54.62370	0.5
55.05511	0.7
70.06594	5.0
72.08149	6.2
79.05494	0.6
81.07058	0.9
83.04987	0.5
84.04528	0.8
84.08147	1.3
85.02905	1.3
86.09702	2.5
91.05463	0.9
93.07028	0.5
97.02901	0.6
97.05627	0.4
105.07015	1.1
107.08566	0.8
109.02891	0.9
109.06475	0.7
110.07172	0.8
111.08091	0.7
119.04949	0.8
119.08600	0.7
120.08110	1.0
121.10135	0.7
129.10220	0.7
137.05928	0.6
147.11711	1.3
152.14513	0.4
175.03926	1.7
177.05435	0.5
185.04265	1.9
203.05240	1.2
207.06564	1.9
207.13918	0.6
230.22185	0.5
247.13107	0.5
285.09515	0.8
305.35663	0.4
311.07138	0.5
329.08505	0.8
347.09509	1.5
348.25415	0.7
365.10526	1.3
389.10599	0.6
401.46869	0.5
429.13635	0.6
447.14709	6.6
449.12860	1.4
451.18829	0.6
451.54178	0.5
473.21646	1.2
491.13745	0.8
491.22632	1.8
492.23294	0.6
493.20401	1.0
509.14777	6.1
510.14935	0.6
535.21252	1.3
536.30334	0.5
553.22424	4.6
559.22522	0.7
571.23590	3.7
572.23431	0.6
595.24054	0.7
613.24420	1.0
635.25897	2.4
637.24756	1.2
653.27594	8.5
654.28149	1.5
655.25946	3.7
656.26337	0.7
697.26349	3.2
715.27710	100.0
715.50201	3.0
716.27399	13.5
716.37506	1.8
739.08844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3299
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
50.61744	0.6
51.99843	0.7
71.28745	0.8
72.00739	0.7
83.24899	0.7
98.97616	1.8
131.00191	0.8
149.01263	0.7
175.33713	0.7
189.00769	1.4
229.49751	0.7
293.05695	0.9
321.04880	1.1
329.55035	0.7
455.10846	1.6
715.32983	100.0
716.33191	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61442	1.1
59.78185	0.9
60.63696	1.0
67.05495	1.0
69.87047	2.4
69.87437	2.0
98.23264	1.6
110.42448	1.0
111.68009	1.1
125.62048	1.0
136.07027	0.9
165.12111	0.9
197.94749	1.1
218.24263	1.0
244.81194	1.0
287.78638	1.0
321.04971	1.6
715.32928	100.0
716.33130	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27029	0.5
69.82545	0.6
69.82903	2.3
70.06596	1.5
73.01560	0.6
83.01086	0.9
86.09725	0.5
93.07038	0.9
95.01087	0.8
96.01843	0.6
97.10168	0.6
108.67609	0.6
123.19418	0.6
183.47519	0.5
185.04276	1.7
201.03777	2.4
201.22858	0.5
203.05348	2.5
257.06476	0.6
259.08069	1.8
275.07376	0.7
301.09134	0.6
317.08463	0.7
319.10138	2.0
329.08679	0.8
331.10049	1.6
347.09515	5.8
359.13214	0.7
363.09006	1.9
365.10574	6.6
421.13257	3.4
437.12778	1.0
483.22244	1.1
493.15146	5.3
507.17258	1.2
521.18774	1.0
535.19897	1.9
549.21790	0.6
553.29877	7.6
554.30627	0.6
563.23260	0.7
577.24786	1.9
617.26978	0.9
645.27002	1.1
715.35071	100.0
716.35370	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	716.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76601	0.4
55.01869	1.6
55.05516	0.5
57.03429	1.0
60.04519	0.4
61.02930	2.3
69.03432	4.5
69.07041	0.5
70.06593	7.9
71.01360	0.8
71.06907	0.5
71.29090	0.6
72.08154	2.9
73.02909	0.6
79.05531	0.5
81.03421	2.3
84.04519	1.5
84.08147	3.5
85.02908	17.0
86.09712	4.5
89.03935	0.5
91.03995	0.5
91.05478	0.9
95.04945	1.2
97.02888	6.2
99.00815	9.0
99.04442	1.4
101.07166	0.4
102.05577	0.4
103.05457	0.7
107.04963	6.0
109.02882	3.1
110.07158	1.4
112.08717	0.4
115.08708	0.5
117.01869	2.5
117.03349	0.8
119.04922	0.6
121.06509	3.2
122.03680	0.4
123.04436	7.5
125.06007	1.0
127.03927	3.9
129.06985	0.4
129.10239	3.0
129.84128	0.4
131.04913	0.9
133.02872	0.5
134.03630	1.5
135.04419	18.3
136.04738	0.6
136.07549	1.2
137.02333	1.1
137.05972	6.4
143.04929	0.6
145.02910	2.4
145.03976	0.6
145.04971	5.2
149.05986	11.6
150.06775	5.9
151.03896	1.2
151.07440	0.5
152.06229	0.9
153.05669	0.9
153.06996	12.2
157.06479	1.2
161.05965	2.1
163.03903	4.4
163.06004	1.7
163.07401	0.4
167.08501	1.4
168.05360	0.5
169.06560	0.4
171.08020	1.3
174.06790	0.6
177.05486	8.5
177.06960	1.2
180.08701	1.2
181.06480	25.2
182.06929	1.6
184.05215	0.5
185.09705	0.5
187.03870	0.5
195.06485	2.0
195.08052	1.8
198.06784	1.0
199.07552	16.5
200.07979	0.5
205.04927	0.7
205.06516	4.3
209.05980	6.9
210.06520	0.6
213.09109	5.3
219.07971	0.4
222.06676	0.7
223.07550	4.4
225.05530	0.6
226.06273	0.7
227.04848	0.9
227.07028	15.6
228.07574	1.6
233.06020	5.4
234.06642	1.2
237.09026	1.6
241.08617	4.0
242.09138	0.6
244.07289	6.2
250.06271	3.8
251.07048	16.5
252.07430	1.4
258.08893	1.9
259.09662	100.0
260.09985	5.1
261.05457	2.5
262.06116	0.8
263.06992	0.7
265.08649	5.3
268.07294	1.8
275.07397	0.4
278.05731	6.9
279.06522	15.9
280.07095	2.9
283.09650	9.2
293.08075	13.2
293.10934	0.3
294.08475	1.0
295.06015	0.8
296.06720	1.1
306.05270	1.6
307.05914	1.5
308.06808	1.6
311.09128	33.3
312.09464	2.3
319.47403	0.5
321.07565	7.1
322.07968	1.1
324.06250	1.9
328.08975	0.5
329.09842	0.8
339.08636	51.0
340.08926	3.8
357.09689	15.9
358.09882	0.8
375.10638	0.9
405.10516	0.7
716.40796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01881	0.7
56.05037	0.3
57.03437	1.1
58.01806	0.3
60.04531	0.3
61.02928	2.1
61.21716	0.2
63.02381	0.5
69.03433	4.8
69.10320	1.9
70.06599	4.0
71.05007	0.5
72.08161	1.3
73.02932	0.4
78.04731	0.3
79.05508	0.4
81.03418	1.9
84.04507	0.8
84.08147	2.2
85.02906	13.9
86.03237	0.3
86.09695	1.6
87.75407	0.2
89.03911	5.2
91.03959	1.0
91.05495	0.4
93.03432	0.3
94.36931	0.2
97.02891	4.6
98.23366	0.6
99.00854	0.7
99.04465	1.3
102.05550	0.3
103.05486	0.4
107.04974	1.2
109.02881	2.1
110.07235	0.3
116.07123	0.4
117.03378	14.5
118.03710	0.6
121.06492	0.3
123.04455	0.6
125.05978	0.3
127.03911	3.8
127.08659	0.3
129.10265	1.3
130.08621	0.2
134.03635	1.0
135.04424	7.9
136.07539	0.6
137.02373	0.3
137.05942	0.3
139.03900	0.5
144.06552	0.5
145.02849	44.4
145.04947	4.2
146.03198	1.7
147.04388	0.3
149.05984	6.0
153.05466	1.1
161.05992	0.5
162.03113	0.8
162.07643	1.2
163.03908	36.7
163.05841	1.2
163.47304	0.3
164.04254	0.8
177.05467	100.0
178.05809	3.5
180.08679	3.9
181.04968	12.9
181.06451	1.0
182.05299	0.3
186.05568	0.4
195.06529	59.3
196.06880	2.5
199.07568	0.5
209.06004	0.5
213.09016	0.4
227.07106	0.6
233.06010	0.3
244.07391	0.3
251.07115	1.0
259.09680	4.2
261.05948	0.6
279.06522	1.2
283.09555	0.7
293.08008	0.6
311.09085	1.5
325.09122	0.9
339.08206	1.5
357.09549	1.1
384.46869	0.3
388.75406	0.3
440.54449	0.3
715.40582	0.5
716.41931	1.3
733.25446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46436	0.3
51.59611	0.3
53.03929	0.4
55.01855	0.4
55.05492	1.0
55.75722	0.3
56.05020	0.6
56.78885	0.3
57.03418	0.7
65.03940	1.7
67.05478	1.4
68.04998	1.1
69.03397	1.4
69.07069	1.5
70.06586	3.2
70.44842	0.7
72.07809	0.3
72.08152	3.4
74.75409	0.3
77.03915	0.8
77.22840	0.3
79.05466	1.4
79.65392	0.3
80.04985	0.5
81.03430	3.3
81.05785	0.4
81.07037	0.9
82.06580	1.9
83.07365	2.3
84.08105	1.5
85.02910	2.5
86.09711	2.1
89.03896	0.4
91.05481	22.1
92.05788	0.6
93.05777	0.3
93.07005	1.3
94.06567	2.4
95.04970	1.8
95.07340	0.4
95.08591	0.8
96.08140	4.0
97.02866	0.6
98.09691	0.5
99.04422	0.7
103.05475	0.5
105.03377	0.7
105.06996	1.0
106.06524	0.3
107.04977	0.6
107.07294	0.8
107.08572	1.0
108.08115	2.3
109.02866	1.6
109.08885	1.0
110.09682	2.7
112.07602	3.0
118.04150	0.5
119.04943	34.4
120.05275	0.9
120.08086	1.2
122.09666	4.0
123.04428	7.7
123.10437	0.4
124.11201	0.6
126.09148	0.7
127.03873	1.3
127.09052	0.5
127.09928	8.2
128.10655	0.3
129.03369	0.5
129.10220	0.4
132.02025	0.8
133.02835	1.2
135.04364	0.5
136.11197	0.7
137.05945	0.4
140.10709	7.3
145.02864	0.9
147.04407	31.1
148.04716	0.9
149.02325	0.7
150.12740	0.5
154.12317	0.5
157.03969	3.2
161.02289	0.6
163.03902	0.8
164.04678	0.5
175.03903	65.9
176.04231	2.0
190.68752	0.3
192.04111	1.5
193.04932	0.5
206.19003	2.5
207.06522	67.3
207.71609	0.3
208.06831	2.7
212.63582	0.3
224.20102	4.0
290.21069	0.6
314.21130	1.1
328.22644	3.3
330.24258	17.3
331.24677	1.2
346.23782	0.9
347.09534	0.5
347.24432	0.4
348.25308	40.8
349.25592	3.6
351.10757	1.2
369.11847	1.0
372.25510	0.3
373.45020	0.3
390.26358	0.9
428.13141	0.3
510.31046	2.0
554.22162	0.5
698.36121	0.5
716.36377	100.0
717.36774	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.4
56.05034	6.3
57.03440	0.7
57.05816	0.6
58.06594	1.0
60.04519	1.5
60.05643	0.8
62.63535	0.4
68.60418	0.4
69.03430	0.5
69.07068	4.2
69.34797	1.0
69.35204	1.4
70.06593	41.4
71.04979	0.9
71.06919	0.8
72.08157	29.4
73.08493	0.8
74.06080	42.3
75.05601	0.7
77.33063	0.4
84.04519	2.6
84.08147	3.6
85.02911	1.2
85.07644	0.8
86.09706	55.3
87.10062	1.2
88.04006	0.5
88.07625	0.8
95.06115	0.9
96.55656	0.4
97.02913	0.7
97.07652	1.0
101.07143	4.0
102.05535	0.4
105.06625	0.6
110.07169	1.0
110.09753	0.4
112.07956	0.8
112.08723	11.4
112.09455	0.7
112.11267	0.7
113.07149	2.5
114.09169	17.4
115.08702	6.7
115.09464	0.3
116.07130	0.6
120.08114	1.1
124.11209	0.7
127.03970	0.7
127.08715	0.5
128.10745	0.7
129.10248	2.7
134.04523	1.1
136.07558	0.5
137.06000	1.8
138.09081	0.7
139.08696	0.5
140.08226	0.7
141.10265	1.8
141.13921	0.5
142.08649	6.6
142.12302	1.6
143.11819	2.5
145.05017	0.6
150.10274	0.7
152.07077	0.5
153.05490	0.4
157.09679	0.6
157.10893	1.3
159.11212	0.6
160.89009	0.5
163.03917	2.8
166.08629	0.6
166.09839	1.0
168.11391	1.6
169.09688	0.5
169.13393	2.0
171.11397	0.8
177.05479	0.8
183.11319	0.5
183.12514	4.5
183.14948	0.7
185.12866	0.5
186.12442	0.9
187.10860	3.2
187.14413	19.5
192.15002	0.9
197.12921	1.5
198.08759	0.5
199.10844	0.8
201.12466	0.6
201.71164	0.5
205.08148	0.8
211.11884	1.1
212.10368	0.5
215.10356	1.1
215.13893	3.8
216.09755	0.9
225.12331	6.0
229.13000	2.0
243.13422	6.9
253.16576	2.7
297.07825	0.5
307.16986	0.4
310.21350	1.0
328.22183	0.5
338.20758	0.8
339.08746	0.5
344.15628	2.8
354.21298	2.1
354.52597	0.4
356.21838	0.9
357.09753	1.0
366.15210	0.4
430.19339	0.5
457.24387	0.6
511.25385	0.5
512.25116	0.5
512.31934	2.7
529.26453	1.6
546.01984	0.5
555.36328	1.1
566.33228	0.7
583.35120	2.4
672.36633	0.9
698.38586	0.7
716.39349	100.0
717.39716	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
57.07076	32.2
59.05014	1.6
59.49916	1.4
67.05496	5.0
69.07072	5.8
70.44374	2.9
71.08633	29.7
73.06551	9.3
81.07059	5.1
83.05009	1.8
83.08628	5.8
85.10184	16.7
87.04466	10.3
89.06032	100.0
90.06387	1.9
91.05467	1.8
95.08631	3.5
96.80088	1.3
97.10165	4.0
107.07116	2.4
109.10186	1.8
113.13263	2.7
117.09138	8.2
121.10149	1.3
127.14777	1.9
130.08669	2.5
131.07024	2.9
133.08604	50.4
161.11748	2.1
177.11235	21.0
197.22646	2.3
202.75803	1.4
221.13898	1.9
285.27948	5.0
329.30450	3.3
458.99719	1.4
503.30484	1.9
575.49829	5.2
699.52631	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	717.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63071	0.4
56.96563	0.5
70.85457	0.7
70.85789	0.5
75.55138	0.4
80.64800	0.3
81.07095	0.4
83.34574	0.4
84.00529	0.4
98.97575	0.8
101.92419	0.4
110.97577	0.4
131.00169	0.5
135.07048	0.4
142.71658	0.4
149.01237	0.9
158.99742	0.5
174.72594	0.5
177.00772	0.4
179.28299	0.4
189.00858	0.5
281.33109	0.4
293.05338	0.5
321.05188	1.2
365.14481	0.4
455.10678	0.8
575.10352	0.4
717.34540	100.0
718.34869	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87328	0.4
53.03948	0.8
55.01867	0.4
55.05519	1.7
57.03436	2.2
59.04995	0.4
61.02929	7.9
65.03944	0.6
67.05508	7.6
69.03430	4.5
69.07079	1.2
71.01367	0.9
71.05005	0.5
73.02924	4.6
79.05489	3.6
81.03429	1.7
81.07060	5.9
83.04993	0.4
83.08637	0.7
85.02916	5.8
88.99190	0.3
91.03963	3.4
91.05476	2.6
93.07043	4.3
95.04936	0.4
95.08614	3.6
97.02907	6.2
99.04491	1.3
101.02383	2.3
105.07073	0.8
107.08572	2.0
109.02896	0.8
109.10157	5.7
115.03920	0.4
115.63977	0.4
117.07047	0.6
119.08596	1.3
121.10147	1.9
123.11687	0.4
127.03909	1.6
131.08603	0.8
133.10139	0.6
135.11708	0.5
145.04974	0.5
145.10135	0.4
149.13266	0.6
173.11809	1.0
173.57544	0.3
185.04373	0.5
185.87445	0.3
200.12880	0.8
222.11137	0.6
243.08328	1.7
261.22385	0.4
335.25876	0.8
377.67307	0.3
413.17905	2.4
440.18817	2.8
519.29248	9.7
520.29645	0.9
691.40198	0.8
718.41357	100.0
719.41595	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	718.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.71033	0.3
55.05512	1.2
57.03450	1.7
59.04990	0.6
59.42006	0.3
61.02932	5.2
62.08669	0.3
67.05509	9.0
69.03427	2.8
69.07085	0.8
71.01366	0.6
71.04995	0.5
71.30439	0.3
73.02927	4.5
79.05499	1.7
81.03425	1.2
81.07058	4.1
83.08619	0.8
85.02908	4.7
86.09713	0.4
87.04475	0.5
91.03964	3.1
91.05504	1.2
93.07058	2.2
95.08610	2.8
97.02902	5.2
99.04498	0.9
100.21776	0.4
101.02397	2.0
103.03943	0.5
105.07064	0.9
107.08626	1.1
109.02875	0.5
109.10159	8.9
115.03989	0.4
117.10281	0.3
119.08596	0.7
121.10170	0.9
127.03966	1.1
128.94147	0.3
135.11705	0.7
137.09570	0.4
155.10513	0.4
173.11798	1.5
185.04222	0.6
186.59024	0.3
200.12933	1.3
203.05548	0.4
222.11067	0.7
222.65471	0.3
242.23199	0.3
243.08420	2.3
256.15530	0.9
282.97601	0.3
368.33871	0.3
413.17844	5.0
440.18942	6.6
484.24820	0.4
519.29370	4.7
520.30139	0.6
691.40015	0.5
718.41364	100.0
719.41650	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
57.07074	31.3
58.07383	0.5
59.04988	1.1
67.05505	1.0
69.07057	2.1
70.06576	0.5
71.08631	24.9
72.35393	0.4
73.06554	9.4
73.21108	0.4
81.07072	0.8
83.08604	2.7
85.10178	21.7
87.04465	10.4
89.06026	100.0
90.06380	1.2
91.05461	0.6
91.07568	0.6
93.07029	0.8
95.08609	0.7
97.10150	3.6
99.11723	3.4
107.07061	3.0
111.11674	0.6
113.13301	1.6
117.09118	9.6
119.34190	0.4
123.80469	0.4
125.09637	0.5
130.08638	1.8
131.07031	3.0
133.08594	49.1
134.08961	1.0
135.10187	1.2
155.17960	4.7
161.11702	1.9
175.09660	1.7
177.11211	20.3
178.11531	1.0
179.12827	0.5
184.07411	0.9
199.20580	4.5
200.21121	0.5
221.13828	3.9
223.15417	0.6
239.15028	0.7
243.23195	6.6
244.23540	0.5
248.31387	0.5
265.16647	0.6
266.08914	0.5
283.17407	1.0
287.25784	3.9
309.19162	0.5
327.20245	0.5
520.87720	0.6
547.33246	0.9
701.50146	1.8
718.52423	1.5
718.64203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34871	1.3
65.79214	1.3
67.05508	2.3
71.30607	1.5
81.07043	1.7
89.81490	1.4
109.10204	1.3
149.87701	1.3
167.91646	1.3
168.07336	1.6
248.44048	1.6
265.99710	1.7
321.67899	1.4
409.03244	1.6
719.36145	100.0
720.36707	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	719.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72921	0.8
67.05515	0.9
68.73761	0.7
71.30302	1.0
84.71866	0.7
104.91945	0.7
113.59875	0.7
124.79690	0.7
184.07446	1.3
421.48386	0.8
719.36096	100.0
720.36487	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44821	0.9
53.03939	1.0
55.05524	1.0
57.03434	2.0
61.02932	5.6
67.05503	4.3
69.03433	2.3
69.07056	1.4
69.08995	5.7
73.02915	4.6
76.60108	0.6
79.05495	3.3
81.03429	1.6
81.07058	5.1
85.02898	4.4
86.02989	0.6
91.03962	3.8
91.05482	2.2
92.56071	0.7
93.07060	3.3
95.08620	3.6
97.02889	4.8
99.04456	0.7
101.02393	2.2
105.07066	3.0
107.08624	1.7
109.10167	1.1
119.08575	1.3
121.10189	1.0
127.03991	1.0
133.10100	0.8
147.11723	1.8
150.82274	0.7
185.04274	0.8
243.08521	2.1
253.35825	0.8
405.21118	1.2
406.21582	1.0
441.21002	5.0
492.28854	1.2
519.28973	5.4
719.43457	100.0
720.43695	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
62.23424	4.0
63.81673	4.1
67.05514	40.2
69.07077	10.9
71.29715	4.2
72.47723	3.4
79.05504	15.7
81.07054	42.5
83.08600	4.7
89.65298	5.0
90.74955	3.6
91.05496	7.2
93.07059	13.7
95.08607	29.0
105.07041	9.0
107.08549	4.8
109.10188	4.7
120.21801	3.7
120.96642	29.7
133.10054	4.2
153.26277	4.1
193.89871	4.0
223.19505	4.2
251.68874	4.5
292.19208	4.0
315.98911	3.9
370.24069	4.2
599.50604	36.8
621.48499	100.0
622.48804	12.8
719.45648	15.9
720.53217	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	721.21
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54875	2.9
65.83312	3.3
69.09476	17.6
69.09881	7.3
69.71036	3.6
69.71391	3.0
70.06583	11.3
77.06922	3.1
78.53193	3.7
84.08127	6.6
86.09721	3.6
177.12250	3.0
189.84904	3.0
263.91116	3.2
354.76324	3.6
366.83167	3.4
549.93536	3.6
721.21021	100.0
722.21112	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	722.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.9
55.57533	2.5
57.03436	6.0
61.02924	20.6
65.03934	3.2
67.05176	3.8
67.05505	38.3
69.03417	3.1
69.07063	3.3
69.32948	17.9
71.05006	3.5
71.08614	2.4
73.02912	6.9
79.05045	3.8
79.05483	24.2
81.07056	51.8
83.08628	6.5
83.79014	3.1
85.02904	32.2
85.06535	3.9
86.09679	3.7
91.03954	21.2
91.05468	18.2
93.07044	30.4
95.04938	3.2
95.08604	42.5
97.02892	17.1
97.10164	4.3
98.22634	4.4
105.07034	11.9
107.08592	21.0
109.10148	30.6
110.24538	2.3
115.03858	3.2
117.07014	5.4
119.08573	9.1
121.10126	19.1
123.08068	3.0
123.11735	14.7
127.03903	11.4
129.10315	3.4
131.08557	14.3
133.10143	12.1
135.11665	20.8
137.09512	2.7
137.13293	6.1
145.04982	21.2
145.10107	10.7
147.11644	10.6
149.13274	15.3
159.11671	11.0
161.13219	6.4
163.06046	20.7
163.14815	11.3
165.12762	3.3
173.13301	14.0
175.14861	4.0
177.16422	6.0
179.14313	4.1
181.84630	2.8
184.07445	5.2
187.14760	3.8
189.56160	2.4
191.14412	3.7
192.82297	2.6
243.21077	37.9
261.22119	100.0
262.22424	8.2
279.23123	4.9
335.25748	29.9
336.25912	3.7
353.26846	51.7
354.27090	5.0
534.81012	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.4
57.03434	2.7
57.07078	2.8
61.02932	15.2
65.49264	2.1
67.05506	29.3
69.07092	5.3
69.11488	15.1
70.06596	2.2
71.05022	2.4
73.02939	6.1
79.05495	19.8
81.07056	38.3
83.08599	2.8
85.02889	20.7
91.03955	19.7
91.05499	9.1
93.07046	26.9
95.04977	3.1
95.08603	25.9
97.02885	12.4
97.10172	3.4
105.07059	7.0
107.08585	20.6
109.10172	15.2
115.03935	2.0
117.06996	3.3
119.08581	10.0
121.10144	18.2
123.11695	14.7
126.54299	2.4
127.03909	11.5
131.08580	10.3
133.10138	8.6
135.11710	15.5
137.13275	4.3
145.05038	10.8
145.10161	9.0
147.11728	8.8
149.13235	13.9
155.22212	2.4
159.11746	10.2
161.13295	6.5
163.06006	17.5
163.14842	10.4
165.12773	3.1
173.13289	11.3
177.16403	5.1
187.14851	6.0
233.22731	2.5
243.21120	30.3
261.22134	100.0
262.22498	6.1
279.23117	2.6
302.19891	2.4
335.25803	15.7
353.26852	52.0
354.27283	4.9
384.12775	2.6
619.22565	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	722.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37160	2.0
53.03938	2.9
55.05506	13.5
57.03433	5.4
57.07059	5.3
61.02927	26.6
65.03944	3.9
67.05129	3.5
67.05502	64.0
69.07063	13.3
71.04981	3.3
73.02911	7.7
79.05489	30.1
80.24075	2.3
81.07052	75.2
83.08607	8.6
85.02902	25.6
86.09695	3.2
91.03955	25.3
91.05472	13.5
93.07043	46.7
95.08607	60.4
97.02892	9.2
97.06516	2.2
97.10167	3.3
105.07041	14.3
107.08596	31.1
109.10148	36.4
111.11781	2.6
117.06993	4.6
119.08579	13.8
121.10134	30.9
123.11700	18.1
127.03889	7.3
131.08569	13.3
133.10121	15.1
135.11696	26.6
137.13272	5.1
145.04945	12.3
145.10117	8.5
147.11693	6.5
149.13251	17.3
151.14757	3.0
159.11714	10.4
161.13255	2.7
163.06013	21.5
163.14799	10.8
173.13232	6.6
175.14790	4.8
177.16278	4.7
184.07288	4.8
187.14787	5.9
189.16425	4.7
191.17889	2.5
215.18103	3.1
233.18895	3.3
261.25790	4.5
267.19751	2.4
271.24234	12.5
289.25247	100.0
290.25623	5.9
291.26984	3.1
307.26297	2.6
363.28857	16.3
381.29971	43.5
382.30292	6.7
399.75534	2.2
437.24765	2.6
543.64038	2.6
641.62488	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07331	0.7
70.22515	1.0
70.22865	1.4
73.21935	0.7
82.18574	0.7
94.92941	3.3
98.22652	1.0
116.15883	0.8
124.73126	0.8
153.49767	0.7
174.61247	0.7
180.09207	0.7
201.01546	1.1
207.29318	0.7
210.61203	0.7
276.64954	0.8
314.88486	1.6
328.71246	1.0
340.86340	1.1
381.05679	1.0
381.46558	1.0
395.91733	0.7
399.04776	16.3
400.05109	0.9
490.90045	2.8
516.87872	4.1
534.88489	9.2
535.88409	2.4
544.84052	0.9
552.88580	1.9
561.10028	100.0
562.10382	9.2
562.84155	0.9
588.82507	1.3
604.28259	0.9
723.15271	46.7
724.15411	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	723.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90717	0.1
53.03945	0.3
55.01863	0.1
55.05510	0.2
57.03440	0.6
61.02909	0.1
61.25721	0.1
67.01859	0.5
67.05487	0.1
68.99805	0.4
69.02228	0.8
69.03428	0.8
70.06593	1.2
71.01357	0.2
71.04993	3.3
72.08156	0.9
73.02910	0.2
75.04482	0.2
81.03421	1.0
81.07058	0.1
83.04997	0.9
84.04493	0.2
84.08145	0.5
85.02905	6.8
86.03221	0.2
86.09702	0.6
87.04485	0.1
91.05453	0.6
93.07027	0.1
95.04984	0.2
97.02892	1.3
97.06526	0.1
99.04459	1.4
101.07129	0.1
103.03943	1.7
107.04967	0.2
109.02879	1.6
110.07176	0.1
111.00783	0.1
111.04452	0.9
115.55347	0.1
119.04934	1.5
119.08546	0.1
120.08109	0.4
121.02862	0.9
121.08385	0.1
123.04442	0.1
127.03918	4.2
128.04289	0.2
128.10751	0.1
129.01807	0.1
129.05475	1.7
129.10257	0.2
135.04366	0.1
136.07602	0.2
137.05969	0.1
139.03830	0.1
145.02834	0.9
145.04956	2.0
145.06119	0.2
147.04408	0.1
147.06505	0.6
151.03908	0.1
153.01828	4.7
154.02197	0.1
163.03932	0.6
163.06065	0.6
167.06975	0.2
169.05066	0.4
169.06317	0.1
171.02867	0.8
177.05489	0.2
180.10201	0.1
187.04131	0.1
187.06023	0.6
191.06917	0.1
193.05035	0.1
195.06450	0.1
197.06020	0.1
203.07051	0.3
205.07059	0.2
207.06602	0.1
209.08109	0.1
225.05444	0.3
229.04910	0.3
229.07097	0.2
237.07655	0.4
243.06577	0.3
247.05991	0.2
247.08275	0.1
253.07123	0.2
255.08577	0.4
271.05997	100.0
272.06345	6.9
272.08661	0.1
273.09677	0.2
289.09262	0.3
290.10083	0.1
291.10950	0.1
295.06033	0.1
307.10364	0.1
311.16971	0.1
313.06955	0.5
337.06815	0.1
357.73691	0.1
417.13821	0.1
440.65878	0.1
444.71439	0.1
476.09134	0.1
506.32602	0.1
559.13879	0.2
561.28406	0.1
577.15497	1.7
578.15814	0.2
722.44165	0.1
723.21082	0.5
723.35089	0.5
724.33893	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	724.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01866	1.1
55.05502	2.8
56.05028	2.5
57.03440	2.2
60.04523	2.0
61.01141	1.5
61.02918	1.8
67.05506	1.1
69.03420	7.9
69.07060	1.5
69.53671	1.3
69.54079	3.1
70.02945	1.4
70.06593	30.4
71.04988	2.6
71.06926	1.3
72.08155	23.2
73.02914	2.1
73.08485	2.4
74.06096	0.9
74.17815	0.6
79.05510	1.8
80.73047	0.8
81.03416	9.6
81.07045	1.8
83.01299	0.9
83.04975	2.5
84.04515	5.3
84.08140	8.6
85.02903	34.8
86.03226	1.3
86.09702	8.7
87.05589	3.2
88.03983	2.4
91.05464	3.7
91.61740	0.7
92.82922	0.7
93.07047	3.3
95.04951	1.8
95.08607	1.2
97.02888	17.1
97.06546	1.3
98.02420	1.2
99.04455	21.1
101.07146	1.4
102.00636	0.7
102.05513	3.7
103.03941	42.0
103.05403	1.2
104.05303	3.8
105.07016	8.2
107.04951	1.4
107.08589	2.8
109.02882	9.8
109.06516	1.6
109.10156	0.9
110.07156	3.2
115.05044	1.2
116.07086	1.0
117.06999	2.0
119.04974	1.0
119.08585	8.4
120.08104	19.4
120.08921	1.8
121.06512	3.3
121.08416	4.8
121.10191	3.6
123.11739	1.0
124.02171	0.9
125.05973	0.8
125.15449	0.7
126.05494	0.9
127.03916	53.8
127.08662	2.0
128.04248	1.7
129.06735	1.2
129.10214	5.2
130.04921	1.1
130.08667	0.8
131.08560	2.0
133.06474	2.5
133.10123	8.9
134.04474	1.5
135.04422	2.9
135.08044	2.1
135.11665	1.5
136.07590	2.4
137.05981	2.0
137.09590	2.7
141.10272	1.0
142.07793	2.7
143.08311	1.1
145.04962	29.8
145.10089	5.2
145.21437	0.8
146.07227	1.0
147.08063	7.3
147.11717	7.9
149.05991	4.8
149.09601	3.6
151.11267	1.2
153.06564	0.7
155.08264	1.2
157.06107	2.0
157.10129	7.4
157.82532	0.8
159.08046	5.2
160.08835	4.7
161.05980	9.0
161.09637	6.1
162.10292	1.2
163.04659	1.7
163.06023	32.7
163.07353	1.6
163.11171	5.5
164.06409	1.0
165.09114	17.5
166.09573	0.9
171.11316	1.0
171.14925	4.5
172.15323	1.8
173.09552	1.7
175.11188	15.5
177.09021	1.3
178.09869	1.0
179.07027	2.7
179.10655	1.8
181.06064	1.1
181.09827	1.1
183.11337	0.7
185.09584	3.3
187.05937	3.6
188.08371	2.0
191.10632	7.4
193.12236	41.8
194.12599	1.9
199.10797	0.8
199.14415	4.6
200.10437	0.8
200.14780	1.6
202.08270	2.0
203.10626	9.4
204.10973	1.0
205.07089	2.7
209.11720	7.4
221.11705	42.3
222.12128	2.1
235.10680	0.8
239.12778	100.0
240.13095	4.3
244.16687	1.4
245.07681	3.4
246.07956	1.7
253.07021	1.1
264.70892	0.8
271.08063	5.4
289.09189	6.2
307.10190	14.8
325.72214	1.0
392.14410	1.5
393.14499	1.5
461.23376	0.8
462.23993	1.3
507.75662	0.9
509.20123	1.4
526.18488	1.5
527.21350	1.3
534.96423	0.9
545.21826	1.9
724.41638	2.2
749.04169	0.9
751.57513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27041	0.6
53.03947	4.5
55.01872	1.1
55.05516	0.9
56.05031	1.0
57.03437	2.3
61.02920	2.8
67.05518	0.8
69.02465	0.6
69.03435	10.8
69.03790	0.5
69.63815	3.4
70.06594	14.4
71.05001	3.6
71.06909	0.9
72.08154	4.6
72.14423	0.6
73.02915	4.3
78.55958	0.7
79.05502	0.8
81.03419	12.1
83.01367	0.8
83.04980	1.1
84.04499	1.9
84.08147	5.5
85.02905	61.9
86.03233	0.9
86.09703	4.7
87.04472	0.9
87.05573	0.8
91.03938	1.1
91.05467	2.2
93.07044	2.1
97.02895	34.9
97.36895	0.8
99.04455	38.9
102.05505	1.0
103.03941	79.3
104.04233	0.9
105.07027	3.0
107.08575	0.9
109.02879	18.3
110.07171	2.2
111.04434	1.1
111.08105	0.8
115.03942	1.3
115.08685	1.0
119.08596	3.4
119.10079	0.6
120.08097	1.8
121.08425	0.7
121.10137	2.6
123.11671	1.0
127.03915	100.0
127.08688	0.9
128.04242	3.1
128.10687	0.6
129.06633	0.7
129.10236	3.8
133.10143	8.6
135.04390	0.9
135.11703	1.9
136.07545	2.4
137.09590	0.9
141.10251	0.9
143.11853	1.3
145.04959	63.5
145.10083	1.8
146.05257	1.3
147.08061	2.6
147.11673	3.6
149.09613	1.8
151.11189	1.0
157.10091	1.2
159.07954	1.0
159.09146	0.9
160.08881	1.2
161.09541	3.3
163.06020	57.6
163.11163	3.5
164.06311	1.7
169.04910	1.5
171.11267	1.4
173.09694	0.6
175.11208	4.1
187.06006	5.4
193.12202	3.2
201.12215	0.8
203.10719	2.5
205.07103	3.3
221.11728	4.8
239.12784	35.2
240.13176	2.0
242.14864	0.8
253.07033	1.5
271.08136	13.1
272.08295	0.9
289.09164	16.0
307.10208	17.7
308.10522	1.1
340.27228	0.6
648.32483	0.8
724.32538	1.1
740.27448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.4
55.15198	3.9
57.07076	10.5
61.02940	18.7
67.05509	32.7
69.07076	15.3
73.02938	8.9
79.05498	18.1
81.07066	54.7
83.08617	12.1
85.02921	24.2
91.03951	13.4
91.05498	6.1
91.88166	4.2
93.07052	11.8
94.84435	4.3
95.08618	44.6
97.02920	9.4
97.06589	5.0
97.10171	7.0
105.07020	3.9
107.08593	10.0
109.10146	21.6
111.11784	3.2
119.08600	6.1
121.10150	14.7
123.11724	15.3
127.03883	7.4
133.10138	9.4
135.11688	10.0
145.05028	16.5
147.11713	6.6
149.13249	6.6
151.14856	5.1
155.14380	4.8
161.13229	7.7
163.06001	15.5
163.14821	8.8
164.72002	3.3
165.16379	11.8
175.14908	9.9
179.17943	8.1
189.16438	5.5
228.71574	3.9
245.22670	66.1
246.22990	7.0
263.23737	100.0
281.24707	3.6
337.27408	65.1
338.27689	4.3
355.28546	14.9
473.52756	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	724.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96483	2.3
55.05508	5.8
57.07086	3.4
61.02930	11.8
67.05505	19.3
69.07082	7.9
69.92484	2.6
79.05508	7.3
81.07054	35.6
83.08630	8.3
85.02908	14.9
91.03958	10.4
91.05503	5.9
93.07047	10.7
95.08618	26.6
97.02876	5.6
97.10178	4.1
105.07006	4.6
107.08611	4.2
109.10151	15.1
119.08591	6.2
121.10153	10.2
123.11715	11.8
127.03918	6.3
133.10182	8.0
135.11725	7.6
137.13286	7.4
145.04961	7.6
147.00137	2.6
147.11691	3.8
148.86572	3.4
149.13277	8.0
151.14838	4.1
155.14232	3.5
161.13269	7.4
163.06033	16.1
163.14842	3.8
165.16476	7.8
175.14835	6.3
179.14285	3.0
179.17984	7.2
189.16408	3.0
197.36914	2.7
214.99481	2.9
245.22641	57.7
246.23106	3.2
263.23712	100.0
264.24103	9.6
311.80215	2.6
337.27310	36.5
338.27664	3.1
338.31750	3.2
355.28442	10.8
666.23163	3.0
724.33527	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	726.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
53.54170	2.1
55.01868	2.7
55.05532	2.3
57.03426	2.7
57.19771	2.4
59.51104	2.4
59.82064	2.5
61.02913	6.5
67.05507	6.1
69.03429	23.4
70.06595	18.3
71.04977	5.2
71.14602	4.9
72.08154	7.6
73.02916	5.0
79.05505	5.5
81.03421	19.6
81.07040	2.3
83.04982	4.7
84.04521	3.7
84.08146	4.7
85.02908	72.3
86.09725	5.9
86.51309	2.3
91.05504	8.3
93.07038	13.5
95.04978	4.4
95.08633	4.0
97.02908	35.7
99.04456	46.7
103.03944	83.3
103.05435	4.8
104.04240	4.9
105.07026	11.4
107.04935	4.9
107.08590	10.0
109.02885	23.1
109.06512	10.8
109.10158	10.9
117.07016	2.6
119.08590	8.7
121.02861	8.1
121.06516	11.7
121.10144	7.5
123.08083	4.5
127.03918	100.0
129.10193	3.4
131.08546	5.7
133.10100	3.8
135.08090	4.7
136.07634	2.3
137.09616	74.9
145.04953	66.4
145.10127	4.3
147.08012	3.7
149.05986	33.3
149.09627	7.9
159.11713	8.7
161.09627	4.9
163.06024	71.9
163.11191	7.3
167.10623	2.7
175.11209	8.7
177.12715	3.7
179.10591	2.8
187.06056	6.3
187.11136	4.8
193.12204	4.9
203.03435	2.9
205.07126	4.8
205.12251	58.5
206.12660	3.1
217.05122	3.1
223.13290	73.6
224.13589	2.7
241.14330	23.9
253.07027	2.9
271.08301	11.9
283.05954	3.1
289.09122	16.0
294.05466	2.8
295.06052	21.8
307.06082	9.0
307.10254	36.4
308.06818	3.2
309.07706	3.6
321.07544	11.5
325.07031	10.7
333.07529	6.7
335.09109	4.8
336.49420	2.4
337.07047	8.1
349.07111	11.9
351.08743	4.8
361.07196	7.0
363.08615	6.1
375.08224	3.1
379.07922	13.8
391.08078	10.5
403.08673	2.6
409.09012	12.3
415.08041	3.0
427.10352	19.2
457.10767	3.0
471.72433	2.6
475.11292	3.3
481.11649	4.2
499.12366	3.9
511.12445	15.8
529.13550	13.4
547.14417	11.9
726.43262	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	726.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24638	0.3
58.36274	0.3
60.05663	0.4
62.02229	0.3
68.05038	0.8
70.06594	100.0
71.06910	1.9
72.08157	0.5
82.06587	0.5
85.07687	0.8
86.06077	0.6
86.09707	0.5
91.05457	0.5
93.07042	1.2
95.06099	1.1
97.07656	0.7
98.06057	0.6
99.09232	0.6
103.05458	3.0
110.07161	0.5
112.07943	0.5
112.08733	9.5
113.07127	5.2
114.05502	0.5
114.10322	0.3
115.08694	8.4
116.07092	7.6
120.08108	63.2
121.08435	1.7
124.08725	0.6
125.07091	0.7
140.08249	0.4
140.77669	0.3
146.29707	0.3
147.41379	0.4
151.12325	0.5
166.08711	0.5
167.11806	1.1
185.10359	2.5
192.11342	0.8
193.14534	0.4
194.12921	1.5
195.11330	2.9
209.14052	0.9
212.13930	4.3
213.12346	18.1
214.12724	1.1
217.13431	1.0
237.13458	8.6
237.15706	0.6
238.13805	0.5
244.14543	0.4
254.16089	3.5
255.14540	0.9
261.12463	0.6
272.22217	0.4
352.19980	1.2
356.20877	0.3
359.20950	0.4
380.79688	0.3
384.20544	0.7
449.25217	1.3
466.27676	0.9
486.28424	1.2
514.27600	5.4
532.28510	0.8
606.25323	0.3
629.34045	1.4
726.39264	66.9
727.39502	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	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.05508	16.6
55.36265	1.8
57.03444	13.8
61.02914	6.8
65.03940	2.1
67.05505	69.6
69.02766	4.4
69.03178	15.7
69.07067	27.8
71.04993	2.9
79.05489	41.5
81.06582	4.1
81.07055	77.6
83.04980	4.4
83.08624	15.5
85.02908	3.7
85.06539	2.4
89.07114	2.1
91.05479	27.4
93.07041	56.2
95.04958	4.6
95.08601	38.9
97.02895	3.5
97.06535	6.4
97.10164	2.7
105.07018	15.5
107.08593	31.1
108.08898	2.0
109.10138	12.0
111.08091	3.8
117.07019	7.6
119.08566	6.7
121.10150	18.5
123.11691	7.1
131.08591	11.8
133.10139	13.2
135.11696	14.5
145.10185	4.3
147.11684	4.9
149.13263	13.0
153.27097	1.9
159.11699	10.8
161.13260	4.1
163.14803	2.8
173.13260	3.5
177.12679	4.9
183.78656	2.0
187.14818	2.8
195.13734	14.2
202.81342	2.0
247.27740	2.3
261.22073	12.6
267.15845	2.5
269.14697	4.1
269.17468	70.9
270.17734	2.5
317.24765	3.4
335.25800	100.0
336.26160	6.9
437.34174	2.3
529.38885	96.5
530.39185	12.9
726.44379	3.4
727.45874	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	726.479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45833	1.3
53.03952	3.2
55.05512	11.7
57.03441	11.1
57.07061	1.7
67.05508	61.9
69.07068	19.6
69.30412	8.4
71.04991	3.5
79.05495	38.5
81.07061	65.3
81.37521	1.6
83.04982	3.2
83.08620	10.5
85.02922	3.2
85.06535	3.1
87.39826	1.3
90.93534	1.5
91.05479	17.5
93.06471	3.2
93.07046	53.9
95.04961	5.0
95.08614	32.0
97.02880	2.3
97.06528	6.1
97.10158	2.0
105.04496	2.7
105.07037	11.4
107.08596	27.5
109.10165	11.4
111.08095	4.5
117.07037	8.4
119.08594	7.1
121.10161	20.3
123.11732	3.1
131.08580	9.9
133.10147	8.1
135.11717	9.2
145.10164	3.3
147.11694	3.5
149.13264	20.7
159.11716	10.5
161.13271	2.3
172.50484	1.5
173.13254	2.5
177.12755	4.6
195.13823	8.2
243.20914	1.7
257.81979	1.8
261.22226	9.6
269.17490	50.4
270.17966	3.3
279.96423	1.7
317.24823	1.6
326.45834	1.6
335.21771	3.4
335.25803	54.1
336.26016	4.5
389.73038	1.5
529.38885	100.0
530.39227	12.5
726.44012	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	727.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01865	1.2
55.05495	0.6
56.05045	0.5
63.02374	1.4
63.35608	0.4
65.03944	0.9
67.05494	0.7
69.03445	0.4
69.07046	0.5
70.06595	7.4
71.30048	0.4
72.08154	4.3
79.05495	2.9
81.03411	1.0
83.08602	0.4
84.04494	0.6
84.08139	1.6
85.02897	1.3
86.03203	0.4
86.09706	12.6
87.05579	0.5
89.03917	17.7
90.04266	0.5
90.82982	0.4
91.05464	1.0
95.04955	1.0
97.02889	0.9
99.04493	0.5
100.11283	0.5
102.38253	0.5
103.03960	0.9
105.07035	0.8
107.04953	5.2
109.02872	1.0
110.07198	0.5
111.04456	0.6
115.05443	0.5
117.03381	16.9
119.04915	2.4
119.08548	0.7
120.08080	1.6
121.02873	11.9
122.90839	0.4
127.03898	0.7
128.10718	0.7
129.10234	1.0
131.04913	0.5
133.02776	0.4
135.04416	38.2
136.04735	1.2
136.07564	0.7
138.09087	0.6
141.10280	0.6
145.02847	22.1
145.06677	0.5
146.03183	1.0
147.04399	1.4
151.03915	0.4
159.04443	0.6
159.11807	0.4
161.02289	0.8
163.03903	100.0
164.04247	3.4
166.08719	0.4
171.04457	0.5
175.03935	1.1
177.01869	0.7
177.05493	1.5
179.03448	1.1
181.04988	0.6
183.04419	0.5
183.11287	1.1
185.16550	0.6
187.03932	1.2
189.01849	2.4
189.05460	0.5
189.12592	0.6
190.02446	0.5
191.03415	1.4
195.02893	1.8
199.03949	0.7
200.13887	1.1
201.05444	0.6
203.03406	5.2
205.05043	0.9
206.12657	0.5
207.02916	1.7
207.06569	0.7
207.13792	0.8
211.10730	0.6
213.16101	0.7
215.03386	1.7
217.04964	1.7
219.02864	1.3
221.04514	1.9
227.03354	0.8
228.13397	4.1
229.05006	0.9
231.02864	0.9
233.04402	0.7
243.02821	0.9
245.04597	0.6
253.04854	0.5
255.02902	1.0
261.03992	0.5
263.07034	0.5
265.06888	0.9
267.06586	0.7
268.07394	1.1
273.03925	0.5
279.06500	1.6
280.07336	0.9
281.07974	1.7
283.05960	2.7
284.06812	1.1
291.06546	0.7
292.07236	1.0
293.08206	0.9
294.05194	5.2
295.06012	16.8
296.06592	2.3
297.07562	2.7
305.08212	0.7
306.08875	0.8
307.06039	12.5
307.09314	0.7
308.06647	4.9
309.07480	4.7
310.07889	0.4
313.07059	1.3
317.08179	1.5
319.05862	1.4
319.09512	0.5
320.06738	2.0
321.07541	9.7
322.08115	2.2
323.08997	1.1
325.07028	16.6
326.07379	1.0
327.20432	0.4
329.07932	0.9
333.07553	4.7
334.08270	1.6
335.05466	0.9
335.09106	4.7
336.06070	1.0
336.09558	0.7
337.07047	15.8
338.07474	1.0
339.08649	1.4
341.21716	1.5
345.07626	3.3
346.08362	0.6
347.05402	0.5
347.09119	1.6
349.02811	0.7
349.07059	12.5
349.11179	0.8
350.07455	1.4
351.08630	6.0
352.08902	0.5
353.06161	0.4
355.08081	5.4
359.09125	0.7
361.07025	5.7
361.10938	0.6
362.07587	0.9
363.08676	7.0
367.08115	2.2
371.08942	0.6
373.07010	3.2
375.08676	2.5
377.06412	0.6
379.08124	16.5
379.13016	0.8
380.08395	1.7
385.08759	1.0
387.08392	1.9
391.08093	16.6
392.08380	2.0
401.10239	1.0
403.08032	2.5
404.08368	0.6
405.09528	0.7
409.09171	19.9
410.09628	2.3
415.08029	1.8
417.09570	0.7
421.09140	1.6
426.27197	0.7
427.10294	27.8
428.10529	2.9
429.09451	0.8
433.09158	2.9
439.10248	0.9
440.28458	1.2
445.09192	1.8
451.10269	0.6
457.11044	4.0
463.10275	1.7
475.11038	2.6
481.11224	4.9
493.11230	3.0
499.12164	2.0
511.12357	13.6
512.12506	1.6
522.33093	0.4
529.13513	5.0
539.35474	1.0
547.14471	8.1
548.14722	1.0
553.11017	0.5
571.12390	1.4
589.13379	11.0
590.13568	1.6
601.12793	0.5
607.13708	0.9
619.14282	1.3
625.13123	0.6
627.14160	0.5
637.14563	1.2
643.14441	5.2
644.14697	0.7
655.14197	1.7
661.14966	1.4
661.25061	0.5
673.15552	4.8
674.16125	0.5
691.17047	3.1
709.17688	0.8
727.35431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84877	0.2
53.03945	0.4
55.01867	0.6
55.05510	0.3
56.05028	0.3
57.03431	0.2
61.02925	0.3
63.02375	0.7
69.03415	0.8
69.07051	0.6
70.06592	11.2
71.94457	0.2
72.08156	3.6
73.02921	0.3
74.06060	0.4
79.05492	1.3
81.03419	0.4
81.07039	0.2
83.04974	0.3
84.04517	1.5
84.08149	1.4
84.52156	0.2
85.02908	2.0
86.09704	7.6
87.10049	0.2
89.03910	8.6
91.05471	0.6
95.04971	0.5
97.02880	1.2
99.04433	0.5
102.05540	0.9
103.03932	1.0
105.03361	0.3
107.04948	2.5
109.02877	0.6
110.07181	0.6
110.09670	0.5
111.04443	0.3
117.03380	9.7
119.04916	1.2
120.08075	1.1
121.02872	4.6
121.08464	0.3
123.04385	0.6
127.03890	1.8
128.04228	0.4
129.10214	2.4
130.04980	1.3
131.04926	0.7
133.10162	0.3
135.04410	19.1
136.04797	0.7
136.07532	1.0
137.02361	0.5
143.05032	0.3
145.02844	14.4
145.04921	1.0
146.03162	0.6
147.04446	0.8
147.07639	1.9
150.62753	0.3
153.10185	0.3
155.08156	0.7
157.09702	0.5
159.04442	0.6
159.11661	0.4
163.03897	100.0
164.04222	3.7
166.08557	0.5
169.13374	1.1
171.11302	0.4
172.03970	0.3
173.05878	0.4
175.03969	0.5
177.01828	0.4
183.14949	2.1
185.05995	0.3
187.03967	0.8
189.01855	1.3
189.05415	0.4
190.05058	0.3
191.03358	1.2
195.02893	0.7
197.12819	0.9
197.16478	0.3
199.03787	0.3
201.01836	0.4
201.05342	0.3
203.03404	1.3
204.06531	1.2
205.05006	0.7
205.12267	0.9
206.12585	0.4
207.02911	1.2
207.06473	0.4
211.14438	1.0
213.05457	0.4
215.03467	0.7
215.13904	0.5
217.04976	0.6
219.02878	0.8
221.04492	0.4
223.13272	0.5
224.13455	0.4
229.05013	0.7
233.04477	0.5
239.07088	0.4
241.04985	0.4
247.06023	0.5
260.16208	0.5
268.07101	0.4
270.18082	0.6
273.03745	0.3
279.06439	0.5
281.08038	0.8
283.06036	3.6
284.06509	0.4
292.07300	0.3
293.08145	0.7
294.05225	2.7
295.06033	6.6
295.09366	0.4
296.06573	0.7
297.07544	1.1
300.19144	1.2
305.08057	0.4
307.05768	5.9
308.06720	2.6
309.07480	3.1
311.09000	0.3
313.07040	3.7
319.06146	1.3
320.06808	0.9
321.07584	4.2
322.08264	0.9
323.05533	0.4
323.09027	0.6
325.06567	2.7
325.09186	6.0
326.07227	0.3
326.09842	0.4
329.07773	0.5
333.07529	2.7
334.08221	0.7
335.05682	0.5
335.09088	2.1
336.06198	0.5
337.02948	0.5
337.07025	10.3
338.07468	0.4
339.08978	0.6
345.07507	1.6
346.07980	0.3
347.09262	0.6
349.07120	5.2
350.07437	0.5
351.08618	2.6
355.08163	1.7
357.14468	0.4
357.21335	3.7
361.06998	3.2
363.08533	2.2
367.08093	3.1
371.22696	0.7
373.07080	1.3
375.08731	0.7
379.08078	6.0
380.08337	0.6
385.09247	1.3
387.08490	0.6
391.08063	6.7
392.08258	0.4
403.08136	0.9
409.09177	3.9
415.08185	0.5
421.09192	0.9
427.10342	3.4
433.09186	0.9
439.10229	0.6
441.09619	0.6
445.10764	0.5
457.11127	1.5
458.25714	0.9
463.10156	0.7
469.09137	0.4
475.12415	2.2
476.12524	0.4
481.11163	1.8
487.10349	1.4
493.11188	0.9
499.11832	1.8
507.10745	0.4
511.12354	2.7
517.11224	1.3
529.13251	3.0
530.14050	0.3
541.11328	2.9
547.14465	2.7
548.14722	0.5
553.11011	0.9
571.12347	4.6
572.12524	0.5
589.13312	2.1
607.14386	5.1
608.14966	0.5
619.14160	0.6
637.15796	2.3
638.15509	0.4
661.15564	5.6
662.15857	0.8
673.14880	0.8
684.39014	0.3
691.16589	3.2
692.16504	0.4
709.17133	1.0
727.32690	0.3
727.44257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
52.71151	0.5
53.03946	1.0
55.01893	0.4
55.05492	0.5
55.90414	0.4
58.83308	0.4
60.10438	0.4
63.02380	0.7
65.03938	0.5
69.03423	1.7
70.06590	6.0
70.45370	0.9
70.45699	0.8
72.08148	2.9
73.02903	0.5
79.05495	2.3
80.79922	0.4
81.03410	0.8
84.08131	1.8
85.02901	1.8
86.09688	3.2
89.03918	12.9
91.05476	0.6
95.04964	1.1
97.02887	2.9
98.74373	0.5
103.03931	0.8
107.04948	3.2
110.07137	0.9
115.03926	2.0
115.05475	0.6
117.03373	13.0
119.04940	1.3
120.08093	1.3
121.02874	8.3
121.03859	0.7
123.04442	1.2
127.03916	1.0
127.08680	0.8
129.10251	0.7
131.04932	1.5
135.04411	25.3
136.04782	0.9
142.79970	0.5
143.04985	0.9
145.02844	18.4
146.03154	0.5
147.04390	1.4
149.06078	0.8
155.08167	0.8
159.04463	1.3
163.03900	100.0
164.04250	3.5
169.13258	0.6
175.03868	1.2
177.01791	0.6
177.05441	0.7
179.03392	0.6
185.05923	1.0
187.03880	4.8
189.01845	1.6
191.03374	1.9
195.02890	0.9
201.01762	0.7
203.03401	1.8
205.04901	1.1
207.02905	1.6
207.06528	1.3
213.05441	0.6
215.03523	0.6
217.04927	2.3
219.02847	1.5
221.04419	0.5
227.03362	0.6
227.07045	0.5
241.05017	0.6
243.02878	0.6
259.05978	0.9
267.06445	0.7
268.07431	0.6
269.08087	0.5
271.06186	0.5
277.04480	0.7
277.07050	4.5
279.06339	1.1
281.08051	1.7
283.06079	3.7
284.06799	2.1
291.06375	0.6
294.05142	4.1
295.05939	8.4
295.08289	6.5
296.06396	0.9
297.07501	1.6
305.07977	0.5
307.06000	12.9
308.06696	5.5
309.04230	0.8
309.07541	6.5
310.08133	1.1
311.05551	0.5
313.07037	8.9
314.07184	0.7
317.08215	0.6
319.05911	1.5
320.06870	0.9
321.07523	6.7
322.08353	1.1
323.05472	0.8
323.08896	1.1
325.07047	9.6
326.07635	0.8
332.06979	0.5
333.07681	2.9
334.08081	0.6
335.05475	1.0
335.09103	1.7
336.06055	1.2
337.07037	22.7
338.07394	1.8
339.08765	1.2
345.07703	0.9
347.09204	3.2
349.07071	7.1
350.07532	1.5
351.08420	3.3
355.08118	3.3
361.07059	4.5
363.08704	2.8
365.06580	0.6
367.08206	3.5
373.07031	1.4
375.08780	2.2
377.06961	0.6
379.08044	10.0
380.08493	0.9
387.08420	0.7
391.08112	7.5
392.08539	0.6
397.09106	1.5
403.07953	2.3
407.08087	0.6
409.09149	6.8
410.09616	0.6
415.10339	7.1
417.10425	0.6
421.08804	2.9
425.09842	0.7
427.10248	9.0
428.10275	1.3
429.09692	0.8
433.11392	6.8
434.11572	0.7
439.10275	2.9
441.09674	1.2
445.11423	3.9
451.10165	0.7
453.09653	1.6
457.11322	14.3
458.11624	1.4
463.10315	1.2
469.09482	0.7
471.10672	3.7
475.12338	6.3
476.12207	0.6
481.10889	5.6
482.10013	0.6
487.09991	0.6
493.10974	1.7
495.10434	1.0
499.10904	6.3
500.10291	0.7
509.12143	0.7
511.12292	7.0
512.12408	0.6
517.11340	5.2
523.10199	2.0
529.13428	5.9
541.11163	0.8
547.14520	6.9
548.14142	0.5
553.10846	0.8
565.11945	1.4
573.13806	0.8
583.12030	2.4
589.13074	2.4
601.13306	6.3
602.13770	0.7
607.14484	13.1
608.14746	1.7
613.12781	0.6
619.14386	4.0
631.14349	0.6
637.15375	3.1
673.15338	1.4
691.16351	1.7
709.17322	2.8
710.17780	0.6
727.18323	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	727.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01873	6.3
55.18593	1.2
57.03444	2.3
60.26611	1.1
61.02925	3.9
65.03941	1.0
67.73586	1.2
69.03431	6.6
70.06594	9.4
71.44300	1.3
72.08154	2.1
73.02898	2.5
81.03423	4.3
83.04345	1.0
84.04504	1.2
84.08144	2.3
85.02902	10.6
86.09705	3.4
91.05474	2.5
94.90323	1.1
97.02904	4.3
98.22551	2.1
102.50817	1.0
103.03934	2.9
107.04945	1.9
109.02902	1.4
110.07187	2.1
111.04408	1.3
119.04932	10.6
120.08102	1.7
121.02871	56.1
127.03928	2.0
129.10251	1.5
131.04932	1.2
135.04518	1.6
136.07585	3.8
145.02852	6.0
145.04883	1.6
147.04367	2.3
149.02434	1.7
155.04869	1.8
155.08136	1.4
159.04430	1.7
161.02397	1.7
163.03920	2.0
173.06122	1.4
175.03963	2.8
177.01813	5.1
179.03377	1.5
187.03888	5.1
189.01854	10.6
189.05420	1.5
191.03377	6.5
195.02917	6.6
199.03995	2.3
201.01871	2.1
201.05379	2.0
203.03378	18.7
205.04942	3.1
207.02829	9.3
209.04468	1.1
211.03986	1.6
213.01875	1.5
213.05464	1.9
215.03413	7.5
215.06940	1.2
217.04950	8.0
219.02916	6.7
219.06305	1.4
221.04401	5.7
227.03423	3.5
227.07108	1.4
229.04994	2.9
231.02942	4.1
231.06461	1.4
233.04477	4.3
241.04961	4.0
243.02895	4.1
243.06543	2.3
245.04375	5.3
253.04965	1.8
255.02937	2.9
255.06525	1.8
261.04004	2.0
263.06857	1.3
265.08548	1.9
267.02823	1.1
267.06543	3.8
268.07449	3.4
269.04535	2.6
273.04041	2.3
279.06506	5.7
280.07336	2.4
281.04715	1.6
281.08075	6.7
282.05374	1.1
283.05945	11.6
284.06693	1.9
289.08496	1.5
291.06476	3.4
292.07419	2.5
293.07858	6.5
294.05258	22.1
295.06024	94.5
296.06567	12.9
297.07520	10.2
298.08331	1.8
304.07327	2.3
305.08029	3.7
306.08789	2.7
307.06006	61.6
307.09326	2.3
308.06726	29.4
308.09756	0.8
309.04092	1.7
309.07541	27.6
310.07779	1.4
311.05545	1.6
313.07065	5.8
317.08090	5.8
319.06018	7.8
320.06750	13.9
321.07568	64.7
322.08197	13.8
323.05457	3.9
323.09152	10.2
325.07065	67.8
326.07587	6.6
329.08081	5.8
331.06070	2.1
331.09692	1.7
332.06873	1.9
333.07581	30.4
334.08142	10.2
335.05365	3.1
335.09067	32.5
336.06070	6.0
336.09723	1.8
337.07053	75.8
338.07321	6.3
339.08633	8.5
345.07556	21.5
346.08157	3.6
347.05286	1.7
347.09140	12.7
348.06100	1.8
349.07071	76.2
350.07477	7.3
351.08643	30.9
352.08871	2.6
355.08112	12.9
357.07623	1.7
359.09222	8.1
361.07037	42.3
361.10745	2.5
362.07690	4.5
363.08615	39.0
364.08948	2.0
365.10297	1.9
367.08063	13.7
371.09238	2.7
373.07010	20.2
373.11002	1.7
374.07547	2.7
375.04431	1.6
375.08646	18.4
377.10403	2.0
378.07260	1.7
379.08109	81.4
380.08524	6.2
381.09763	2.1
387.08575	14.0
389.10208	4.2
391.08124	93.0
392.08380	7.7
393.09619	3.9
397.09537	1.9
399.08530	3.7
401.10114	4.2
403.08121	22.2
404.08527	1.9
405.09763	4.8
409.09180	59.2
410.09506	4.9
415.08130	21.4
416.08289	1.5
417.09579	4.4
421.09137	12.9
427.10330	33.3
428.10431	4.4
429.09711	3.7
433.09180	24.3
434.09402	1.8
435.10751	1.7
439.10205	6.6
445.09189	9.7
447.10654	2.3
451.10526	2.2
457.11096	15.5
458.10550	1.4
463.10092	9.8
469.11337	3.3
475.10385	10.9
476.10986	1.5
481.11298	23.7
482.11514	2.5
487.12540	6.0
493.11340	14.6
494.12158	1.4
499.12271	11.1
500.12433	1.9
511.12347	74.9
512.12866	8.2
517.13251	5.1
529.13458	20.9
530.13611	2.3
541.13446	22.9
547.14581	9.5
553.13208	7.5
567.67932	1.4
571.14478	59.2
572.14563	6.2
589.15509	100.0
590.15778	12.0
595.14478	7.0
607.15643	3.8
619.16571	11.2
619.25842	1.8
625.15045	2.8
637.17413	11.7
643.16577	27.8
644.16431	3.4
655.16461	8.2
661.17639	25.2
662.17938	4.1
673.17609	92.6
674.17865	12.2
691.18683	49.6
692.19250	6.7
709.09906	1.4
709.19824	15.8
710.19348	2.7
727.20648	2.9
727.36511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	3.5
57.03426	6.1
61.02916	6.4
63.64570	1.6
69.03153	1.3
69.03435	17.1
70.06596	9.7
70.67686	3.1
70.68031	1.8
71.04977	1.9
72.08152	2.7
73.02895	3.9
75.68353	1.4
81.03413	6.6
82.63924	1.4
83.04978	2.3
84.08135	3.5
85.02902	37.2
86.09696	5.1
87.04428	2.4
91.03932	3.1
91.05470	2.6
95.04961	9.7
97.02905	15.1
99.04432	6.0
103.03931	8.1
107.04960	2.4
109.02885	7.7
119.04912	9.6
121.02866	32.9
121.03719	2.9
121.06516	1.9
124.86018	1.7
127.03911	14.5
129.10258	2.6
142.94301	1.5
145.02820	5.9
145.04962	6.7
147.04370	1.9
149.09593	2.7
153.09102	3.7
159.04329	2.1
163.03885	1.8
163.05977	2.3
171.04362	1.7
173.02246	2.0
179.03426	1.9
181.04889	1.9
189.01805	5.6
191.03401	4.1
195.02850	3.3
197.05922	1.8
199.03824	3.7
201.01900	1.7
203.03415	11.4
205.04962	1.5
205.12251	3.4
207.02892	5.0
215.03363	4.9
217.04939	6.5
219.02846	6.1
221.04521	3.6
223.13249	2.2
225.14761	7.6
227.03351	3.2
229.04968	2.1
233.04413	2.7
243.02861	3.0
245.04349	3.1
267.06598	3.4
268.07111	2.0
273.03699	1.9
279.06464	2.1
281.07968	3.5
282.25989	1.5
283.06094	5.2
284.06772	2.5
292.07111	2.1
293.08008	4.6
294.05191	17.1
295.05981	58.8
296.06534	7.6
297.07654	7.6
304.07217	2.1
305.08109	2.4
307.05988	42.4
307.09473	1.6
308.06686	16.0
309.07437	15.7
313.06958	4.2
317.07928	4.3
319.06018	6.9
320.06790	8.2
321.07538	39.0
322.08246	9.3
323.05606	2.4
323.09229	4.4
325.07016	52.0
326.07434	4.4
329.07669	2.9
333.07599	20.2
334.08197	6.4
335.05511	2.3
335.09094	22.3
336.06238	4.7
336.09778	1.9
337.07040	53.7
338.07431	3.6
339.08551	4.9
345.07556	11.7
346.08014	2.4
347.09039	6.1
349.07050	55.8
350.07220	3.3
351.08646	23.7
355.08109	18.1
356.08911	1.8
359.09143	3.4
361.07001	23.6
361.11053	2.8
362.07431	3.0
363.08594	24.3
364.08649	2.1
367.08215	10.0
373.06946	14.3
373.10703	1.9
374.07349	1.9
375.08734	11.5
379.08096	61.9
380.08292	5.0
385.08615	2.2
387.08417	8.8
389.10275	2.5
391.08121	47.6
392.08463	5.7
393.09772	2.1
401.10202	3.9
403.08023	14.5
409.09167	72.1
409.14648	3.7
410.09247	6.7
415.07834	14.3
417.09683	3.8
421.09262	11.0
427.10245	95.4
428.10535	8.2
429.09848	3.4
433.09189	15.6
439.10199	7.6
445.10977	11.6
447.10562	2.3
457.11249	25.2
458.11133	3.7
463.09732	7.1
475.12332	35.3
476.12521	3.1
481.11185	34.3
482.11624	4.1
493.11276	13.0
499.12250	26.0
500.12604	3.3
511.12323	100.0
512.12354	8.9
529.13385	67.4
530.13647	5.1
547.14355	52.5
548.14478	5.6
565.15302	3.8
589.15430	6.7
637.17371	2.0
673.16870	2.4
691.18591	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	727.2076
Annotation	Isomollupentin 7,2''-di-O-glucoside
Peak:m/z	Relative Intensity
53.03955	2.8
55.01880	5.3
56.40841	1.1
57.03425	5.0
59.89836	1.1
61.02919	5.2
69.03429	20.1
69.58546	4.3
70.06592	3.4
71.04986	1.4
73.02921	4.2
81.03405	6.4
83.01360	1.2
85.02904	32.4
87.04466	2.3
91.03960	1.6
97.02893	13.5
98.23316	1.8
99.04462	2.8
103.03967	3.2
107.04978	1.8
109.02876	6.6
115.03899	1.1
119.04948	6.7
121.02866	32.3
127.03918	7.2
135.04411	1.5
138.62334	1.0
142.09232	1.0
145.02855	4.1
145.04980	3.1
147.04408	1.2
163.03925	2.4
168.81516	0.9
171.04453	0.9
173.05992	0.9
175.03899	1.8
176.01097	1.4
177.01854	2.6
177.05484	1.2
179.03333	2.0
187.03941	3.2
189.01814	6.7
189.05533	1.4
191.03403	3.9
195.02943	2.8
199.03925	2.3
201.01889	1.6
201.05457	1.8
201.43501	1.1
203.03378	13.0
205.04980	1.9
207.02910	5.2
211.03917	1.1
215.03368	5.2
217.04970	6.6
219.02934	5.4
221.04489	2.6
227.03445	1.7
229.05037	1.6
231.02905	1.8
233.04466	2.2
241.05040	2.0
243.02802	2.5
245.04544	2.8
255.02786	2.2
255.06589	1.2
267.06384	1.3
267.18121	1.0
268.07275	2.7
271.05853	1.3
273.03915	1.9
279.06647	3.3
280.07220	2.8
281.04648	1.7
281.08212	3.2
283.05975	7.1
284.06784	2.0
289.09003	1.2
291.06552	2.3
292.07227	2.6
293.08118	2.6
294.05212	15.5
294.08505	1.7
295.06009	59.4
295.09045	2.4
296.06531	7.8
297.07614	5.7
298.08173	1.1
304.07129	1.6
305.08041	3.1
306.08887	2.4
307.06009	39.0
307.09503	2.4
308.06732	18.6
309.07538	16.4
310.08051	2.2
313.06943	6.2
317.08170	2.6
319.06049	6.7
319.09402	1.5
320.06723	8.8
321.07550	37.0
322.08228	9.7
323.05469	2.4
323.09122	5.2
325.07047	53.4
326.07446	4.0
329.08142	3.1
331.06039	1.2
333.07565	15.9
334.08331	3.8
335.05435	1.1
335.09055	17.4
336.06207	4.2
336.09753	1.9
337.07034	48.4
338.07495	3.6
339.08557	4.0
345.07553	11.0
346.07983	1.3
347.09183	6.2
349.07031	51.6
350.07458	5.1
351.08606	19.9
352.09128	1.8
355.08032	12.1
359.09308	3.7
361.07001	22.2
361.10794	1.8
362.07523	3.4
363.08582	23.8
364.08859	1.5
365.10480	1.3
367.08145	8.4
373.06879	11.3
373.10483	1.3
374.07483	1.3
375.08826	8.7
376.09201	1.7
377.10248	1.5
379.08090	52.8
380.08505	6.2
385.09265	3.6
387.08582	9.0
389.06100	1.3
391.08090	51.0
392.08572	5.3
393.09763	1.6
399.08615	1.5
401.10248	3.6
403.08105	13.0
405.09854	1.4
409.09140	56.5
410.09445	5.3
415.08090	11.7
416.08255	1.9
417.09695	4.1
421.09192	7.4
427.10251	100.0
428.10611	9.6
429.09668	2.0
433.09195	10.5
434.09402	1.6
439.10364	5.7
445.10684	6.2
451.10074	1.2
457.11334	15.2
458.11411	1.6
463.10043	6.7
475.12231	16.6
481.11313	26.9
482.11563	3.7
493.11237	9.5
494.11670	1.3
499.12335	16.0
500.12106	1.8
511.12338	73.3
512.12671	8.6
529.13397	35.8
530.13849	4.6
547.14429	51.6
548.14905	6.5
561.80359	1.2
565.15265	1.9
586.66547	1.3
589.15289	1.3
637.17291	1.4
637.33093	1.2
673.17383	4.0
674.18384	1.3
691.18048	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	727.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31038	0.3
67.05517	0.5
69.34101	1.4
69.34504	0.7
81.07076	0.4
86.09731	0.4
88.28179	0.3
95.08606	0.4
120.37468	0.3
120.88799	0.4
145.10146	0.3
184.07312	0.5
185.04308	1.0
201.11357	0.3
222.59671	0.4
235.70703	0.3
259.07986	0.6
347.09659	1.1
565.33453	16.4
566.33972	2.0
727.38672	100.0
728.38989	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	728.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70334	0.4
55.05537	0.6
56.05016	0.4
57.03437	0.4
57.56448	0.4
65.03944	0.6
69.03436	1.4
69.07072	0.7
69.49503	2.1
70.06593	17.9
72.08150	3.5
81.03416	4.2
83.17529	0.4
84.04492	1.0
84.08152	3.0
85.02908	2.7
86.09708	8.5
87.05547	0.6
89.03925	0.5
91.05483	12.0
93.07034	0.6
97.02871	1.0
98.06042	1.4
98.23254	0.7
99.04442	1.0
101.07152	0.5
102.05552	0.5
103.03905	0.9
103.05487	0.6
105.07005	0.5
109.02876	2.1
110.07141	0.5
112.08689	0.4
117.03371	1.1
119.04945	22.3
119.08618	0.5
120.05288	0.7
120.08112	1.2
121.02869	0.6
121.06481	0.6
123.04494	0.4
127.03892	1.1
127.08623	1.0
129.03458	0.4
129.10245	1.6
130.64862	0.4
131.04990	0.6
132.02075	0.8
133.06079	0.7
135.04390	1.6
135.11725	0.5
136.07594	0.9
139.08615	0.4
145.02843	1.9
145.04941	0.6
147.04410	20.6
148.04732	0.6
149.02402	0.5
151.91022	0.5
155.08179	1.2
157.03967	1.8
157.13373	0.8
163.03912	7.1
163.11203	1.3
164.04327	1.5
164.11635	0.6
175.03905	37.6
176.04250	1.2
179.07037	2.0
181.09789	0.9
187.10715	0.8
192.04221	0.5
201.12517	0.5
207.06526	100.0
208.06895	4.2
215.10262	0.4
224.13763	0.6
225.14905	0.6
235.06036	0.9
238.11821	0.5
241.48233	0.4
254.14717	0.6
277.07120	2.1
295.06213	0.7
327.08563	1.0
350.07477	0.5
351.10809	4.1
369.07642	0.6
369.11871	10.1
370.12067	1.3
401.18481	0.8
421.10986	0.7
450.26715	0.5
486.77435	0.5
501.26718	0.8
514.27002	0.9
567.18213	1.2
642.92371	0.5
729.33807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68096	1.3
53.03938	6.0
55.01875	2.3
55.05512	11.1
57.03424	3.3
61.02914	5.1
62.91114	1.3
67.05502	4.8
67.32310	1.4
69.00371	14.4
69.03424	15.7
69.07057	1.7
70.06590	26.1
71.05001	7.4
72.08162	9.7
73.02918	4.7
79.05486	2.8
81.03413	16.1
81.07056	2.7
81.17818	1.6
83.04972	12.8
83.08639	1.3
84.04483	2.3
84.08150	9.2
85.02901	69.9
86.03261	2.0
86.09698	12.7
87.04448	2.1
90.05579	1.3
91.05489	6.2
93.07059	2.4
93.21629	1.4
95.04965	87.9
95.08609	2.7
96.05339	2.9
97.02897	34.2
99.04453	61.4
102.05541	1.8
103.03941	75.3
105.07031	4.3
107.08593	6.6
109.02878	23.5
109.06550	3.6
109.10152	5.1
110.07168	2.3
115.03860	1.5
117.19901	1.3
119.04945	4.5
119.08595	6.1
120.08087	1.8
121.02900	4.2
121.09328	1.8
121.10184	5.8
123.08084	4.6
125.09636	3.5
127.03912	100.0
128.04260	3.3
129.10237	8.6
131.08545	5.2
133.10112	2.3
136.07593	3.0
137.09631	4.1
145.04948	56.4
145.10167	3.3
147.04364	4.7
147.08087	1.5
147.11674	6.3
149.09618	35.7
150.10036	1.5
153.09106	37.5
155.08211	2.1
155.71236	1.3
156.09389	2.6
159.11742	1.9
161.13242	4.1
163.06013	38.3
163.11139	1.7
165.12788	3.2
169.08531	2.2
169.09897	2.3
169.13422	1.4
171.11678	5.7
175.03915	5.4
187.05965	3.5
189.12744	11.0
192.08350	1.5
205.06943	2.0
207.06517	18.2
207.13799	19.1
223.13202	1.6
225.14853	84.4
226.15283	3.8
253.07155	1.8
271.08163	14.6
283.05771	1.6
284.06256	1.6
289.09137	12.3
290.09518	1.8
294.05286	1.5
295.05881	7.3
296.06467	8.1
297.07401	1.5
303.71939	1.5
307.06461	3.1
307.10159	15.8
308.06375	6.0
310.07791	2.2
321.07596	3.9
322.07907	3.0
325.07111	5.2
326.07358	5.0
337.06998	3.9
338.07443	4.8
349.06885	4.2
350.07446	4.7
362.07455	3.4
363.08307	3.2
364.08942	2.7
379.08099	4.0
380.08392	4.1
391.08054	4.1
392.08453	4.0
409.08893	2.2
409.48441	1.6
410.09293	6.1
427.10178	5.0
428.10486	10.0
476.12643	1.7
482.11560	3.5
505.19910	1.9
511.12280	2.2
512.12811	10.9
529.13501	2.3
530.13715	4.9
533.79553	1.8
548.14606	4.5
567.12323	2.0
567.20044	8.5
608.17316	2.2
729.24817	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	728.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
53.76450	0.6
53.78037	0.6
55.05272	0.9
55.05518	10.4
56.74912	0.5
57.03434	1.4
57.07079	2.2
65.03949	1.3
67.05515	43.2
68.05851	0.7
69.05083	1.1
69.05492	3.5
69.07076	12.2
71.05018	0.7
71.08627	0.8
79.05510	13.3
81.07071	44.6
82.07404	1.2
83.04999	1.6
83.08628	5.2
85.06566	0.9
91.04968	0.9
91.05496	9.1
93.07056	12.4
94.76297	0.5
95.05010	0.6
95.08621	29.6
96.08949	0.7
97.06550	1.8
97.10189	3.2
105.07053	5.5
107.08616	6.6
109.10166	12.1
109.95319	0.6
111.08105	1.3
113.00034	7.9
113.09698	0.8
119.08588	4.3
121.10167	4.3
123.11735	4.5
127.11185	0.5
131.01149	0.5
131.08568	0.8
133.10103	2.9
135.11739	3.4
137.13300	2.3
147.11729	2.1
148.60115	0.6
149.13301	1.3
151.14807	1.0
161.13266	1.5
163.14864	1.6
169.02663	6.7
175.14873	1.5
177.16411	0.7
245.22780	1.3
263.23691	5.2
319.26535	1.6
323.38174	0.6
337.27411	3.9
385.82004	0.5
401.81625	0.6
599.50409	100.0
600.50739	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	730.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
64.56204	1.6
69.01150	13.2
69.03446	3.0
70.06585	4.7
72.08180	2.0
74.23441	1.6
79.05504	2.9
79.28287	1.5
81.03400	6.8
85.02904	11.6
86.72492	1.5
91.05454	1.8
95.04978	1.9
97.02882	6.3
103.05471	3.5
107.04945	6.7
115.05455	11.1
117.07020	14.9
122.03661	4.0
123.04430	2.4
127.03923	3.3
128.06143	2.2
129.07002	7.2
131.04936	2.8
131.08574	2.7
132.01949	1.6
137.05983	72.2
137.07050	3.9
143.04881	10.9
144.05699	3.6
145.04951	3.1
145.06488	26.2
147.08063	2.4
155.04832	2.3
155.06061	6.4
156.05704	3.1
157.06491	6.1
159.08070	4.7
160.05196	16.3
161.05959	5.7
167.07048	31.4
172.05203	4.1
173.05998	45.4
174.06686	2.3
175.07549	99.5
176.07898	3.2
177.09135	1.7
180.08681	2.1
183.83247	2.0
187.07545	41.1
189.09070	4.6
190.06282	19.7
191.06946	2.1
193.08641	2.2
202.06290	3.1
203.06978	7.4
203.08670	2.1
205.08595	100.0
206.08977	3.3
215.07036	1.9
217.06552	1.5
217.08591	35.3
219.10063	3.2
233.09650	3.3
235.09645	64.5
241.08536	3.4
246.06866	2.3
247.09734	9.7
249.09061	3.8
261.09000	4.6
262.09705	2.0
265.10724	46.2
269.08038	3.8
277.08533	2.9
278.09341	4.3
285.07565	6.0
293.11618	3.2
300.09839	7.1
301.10657	3.1
309.11188	2.5
321.11227	4.7
326.11349	2.1
341.13922	6.8
353.13766	17.0
371.14960	30.3
438.95035	2.0
623.73254	1.7
751.26807	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	730.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
64.56204	1.6
69.01150	13.2
69.03446	3.0
70.06585	4.7
72.08180	2.0
74.23441	1.6
79.05504	2.9
79.28287	1.5
81.03400	6.8
85.02904	11.6
86.72492	1.5
91.05454	1.8
95.04978	1.9
97.02882	6.3
103.05471	3.5
107.04945	6.7
115.05455	11.1
117.07020	14.9
122.03661	4.0
123.04430	2.4
127.03923	3.3
128.06143	2.2
129.07002	7.2
131.04936	2.8
131.08574	2.7
132.01949	1.6
137.05983	72.2
137.07050	3.9
143.04881	10.9
144.05699	3.6
145.04951	3.1
145.06488	26.2
147.08063	2.4
155.04832	2.3
155.06061	6.4
156.05704	3.1
157.06491	6.1
159.08070	4.7
160.05196	16.3
161.05959	5.7
167.07048	31.4
172.05203	4.1
173.05998	45.4
174.06686	2.3
175.07549	99.5
176.07898	3.2
177.09135	1.7
180.08681	2.1
183.83247	2.0
187.07545	41.1
189.09070	4.6
190.06282	19.7
191.06946	2.1
193.08641	2.2
202.06290	3.1
203.06978	7.4
203.08670	2.1
205.08595	100.0
206.08977	3.3
215.07036	1.9
217.06552	1.5
217.08591	35.3
219.10063	3.2
233.09650	3.3
235.09645	64.5
241.08536	3.4
246.06866	2.3
247.09734	9.7
249.09061	3.8
261.09000	4.6
262.09705	2.0
265.10724	46.2
269.08038	3.8
277.08533	2.9
278.09341	4.3
285.07565	6.0
293.11618	3.2
300.09839	7.1
301.10657	3.1
309.11188	2.5
321.11227	4.7
326.11349	2.1
341.13922	6.8
353.13766	17.0
371.14960	30.3
438.95035	2.0
623.73254	1.7
751.26807	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	730.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44639	0.3
55.05498	0.6
56.05031	2.5
57.05798	0.5
58.06594	0.4
60.05633	1.1
67.40137	0.3
68.05007	0.5
69.03420	1.6
69.07064	10.6
70.06590	35.6
71.04980	1.6
71.06905	0.5
72.08151	5.2
74.06079	0.5
79.05471	0.4
80.44630	0.3
81.03418	0.8
82.06586	0.3
84.04499	18.5
84.08138	3.2
85.02906	2.6
85.07688	0.7
85.70040	0.4
86.09702	99.6
87.10027	1.4
88.07636	0.9
90.05535	1.8
90.22626	0.3
91.04006	0.4
91.05492	0.6
95.04997	0.4
95.06071	1.7
96.04504	0.5
97.02902	1.3
97.07644	1.4
98.06065	1.0
98.09639	0.4
99.04425	0.5
101.07122	0.9
102.05533	11.0
107.04955	0.5
109.02882	0.7
110.07157	1.8
110.09762	0.4
112.08720	11.5
113.07121	3.8
114.05527	0.4
115.08683	9.0
116.07064	1.8
119.04930	0.6
120.08099	2.2
125.07116	0.4
127.03954	1.1
129.06593	9.4
129.10231	3.1
130.05055	0.7
130.09764	0.5
131.11784	0.6
136.07559	0.8
140.08170	1.7
141.06575	0.8
141.10228	0.6
143.11824	0.4
145.04944	1.2
147.04474	1.1
152.10649	1.2
155.08090	0.7
156.11349	0.8
157.10869	1.2
158.09221	0.7
159.09209	0.5
163.03914	0.7
163.05992	0.4
169.13414	0.5
170.11737	6.6
170.13098	0.5
173.12953	0.3
175.11978	1.1
180.14966	0.5
181.06252	0.4
183.15021	0.7
191.14264	0.5
193.17075	0.4
194.11945	0.4
197.12842	8.1
198.08888	0.4
199.10774	0.7
199.18086	2.2
199.66290	0.5
201.08653	3.9
206.09219	0.8
207.06396	0.9
208.14529	0.5
211.14473	0.4
213.08971	0.4
215.13901	33.6
216.14235	1.3
218.36086	0.4
224.10306	0.9
225.12288	2.1
226.11891	1.4
227.17572	0.5
228.17125	1.0
241.08463	0.6
241.12958	6.4
243.13393	5.8
244.13022	0.4
245.11331	0.5
253.16574	4.7
258.08862	0.5
261.06277	0.4
265.15469	0.4
269.12463	0.9
273.11298	1.1
279.17303	0.4
287.13510	3.5
304.15927	0.8
325.10815	1.0
338.20816	0.5
340.16708	0.6
353.10248	0.8
358.17188	3.7
370.09357	0.4
371.11163	0.4
375.19943	0.7
471.25552	0.6
484.32510	0.4
512.31555	1.9
530.33038	0.9
601.36658	1.0
613.35944	0.4
641.36487	1.4
659.37097	1.3
712.40314	2.9
713.39191	0.6
730.40863	100.0
731.29175	0.6
731.41125	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07075	30.8
59.04990	0.9
67.05499	1.7
69.07064	5.3
69.61733	2.9
71.08630	32.1
73.02882	0.9
73.06165	0.9
73.06553	9.3
79.05478	0.8
81.07065	2.5
83.08615	5.4
85.10181	18.0
86.09708	3.6
87.04471	8.7
89.06029	100.0
90.06364	1.3
91.07594	1.5
93.07079	0.6
95.08603	1.5
97.10165	7.3
99.11736	3.4
107.07092	2.7
107.08595	0.6
109.10146	0.9
111.11728	4.2
113.13278	1.9
117.09125	8.8
117.33485	0.5
125.00008	2.0
125.13259	2.1
127.14836	2.0
130.08626	2.5
131.07018	3.2
133.08600	57.3
134.08968	1.4
135.10158	1.3
139.14735	0.6
141.16360	1.7
151.09741	0.7
155.18004	0.9
161.11763	2.2
175.09637	2.0
177.11220	24.1
179.14340	0.7
184.07336	11.5
184.08951	0.9
185.40617	0.6
207.62251	0.5
211.24173	2.6
219.63000	0.5
221.13838	5.1
223.15269	0.7
224.27971	0.5
239.14890	1.2
255.26872	1.7
265.16235	0.8
283.17514	1.7
299.29407	5.5
300.30072	0.6
309.19379	0.6
327.20370	0.7
343.32089	3.0
353.21271	0.6
371.22922	0.6
503.30566	1.0
535.19104	0.6
539.85645	0.7
589.48291	1.8
601.51617	1.8
713.54193	2.6
730.56207	2.0
731.42853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05508	1.9
57.03443	2.7
61.02926	7.5
67.05496	7.5
69.03428	4.0
69.07074	1.8
71.05002	1.6
73.02917	4.0
79.05498	5.1
80.65681	0.6
81.03426	2.3
81.07050	7.7
83.04958	0.7
83.08613	1.6
85.02895	7.8
85.06592	0.6
86.09666	0.7
91.03951	4.8
91.05502	2.5
93.07041	4.8
95.04984	0.8
95.08612	3.4
97.02884	5.9
99.04436	0.9
101.02390	2.4
103.03950	1.0
105.07068	1.8
107.08632	3.2
109.10165	1.4
118.27964	0.6
119.08563	0.7
121.10152	2.3
122.54459	0.7
123.11739	0.7
126.02892	0.6
127.03979	1.9
133.10112	1.4
135.11682	1.6
149.13283	1.2
184.07350	3.4
192.25546	0.6
203.05373	0.9
235.13135	1.0
241.81107	0.7
243.08495	1.9
291.15640	0.7
332.16800	0.8
393.37720	0.6
453.20868	5.9
491.30652	0.7
519.29242	8.8
520.29266	1.2
581.44574	0.7
731.43323	100.0
732.43738	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
57.03441	2.0
61.02930	4.3
67.05503	5.8
69.03461	2.7
69.07076	1.5
70.75967	1.4
71.01369	0.6
71.05012	0.7
73.02917	4.1
79.05504	2.9
81.03413	1.8
81.07070	7.3
83.08631	1.3
85.02898	5.6
87.04488	0.8
91.03971	2.6
91.05502	2.7
93.07047	5.2
95.08621	2.5
97.02903	5.3
99.04457	1.1
101.02380	2.5
105.07063	1.8
107.08582	3.4
109.02879	0.9
109.10187	1.1
117.07040	0.5
119.08626	0.8
119.35185	0.6
121.10160	2.3
127.03938	2.0
133.10152	1.2
135.11720	0.8
147.11656	0.7
149.13295	2.1
159.11722	0.9
185.04225	1.0
203.05186	0.6
204.89554	0.6
208.11868	0.6
235.13083	1.4
243.08504	2.4
453.20831	9.7
453.91040	0.7
454.22134	0.7
496.81610	0.6
519.29364	5.5
685.87909	0.8
713.50122	0.6
731.43378	100.0
732.43787	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14523	2.0
54.87932	2.2
55.05506	3.4
56.05031	6.5
60.04528	66.4
69.07067	3.8
70.06584	2.4
71.30431	2.9
72.08141	3.1
81.07069	4.5
83.08588	3.9
95.08604	2.7
282.28036	13.1
300.28931	9.5
318.30026	100.0
319.30374	7.5
328.39008	2.1
495.26868	2.3
533.07013	2.4
549.64105	2.0
701.47150	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	732.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52724	0.9
55.05504	1.8
57.07077	30.5
59.04990	0.9
60.09943	0.8
67.05502	1.3
69.07060	4.1
69.56914	3.5
71.08631	24.5
72.08958	0.9
73.02901	0.9
73.06560	9.6
81.07024	1.3
83.08622	2.5
85.10180	17.9
85.10665	1.4
86.09718	1.0
87.04469	12.0
89.06030	100.0
90.06339	1.8
91.07574	0.9
93.07024	0.9
97.10165	3.2
99.03169	0.8
99.11729	3.0
107.07041	2.6
107.08589	0.8
111.11735	3.2
113.05915	0.8
113.13277	2.7
114.06754	0.7
117.09103	6.0
127.14858	0.9
130.08652	0.9
131.07066	4.3
131.08580	0.9
133.08594	47.6
134.08878	1.3
135.10199	1.6
149.47751	0.7
161.11742	1.2
167.59320	0.8
169.19485	4.1
175.09677	1.6
177.11232	17.9
184.07381	1.6
213.22198	2.4
221.13808	2.3
239.14900	1.4
257.24734	5.8
265.16449	1.0
301.27347	3.0
608.93384	0.9
715.51715	1.5
732.43005	1.0
732.54736	2.2
733.41364	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	733.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.2
56.05032	0.6
60.04519	0.3
69.07047	0.6
70.02948	0.7
70.06587	5.0
72.08150	1.8
74.06077	0.4
80.90950	0.2
83.06123	0.2
84.04507	1.0
84.08144	2.2
85.02900	0.4
86.09705	100.0
87.05583	0.3
87.09501	0.3
87.10033	2.2
88.03999	0.8
98.09680	0.2
99.05598	0.2
101.07094	0.2
102.05486	0.3
103.82880	0.2
110.07156	0.5
112.07610	0.7
115.05027	0.2
115.08716	0.3
115.76199	0.2
116.07096	0.3
119.04919	0.2
120.08092	1.0
127.05034	0.6
127.08705	0.2
128.10750	0.3
129.10240	1.7
132.10201	3.4
136.07579	0.4
140.07083	0.4
143.11827	0.2
145.06067	0.3
155.04459	0.2
155.11780	0.4
157.09763	0.2
159.09216	0.2
159.44818	0.2
171.11311	0.2
173.05611	0.4
173.12938	0.2
183.11206	0.3
185.05550	0.2
199.18066	1.4
201.12251	0.3
224.06837	0.3
227.17542	0.3
242.07668	0.3
245.18597	49.5
246.19005	2.1
287.42416	0.2
342.07867	0.2
343.16095	0.4
427.18402	0.2
458.18597	0.4
584.23242	0.3
715.32489	0.4
732.86456	0.2
733.29413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74182	1.0
57.42494	1.0
70.27084	2.4
70.27451	2.1
77.22846	0.9
92.78872	1.0
93.07069	1.4
98.23244	1.1
129.20570	0.8
141.93399	0.8
150.96294	0.9
213.33458	1.0
535.26721	1.8
734.38666	100.0
735.39252	16.5
755.46033	1.1
756.05048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12749	1.0
61.72284	1.1
69.86619	4.6
83.26208	1.0
86.09717	1.2
89.06048	2.0
95.08650	1.1
98.23203	1.5
133.08626	2.2
146.30876	1.0
184.07425	1.5
364.26645	1.1
477.23740	1.3
568.47131	1.4
584.67712	1.2
734.38715	100.0
735.38928	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01874	4.0
56.05017	1.9
56.72720	1.5
57.03440	2.3
65.03947	2.1
69.03439	9.3
70.06596	26.5
71.30592	1.8
72.08164	10.8
73.02910	3.2
79.01859	2.4
79.05486	2.0
81.03413	6.5
83.01351	2.1
84.04501	4.5
84.08143	12.1
85.02912	12.1
86.09703	16.2
91.05475	3.4
93.03433	3.0
97.02898	27.2
99.04429	3.4
102.05538	2.4
103.03932	11.7
103.05453	1.6
105.03419	2.5
107.04961	5.5
107.08567	1.6
109.02866	3.6
110.07170	3.5
111.04424	2.5
119.04959	14.7
120.08102	11.3
121.02869	55.7
121.06539	2.9
125.02351	81.3
127.03921	3.0
129.10216	8.0
135.04398	4.0
135.05446	1.7
136.07584	3.7
144.62990	1.6
145.02861	7.2
147.04414	3.6
153.01851	13.6
158.09500	2.1
159.04410	2.5
161.02367	2.5
163.03938	2.6
171.02890	8.7
173.05751	1.9
175.03970	4.0
176.01054	2.6
177.01849	6.0
179.03436	3.2
185.05957	1.8
187.03893	4.7
189.01875	11.7
189.05482	3.1
191.03418	6.0
195.02832	9.3
197.06041	2.4
199.03926	3.5
201.01831	2.8
201.12263	1.7
203.03409	25.3
204.03871	3.3
205.05011	3.8
206.73593	1.9
207.02937	10.3
208.03448	1.8
209.04466	1.8
213.05510	2.4
215.03394	8.7
217.05013	7.8
219.02943	7.7
221.04504	7.5
227.03355	3.7
229.04955	4.7
231.02911	3.1
233.04408	5.9
235.05934	2.7
243.02950	5.8
245.04471	2.2
253.04971	2.6
255.02838	3.0
255.06657	2.0
255.42509	1.9
257.04385	1.8
261.03870	2.2
267.06589	2.4
268.07178	4.8
273.03778	3.6
279.06598	6.3
280.07245	3.0
281.08194	4.6
282.05188	2.7
283.05969	10.1
284.06891	2.3
291.06479	5.7
292.07419	3.2
293.04990	2.0
293.07858	8.1
294.05191	26.9
295.06000	81.8
296.06540	9.5
297.04547	1.8
297.07452	7.9
305.08221	4.0
307.06012	68.3
307.09189	2.7
308.06641	24.3
309.07492	29.7
309.10889	2.5
310.08014	2.7
313.06985	11.5
317.08005	3.2
319.06110	10.7
320.06723	10.8
321.07550	59.8
322.08209	10.7
323.05566	4.0
323.09088	5.3
325.07059	79.6
326.07407	4.5
329.08090	4.1
331.06006	4.0
333.07623	25.9
334.08328	6.6
335.05487	3.5
335.09149	31.4
336.06207	5.0
336.09692	3.0
337.07043	85.7
338.07504	7.3
339.04959	2.3
339.08774	6.0
345.07553	20.4
346.08014	3.3
347.05396	2.5
347.09137	9.6
349.07065	73.9
350.07455	8.8
351.08661	26.3
352.08994	1.9
355.08087	26.9
356.08521	2.3
359.09280	5.6
361.07019	39.2
361.10950	1.7
362.07382	4.6
363.08633	34.2
364.08762	3.4
365.06519	1.9
367.08157	11.7
373.06964	16.0
373.10907	2.4
374.07556	3.4
375.08606	14.2
377.10385	2.0
379.08118	77.5
379.12979	3.7
380.08377	6.4
385.09192	4.2
387.08490	10.5
391.08105	86.8
392.08426	7.9
393.09854	2.5
399.08881	2.3
401.10223	7.6
403.08105	22.0
405.09683	4.5
409.09161	93.6
410.09409	8.2
415.08173	13.4
417.09579	4.1
421.09271	15.1
427.10257	100.0
428.10645	11.3
429.09628	5.8
433.09131	22.2
439.10281	5.0
445.09470	7.2
451.10318	2.4
457.09213	17.5
463.10196	2.5
475.10236	14.1
476.10162	2.1
481.10889	4.8
493.11258	8.7
511.12338	15.4
512.12384	2.4
526.79529	2.4
579.11237	22.8
585.11664	3.4
591.10803	3.4
597.12360	65.5
598.12640	8.9
609.12476	8.6
615.13177	6.3
627.13300	18.4
633.12189	5.4
645.13037	9.3
651.13416	38.4
652.13257	5.8
663.13312	22.3
664.13135	3.8
669.14600	8.3
681.14545	43.3
682.14465	5.9
699.15656	12.1
717.16553	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	735.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.01874	4.0
56.05017	1.9
56.72720	1.5
57.03440	2.3
65.03947	2.1
69.03439	9.3
70.06596	26.5
71.30592	1.8
72.08164	10.8
73.02910	3.2
79.01859	2.4
79.05486	2.0
81.03413	6.5
83.01351	2.1
84.04501	4.5
84.08143	12.1
85.02912	12.1
86.09703	16.2
91.05475	3.4
93.03433	3.0
97.02898	27.2
99.04429	3.4
102.05538	2.4
103.03932	11.7
103.05453	1.6
105.03419	2.5
107.04961	5.5
107.08567	1.6
109.02866	3.6
110.07170	3.5
111.04424	2.5
119.04959	14.7
120.08102	11.3
121.02869	55.7
121.06539	2.9
125.02351	81.3
127.03921	3.0
129.10216	8.0
135.04398	4.0
135.05446	1.7
136.07584	3.7
144.62990	1.6
145.02861	7.2
147.04414	3.6
153.01851	13.6
158.09500	2.1
159.04410	2.5
161.02367	2.5
163.03938	2.6
171.02890	8.7
173.05751	1.9
175.03970	4.0
176.01054	2.6
177.01849	6.0
179.03436	3.2
185.05957	1.8
187.03893	4.7
189.01875	11.7
189.05482	3.1
191.03418	6.0
195.02832	9.3
197.06041	2.4
199.03926	3.5
201.01831	2.8
201.12263	1.7
203.03409	25.3
204.03871	3.3
205.05011	3.8
206.73593	1.9
207.02937	10.3
208.03448	1.8
209.04466	1.8
213.05510	2.4
215.03394	8.7
217.05013	7.8
219.02943	7.7
221.04504	7.5
227.03355	3.7
229.04955	4.7
231.02911	3.1
233.04408	5.9
235.05934	2.7
243.02950	5.8
245.04471	2.2
253.04971	2.6
255.02838	3.0
255.06657	2.0
255.42509	1.9
257.04385	1.8
261.03870	2.2
267.06589	2.4
268.07178	4.8
273.03778	3.6
279.06598	6.3
280.07245	3.0
281.08194	4.6
282.05188	2.7
283.05969	10.1
284.06891	2.3
291.06479	5.7
292.07419	3.2
293.04990	2.0
293.07858	8.1
294.05191	26.9
295.06000	81.8
296.06540	9.5
297.04547	1.8
297.07452	7.9
305.08221	4.0
307.06012	68.3
307.09189	2.7
308.06641	24.3
309.07492	29.7
309.10889	2.5
310.08014	2.7
313.06985	11.5
317.08005	3.2
319.06110	10.7
320.06723	10.8
321.07550	59.8
322.08209	10.7
323.05566	4.0
323.09088	5.3
325.07059	79.6
326.07407	4.5
329.08090	4.1
331.06006	4.0
333.07623	25.9
334.08328	6.6
335.05487	3.5
335.09149	31.4
336.06207	5.0
336.09692	3.0
337.07043	85.7
338.07504	7.3
339.04959	2.3
339.08774	6.0
345.07553	20.4
346.08014	3.3
347.05396	2.5
347.09137	9.6
349.07065	73.9
350.07455	8.8
351.08661	26.3
352.08994	1.9
355.08087	26.9
356.08521	2.3
359.09280	5.6
361.07019	39.2
361.10950	1.7
362.07382	4.6
363.08633	34.2
364.08762	3.4
365.06519	1.9
367.08157	11.7
373.06964	16.0
373.10907	2.4
374.07556	3.4
375.08606	14.2
377.10385	2.0
379.08118	77.5
379.12979	3.7
380.08377	6.4
385.09192	4.2
387.08490	10.5
391.08105	86.8
392.08426	7.9
393.09854	2.5
399.08881	2.3
401.10223	7.6
403.08105	22.0
405.09683	4.5
409.09161	93.6
410.09409	8.2
415.08173	13.4
417.09579	4.1
421.09271	15.1
427.10257	100.0
428.10645	11.3
429.09628	5.8
433.09131	22.2
439.10281	5.0
445.09470	7.2
451.10318	2.4
457.09213	17.5
463.10196	2.5
475.10236	14.1
476.10162	2.1
481.10889	4.8
493.11258	8.7
511.12338	15.4
512.12384	2.4
526.79529	2.4
579.11237	22.8
585.11664	3.4
591.10803	3.4
597.12360	65.5
598.12640	8.9
609.12476	8.6
615.13177	6.3
627.13300	18.4
633.12189	5.4
645.13037	9.3
651.13416	38.4
652.13257	5.8
663.13312	22.3
664.13135	3.8
669.14600	8.3
681.14545	43.3
682.14465	5.9
699.15656	12.1
717.16553	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	735.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68008	1.1
65.50790	1.1
68.50832	1.0
70.06594	5.4
71.28852	1.8
72.08162	1.4
86.09716	1.4
158.65305	1.1
158.70526	1.1
195.65948	1.0
264.64407	1.1
280.26871	1.2
397.81332	1.2
573.19440	5.7
735.24677	100.0
736.24854	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	738.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89458	0.4
53.03938	1.2
55.01870	0.9
55.93273	1.0
55.93528	12.1
56.94298	1.3
57.03436	1.3
61.02923	1.7
61.38874	0.5
69.03430	7.8
70.06590	6.7
71.04988	0.7
71.70970	0.5
71.93011	4.0
72.08154	1.1
72.93787	5.7
73.02910	0.6
81.03418	8.1
84.04511	0.6
84.08139	2.4
85.02905	10.2
86.09692	1.0
89.03921	3.8
89.94035	0.7
90.94820	4.3
91.03970	0.7
97.02885	13.4
97.03493	0.7
98.22533	1.2
99.04452	1.1
105.93500	0.7
107.95142	0.5
108.95850	0.8
109.02887	5.2
117.03369	4.1
120.08148	0.8
121.02852	0.7
125.96136	0.7
127.03934	2.9
128.96312	1.0
129.10304	0.9
131.95096	2.7
132.95821	4.2
134.03604	3.6
135.04425	9.9
136.07579	1.1
136.95345	0.9
140.96324	0.6
143.96274	0.6
144.95831	6.6
145.02841	7.1
145.04922	1.1
146.03165	0.7
146.97427	1.1
149.96117	1.7
150.96924	1.2
152.96268	0.8
156.95883	1.1
157.96616	1.2
158.97437	5.4
160.95412	0.7
161.96091	2.5
162.03001	0.6
162.96873	4.3
163.03903	54.3
164.04221	2.1
165.97104	0.6
167.80121	0.6
168.95790	2.6
169.96608	4.3
170.97365	0.8
173.96089	1.6
174.96877	1.1
175.97662	1.6
176.93942	0.6
176.98468	2.2
178.97838	0.8
181.96565	0.7
185.96115	1.9
186.96883	5.4
187.95822	0.8
187.97670	3.8
188.98401	0.6
189.97148	0.8
193.96642	1.6
195.98239	0.9
197.96121	1.9
198.96921	2.6
199.97694	1.9
203.97241	0.9
204.97902	0.8
205.96605	12.3
206.97398	3.0
207.98137	1.5
209.96194	2.8
210.96947	1.0
211.97643	2.0
215.97141	4.9
216.95821	1.8
216.97968	3.1
217.96593	1.8
218.97354	0.6
219.94531	1.9
220.95232	0.8
221.96095	0.7
222.96919	1.5
223.97670	13.4
224.98483	2.6
227.97241	0.8
232.97403	0.7
233.96155	1.3
233.98193	1.1
234.96881	18.6
234.99034	7.9
235.97617	10.7
235.99825	0.8
236.98267	0.7
237.95680	1.4
239.97249	0.8
240.98030	0.7
241.98724	0.7
247.94054	5.9
248.94783	4.0
249.95612	2.3
249.99356	0.8
250.96368	1.8
251.97113	22.1
252.97929	33.3
253.98297	3.3
254.98412	0.6
257.98151	0.8
259.97662	1.3
265.95078	6.0
266.95795	1.9
267.96655	1.8
268.97403	4.8
269.98193	12.7
270.98843	1.0
271.99780	1.9
275.97101	14.0
275.99362	15.4
276.97467	4.4
277.00098	2.5
283.96161	1.8
287.96970	2.1
287.99326	2.5
288.97925	3.4
289.00336	2.0
289.98547	3.0
290.01456	3.5
290.99475	1.5
293.98151	7.6
294.98883	1.0
297.79459	0.6
299.99393	1.3
300.97815	0.8
301.98422	1.5
302.01355	0.9
302.99512	0.9
305.98001	1.3
306.98688	0.9
307.96240	1.0
307.99805	2.0
309.00531	0.6
310.98566	1.1
311.99826	3.8
312.97559	1.1
313.98703	1.1
317.97742	4.7
318.98761	2.7
319.99832	2.6
321.98920	1.0
323.99384	1.1
329.98096	21.6
330.98688	1.9
335.99371	3.2
337.00079	1.7
347.99179	4.8
349.98788	2.1
360.01160	2.2
378.02530	52.1
379.03351	4.9
395.00519	4.5
396.01370	100.0
397.02002	17.6
467.42990	0.6
521.44592	0.6
558.06415	3.3
624.33777	0.7
738.37177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.05512	11.4
56.05024	1.3
56.78629	0.4
57.03423	0.7
57.07072	7.4
58.06590	0.9
61.39367	0.4
65.03922	1.0
65.67625	0.4
67.05503	10.7
69.03439	1.9
69.07066	18.9
70.06583	1.3
70.07402	0.5
71.04981	0.5
71.08635	5.0
79.05064	0.6
79.05493	8.5
80.05007	2.3
80.37331	0.4
81.03419	0.8
81.05818	0.5
81.07060	10.3
81.85919	0.4
82.06573	4.0
83.04995	0.5
83.08617	15.4
85.02900	3.0
85.10177	2.5
91.05479	9.0
93.07043	8.7
94.06563	13.7
95.04945	0.9
95.07352	3.1
95.08601	8.0
95.09222	0.4
96.08141	2.4
97.02878	1.8
97.03423	0.4
97.10168	16.9
98.06081	0.8
100.07607	0.5
105.04497	0.5
105.07018	5.9
107.07309	0.4
107.08572	3.8
108.08100	2.8
109.10168	3.2
111.11716	9.8
119.07775	0.6
119.08574	5.6
121.08861	0.5
121.10130	3.7
122.09670	1.9
123.11700	1.2
125.13278	5.3
127.03886	0.4
133.10127	3.4
135.11696	2.8
139.14807	1.7
147.11711	0.8
149.13286	1.1
153.16396	1.3
161.13182	0.4
193.19508	0.4
209.22639	1.2
220.20555	0.5
233.22665	1.6
245.22649	2.7
250.25298	6.0
251.25671	0.5
262.25293	100.0
263.23398	0.5
263.25668	6.4
264.26782	0.4
269.24774	2.5
272.25845	1.2
274.39740	0.4
280.26288	5.2
296.26419	0.4
297.24319	0.5
304.26563	0.9
306.27838	1.0
403.68884	0.4
442.31644	0.5
486.46445	0.6
493.70511	0.4
498.46762	2.1
499.47076	0.6
504.47775	0.8
516.47876	1.5
546.48761	1.2
558.48749	6.1
559.48956	0.9
560.50372	6.4
561.51007	0.7
576.49866	3.9
577.50067	0.5
597.49030	0.6
659.00500	0.4
738.54114	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	739.4265
Annotation	Dioseptemloside C
Peak:m/z	Relative Intensity
53.03941	1.6
53.67416	1.2
55.01874	3.1
55.05512	4.8
57.03441	13.5
57.07068	2.3
61.02929	2.2
65.03947	2.1
67.05507	16.0
69.03434	5.3
69.07069	3.4
69.98868	1.3
70.06594	8.8
71.04998	69.5
72.08137	9.2
73.02927	2.6
75.04478	5.7
79.05504	5.2
81.03431	2.8
81.07076	8.6
83.04986	5.6
85.02908	100.0
85.06544	13.8
86.03256	1.7
86.09702	3.4
87.04470	4.1
91.05463	7.2
93.07040	9.5
95.04974	6.3
95.08607	10.8
97.02897	5.3
97.10167	1.8
99.04475	2.3
103.03956	2.8
105.07009	9.5
107.08598	10.3
109.02916	2.7
109.06537	3.0
109.10154	10.1
111.04443	5.0
113.06017	4.9
115.07548	2.0
117.06997	2.8
119.04945	1.6
119.08568	7.0
120.08129	2.9
121.06522	2.5
121.10123	10.0
123.11674	1.9
127.03935	5.6
128.06157	1.3
129.05482	34.9
129.06973	3.1
131.08583	9.6
133.10135	11.6
135.11725	3.9
138.09100	1.7
142.07733	3.6
143.08546	8.2
143.10692	3.0
144.09290	1.7
145.04976	3.3
145.10139	12.3
147.04390	1.4
147.06511	15.6
147.11681	17.1
149.13297	2.5
155.08533	4.2
157.10133	29.1
159.11659	11.4
161.13263	2.6
163.06082	1.7
169.10120	2.9
171.11696	6.4
173.13280	4.5
175.11226	3.0
175.22424	1.5
183.11691	4.0
185.13268	3.5
197.13271	5.2
207.06570	2.4
211.14709	2.3
225.16319	2.1
251.18073	2.3
253.19531	79.0
254.19910	4.6
255.08661	1.8
255.21037	2.2
271.20557	38.5
272.20972	2.6
309.11646	2.2
355.26108	2.3
395.29480	8.2
413.30450	15.3
431.31622	14.2
432.31775	2.1
433.25861	5.3
460.17688	1.6
575.35437	5.8
579.31903	9.1
593.36926	4.2
663.37152	4.9
721.41327	16.5
722.42041	2.4
739.29218	2.0
739.40942	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01872	3.0
55.05508	17.1
57.03444	10.4
57.07068	3.0
65.03929	3.5
65.04755	2.0
67.05508	50.7
69.03416	2.8
69.07069	15.1
70.76912	1.8
71.04984	2.1
79.05492	45.7
81.03408	4.0
81.07056	51.1
82.07407	2.4
83.04985	4.2
83.08633	11.8
85.06516	2.4
91.05477	19.6
93.07044	62.4
94.07310	1.8
95.04948	10.0
95.08610	63.9
97.02884	5.4
97.06549	4.2
97.10172	4.2
98.23394	3.1
99.04451	4.1
105.04516	1.8
105.07037	15.5
107.04956	9.0
107.08600	40.1
109.10159	13.9
111.08087	2.0
117.07030	13.5
119.08578	18.2
121.06484	6.5
121.10133	24.9
123.11739	2.3
125.05988	2.4
130.07802	2.3
131.08575	5.0
132.83640	2.1
133.10132	5.6
135.08084	4.6
135.11694	58.9
136.12006	1.9
138.04617	2.1
139.07530	4.2
143.08603	2.3
145.10127	36.0
147.11697	3.2
149.13269	3.0
159.11711	3.7
163.11174	74.9
164.11540	2.2
181.12273	10.6
227.12793	93.7
228.13148	4.3
228.95128	2.2
243.21207	3.3
245.40453	2.0
261.22092	6.1
270.64252	1.9
278.27347	2.0
283.15399	98.0
284.15646	6.4
306.27667	2.5
317.24768	3.8
335.25797	100.0
336.26080	5.8
543.36871	80.5
544.37103	5.7
599.50409	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01872	3.0
55.05508	17.1
57.03444	10.4
57.07068	3.0
65.03929	3.5
65.04755	2.0
67.05508	50.7
69.03416	2.8
69.07069	15.1
70.76912	1.8
71.04984	2.1
79.05492	45.7
81.03408	4.0
81.07056	51.1
82.07407	2.4
83.04985	4.2
83.08633	11.8
85.06516	2.4
91.05477	19.6
93.07044	62.4
94.07310	1.8
95.04948	10.0
95.08610	63.9
97.02884	5.4
97.06549	4.2
97.10172	4.2
98.23394	3.1
99.04451	4.1
105.04516	1.8
105.07037	15.5
107.04956	9.0
107.08600	40.1
109.10159	13.9
111.08087	2.0
117.07030	13.5
119.08578	18.2
121.06484	6.5
121.10133	24.9
123.11739	2.3
125.05988	2.4
130.07802	2.3
131.08575	5.0
132.83640	2.1
133.10132	5.6
135.08084	4.6
135.11694	58.9
136.12006	1.9
138.04617	2.1
139.07530	4.2
143.08603	2.3
145.10127	36.0
147.11697	3.2
149.13269	3.0
159.11711	3.7
163.11174	74.9
164.11540	2.2
181.12273	10.6
227.12793	93.7
228.13148	4.3
228.95128	2.2
243.21207	3.3
245.40453	2.0
261.22092	6.1
270.64252	1.9
278.27347	2.0
283.15399	98.0
284.15646	6.4
306.27667	2.5
317.24768	3.8
335.25797	100.0
336.26080	5.8
543.36871	80.5
544.37103	5.7
599.50409	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	740.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05284	0.4
55.05518	5.6
56.05029	0.9
57.03439	1.0
57.07069	0.3
58.06603	6.0
59.04992	0.9
64.57112	0.3
65.03940	0.5
67.05505	12.4
69.06726	0.6
69.07068	7.4
69.76546	0.8
69.76939	0.5
70.06583	4.5
71.05003	0.6
74.06099	1.8
79.05495	5.2
80.48064	0.3
81.07057	11.4
82.06583	0.9
82.07396	0.4
83.08621	3.7
83.82367	0.3
84.08139	1.0
85.06551	0.7
91.05486	1.9
93.07040	5.9
95.04968	0.4
95.08609	10.0
96.08122	0.9
97.06529	0.5
97.10172	1.2
105.07018	1.2
107.08611	3.4
109.10182	3.0
110.09673	0.4
119.08590	3.1
121.10132	3.0
123.11732	0.9
133.10138	0.7
135.11700	2.0
137.13292	0.4
138.12787	0.5
147.11723	0.7
149.13286	0.5
165.16547	0.4
218.22833	0.4
290.28412	14.6
291.28784	1.3
306.27933	0.6
308.29492	6.8
309.29977	0.5
326.30521	100.0
327.30859	7.1
403.49576	0.3
517.85046	0.4
712.39606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01874	0.3
55.05511	6.4
56.05039	2.8
57.03430	0.2
57.07078	5.3
58.07409	0.2
60.04531	0.4
61.02921	0.4
61.36594	0.2
65.03928	0.4
67.04233	0.6
67.05506	6.0
68.17340	0.2
69.00261	0.5
69.00671	1.2
69.03422	0.9
69.07069	10.7
70.06584	0.5
70.07386	0.3
71.08633	3.2
71.14060	0.2
79.05065	0.3
79.05494	3.5
80.05013	0.5
81.03405	0.4
81.05813	0.9
81.07053	5.2
82.06581	12.8
83.04981	0.3
83.08620	10.5
84.08922	0.3
85.02901	1.3
85.10192	1.5
87.04448	0.2
91.05482	0.9
93.07037	2.3
94.06594	0.7
95.04990	0.2
95.07352	0.8
95.07971	0.2
95.08606	4.6
96.08134	3.0
97.02888	0.6
97.06493	0.3
97.10169	13.5
98.10484	0.4
107.08601	1.4
108.08112	0.3
109.10145	1.8
110.06043	0.2
110.09743	0.2
111.11720	6.7
112.12035	0.2
113.13178	0.2
121.10149	1.8
123.11725	0.4
125.13276	3.3
126.13593	0.3
127.03867	0.6
135.11684	1.1
137.13254	0.4
139.14819	1.8
145.04979	0.3
149.13220	0.2
151.14864	0.3
153.16397	0.8
209.22650	1.3
211.20590	0.4
247.24194	0.8
252.26865	8.0
253.27135	0.6
262.25305	0.4
264.26855	100.0
265.27231	7.5
266.28476	0.4
269.24765	1.8
272.25787	0.6
278.24814	0.2
282.27914	4.0
283.28183	0.4
297.24182	0.7
306.27954	1.5
314.26685	0.2
337.27063	0.2
444.33044	0.5
462.02533	0.2
488.48206	0.7
500.48117	0.9
502.50070	0.4
506.48969	0.8
518.49200	0.5
536.50500	0.6
548.50214	1.7
549.50464	0.3
560.50299	3.3
561.50519	0.8
562.44086	0.3
562.51971	4.5
563.51984	1.0
578.51361	2.9
579.51477	0.8
740.57001	1.4
741.56262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72258	0.6
55.05493	0.5
63.02389	0.8
66.58354	0.5
69.48318	3.2
70.06585	2.3
75.23754	0.5
78.04685	0.8
81.04236	0.6
85.02904	0.7
89.03917	10.7
91.05481	1.1
93.03417	0.7
98.22623	1.0
100.11233	0.6
103.05458	1.1
106.04230	0.8
117.03384	26.9
119.04913	1.3
121.02901	4.1
131.04933	0.7
131.74435	0.7
134.03658	1.1
135.04430	1.6
137.05910	0.7
145.02843	65.7
146.03188	2.2
149.05972	8.7
159.04271	0.7
161.22174	0.5
175.03728	0.6
175.07584	0.8
177.05466	100.0
178.05821	3.7
186.05540	1.1
189.01784	1.1
191.03323	0.8
201.05467	0.7
203.03337	1.3
210.14842	0.7
219.06531	1.7
231.02919	0.6
243.06412	0.6
252.77254	0.8
261.07559	1.4
271.05838	0.7
283.06000	3.5
285.07230	0.7
294.05234	1.4
295.05960	4.4
296.06488	1.4
303.08627	0.8
307.06137	4.0
308.06482	1.8
309.07480	1.1
313.07047	3.5
319.05978	0.7
321.07159	4.1
322.07556	0.7
325.06873	2.9
333.07492	2.2
335.09100	1.5
337.06979	6.7
339.10785	9.5
345.07443	1.0
349.07050	3.5
351.08673	1.0
355.08185	0.8
361.06952	1.6
363.08563	1.8
367.08185	2.8
373.07080	1.2
379.08118	4.7
385.09082	1.9
387.08685	0.7
391.08182	4.6
403.08224	0.8
409.09406	1.5
427.10095	2.1
455.11200	0.9
457.11475	1.0
475.12262	1.0
481.11487	0.8
483.10635	0.8
501.11832	1.5
511.12317	0.8
513.11853	1.1
529.13196	1.0
531.12738	1.1
555.12598	2.0
567.12714	1.0
585.13763	4.3
603.14893	2.9
621.16077	4.2
633.15430	0.8
651.16510	2.3
675.17041	5.3
705.18500	3.4
723.18402	1.0
741.27325	12.6
741.54602	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	741.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
60.04525	4.5
60.31490	0.4
64.00446	0.3
68.05040	0.4
69.07057	2.6
69.25726	2.3
70.06593	100.0
71.06932	1.3
72.08164	2.5
75.05599	0.4
75.54526	0.3
83.06106	0.5
84.04536	0.8
84.08145	1.9
85.02901	0.4
86.02431	0.4
86.09706	46.0
86.69668	0.3
87.10047	1.1
89.39252	0.3
91.05465	0.4
96.08154	0.4
97.02876	0.4
98.06060	1.0
99.04483	0.3
110.07156	0.7
111.09190	0.4
114.09148	0.4
115.08672	1.7
116.07090	0.6
120.08116	0.8
123.09222	1.1
125.07098	0.3
125.10758	0.5
126.05532	1.1
127.03954	0.4
127.08677	15.1
128.10739	1.3
129.10266	1.3
136.07603	0.6
137.07118	1.2
138.12776	0.5
139.08661	1.0
141.10220	6.3
143.11806	3.8
150.10312	0.5
151.08699	0.6
153.10220	0.6
155.08153	57.2
156.08562	1.0
157.06168	0.8
157.09726	17.1
158.10030	0.5
167.08110	0.5
169.09720	6.0
169.13393	0.3
171.11331	0.7
172.10837	1.4
180.11479	0.4
181.09720	0.6
184.52589	0.3
185.09219	12.6
187.07214	0.6
192.71347	0.3
199.18103	2.7
201.12466	0.8
208.10858	1.5
210.12527	1.1
219.13489	1.3
221.09268	0.4
222.18311	0.3
223.14523	0.4
224.10364	0.5
225.15947	2.4
226.11890	2.6
226.15585	0.3
227.17598	0.9
228.13307	0.4
238.11887	5.0
240.17059	7.8
242.11443	1.1
253.15576	1.4
256.12891	4.3
258.14490	0.4
268.16574	16.4
271.06042	0.8
284.19724	0.4
294.18033	0.7
300.59753	0.4
311.20712	2.4
323.17419	1.0
324.19321	0.9
329.18277	2.3
337.18802	0.9
339.20215	2.1
348.79166	0.4
353.25504	4.0
355.19833	1.7
369.21600	0.6
371.22748	0.5
381.25021	8.5
382.25497	0.6
392.19278	1.0
408.26199	0.5
410.20471	1.4
424.29065	0.5
436.25610	0.6
452.28925	0.9
460.25830	0.5
468.28082	1.6
486.29227	30.1
487.29404	2.6
495.29288	3.6
496.29697	0.5
505.27725	2.3
523.28778	11.5
524.29138	1.1
549.34302	0.5
557.32922	3.1
608.37573	1.3
618.36163	1.5
636.37091	8.7
637.37433	1.0
723.40613	0.7
741.41461	16.8
742.41907	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	741.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.05032	2.6
57.03431	0.3
60.04520	4.6
68.05011	0.7
69.31501	2.4
70.06587	100.0
71.06922	1.0
72.08151	17.6
73.08493	0.4
74.05658	0.7
74.06074	14.1
79.99532	0.3
84.04501	1.0
84.08136	13.5
86.09705	0.9
90.07846	0.3
95.38882	0.4
96.04491	0.5
98.05413	0.7
98.06048	13.0
100.07635	0.5
101.10796	0.6
102.05534	3.1
103.68799	0.4
107.32270	0.3
110.06029	5.8
112.03957	4.8
114.05569	0.4
116.07092	1.1
125.07135	0.7
126.05511	10.3
127.03938	0.4
127.08663	3.5
129.06612	0.8
129.10233	9.2
130.04999	3.2
130.08630	10.5
131.08150	0.5
136.07602	0.4
141.29564	0.4
145.09703	2.9
146.07036	0.4
147.11278	16.3
150.11728	0.3
153.06584	0.7
153.10201	1.0
155.08142	9.6
167.11810	2.8
169.13353	22.3
170.13710	0.5
171.11307	1.3
173.09256	1.2
181.09761	1.5
183.07640	13.4
195.11288	6.8
196.11134	0.3
197.12840	6.8
199.10812	1.0
201.08714	3.7
209.09265	1.0
210.04172	0.4
213.12360	1.1
215.13882	4.5
224.10399	0.5
224.14011	1.2
228.17137	0.8
237.00865	0.8
238.11900	1.4
242.11438	0.4
246.18114	5.7
247.18459	0.5
252.13475	0.6
256.12985	1.9
256.16550	0.5
258.10968	1.0
266.11298	2.0
266.18628	1.6
274.14035	1.0
284.12402	7.4
294.18094	6.1
302.13434	2.3
311.20850	0.4
312.19135	5.6
325.22644	0.5
343.23349	7.3
344.23697	0.7
381.17667	2.3
382.97021	0.4
399.18777	0.4
422.27628	2.3
440.28644	36.8
441.29010	2.8
496.24075	0.7
541.33087	1.8
577.29474	0.5
612.37439	0.8
697.38873	1.0
723.40503	2.8
741.41296	58.2
742.41638	8.9
744.39240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
55.01859	2.4
55.05515	5.5
56.05013	1.4
57.03435	4.1
58.06602	1.2
59.05014	1.0
60.04526	2.3
61.02915	3.5
67.05499	4.5
69.03431	20.3
69.07081	6.1
69.30410	2.4
69.30820	4.9
70.06593	53.2
71.04671	0.8
71.05005	7.4
71.06924	1.9
72.08155	16.3
73.02917	5.3
74.06043	1.2
79.05496	8.8
81.03422	34.4
81.07057	39.9
83.01337	1.4
83.04978	13.1
84.04509	5.6
84.08150	15.0
85.02906	68.2
85.08464	1.5
86.03201	1.2
86.09709	25.9
87.04476	1.9
88.03996	1.1
88.14857	1.2
91.05476	8.1
93.07027	6.4
95.04959	8.3
95.08583	3.8
97.02894	41.4
97.06546	1.9
98.06039	3.3
99.04456	42.5
99.08085	15.5
101.06012	1.4
101.07168	1.9
102.05543	3.0
103.03944	56.5
104.05398	1.0
105.07054	7.3
107.04953	2.5
107.08593	19.8
109.02873	26.9
109.06518	5.2
109.10133	3.5
110.07158	3.5
110.09659	1.3
111.04448	2.8
111.08101	1.9
112.11315	1.2
115.03895	1.7
115.08673	2.1
116.07118	2.3
117.03366	1.5
117.07017	2.4
119.04913	2.6
119.08594	6.9
120.08104	8.9
121.06484	3.5
121.10136	3.3
123.04433	34.4
123.08070	3.2
123.11757	1.3
125.06037	1.4
125.09625	29.4
126.10377	3.0
127.03920	91.5
127.07552	8.2
127.08600	2.0
128.04234	1.7
129.10228	11.5
131.08551	3.1
133.06412	1.0
133.10159	6.1
135.04425	1.7
135.08060	4.0
135.11620	1.4
136.07605	1.4
137.05981	16.4
137.09613	3.3
138.06720	3.2
138.09148	1.1
141.05466	18.2
143.08464	1.4
143.10710	9.9
143.11774	1.9
145.02902	2.2
145.04948	42.8
145.10106	2.7
146.05310	1.4
147.04425	2.8
147.08043	4.2
147.11728	2.4
149.06015	1.3
149.09627	2.2
151.07556	1.6
151.11127	2.0
153.05476	4.2
155.08171	3.1
157.10841	4.3
159.07950	1.4
161.09619	5.1
163.03864	4.3
163.06033	20.5
163.07416	2.2
165.05513	1.9
165.09114	1.6
167.07030	1.9
167.10696	1.2
169.04977	2.1
169.09804	1.3
169.13358	1.8
173.05904	1.9
173.09549	2.0
175.03874	2.8
175.11174	5.0
177.05455	6.0
179.10725	5.6
183.14966	3.8
185.09520	1.7
187.05980	9.2
187.07295	1.1
191.08345	1.3
193.12221	10.1
197.16476	1.4
201.12315	1.4
203.10655	4.4
205.07069	3.3
207.06500	2.9
221.11705	22.8
222.12215	2.2
223.13264	2.4
239.12782	100.0
240.13177	7.4
253.07117	2.1
268.13232	1.2
271.05673	2.6
271.08371	8.1
272.06186	2.5
280.76517	1.2
289.09189	5.5
307.10098	3.3
385.24728	2.3
393.85165	1.4
447.14795	1.8
529.22443	1.4
742.33972	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05513	7.1
56.05040	3.4
57.07080	6.0
58.06593	1.4
60.04530	3.2
67.05502	13.2
68.05048	1.3
69.06002	7.1
69.06409	1.7
69.07072	7.5
70.06596	2.0
71.08623	1.9
79.05492	14.6
80.05018	4.0
81.05829	1.3
81.07056	14.5
82.06586	6.1
83.08617	5.9
85.02922	2.9
85.10209	1.2
85.24638	1.2
91.05483	9.3
93.07046	11.1
94.05999	0.8
94.06569	22.5
95.04983	1.3
95.07350	9.3
95.08601	8.4
96.08141	5.9
97.10180	4.8
105.07019	4.7
107.08595	7.4
108.08132	2.6
109.10161	3.6
115.44682	1.2
119.08582	6.8
121.10139	6.1
122.09686	2.0
123.11714	1.7
133.10155	3.5
135.11725	4.1
146.93507	1.0
147.11714	1.9
149.13280	1.7
180.71017	1.1
233.22546	2.6
245.22710	4.5
250.25259	7.8
262.25305	100.0
263.25668	7.8
269.27026	1.3
280.26306	7.5
300.28934	5.8
424.29337	1.2
493.70526	1.2
532.50677	2.7
544.50848	23.6
545.50964	3.2
546.52368	3.9
562.51892	11.5
563.52417	2.2
724.56879	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.0
53.03710	0.0
53.03944	0.6
55.01868	0.2
56.09078	0.0
57.07098	0.0
58.90561	0.0
61.69460	0.0
69.70918	0.1
77.03929	0.3
79.05492	1.3
81.03402	0.2
82.96307	0.0
85.02903	0.1
85.06541	0.1
91.05471	0.0
95.04969	1.2
97.02879	0.0
99.83924	0.0
105.04514	0.6
106.89297	0.1
107.04953	100.0
107.20998	0.1
108.05280	2.5
123.04404	0.0
127.03914	0.0
145.04942	0.1
145.08580	0.1
159.63414	0.0
191.09145	0.1
213.09079	1.2
214.09422	0.1
228.87830	0.0
297.13370	0.1
456.88113	0.0
697.10132	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.1
53.39447	2.0
55.05514	12.8
57.03442	8.2
57.07076	4.3
59.32398	2.1
61.02918	1.9
66.43740	2.0
67.05508	46.8
69.07069	23.3
71.05009	2.7
79.05506	15.9
81.07056	83.5
82.07381	2.9
83.04974	5.4
83.08630	8.4
85.02919	3.6
85.06574	5.3
85.74776	2.0
91.05494	22.9
93.07052	18.1
95.05027	2.9
95.08606	30.3
97.02913	2.2
97.06539	5.2
97.10175	4.4
99.08089	4.7
105.07025	23.9
107.08564	12.9
109.06510	3.1
109.10180	8.5
119.08588	21.2
120.08907	2.3
121.10150	17.5
123.08105	3.7
123.11715	21.0
127.07539	2.2
133.10138	4.3
137.13289	3.6
142.71019	2.2
147.11693	52.4
165.12750	20.1
175.85974	2.4
229.14363	3.8
263.23920	3.3
267.15906	100.0
268.16196	5.0
285.16959	69.2
285.20059	4.0
286.17383	4.4
337.27344	68.4
338.27701	5.5
537.22638	2.8
547.39935	53.6
548.40253	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05512	1.3
57.03437	1.6
57.07071	1.7
61.02928	4.8
66.17574	0.6
67.05501	5.6
69.03422	3.2
69.07073	1.5
71.04982	0.5
71.08638	1.4
71.30427	0.6
73.02919	3.8
79.05486	4.1
81.03419	1.4
81.07058	5.8
83.08595	1.0
85.02909	4.9
85.10180	0.9
87.04474	0.8
89.06034	3.4
90.32632	0.5
91.03955	3.7
91.05468	2.8
93.07035	4.3
95.04993	0.8
95.08595	4.5
97.02891	4.2
97.06510	0.6
99.04456	0.7
101.02399	1.8
105.07030	1.2
107.08603	2.1
109.02882	0.7
109.10154	1.3
115.03940	0.5
117.06994	0.6
119.08566	1.1
121.10169	1.5
127.03970	1.1
133.08629	2.0
133.10036	0.7
135.11694	1.5
138.99139	0.5
145.10107	1.4
149.13298	0.6
152.06299	0.6
163.11212	2.0
177.11266	1.1
185.04248	0.6
189.99821	0.5
227.12845	1.3
243.08508	2.0
249.11005	9.9
305.13934	1.0
335.25793	0.8
345.57324	0.6
467.18887	3.8
504.37875	0.8
519.29211	9.5
520.29675	0.8
745.41278	100.0
746.41577	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.05530	1.5
56.39128	1.0
57.03441	1.8
61.02923	5.2
67.05508	4.4
69.03432	2.6
69.07069	2.1
71.30325	1.0
73.02919	3.6
79.05495	5.4
81.03442	1.7
81.07044	4.8
83.04999	1.0
83.08621	1.1
85.02916	3.5
89.06045	1.3
91.03977	3.2
91.05505	3.1
93.07040	6.7
95.08612	6.1
97.02901	6.0
99.04434	1.1
101.02390	2.8
105.07057	1.7
105.75643	0.9
107.04994	0.9
107.08593	2.9
109.10184	1.9
117.07035	1.2
119.08610	1.8
121.10184	3.2
127.03915	1.3
134.51282	0.9
135.11726	3.7
145.10159	3.0
163.11250	3.9
181.12248	1.8
227.12865	3.2
243.08449	3.3
249.10974	10.8
250.11417	1.4
304.30637	1.0
305.13602	2.8
320.52359	1.1
467.18732	12.6
468.18982	1.1
519.29553	6.2
583.35999	1.2
745.41229	100.0
746.41620	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
53.94651	0.4
55.01876	0.6
57.03435	0.4
60.04503	0.6
61.02921	1.2
65.03958	0.6
69.03435	3.1
70.06591	4.7
71.29040	0.5
72.08163	1.7
73.02921	0.5
79.05505	0.5
81.03423	1.5
84.04500	0.8
84.08148	2.1
85.02909	9.3
86.09704	2.1
89.03912	2.4
91.03984	0.5
91.05479	9.9
95.04979	0.6
97.02881	3.5
99.00836	1.7
99.04459	1.1
103.05457	1.3
105.03393	0.6
107.04965	1.4
109.02889	3.2
110.07163	0.8
116.07140	0.4
117.01887	0.3
117.03379	2.8
118.04167	0.9
119.04948	18.3
120.05261	0.7
121.06506	0.6
123.04426	1.6
123.66794	0.3
127.03904	3.4
127.08761	0.3
128.07144	0.3
129.10225	1.6
131.04889	0.6
132.02060	0.5
135.04416	7.5
136.05151	0.3
136.07623	0.7
138.05482	0.6
143.04912	0.4
144.06581	0.4
145.02849	5.6
145.04916	2.5
145.06583	0.4
146.03571	0.5
147.04405	18.0
148.04779	0.6
149.02351	1.0
149.05937	0.6
153.05484	0.7
157.03957	1.5
161.05991	2.3
162.07600	1.4
163.03906	44.3
164.04430	2.4
169.09727	0.5
174.03165	0.5
175.03906	36.9
176.04257	1.7
179.07053	1.8
179.08511	0.4
180.08722	1.9
181.04970	12.8
181.08463	0.4
182.05301	0.5
183.06596	0.4
183.08098	0.4
187.04076	0.3
192.04160	7.8
193.04938	1.5
207.06523	100.0
208.06870	4.6
211.07623	0.6
213.05495	0.6
222.49188	0.3
225.07576	62.9
226.07913	2.8
229.08672	0.6
235.07750	0.3
243.05028	0.6
251.05569	0.9
257.08176	0.5
261.06116	1.7
263.06940	0.6
274.08334	1.3
281.07993	0.6
288.09799	0.4
289.07666	0.6
289.10669	4.6
294.05170	0.4
302.13272	0.3
309.07513	0.9
325.09116	1.4
328.83667	0.3
341.10144	2.0
355.81952	0.3
369.09665	1.6
387.10703	2.0
405.11664	1.4
591.49194	0.4
673.00739	0.3
746.40997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.01862	1.5
56.05024	1.2
57.03429	0.7
60.04528	1.3
60.74313	0.5
61.02930	2.6
65.03946	0.8
67.01094	0.5
67.05460	0.8
69.03430	5.7
69.07085	0.5
70.06204	1.2
70.06590	19.4
71.04984	1.2
71.06919	0.6
71.29967	0.8
72.08151	5.3
73.02904	1.0
79.05479	0.9
81.03412	2.5
84.04494	1.7
84.08138	9.0
85.02905	15.8
86.09701	7.2
89.03925	1.5
91.03949	0.8
91.04954	0.9
91.05478	8.5
92.05839	0.6
95.04951	1.7
97.02892	6.9
98.06034	3.3
99.00806	8.6
99.04455	1.9
103.05474	3.4
107.04946	4.5
109.02881	4.0
110.07165	1.9
115.05446	1.1
115.08653	0.8
116.07101	1.3
117.01851	1.9
117.03365	2.4
117.06989	0.7
119.04931	11.4
121.06527	3.2
123.04420	10.5
125.05972	0.6
126.05522	2.4
127.03903	5.3
128.10721	0.5
129.10220	6.6
130.08621	0.5
131.04042	0.7
131.04887	3.5
133.02824	1.4
134.63060	0.6
135.04411	10.7
136.07568	1.6
137.02353	1.8
137.05962	3.1
139.03920	0.8
139.08723	0.5
140.04697	0.8
141.06979	2.4
143.04945	2.0
143.11768	1.6
144.06558	0.7
145.02861	4.4
145.04950	5.3
145.06429	1.3
147.04407	9.8
149.04857	0.7
149.05966	5.1
153.05469	13.1
153.06960	2.1
154.06068	0.5
155.07053	1.1
155.08440	2.9
159.04398	0.7
161.05975	3.8
162.07567	1.5
163.03897	31.3
163.06013	1.0
164.04268	1.2
165.05473	1.9
165.06989	7.4
167.07040	2.5
167.11754	1.2
168.05742	1.1
169.06451	2.9
171.07664	0.6
171.11269	0.9
173.05959	1.4
173.09290	0.9
175.03885	15.2
176.04356	1.0
177.05467	0.8
179.07014	1.5
179.08569	1.3
180.08727	1.4
181.04933	5.6
181.06511	2.1
182.07265	0.9
183.08031	11.1
184.08458	0.6
185.06000	1.2
186.06723	0.9
187.03899	1.3
188.04329	0.5
189.05460	1.4
189.06953	0.7
192.04143	3.3
193.04895	2.1
193.06325	2.4
195.11252	1.2
196.05113	0.8
197.05959	5.8
199.07574	1.1
201.09116	2.6
203.10234	2.6
205.04944	2.0
207.04596	2.2
207.06496	49.1
208.06874	2.5
209.06067	0.7
210.06799	0.8
211.07541	11.5
212.07996	1.0
213.05443	3.4
214.06198	1.2
217.04791	0.6
221.06035	2.8
222.06453	0.6
225.05476	2.0
225.07506	19.4
226.08038	0.8
227.06961	1.4
228.07814	1.1
229.08575	10.8
230.08823	0.8
231.06462	2.7
233.04227	0.7
234.06795	1.1
235.07538	5.1
238.06400	1.2
239.07027	3.0
241.04958	3.1
242.05515	0.9
243.06458	0.7
243.10100	1.2
247.07626	0.6
249.05504	1.3
249.07724	0.7
250.06207	0.8
253.08461	4.0
254.09087	0.6
255.06522	0.8
256.07187	0.5
257.08066	19.4
258.08728	2.5
261.11383	0.9
262.06256	1.8
263.07007	5.8
264.07709	0.5
265.04846	0.6
265.08530	0.6
266.05688	4.2
267.06360	1.0
270.14493	0.6
271.09821	0.9
274.08344	39.5
275.08722	2.1
277.04800	1.0
279.06509	1.7
280.07242	1.5
281.08069	9.7
282.08453	0.9
288.09875	8.0
289.10681	100.0
290.05862	1.2
290.11011	7.5
291.06458	2.3
294.05307	2.5
295.05881	1.6
295.09494	0.9
298.08276	0.7
300.15472	1.7
307.06021	0.8
307.11707	1.7
308.06805	1.3
309.03961	0.7
309.07504	12.5
310.08020	2.6
311.05276	1.0
313.10681	4.4
323.05472	1.0
323.08878	4.1
326.07800	1.6
336.06201	1.4
337.07040	1.0
341.10181	27.3
342.10425	2.4
351.08640	1.6
354.07355	2.7
359.10773	1.3
369.09665	29.9
370.09998	1.9
387.10703	27.1
387.15878	1.0
388.10989	2.5
397.20767	1.7
405.11890	6.4
406.12115	0.9
494.26019	1.5
591.31287	3.8
614.29633	0.7
642.15076	0.6
746.39233	3.4
747.39709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69270	0.8
55.05516	1.8
57.07079	28.6
59.05014	0.9
67.05513	1.6
69.07075	4.1
71.08635	25.6
73.02933	0.9
73.06564	9.8
81.07056	2.1
83.08624	3.5
84.20707	0.8
85.10186	15.3
86.09696	1.3
87.04469	10.6
89.06034	100.0
90.06367	1.4
93.07057	0.9
95.08613	1.5
97.10171	3.8
98.22636	3.7
99.11718	2.6
107.07069	2.0
109.85226	1.0
111.11732	2.4
113.13279	2.7
117.09135	7.4
125.13302	1.9
127.14820	1.6
127.99854	1.0
130.08644	1.8
131.07047	2.7
133.08609	53.1
135.10234	1.0
143.08504	1.0
161.11743	2.6
175.09651	2.1
177.11230	21.5
178.11646	0.9
183.21107	3.9
183.86908	1.0
184.07355	3.4
202.11180	0.9
221.11931	0.9
221.13858	5.1
227.23753	2.8
229.42046	1.4
251.00024	1.0
264.48929	0.9
271.26270	5.6
283.17697	1.4
293.21136	1.2
315.29083	2.5
547.33130	2.0
551.77435	1.0
605.47687	2.8
746.57202	1.7
747.42944	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	747.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41372	0.5
56.97556	0.5
62.82082	0.6
66.81269	0.7
67.05487	0.5
69.58911	3.2
70.06579	1.3
75.53155	0.5
93.61758	0.5
95.08588	0.8
98.22604	0.6
102.53683	0.5
109.10169	0.5
120.08127	0.8
127.37369	0.6
138.09309	0.5
156.83345	0.5
166.08575	0.8
189.10301	1.3
197.10747	1.6
198.11438	0.6
199.08600	0.9
209.10754	6.0
210.11429	3.0
211.08742	1.4
211.12372	2.5
212.13065	1.4
213.10217	0.9
223.12325	0.6
225.10277	3.7
226.10968	1.7
227.11781	3.7
228.12521	0.7
237.10298	2.5
238.10875	3.1
239.11783	4.6
240.12585	3.7
241.13356	1.7
242.10458	1.3
243.11295	1.0
251.11838	2.4
253.13306	2.8
254.14059	0.6
255.11362	1.3
255.14844	0.7
256.12198	1.2
257.12720	1.3
267.11502	1.1
269.12848	5.2
271.10895	1.8
271.14478	7.7
272.11285	0.7
279.11417	0.7
281.12921	1.3
283.10831	1.2
284.11658	1.5
285.12366	1.8
286.13141	2.5
287.13727	1.4
297.12335	33.0
298.12778	2.5
299.13898	28.4
300.14288	3.0
301.12372	1.1
301.15594	1.9
302.12723	0.6
302.16556	0.8
316.14560	2.8
324.11740	0.6
328.14554	1.2
329.14990	0.8
330.15884	3.1
331.16748	3.1
332.17685	1.0
344.17578	9.4
345.18173	1.4
346.19189	2.5
360.20560	3.6
389.17377	0.7
390.17978	2.7
402.18182	1.0
403.18893	1.6
404.19724	4.3
405.20190	1.0
419.21939	0.9
437.19791	1.2
448.18625	0.9
451.21341	0.7
452.22452	0.8
462.20258	10.1
463.21005	4.2
464.21677	0.8
467.24591	0.7
497.21738	1.2
525.25165	0.7
567.25635	1.0
568.24835	0.7
570.24640	1.4
584.26245	1.6
585.27045	100.0
586.27386	15.8
586.36603	1.0
747.31616	8.2
748.32410	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83719	1.3
55.05522	1.8
57.03434	2.1
61.02926	5.7
67.05522	3.1
68.87589	1.4
69.03436	2.5
73.02928	4.0
79.05511	2.2
81.03407	1.7
81.07078	5.0
85.02918	4.2
91.03996	3.0
91.05507	2.4
93.07054	3.7
95.08635	3.7
97.02898	2.9
105.07043	2.0
127.04033	2.1
130.11003	1.3
147.11809	2.4
396.26334	1.5
469.20471	10.4
516.28290	1.5
519.29407	6.9
747.42841	100.0
748.43079	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.8
56.05039	8.1
58.06594	5.4
60.04536	15.4
69.03425	1.9
69.04555	4.8
69.07065	10.3
69.25630	8.6
70.02950	2.8
70.06585	11.4
72.04523	2.5
72.08159	66.6
73.08462	1.8
74.06084	20.8
75.05608	17.4
76.04002	1.3
83.06118	1.8
84.04494	8.3
84.08153	12.9
85.02918	4.0
86.06084	7.5
86.09711	100.0
87.05607	6.8
87.10044	1.5
88.03985	1.6
91.05484	3.0
96.04476	3.3
96.08127	2.3
97.03981	1.1
98.09694	13.7
98.22618	2.5
99.05598	8.8
101.07134	6.2
102.05556	1.7
103.33736	1.3
109.03980	1.5
110.07150	4.2
110.09671	2.9
111.05560	3.1
112.07687	1.0
112.11184	1.3
113.07137	11.6
115.05043	9.5
115.08700	1.4
116.03481	1.6
116.07114	1.9
116.49315	1.1
117.06622	10.6
119.04932	5.3
120.06559	1.6
120.08107	1.6
125.03471	1.5
125.07105	1.9
126.09158	1.4
127.05045	20.1
127.05969	1.6
127.12344	3.7
128.10727	5.2
129.06566	3.5
129.10245	5.7
130.05020	3.7
131.08202	3.8
132.07664	1.5
136.07559	3.7
137.03534	2.1
138.06619	2.1
138.09111	2.4
139.05031	9.3
141.06578	15.1
143.11800	56.7
144.07712	1.4
145.02879	1.4
145.05023	2.5
145.06090	24.1
147.04410	3.7
153.06613	4.3
153.10231	2.9
154.06078	1.9
155.04510	2.2
155.08160	2.2
155.11829	11.3
156.07709	9.0
157.06128	5.9
157.09607	1.7
158.09259	5.1
159.07689	11.7
163.03888	9.3
164.04247	4.2
166.06149	4.9
166.81863	1.4
167.04515	2.2
167.11909	3.2
168.07730	2.3
170.09296	6.7
171.07558	1.7
171.11311	17.0
172.07204	2.3
173.12869	13.4
175.03943	7.8
176.04311	3.7
181.04913	1.8
181.09779	2.8
182.05321	1.4
183.07584	1.4
183.11324	3.4
184.07185	13.9
185.11261	1.7
185.12828	10.2
186.12746	1.3
188.10306	2.4
195.11333	3.5
196.07149	5.9
197.16542	9.9
198.08736	24.0
199.08981	1.4
199.10803	3.0
199.14401	3.7
201.12329	9.5
202.08240	9.4
206.05550	1.5
207.06520	19.0
208.06947	10.0
209.06979	1.8
210.08813	1.9
212.13953	7.1
213.09903	4.6
213.12372	5.3
214.08311	3.0
215.11497	3.6
216.09872	7.7
219.11176	1.6
219.13437	3.5
222.08647	2.8
222.12457	2.1
223.10901	1.3
224.06610	2.1
224.14000	1.2
225.07570	12.5
225.16095	1.5
226.07979	5.3
227.08130	4.5
228.13402	3.9
239.11525	1.5
240.09846	3.4
240.13425	5.5
241.09309	4.5
250.08212	2.8
252.13420	5.6
255.10997	2.2
256.13019	2.8
258.14450	2.9
259.10446	5.8
267.10913	5.8
269.16202	8.8
270.14462	3.9
277.09140	2.2
279.10828	3.4
285.12054	6.6
287.16931	1.8
296.13519	1.6
297.11917	3.3
297.15573	7.0
302.17023	2.0
303.13016	2.6
306.11734	1.4
307.10565	2.8
309.15512	1.8
314.14731	1.4
315.13229	1.7
315.16452	6.8
316.12524	1.6
324.13000	8.0
327.16718	2.4
335.12561	1.5
337.15073	1.4
342.14203	8.1
344.19150	4.3
354.17917	2.8
356.19180	3.7
360.15253	3.2
366.17590	1.9
381.15100	2.7
384.18768	5.2
399.16235	2.6
401.21426	3.8
402.19955	4.0
410.20392	2.1
411.19833	6.9
413.21570	1.9
416.21384	2.9
423.19897	2.9
429.21176	3.2
434.22147	2.8
437.21457	1.4
441.20905	19.0
450.04214	1.3
459.21970	7.5
468.22110	4.4
480.22131	2.3
484.25156	2.9
494.23727	9.2
498.22919	5.7
502.26077	4.3
509.27155	2.7
512.24677	25.9
513.25043	2.9
516.24066	3.5
521.25647	2.9
530.25793	8.2
560.26440	5.5
567.28503	2.7
575.29333	2.7
578.27606	11.9
583.31848	8.3
583.79309	1.3
593.30396	15.9
594.30054	2.2
601.32837	11.4
611.31464	50.6
612.31744	5.9
629.32446	20.9
630.32428	2.5
712.35669	4.3
730.37280	14.0
731.38586	1.4
748.38531	31.6
749.38171	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	749.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
53.74134	0.2
55.01841	0.2
69.03424	0.5
69.91801	0.4
69.92180	0.5
70.06584	0.3
77.03937	0.2
79.05491	2.0
81.03403	0.4
85.02898	0.5
95.04962	1.6
97.02885	0.4
105.04507	0.9
107.04958	100.0
108.05298	3.0
109.02908	0.2
109.73264	0.2
129.03146	2.6
167.06798	2.1
168.07132	0.2
181.63264	0.2
183.11322	0.2
185.02695	0.3
185.04227	4.3
185.54509	0.2
195.06293	3.9
203.05339	0.3
213.07339	33.8
214.07729	1.0
233.00223	0.2
238.38760	0.2
309.09366	0.6
313.11743	0.4
329.12146	0.3
357.11633	0.3
375.12613	2.9
419.16885	1.5
435.16187	1.1
453.13852	0.3
463.15778	1.6
481.16815	42.3
482.17062	3.5
482.23447	0.3
537.19147	0.2
587.20868	0.2
643.22083	3.9
644.21906	0.6
749.26233	21.8
750.26715	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	749.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
57.03444	1.6
61.02921	5.0
67.05511	3.7
69.03424	3.0
69.06351	4.2
69.07080	1.4
71.04967	0.5
73.02926	3.5
79.05501	1.8
81.03428	1.1
81.07055	5.9
83.08619	1.1
85.02900	3.3
87.04498	1.2
91.03954	3.5
91.05501	1.6
93.07046	1.9
93.75874	0.5
93.76484	0.4
95.08594	2.8
97.02909	3.3
97.10140	0.5
99.04470	1.1
101.02386	2.1
101.04459	0.5
103.03928	0.6
105.07056	0.7
107.08584	1.0
109.02887	0.6
109.10181	0.8
113.62886	0.5
119.08600	1.4
121.10154	1.1
123.11743	1.3
125.40165	0.5
127.03928	1.4
138.80989	0.5
147.11664	3.0
165.12788	1.6
165.87173	0.5
185.04181	0.6
203.05316	1.0
237.46602	0.5
243.08476	1.2
251.12646	1.5
307.15182	0.7
337.27286	0.6
469.13965	0.4
469.20395	9.3
470.20825	0.7
521.30920	5.0
749.44373	100.0
750.31213	1.0
750.44611	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	749.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03522	0.9
55.05518	2.4
57.03438	2.1
57.07092	2.1
61.02924	8.6
67.05508	7.2
69.03429	4.7
69.07081	2.2
73.02921	5.3
79.05501	4.4
81.03404	1.6
81.07041	8.6
83.08617	1.4
85.02912	5.5
87.04490	3.5
89.06052	1.4
91.03967	3.5
91.05506	3.7
93.07034	6.2
95.05007	1.2
95.08608	6.9
97.02906	4.6
98.23397	2.2
101.02407	2.7
105.07033	5.4
107.08626	3.0
109.02898	1.3
109.10168	2.0
119.08568	1.4
121.10152	2.4
123.11711	1.8
127.03882	2.3
131.08606	1.6
133.10161	1.7
135.11746	1.7
145.10115	1.0
210.41125	1.1
229.25023	1.2
243.08440	3.3
427.19437	6.1
428.20175	1.2
471.21933	1.4
502.05716	1.0
519.29242	9.9
580.97852	1.1
705.41956	6.8
706.41748	1.6
749.44360	100.0
750.44684	16.6
760.24359	1.1
778.12415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03522	0.9
55.05518	2.4
57.03438	2.1
57.07092	2.1
61.02924	8.6
67.05508	7.2
69.03429	4.7
69.07081	2.2
73.02921	5.3
79.05501	4.4
81.03404	1.6
81.07041	8.6
83.08617	1.4
85.02912	5.5
87.04490	3.5
89.06052	1.4
91.03967	3.5
91.05506	3.7
93.07034	6.2
95.05007	1.2
95.08608	6.9
97.02906	4.6
98.23397	2.2
101.02407	2.7
105.07033	5.4
107.08626	3.0
109.02898	1.3
109.10168	2.0
119.08568	1.4
121.10152	2.4
123.11711	1.8
127.03882	2.3
131.08606	1.6
133.10161	1.7
135.11746	1.7
145.10115	1.0
210.41125	1.1
229.25023	1.2
243.08440	3.3
427.19437	6.1
428.20175	1.2
471.21933	1.4
502.05716	1.0
519.29242	9.9
580.97852	1.1
705.41956	6.8
706.41748	1.6
749.44360	100.0
750.44684	16.6
760.24359	1.1
778.12415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01877	0.8
55.05514	13.8
56.05030	1.6
57.03160	0.6
57.03439	11.2
57.07072	2.8
61.02932	4.9
65.03932	2.7
67.05506	56.5
68.05833	1.1
69.00535	1.7
69.00957	2.6
69.03432	1.7
69.07067	16.3
70.07418	0.6
71.04996	2.2
71.08623	1.7
72.04529	2.9
73.02915	1.6
78.70129	0.5
79.05494	39.9
80.05828	0.8
81.03437	2.0
81.07059	65.4
82.06571	0.5
82.07400	1.8
83.04980	3.8
83.08622	9.4
84.04513	1.7
85.02906	3.8
85.06552	2.8
87.45451	0.5
91.03938	1.3
91.05480	20.9
92.63425	0.5
93.07047	49.1
94.07394	1.5
95.04971	4.4
95.08609	31.7
96.04531	0.6
96.08953	1.0
97.02910	2.8
97.06530	5.0
97.10162	1.6
99.08086	1.9
102.05547	3.6
103.03864	0.5
103.05451	0.7
105.04511	1.1
105.07030	11.9
106.06541	0.5
107.04971	0.7
107.08595	29.4
108.08878	0.7
109.02888	0.8
109.06528	1.6
109.10161	10.3
111.08090	2.7
115.65057	0.5
117.07018	6.3
119.08586	6.6
120.08089	0.8
121.06513	1.1
121.10149	15.7
121.11015	0.9
122.09695	0.6
122.10496	0.5
123.08078	0.9
123.11716	9.1
127.03868	0.6
129.06996	0.6
131.08563	9.9
132.08884	0.5
133.10126	11.7
135.08022	1.1
135.11691	10.7
136.12154	0.5
137.09622	0.8
137.13263	1.2
145.10141	2.8
147.11711	3.3
149.09692	0.7
149.13257	18.9
151.11198	1.0
158.09641	0.5
159.11703	10.0
161.13240	1.9
163.14868	1.3
169.10109	1.0
173.13188	2.5
175.14743	1.0
177.12758	3.4
177.16428	0.6
186.12828	0.7
187.14789	1.0
194.15532	0.5
195.13797	14.0
196.14084	0.8
204.13838	2.2
213.14876	1.1
222.14903	2.1
233.22574	0.5
240.15909	6.7
241.16254	0.6
242.09584	0.5
243.21085	4.0
261.22141	11.0
262.22430	0.8
269.17487	10.4
270.17807	0.5
288.23151	0.8
296.18564	67.6
297.18951	4.5
317.24777	2.1
317.28201	0.5
335.25797	100.0
336.26117	8.0
389.21347	0.5
437.33942	1.0
482.36282	1.1
529.38879	10.6
530.39124	1.6
547.40057	0.6
556.39960	28.7
557.40356	3.3
574.40991	17.1
575.41315	2.8
716.41675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.5
67.70621	0.5
68.05017	1.0
68.99766	1.4
69.00171	4.2
70.02946	8.5
70.06587	67.0
71.06911	0.7
72.08168	1.4
74.14670	0.5
81.04527	0.6
82.05324	1.4
83.06088	4.3
84.08129	2.1
85.04010	2.2
86.09690	1.2
87.05586	23.7
88.03970	1.8
93.04488	2.9
95.06086	5.0
96.04491	1.4
97.03976	1.4
98.02412	4.7
99.05571	2.2
100.03962	2.6
101.07108	0.7
103.05433	1.0
109.07622	0.6
110.07158	100.0
111.05578	0.7
111.07484	2.0
113.03476	1.8
113.07096	1.1
115.05018	1.3
116.07092	3.7
120.08097	28.4
121.08419	1.3
123.05553	1.4
124.03948	4.7
125.03487	3.2
127.05034	0.8
129.06616	0.7
129.10197	1.9
130.06511	2.3
132.08009	0.7
136.07539	1.0
138.06610	2.7
139.04990	1.8
141.06577	2.4
142.06110	6.5
150.01881	0.7
150.06557	1.1
151.04973	1.0
152.03477	0.7
153.06525	0.8
156.07674	95.9
157.06032	0.8
157.07947	2.0
158.09276	1.9
162.10220	4.8
166.06084	6.0
167.04506	8.3
168.07675	1.4
169.06064	4.7
170.05632	2.6
172.11232	0.7
177.06586	0.8
177.10173	1.4
178.06104	1.6
181.06125	1.4
184.07178	15.3
186.08734	5.6
191.12863	2.2
195.03999	10.8
195.08789	2.1
196.07146	6.1
201.09830	2.8
207.12402	4.7
208.07124	1.9
211.08142	1.1
212.06648	13.8
212.10068	0.5
213.06941	0.9
213.10091	0.6
214.79761	0.6
217.13326	0.8
220.07170	1.8
221.05643	2.9
224.06635	2.4
225.09882	0.7
226.08234	1.8
227.11809	0.7
229.09300	19.3
230.09544	0.8
235.11884	51.9
236.12265	2.1
238.08238	4.8
241.09326	3.0
243.11021	1.3
244.10851	1.1
245.12943	0.6
248.06682	0.9
253.09460	2.7
253.12938	93.8
254.13127	3.9
255.10979	2.3
258.12189	0.7
265.09348	2.6
266.07654	6.5
267.10962	1.3
271.10385	1.9
272.13501	0.6
282.11972	1.6
283.10376	6.4
285.12213	0.6
295.10379	1.3
298.11496	0.6
300.12985	8.0
312.12970	1.5
323.09738	2.2
331.14233	1.3
340.12405	3.9
357.15204	7.7
366.67294	0.6
367.17480	0.9
400.19833	2.2
402.17813	1.6
442.17291	1.6
457.21872	5.5
458.21881	0.8
459.19693	2.3
460.20340	0.7
470.16669	2.0
476.22440	4.1
487.19345	3.6
504.22055	5.5
505.22556	0.7
528.25647	4.7
556.24896	0.6
573.27161	0.9
584.24670	1.6
601.27399	0.8
642.30042	1.0
653.26813	0.7
738.32373	1.0
739.31439	6.2
740.31616	1.3
756.34052	37.7
757.34180	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	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.7
57.07073	0.3
58.06609	0.3
60.08165	7.2
67.01103	0.2
67.05503	0.2
69.56824	0.4
69.57178	1.0
71.07375	3.6
75.70051	0.2
77.59081	0.2
79.05479	0.2
81.07066	0.3
86.09707	33.2
87.10029	0.5
93.07020	0.3
94.57951	0.2
95.08619	0.3
98.22616	0.3
98.23173	0.5
98.98464	3.8
104.10747	2.1
105.00002	0.2
125.00004	22.6
139.57161	0.2
143.01100	0.2
144.34915	0.2
147.14592	0.2
184.07344	100.0
185.07646	1.4
260.56467	0.2
262.77948	0.2
313.27438	0.2
744.62573	0.2
756.55347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
56.05035	0.4
57.07067	0.5
58.06625	0.5
59.07385	0.2
60.08163	5.5
65.00056	0.2
67.05490	0.5
69.07065	0.3
71.07374	3.4
71.08612	0.3
79.05486	0.4
81.07060	0.4
86.09705	28.3
87.10036	0.4
89.05989	0.2
91.05499	0.3
93.07055	0.4
94.93883	0.1
95.08614	0.5
98.22781	1.2
98.23463	0.4
98.98463	3.1
104.10755	2.2
109.10198	0.2
113.92265	0.2
115.82637	0.2
121.10246	0.2
123.84906	0.2
125.00003	20.4
143.01045	0.3
159.11685	0.1
184.07341	100.0
185.07701	1.7
185.53566	0.1
199.98714	0.2
203.10718	0.2
210.45831	0.2
229.41200	0.3
259.16910	0.8
299.25665	0.3
335.25735	0.3
496.33792	0.2
647.68506	0.2
756.55475	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	756.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82753	0.1
56.05035	0.6
57.07067	0.1
58.06321	0.2
58.06633	0.5
59.07389	0.1
60.08164	4.9
67.05497	0.2
69.03397	0.2
69.03716	1.0
69.07035	0.1
70.06561	0.1
70.44138	0.1
71.07373	2.8
78.55242	0.1
79.05486	0.2
81.07061	0.3
86.09704	22.8
87.10039	0.3
91.05510	0.2
93.07040	0.2
95.08605	0.2
98.98463	3.0
104.10736	1.5
115.01737	0.1
119.53622	0.1
124.99999	15.9
143.01070	0.2
184.07336	100.0
185.07680	1.9
197.99055	0.1
241.35480	0.1
311.43048	0.1
496.33432	0.2
756.55322	2.0
757.54639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05510	12.4
56.05040	3.2
57.07065	8.8
59.41681	1.4
61.02911	1.3
67.05505	9.7
69.07064	14.4
70.06592	1.4
71.08624	7.2
79.05499	7.7
80.05006	2.6
81.05805	1.6
81.07043	8.0
81.71394	1.4
82.06591	3.7
83.08614	13.3
85.10187	2.8
86.09686	2.7
91.05496	6.5
93.07051	5.4
94.06574	15.0
95.07343	4.7
95.08591	6.7
96.08152	1.8
97.10174	21.6
105.07033	4.0
107.08595	3.2
108.08107	2.4
109.10168	3.7
111.11737	10.0
119.08603	3.9
121.10159	3.0
124.86079	1.4
125.00035	2.0
125.13297	6.9
133.10095	2.3
135.11676	3.2
139.14830	1.8
153.16428	2.6
184.07384	6.5
202.88333	1.4
209.22533	2.1
220.06413	1.6
233.22627	2.5
245.22636	3.1
250.25352	8.2
262.25302	100.0
263.25668	5.4
269.24826	2.6
280.26120	7.4
310.02759	1.6
434.80399	1.3
498.46939	1.9
516.47449	2.7
546.48602	4.8
558.48602	8.0
560.50366	4.5
576.49756	9.1
717.16364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84599	0.4
53.03938	1.3
55.05502	1.4
57.03428	2.3
57.28229	0.4
59.04990	0.5
59.82005	0.6
60.08167	2.4
61.02929	7.3
65.03957	0.5
67.05505	6.9
69.03422	4.5
69.07056	2.5
69.13590	0.4
71.04986	0.9
71.07352	0.8
72.28302	0.5
73.02912	4.8
77.91582	0.5
79.05485	4.8
81.03418	2.1
81.07056	8.7
82.61647	0.6
83.04959	0.7
83.08622	1.2
85.02902	6.7
86.09698	8.9
87.04475	0.5
91.03944	5.0
91.05454	2.8
93.07037	6.4
94.04081	0.4
95.04949	0.8
95.08598	4.9
97.02893	5.8
97.06551	0.8
97.10144	0.6
98.98473	1.7
99.04475	0.6
101.02372	3.1
103.03890	0.4
104.10752	0.9
105.07050	1.4
107.08610	3.4
109.02904	1.2
109.10159	1.7
111.08112	0.7
115.03928	0.8
115.27264	0.4
117.07043	0.7
119.08583	1.3
121.10117	2.5
123.11707	1.3
124.99990	6.2
127.03922	1.9
131.08580	1.3
133.10149	1.3
135.11711	0.8
145.10074	1.0
147.11783	0.4
149.13280	1.9
151.42879	0.4
159.11667	1.2
184.07333	33.8
185.07706	1.4
195.13829	1.2
203.05377	0.5
228.87552	0.5
229.17859	0.4
243.08470	2.0
262.14288	0.6
335.25836	1.2
344.81161	0.5
394.16791	0.4
453.21075	2.7
480.22012	2.7
503.37744	1.4
519.29211	9.8
520.29639	1.3
528.97321	0.5
561.41553	0.8
758.44409	100.0
759.44666	19.1
787.59247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01876	0.4
55.05517	1.0
55.38345	0.2
57.03440	2.3
60.08171	0.4
60.24487	0.3
61.02930	6.9
61.03228	0.6
65.36601	0.3
67.05503	5.9
69.03432	3.4
69.07065	1.3
71.01363	0.4
71.05007	1.0
72.04525	0.3
73.02913	4.6
79.05493	3.8
81.03416	1.6
81.07057	7.4
81.07523	0.4
83.05003	0.4
83.08637	0.9
84.04545	0.3
85.02903	4.9
86.09702	2.6
87.04478	0.6
91.03956	3.6
91.05471	2.4
93.07042	5.1
95.04977	0.4
95.08612	3.3
97.02892	4.4
97.06523	0.5
99.04477	1.0
101.02372	2.5
102.05540	0.4
103.03981	0.4
105.07054	1.2
107.08601	2.6
109.02897	0.6
109.10133	1.5
111.08134	0.6
115.03958	0.4
117.07044	0.8
119.08594	0.6
121.10138	1.9
123.11747	1.0
125.00011	1.4
125.37885	0.3
127.03901	1.7
129.05525	0.3
131.08598	1.2
133.10121	1.4
135.11670	1.4
145.05032	0.4
145.10155	0.4
149.13242	2.2
159.11754	0.9
177.12828	0.6
184.07347	9.1
184.08865	0.6
195.13805	1.0
218.49435	0.3
235.13104	0.3
243.08401	2.3
262.14255	0.7
296.18875	0.4
335.25824	0.4
453.20987	4.4
454.21460	0.3
480.22083	6.7
481.22357	0.6
519.29260	5.7
520.29633	0.4
731.43103	0.4
758.44464	100.0
759.44745	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.26805	1.8
55.01869	10.8
55.05516	13.4
57.03437	12.8
57.07084	1.9
60.08156	6.3
61.02907	2.2
65.03963	2.6
67.05137	3.0
67.05499	60.7
69.03430	16.3
69.07066	14.0
71.04995	3.7
71.07359	3.7
73.02913	2.1
73.06528	1.6
79.05485	38.8
81.03435	2.1
81.07049	50.3
83.04974	33.8
83.08617	6.7
85.02902	5.4
85.06557	3.4
86.09702	33.8
87.04461	1.7
91.03951	1.7
91.05456	19.2
93.07041	50.0
94.07378	2.0
95.04980	8.5
95.05495	1.5
95.08598	32.0
97.02902	1.6
97.06521	6.8
97.10163	3.2
98.98457	2.6
99.04446	6.0
103.99051	1.4
105.07014	11.3
107.04951	5.4
107.08583	27.1
109.06467	1.9
109.10151	23.7
111.04439	68.8
111.08083	23.4
117.07027	6.3
119.08578	15.5
121.06580	3.1
121.10136	28.4
123.08129	1.7
123.11684	2.9
124.99982	17.8
125.06016	3.2
125.09639	2.6
129.07010	3.4
131.08575	12.9
131.42015	1.5
133.10147	7.0
135.08072	1.6
135.11688	29.7
136.04619	1.5
145.10107	18.7
147.11673	8.6
149.09593	6.5
149.13261	3.5
153.12737	36.5
153.13905	3.0
155.07039	5.4
155.08430	2.2
159.11760	3.7
161.13226	3.2
163.11186	45.2
173.08272	2.0
173.09610	10.7
173.13255	3.4
175.14769	1.9
181.12224	47.4
182.12584	1.5
184.07338	100.0
185.07703	3.4
191.10657	35.5
191.12263	2.9
209.11649	10.7
218.23061	1.6
227.12784	47.1
228.13133	2.3
243.21092	3.3
261.22113	17.2
283.15384	99.7
284.15750	5.5
301.16443	59.8
301.19861	3.0
302.16864	3.7
317.24683	4.1
335.25781	81.7
336.26172	6.2
451.32629	1.7
543.36505	10.0
544.35345	2.0
561.37823	95.5
562.38196	13.8
758.42346	3.9
758.55511	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01870	12.1
55.05511	12.7
57.03437	7.4
57.07077	1.8
59.05007	1.3
60.08149	4.9
61.02926	2.0
65.03928	2.8
67.05505	53.9
69.03434	1.5
69.07074	9.6
69.30862	7.1
71.04984	5.3
71.07355	2.7
73.02911	1.7
73.04736	1.4
79.05491	34.4
81.03431	1.4
81.07055	40.9
83.04980	36.4
83.08612	8.0
85.02905	5.6
85.06543	3.4
86.09711	20.9
91.05464	17.8
91.05928	1.5
93.07040	42.4
94.07351	1.5
95.04960	5.8
95.08607	29.8
96.08910	1.4
97.02916	2.1
97.06548	10.0
97.10191	1.5
98.98463	2.0
99.04517	2.2
99.08092	3.1
104.10775	1.6
105.07023	10.8
107.04964	4.3
107.07964	0.8
107.08595	22.0
109.06535	1.8
109.10153	21.2
111.04441	69.4
111.08073	21.2
112.04767	1.5
117.07032	6.9
119.08569	12.2
121.06510	3.5
121.10142	27.7
123.08095	2.0
123.11721	3.7
125.00007	16.0
125.06004	3.3
127.03958	1.3
129.07034	2.7
131.08559	13.1
133.10106	4.3
135.08043	2.1
135.11700	29.5
137.13261	2.2
145.06450	1.5
145.10120	19.6
147.08124	1.7
147.11691	8.7
149.09636	5.2
149.13264	3.1
153.12749	36.4
154.13062	1.5
155.08578	3.4
159.11722	3.1
161.13277	1.6
163.11183	47.7
163.14813	1.8
173.09657	9.4
173.13332	2.7
175.14854	1.2
181.12225	48.1
182.12630	1.8
184.07338	85.3
185.07634	1.9
187.14838	3.3
191.10670	36.5
192.10968	1.4
209.11734	12.6
225.04234	1.3
227.12762	63.2
228.13109	2.7
233.22595	1.6
243.21094	3.4
261.22122	18.2
262.22388	1.5
280.93454	1.3
283.15399	100.0
284.15756	6.3
301.16446	64.8
302.16794	4.9
317.24628	3.5
335.25797	64.5
336.26315	5.5
451.31897	1.7
469.33267	1.4
487.33987	1.4
543.36658	12.9
561.37823	61.9
562.38568	8.4
631.91791	1.4
706.77838	1.4
743.95715	1.2
758.56964	1.7
774.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01868	2.0
55.05511	15.6
57.03442	6.0
57.07079	2.2
59.04989	1.4
60.08170	2.1
61.02919	3.8
62.35172	0.8
64.57687	0.8
65.03939	3.1
67.05503	67.4
68.05849	1.6
69.03439	2.2
69.07064	13.4
69.07416	1.1
71.04993	22.6
71.05371	1.5
71.07394	1.1
71.08633	0.9
79.05492	37.5
79.71244	0.8
80.05834	1.2
81.03435	2.0
81.07054	100.0
82.07394	1.2
83.04988	2.9
83.08611	8.4
85.02921	2.8
85.06548	6.9
86.09704	16.4
90.10844	0.8
91.05474	28.9
92.05789	0.9
93.07040	39.8
95.04980	4.3
95.08600	25.6
97.02906	1.6
97.06538	4.9
97.10199	2.8
98.22556	1.9
98.98463	1.6
99.08128	1.6
104.10784	1.3
105.04469	1.1
105.07027	17.1
106.73328	0.8
107.08589	22.7
109.06516	2.2
109.10155	15.0
111.08087	2.5
117.06998	5.5
119.08576	10.1
121.10146	15.3
123.08016	1.6
123.11708	13.6
125.00005	10.3
129.06976	1.0
131.08569	9.4
133.10138	16.7
134.10439	1.2
135.11697	9.3
143.08595	1.0
145.10130	3.8
147.11636	4.3
149.13246	5.7
151.11201	5.6
153.12773	1.3
157.10092	1.1
159.11745	5.6
161.13280	2.7
163.14903	0.8
169.12196	0.9
173.13252	4.1
177.12744	1.8
180.61177	0.8
183.13843	2.9
184.07343	43.8
185.07597	1.5
185.13332	1.1
187.13289	3.1
187.14830	1.6
195.13846	1.7
200.16101	0.7
217.82701	0.8
227.16521	1.8
228.88245	0.7
243.21127	0.7
251.20035	0.7
253.18048	1.1
255.07355	0.8
257.17523	1.9
261.22153	2.6
263.99704	0.9
269.17416	4.9
301.20056	19.9
302.20493	1.6
317.24765	1.2
335.25763	19.6
336.26178	1.9
411.32593	1.1
485.36197	3.4
503.37299	74.4
504.37552	9.6
511.37952	0.9
517.38770	3.2
529.38831	8.9
530.39374	2.0
561.41473	63.9
562.41705	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	758.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
56.05043	4.6
57.03023	2.8
57.07082	3.9
60.69088	2.9
67.05521	6.7
69.07069	11.8
71.07402	3.8
77.10190	2.3
77.50476	2.6
79.05492	4.9
80.30280	2.8
81.07071	8.3
82.06590	14.0
83.08618	15.1
85.36098	2.9
86.09715	32.2
93.07026	3.8
95.08625	7.0
97.10187	12.6
109.10150	4.5
111.11721	8.6
121.10192	3.2
124.49599	2.9
125.00017	22.7
184.07368	93.8
185.07545	3.5
224.93918	3.0
228.74706	3.4
252.26961	11.5
264.26892	100.0
265.27509	5.8
282.27814	6.2
405.17148	3.6
405.22232	3.5
548.50049	7.5
601.50635	3.4
624.66650	2.8
741.92767	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	760.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	2.0
61.02923	1.6
70.06599	3.1
72.08160	1.3
79.05489	2.4
81.03445	7.8
85.02928	8.3
86.09727	2.0
90.61697	1.3
98.22562	2.9
103.05468	2.2
107.04996	8.6
115.05463	5.5
117.07035	15.1
120.19540	1.2
123.04456	2.0
125.25648	1.4
126.96992	1.4
127.03955	1.5
127.92005	1.1
129.07018	1.9
131.08574	1.8
133.06555	1.5
140.29123	1.5
144.05698	2.0
145.06493	37.3
146.06874	1.6
147.08011	1.5
152.04610	1.3
155.06039	4.7
156.05649	6.3
157.06468	1.6
159.08086	4.8
161.06049	2.0
167.07047	39.6
168.07410	2.0
173.05992	61.3
174.06487	1.7
175.07483	2.0
180.08748	1.3
184.05223	2.0
187.07553	4.8
190.06244	38.7
191.06883	2.9
202.06281	3.5
203.07082	4.9
205.08600	100.0
206.09016	2.9
207.06552	1.6
211.07600	1.5
215.07005	1.8
217.08606	45.8
218.09003	3.0
219.08197	1.3
219.10191	3.3
223.09642	3.1
228.98328	1.6
235.09665	31.4
235.12042	1.9
247.07510	2.1
247.09657	6.6
248.08133	1.3
263.10687	1.3
265.10718	43.6
266.10953	2.2
291.10294	2.1
315.08600	3.4
316.09152	1.4
330.10968	6.8
331.11801	4.4
336.10156	1.5
351.12317	3.1
371.14871	1.8
383.14938	13.6
384.15302	2.2
401.15967	16.1
402.16141	1.2
559.31110	1.4
653.80334	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	760.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.07075	27.5
59.04982	1.0
60.08161	0.7
63.16481	0.7
67.05492	0.9
69.00582	1.9
69.00996	4.0
69.07075	4.2
69.44775	0.6
69.87601	0.6
71.05002	0.6
71.08632	30.9
73.06176	0.8
73.06557	10.0
78.11472	0.6
81.07063	1.2
83.08621	4.6
85.10182	18.1
86.09698	1.8
87.04465	11.6
87.04971	0.9
89.06030	100.0
90.06364	1.4
91.07605	1.1
94.11707	0.7
95.08628	0.9
97.10175	5.2
99.11732	2.3
106.34322	0.6
107.07095	3.1
111.11716	2.6
113.13302	2.0
117.09123	7.6
124.99974	1.3
125.13259	2.1
127.14822	1.8
130.08629	1.9
131.07072	2.4
132.90405	0.7
133.08600	52.1
134.08936	0.8
135.10205	1.3
139.14824	0.7
141.16414	1.3
158.53819	0.6
161.11696	1.7
175.09671	2.3
177.11224	18.7
178.11668	0.6
184.07352	9.1
185.07692	1.4
186.07744	0.9
197.22646	2.2
221.13841	3.4
239.15062	0.7
241.25317	2.4
265.16644	0.8
283.17557	1.7
285.27893	5.9
327.19922	0.8
329.30405	4.0
399.11029	0.6
456.98224	0.7
495.66446	0.6
571.46765	1.3
743.55237	0.8
760.57275	2.2
780.19769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.67818	0.4
55.05519	2.6
56.05021	1.0
60.05649	6.0
61.54109	0.5
67.05489	0.9
69.03419	0.8
69.07072	0.9
70.06592	31.5
71.06937	1.1
71.30571	0.7
72.08156	27.1
77.11330	0.4
79.05487	0.5
81.03410	0.6
81.07043	0.8
84.04501	1.2
84.08147	4.5
85.02872	1.0
86.09706	40.8
87.10033	1.1
88.03968	1.0
91.05472	1.4
93.07045	1.4
95.04948	0.6
95.08588	0.8
97.02915	0.6
97.07693	0.6
98.06070	0.8
102.05541	0.6
103.04987	0.4
103.05470	4.0
107.04939	0.5
107.08575	0.5
108.08076	0.5
109.02908	0.7
110.07171	1.8
112.08735	4.0
113.07097	1.1
114.10275	0.6
115.08710	3.2
116.07092	5.6
119.04976	0.6
120.08102	100.0
121.08451	2.8
127.03918	0.9
128.10716	0.5
129.10242	2.3
130.09755	1.4
132.08083	0.7
133.09798	0.5
136.07552	1.5
141.10204	1.2
141.48386	0.5
143.11801	0.4
145.06448	0.4
155.08197	0.5
156.11324	5.2
157.10831	0.9
158.09270	5.8
158.54305	0.5
167.07050	0.5
169.09804	0.6
175.11911	16.0
183.11351	0.9
183.14943	0.6
187.10831	1.5
188.14317	0.9
199.18037	4.0
201.12346	6.7
201.14119	0.7
205.08539	0.5
206.09045	0.9
213.12456	0.9
214.35767	0.5
215.10324	1.6
217.08597	0.6
219.14929	18.5
220.15317	0.6
227.17482	0.8
229.11794	2.5
247.14426	6.8
259.19028	0.5
271.17654	3.7
287.21393	1.0
288.20395	1.1
362.17072	8.2
363.17706	0.7
401.28662	6.0
447.26221	0.5
474.35083	0.5
475.25574	0.6
542.62604	0.5
727.41278	0.7
745.42719	0.8
762.45074	75.3
763.23761	1.9
763.34528	0.5
763.45355	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	762.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
67.05497	7.3
69.03199	17.9
69.07064	5.7
81.07066	5.5
83.08604	2.5
91.05487	3.1
93.07005	2.5
95.08596	7.9
105.07053	2.3
109.10200	2.8
113.07576	1.8
120.96652	22.2
121.10151	2.0
184.07323	4.1
195.00288	5.7
248.23730	3.5
306.27924	5.1
316.36774	2.3
328.26071	4.4
337.27478	10.5
359.25403	2.6
426.23773	22.1
426.60840	2.2
439.22195	3.2
457.23267	100.0
458.23441	7.9
573.48492	2.8
640.30133	2.2
762.52667	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	762.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
57.07077	32.8
59.04995	1.4
61.02959	1.0
64.80633	0.8
67.05492	2.0
69.07065	1.9
71.08237	1.4
71.08631	23.3
73.02912	3.7
73.06548	9.0
79.05527	0.9
79.48518	1.0
80.79984	0.8
81.07040	1.5
82.55090	1.0
83.08624	2.7
85.02901	2.2
85.10182	18.7
86.09750	1.0
87.04469	10.6
89.06027	100.0
91.07629	1.0
95.08604	1.6
97.02927	1.2
97.10173	2.9
98.23369	2.5
99.11709	3.2
105.03391	1.2
107.07037	4.2
113.13309	1.2
117.09113	8.4
121.10157	1.1
130.08669	1.6
131.07059	3.9
133.08598	51.2
134.08961	1.5
137.05980	1.2
145.10114	1.1
155.17952	4.2
161.11774	1.2
169.98994	1.0
171.93022	0.8
175.09627	2.8
177.11215	19.1
184.07306	2.4
199.20598	2.6
221.13852	3.0
223.15355	1.3
243.23215	5.4
266.78650	1.0
287.25845	4.0
584.58667	1.2
675.77814	1.0
708.37341	1.0
745.40363	2.9
762.40497	5.9
762.55127	2.3
763.41882	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
55.05513	1.5
57.03442	1.3
60.66001	0.7
61.02930	6.4
67.05505	4.9
69.03432	3.6
69.07063	1.2
70.59280	0.7
71.04994	0.6
71.23435	0.6
71.30550	0.7
73.02932	4.0
79.05500	4.4
79.76503	0.6
81.03442	1.6
81.07059	4.1
83.08619	0.7
85.02903	4.9
90.89042	0.7
91.03951	3.4
91.05495	2.2
93.07033	4.4
95.04963	0.6
95.08613	4.0
97.02898	5.1
99.04494	1.0
101.02406	2.2
102.79706	0.7
105.07023	1.4
105.54907	0.7
107.08626	2.1
109.02908	0.7
109.10151	1.6
111.04466	1.4
119.08608	1.0
121.10197	2.1
121.44982	0.8
123.11743	1.0
127.03960	1.4
135.11736	1.7
145.10170	1.1
153.12784	1.1
163.11198	0.7
181.12367	1.2
185.04300	0.9
194.18062	0.6
217.40355	0.6
227.12672	0.7
243.08630	1.3
263.80258	0.8
267.12061	7.6
267.34662	0.7
323.14899	0.7
485.19946	5.0
519.29327	9.2
763.42322	100.0
764.42621	17.5
765.89587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05510	0.9
57.03428	2.0
61.02926	4.9
67.05510	4.7
69.03440	3.5
69.07061	1.3
71.01376	0.7
72.08162	0.9
73.02922	3.6
79.05476	3.0
81.03419	1.7
81.07053	3.4
83.05000	0.8
83.08638	0.8
85.02895	4.4
86.09731	1.0
91.03958	2.8
91.05493	1.8
93.07044	2.9
95.08622	2.7
97.02885	4.5
99.04447	1.1
99.66824	0.6
101.02406	2.1
105.07054	1.4
107.08614	1.9
109.02885	0.8
109.10138	1.1
111.04451	2.0
117.07018	0.8
119.08566	1.1
121.10188	1.7
127.04004	1.0
131.08597	1.1
135.11719	1.3
145.10161	1.2
152.63615	0.7
153.12741	1.0
163.11267	1.6
181.12279	1.0
184.07361	2.1
191.10727	0.9
219.17560	0.7
219.20258	0.7
227.12987	1.0
243.08430	1.4
245.35023	0.7
256.26697	0.6
267.11993	5.3
272.35620	0.6
294.51736	0.6
323.14767	1.3
335.25845	0.9
398.31650	0.7
466.34384	0.7
468.11459	0.6
485.20020	8.0
519.29260	4.7
601.37164	1.2
664.31122	0.8
745.41534	2.1
763.42291	100.0
764.42444	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	763.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01889	0.4
55.05525	1.5
57.03442	2.8
61.02924	6.7
65.03949	0.4
65.32391	0.4
67.05507	7.1
67.05841	0.6
69.03435	3.9
69.07082	0.9
71.01361	0.7
71.04993	3.4
73.02919	4.8
79.05489	4.1
81.03420	1.8
81.07057	6.7
83.08643	1.2
85.02908	7.1
85.06554	0.5
87.04459	0.6
87.99065	0.4
91.03961	4.5
91.05477	3.9
93.07047	4.5
95.08610	3.3
97.02888	5.2
97.06553	0.4
97.98959	0.3
99.04475	1.0
101.02368	2.0
103.03982	0.6
104.63126	0.4
105.06998	1.7
107.08587	2.9
109.02907	1.3
109.10181	1.4
111.04454	0.4
115.03973	0.5
117.07076	1.0
119.08591	0.9
121.10158	1.8
123.11741	1.6
127.03958	1.6
127.23547	0.4
131.08598	1.0
133.10156	2.4
135.11720	1.0
145.10237	0.5
149.13358	0.9
149.38908	0.3
151.11226	1.5
154.23784	0.4
158.08835	0.3
159.11708	0.9
179.89503	0.3
183.13919	0.4
185.04260	0.6
187.13411	0.4
203.05330	0.7
213.59053	0.4
243.08389	2.6
257.17636	1.1
267.15863	1.7
423.06479	0.4
485.23553	8.9
486.23953	0.8
519.29401	6.6
520.29578	0.9
601.40894	0.4
763.46002	100.0
764.32312	0.9
764.46332	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	11.2
71.48815	3.8
86.09701	5.8
91.05471	5.5
93.50970	3.5
103.05463	20.4
104.56544	4.1
107.05017	4.8
119.04974	5.7
120.87225	3.8
122.03719	5.4
131.04916	39.2
133.06535	5.6
137.05972	75.4
137.84428	3.7
145.06471	4.9
147.04289	5.1
148.05118	9.4
151.03917	84.6
151.05095	8.8
163.07536	19.7
165.05585	4.6
167.07094	7.1
175.07535	13.2
179.06894	5.5
181.04965	19.2
187.07642	5.2
191.07022	100.0
205.08748	5.4
209.08240	6.3
217.01726	4.8
221.08360	5.3
235.09685	4.5
239.49263	3.5
263.09241	22.3
265.08456	5.8
327.12424	3.9
355.11743	12.0
369.13284	9.0
387.14362	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.7
57.03441	19.8
61.02911	6.2
67.05512	100.0
67.57957	3.0
69.07069	28.1
69.14004	10.3
69.14427	17.4
70.04641	3.1
79.05499	63.0
81.07063	91.7
83.08607	12.4
85.02905	3.9
85.06573	3.2
91.05481	53.5
93.06476	4.8
93.07048	76.3
95.04990	3.9
95.08613	72.8
97.02882	5.2
97.06513	4.5
97.10165	4.7
98.23422	4.4
104.70220	3.4
105.04535	4.0
105.07043	30.6
107.08603	45.5
109.10157	32.3
110.20795	3.1
116.58029	3.3
117.07006	7.7
119.08598	21.6
121.10143	36.3
123.11713	12.7
131.08597	21.0
133.10156	21.2
135.11682	22.2
137.09647	4.1
145.10118	19.8
147.11717	13.4
149.13255	14.4
151.07600	4.8
159.11684	11.6
161.13258	5.8
163.14804	4.9
171.11800	4.7
173.13271	13.9
179.14334	4.4
187.14790	5.7
215.17938	7.3
233.19023	5.5
259.20535	9.9
261.22079	27.5
307.22690	91.9
308.22992	7.2
309.24188	4.2
317.24780	5.3
333.24387	4.9
335.25827	98.9
336.26169	8.2
358.84302	3.8
438.47318	3.8
493.40411	4.6
567.44092	32.2
585.45056	13.4
620.42365	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	764.553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.4
58.06602	100.0
59.06941	1.2
66.72380	0.3
69.05341	2.6
70.06593	0.9
73.05302	0.9
85.89548	0.3
86.09726	0.3
88.07634	2.3
93.07039	0.4
100.11272	2.2
102.66567	0.3
111.04456	0.3
118.08652	2.3
151.07971	0.3
179.50981	0.6
182.15359	0.3
202.59344	0.3
209.16522	1.2
210.14937	0.9
215.13870	0.3
252.11998	0.3
262.84116	0.3
312.21683	65.6
313.21985	4.0
402.71802	0.4
435.33368	0.9
453.34351	8.6
454.34647	0.6
465.52222	0.3
555.36853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07101	0.8
67.05505	0.9
69.09016	4.0
69.09429	1.6
81.07076	0.9
95.08647	1.3
110.18375	0.7
151.62540	0.7
175.27274	0.7
185.04271	1.1
223.25021	0.7
280.49860	0.7
348.28510	1.2
373.79367	0.8
457.23239	0.7
482.31195	2.6
764.56537	100.0
765.56836	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	765.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.3
59.64125	0.6
61.03728	0.6
65.84121	0.6
69.59048	1.4
69.59434	1.7
70.06596	1.5
71.17542	0.6
84.96045	0.9
97.11694	0.6
98.97588	4.4
106.46938	0.6
107.04961	18.1
107.81110	0.7
108.05286	0.7
110.97583	1.1
113.38604	0.7
116.98643	2.0
128.98654	1.0
146.99619	0.9
152.41203	0.9
153.00687	0.6
158.99742	1.2
161.01245	0.9
201.00891	0.7
203.05991	1.1
203.86154	0.7
219.01823	2.7
223.79803	0.7
229.04855	1.1
237.02820	4.5
261.02878	0.9
319.88364	0.7
325.06134	1.5
329.09091	0.8
358.12219	0.8
367.07047	1.2
378.09918	0.7
391.10107	1.6
451.13876	1.2
479.12332	8.1
497.14169	55.0
498.14487	4.5
659.19385	6.2
765.23645	100.0
766.23907	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	5.6
73.56518	0.9
84.08141	0.9
86.09708	1.7
87.05604	1.9
90.63842	0.9
140.80521	0.8
185.04253	2.4
225.35803	0.9
228.81876	1.0
425.12051	1.5
439.13718	1.2
440.14478	1.6
441.15378	1.4
460.19513	0.9
576.04956	1.1
601.18890	2.3
603.20593	8.3
735.06641	1.2
765.25690	100.0
766.26251	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	765.4324
Annotation	Asprellic acid C
Peak:m/z	Relative Intensity
55.05506	1.3
56.05036	30.7
61.01150	17.6
61.44725	0.4
69.03418	1.5
69.04409	3.9
69.07062	1.9
70.06588	1.6
72.08155	11.6
74.00760	0.4
74.06057	0.8
81.46090	0.4
82.41830	0.4
82.93905	0.4
83.06110	1.6
84.04505	9.9
84.08145	17.3
85.88907	0.4
86.09708	17.4
89.04269	0.7
98.22625	1.0
101.07133	10.1
103.05435	0.8
104.05328	100.0
105.05691	0.9
109.37634	0.5
110.07209	0.6
117.03709	5.4
120.08108	33.5
121.08450	1.4
122.06023	2.0
129.06598	4.3
129.10237	6.9
130.08636	9.4
139.08649	0.8
147.11281	10.0
149.07442	34.4
150.05487	0.7
150.07697	0.5
152.10684	0.8
158.09949	0.5
167.08189	1.1
169.13432	1.1
170.06380	1.4
178.05009	2.6
186.02065	0.5
195.07648	1.1
196.14420	2.4
197.12912	2.4
203.12135	0.6
212.10385	1.0
214.10092	0.5
214.15520	3.0
219.14932	3.5
224.14034	0.8
226.05357	3.1
232.11116	2.6
233.16516	4.5
234.16725	0.5
242.15039	1.8
243.07979	11.4
246.18126	4.5
246.96474	0.5
247.14471	0.9
251.12267	0.6
260.10648	38.1
261.11029	1.5
261.15967	4.3
345.19339	0.5
359.17661	1.4
360.22882	1.8
371.20844	1.1
373.19034	13.9
374.19260	1.3
389.22098	1.4
393.24945	10.0
394.25134	0.7
407.17252	1.2
417.16083	0.6
417.21478	0.8
427.23996	0.7
471.26086	0.9
472.26154	1.3
488.28757	1.2
492.26227	2.8
506.24591	1.3
506.33408	4.3
520.25812	8.1
521.25555	0.8
574.30182	0.8
591.32544	2.3
602.29889	0.8
619.32587	3.2
634.38855	0.5
765.43195	51.6
766.43530	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	766.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	20.4
55.54160	2.7
55.59079	3.3
57.03450	16.7
57.07074	7.1
60.86363	3.0
61.02932	4.3
64.08458	3.6
64.19903	3.2
67.05508	94.1
69.07069	29.7
70.49116	5.1
70.49421	4.4
73.56050	2.5
74.02375	2.9
74.61999	2.9
79.05495	48.4
81.07061	84.9
83.08633	15.2
91.05495	27.4
93.07049	51.8
95.08607	68.4
96.08926	3.9
97.06531	6.8
97.10197	7.8
105.07037	21.5
107.08603	28.4
108.86330	3.1
109.10164	30.0
117.07013	5.9
119.08608	14.5
121.10120	26.9
123.11713	11.1
131.08556	10.4
133.10118	19.7
135.11696	20.2
145.10143	9.8
147.11694	9.0
149.13290	12.6
151.07530	5.6
159.11710	8.6
161.13272	7.7
163.14861	7.6
173.13338	4.6
175.14824	3.7
176.42413	3.7
177.16505	3.7
187.14874	5.2
201.16312	3.8
215.18004	4.3
217.19337	4.1
243.21184	6.7
259.20615	6.7
261.22104	28.1
262.25272	19.3
309.24225	100.0
310.24484	4.7
311.26111	3.2
317.24796	6.2
335.25793	88.7
336.26123	10.4
337.27448	7.1
569.45612	32.0
570.46191	5.2
587.46753	16.5
588.46149	4.6
605.41882	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	766.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
56.05029	1.8
57.03428	0.5
57.07080	6.4
58.06599	0.6
58.80342	0.4
59.33213	0.4
60.04515	0.4
60.18526	0.4
61.02934	0.6
65.03942	0.8
67.04267	0.4
67.05506	8.6
69.03420	1.8
69.07068	13.6
70.06567	1.1
71.08632	5.0
79.05497	8.4
80.05009	2.2
80.38848	0.4
81.03405	1.2
81.05809	1.0
81.07062	8.5
82.06590	3.7
83.08622	14.1
83.09126	1.0
85.02906	2.0
85.10193	3.3
90.71696	0.4
91.05483	8.1
93.07046	7.2
94.06572	14.3
95.04966	0.8
95.07360	3.1
95.08606	6.5
96.08137	2.6
97.02898	0.9
97.06538	0.6
97.10173	15.1
98.10498	0.6
100.07552	0.5
103.42949	0.4
105.04530	0.4
105.07037	4.6
107.07342	0.6
107.08592	3.0
108.08121	1.8
109.10150	2.6
111.11720	8.0
119.08575	4.5
121.08878	0.7
121.10164	3.4
122.09643	2.1
123.11687	0.7
125.13264	3.9
131.08615	0.5
133.10143	2.7
135.10419	0.6
135.11693	2.5
137.13232	0.6
139.14845	2.2
147.11667	0.8
149.13242	0.8
153.16376	1.5
161.13249	0.6
163.14771	0.6
167.17947	1.6
178.33253	0.4
186.81030	0.4
195.00366	0.5
233.22630	2.4
237.25760	1.0
245.22752	3.5
247.24080	0.7
250.25311	6.2
260.23782	0.7
262.25302	100.0
263.25671	7.0
264.26813	0.8
280.26340	5.2
288.23123	0.5
297.27896	1.8
300.29016	1.3
325.27448	0.6
442.31476	1.0
471.01990	0.5
514.49792	1.2
526.50043	2.2
528.51459	0.6
532.50854	0.6
544.50598	1.8
566.77509	0.5
574.51880	1.6
575.52228	0.5
586.51941	7.0
587.51788	1.3
588.53503	6.7
589.54034	1.3
604.53009	4.3
605.53149	0.6
766.58844	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	766.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60987	0.4
55.05277	0.6
55.05516	7.9
55.29369	0.4
56.05038	1.9
56.39481	0.5
57.07081	5.5
58.06581	0.4
60.04527	1.0
61.02933	0.5
67.05190	0.4
67.05513	7.4
67.21487	0.4
69.03418	1.4
69.07076	13.4
70.06586	1.5
71.08643	4.9
79.05494	7.3
80.05012	1.9
81.03410	0.8
81.07066	7.3
82.06574	3.7
82.44958	0.4
83.08625	11.5
84.08138	0.4
85.02901	2.1
85.10191	2.9
91.05488	6.6
93.07048	7.3
94.06576	12.5
95.04981	1.2
95.07365	3.2
95.08022	0.6
95.08614	6.3
96.08134	2.7
97.02885	0.9
97.10175	15.1
98.10476	0.5
99.11726	0.5
101.92332	0.4
105.07034	4.1
107.08606	3.9
108.08115	1.5
109.10155	2.4
111.11725	8.5
119.08593	3.3
121.10166	3.6
122.09662	1.5
123.11725	1.1
125.13270	4.1
127.03904	0.8
133.10138	2.7
135.11708	2.1
136.11252	0.6
137.13217	0.5
139.14819	1.6
147.11713	0.9
153.16432	1.1
161.13213	0.6
167.17903	0.8
175.14699	0.4
181.19423	0.5
219.21161	0.4
229.32185	0.4
233.22652	1.6
237.25671	0.7
245.22719	3.8
250.25272	4.2
262.25314	100.0
263.25687	7.0
264.26868	0.7
280.26407	4.9
297.27783	2.2
300.29062	0.6
306.28064	0.7
325.27509	0.5
336.51755	0.4
442.31686	0.8
514.49561	0.9
526.49750	1.8
532.50586	0.5
544.50665	1.0
574.51868	1.6
586.51971	6.3
587.52246	0.9
588.53595	5.2
589.53619	0.7
604.52972	3.5
605.53400	0.9
687.86011	0.5
766.57422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05031	0.6
70.06591	50.9
71.06919	0.6
71.30048	0.3
72.08160	2.9
74.06059	0.3
77.96225	0.2
81.07039	0.2
84.04506	6.2
84.08124	0.5
85.02905	0.6
85.08430	0.2
86.09695	1.0
91.05466	1.3
93.07037	1.0
97.02879	0.2
101.07095	0.2
102.05539	8.3
103.05448	4.3
110.06026	0.2
110.07169	0.2
112.03931	0.2
116.07096	0.5
118.08649	3.2
120.08102	100.0
121.07675	0.3
121.08456	2.7
128.49321	0.2
129.10231	0.6
130.04996	0.7
130.06537	0.7
131.04909	0.8
132.08090	0.8
136.07593	0.3
140.16583	0.2
144.08084	0.2
144.53438	0.2
147.07666	0.2
159.09163	0.7
165.10324	0.2
165.34280	0.2
169.13361	0.8
176.10736	0.2
181.09685	2.5
186.09138	5.3
199.08534	0.2
204.10100	1.1
209.09178	2.0
214.08563	0.3
215.13908	37.8
216.14215	1.4
217.13362	0.2
221.12920	0.3
227.10205	0.4
231.11292	2.7
232.09514	0.2
232.11798	0.3
242.08052	0.2
249.12343	17.6
250.12656	0.8
257.15131	0.2
259.10754	1.3
260.08942	0.3
265.42007	0.2
277.11819	25.0
278.12140	0.9
287.09863	0.3
326.17007	1.7
337.06232	0.2
344.18091	1.2
361.14218	0.2
374.16995	0.9
379.16614	0.5
388.14847	0.7
396.18741	0.3
406.16022	2.4
424.18649	8.4
425.18774	0.8
434.15527	1.2
473.24142	0.2
490.19232	0.3
491.24710	0.5
508.20212	0.3
525.23480	3.1
535.21686	0.5
553.22943	7.0
554.22809	0.6
650.28058	0.4
660.31165	0.3
664.16901	0.2
767.36340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	34.3
57.03440	16.7
57.07076	10.2
61.02922	4.8
65.03948	2.3
67.05506	65.4
68.05827	1.7
69.03430	1.9
69.07070	42.1
70.54763	1.4
71.04998	2.6
71.08638	4.3
79.05496	41.2
80.05830	1.2
81.07059	67.4
82.07394	1.9
83.04996	2.4
83.08619	22.2
85.02904	3.0
85.06549	2.0
85.10178	2.2
91.03983	1.7
91.05482	18.1
93.07045	51.3
95.04955	3.6
95.08607	51.6
96.08982	1.0
97.02923	1.5
97.06557	5.3
97.10182	10.9
99.08079	1.7
105.07030	14.8
105.07666	1.2
107.08591	28.5
107.09286	2.0
109.06568	1.2
109.10160	21.6
111.08105	4.3
111.11707	1.9
117.07048	4.8
118.81543	1.2
119.08589	11.0
121.10151	28.0
123.11717	9.7
125.09630	2.6
131.08568	9.8
133.10126	9.9
135.11700	20.1
137.13272	3.6
139.11192	1.6
145.10112	5.4
147.11674	4.6
149.13281	9.5
151.14867	1.3
153.12787	1.4
159.11694	4.7
161.13266	4.7
163.14810	4.9
173.13235	5.8
175.14882	2.1
177.16429	2.1
179.70007	1.1
187.14868	3.1
219.21135	2.9
237.22108	5.9
243.21107	8.4
261.22144	31.7
262.22482	1.3
299.23529	1.3
309.24081	2.7
311.25809	100.0
312.26022	8.7
317.24673	5.6
318.25204	1.2
335.25793	87.0
336.26147	9.8
337.27484	2.1
407.14597	1.0
497.43484	1.5
571.47168	36.1
572.47400	4.9
589.48077	8.4
590.48370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.3
56.05034	0.6
57.03442	0.7
65.03967	0.9
67.05508	12.3
68.05042	1.2
69.03450	6.4
69.03874	1.4
69.07080	4.0
70.06592	2.0
79.05495	9.6
80.05020	0.7
81.03438	2.7
81.05798	0.8
81.07064	8.9
82.06595	2.4
83.07381	2.8
83.08626	1.0
84.08149	1.2
85.02930	2.5
86.09721	0.9
91.05497	4.2
93.07042	8.5
94.06557	3.5
95.04975	1.4
95.08614	6.5
95.76743	0.6
96.08136	4.5
97.02882	1.5
98.09686	1.0
99.04440	0.8
105.04555	0.6
105.07014	2.9
107.04970	0.7
107.07434	0.6
107.08598	4.9
107.28359	0.5
108.08147	1.6
109.02840	0.6
109.08923	1.3
109.10172	2.1
110.09680	3.5
112.07616	3.5
117.07073	1.3
119.08575	1.3
120.08080	1.3
121.10179	2.7
122.09670	5.2
122.86372	0.6
123.04412	8.7
123.05187	0.8
124.11279	0.7
126.09219	0.7
127.03936	0.6
127.09934	13.4
131.08556	1.1
133.10176	1.1
135.11667	1.2
136.11266	0.5
140.10704	11.4
145.10188	0.7
149.13303	0.7
150.12859	1.0
154.12288	1.0
154.75084	0.6
157.68388	0.5
184.07379	1.0
195.48750	0.6
198.81181	0.6
206.19046	3.4
213.86688	0.5
219.64107	0.7
224.20099	6.5
314.21323	2.6
328.22723	4.1
330.24258	26.4
331.24585	1.1
347.24695	0.8
348.25317	52.2
349.25821	3.4
372.25281	1.2
390.26633	1.8
770.51953	100.0
771.52264	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.1
57.03439	18.7
57.07076	48.4
59.23635	0.9
61.02936	5.4
65.03947	2.4
67.05502	60.1
68.05853	1.7
68.18704	1.2
69.03424	1.4
69.06727	1.9
69.07065	20.4
69.07417	1.8
70.96059	2.1
71.08629	29.0
73.02901	1.2
79.05492	35.0
81.07053	65.2
81.56777	1.0
82.07391	1.4
83.04996	1.6
83.08611	13.8
85.02908	3.1
85.06525	1.6
85.10182	17.9
89.06050	1.9
91.03967	1.5
91.05478	16.9
93.07040	40.2
94.07349	1.2
95.04972	1.8
95.08604	59.6
96.08923	2.0
97.02876	2.1
97.06550	2.0
97.10165	7.0
99.73058	1.0
103.05482	1.1
103.07584	1.7
105.04523	1.2
105.07027	14.2
107.08598	23.0
109.06490	1.2
109.10156	25.7
117.07007	5.8
119.08588	11.8
121.10136	18.3
123.11725	9.9
125.09676	1.4
131.08560	10.9
133.10139	8.0
133.44196	1.3
135.11703	11.9
137.13278	3.2
145.10129	6.7
147.11668	4.9
149.13252	7.9
159.11685	5.2
161.13237	4.8
163.14807	3.8
164.14970	1.1
173.13255	7.2
175.14824	2.5
181.90227	1.1
187.14847	2.7
195.00294	3.0
201.16457	2.1
233.22710	1.4
239.23718	3.9
243.21123	11.0
247.95396	1.3
250.34177	1.0
257.24683	1.9
261.22144	36.3
262.22513	1.9
291.78491	1.2
313.27353	100.0
314.27682	5.8
317.24789	5.0
329.94876	1.1
335.25778	77.0
336.26053	7.0
480.91016	1.2
573.48798	31.4
574.48944	4.4
591.49591	3.6
612.23199	1.3
653.75830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	3.8
66.19514	1.2
70.06587	4.4
71.28800	1.6
72.08141	1.5
84.04509	2.1
84.08150	2.9
86.09664	3.0
91.05479	29.6
107.05003	1.3
109.27206	1.1
117.06959	1.6
118.48266	1.2
119.04945	45.9
120.16407	1.3
121.02879	4.6
131.04991	1.4
132.02095	1.5
145.02821	1.8
145.06511	3.6
147.04407	37.6
148.04732	1.6
157.04021	3.4
175.03909	65.3
176.04289	1.9
179.07019	4.6
203.03366	1.5
207.06525	100.0
208.06923	4.8
235.06116	1.4
249.07561	2.9
274.69473	1.1
283.06070	9.2
294.05246	1.4
295.05991	5.9
297.58380	1.0
307.05930	7.0
308.06686	2.2
309.07474	2.7
313.06906	6.7
321.07651	4.7
323.05585	1.2
325.07092	3.9
333.07385	2.3
335.08929	1.5
337.07080	8.8
349.07141	5.8
351.09692	1.3
360.75272	1.2
361.07037	2.7
363.08685	1.8
367.08197	5.6
369.11816	7.7
373.07068	1.6
379.08185	4.1
385.09222	3.2
391.08066	3.9
409.09171	1.7
427.10123	2.3
499.12451	1.2
511.12228	2.1
513.11865	1.4
531.12891	2.1
585.13501	3.3
615.14703	3.9
616.14868	1.4
633.15698	3.0
651.16827	7.8
663.16705	1.5
681.17487	2.6
705.17828	7.2
717.17395	1.6
735.18750	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	771.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05027	0.6
61.01147	8.5
68.05009	0.5
70.06590	80.8
70.19230	1.0
71.06922	1.2
71.12624	0.3
72.08161	4.3
72.73411	0.3
82.27583	0.3
83.06104	0.7
84.04505	9.0
84.08149	0.6
85.04869	0.3
86.09702	1.1
91.05466	0.5
96.08175	0.3
98.06034	0.4
98.22681	0.3
101.07140	6.6
102.05563	0.3
115.08686	0.6
116.07088	7.2
117.03746	1.2
118.06876	100.0
119.04908	0.4
119.07252	1.8
125.07106	0.4
127.08691	0.7
129.06581	3.7
129.07492	0.4
130.06526	3.9
132.04738	0.5
132.08078	1.2
133.53429	0.3
138.09088	1.6
142.06480	0.3
144.08127	0.4
147.04401	0.6
155.08109	0.3
155.11801	0.7
157.06032	2.6
159.09171	6.0
163.09004	14.5
170.05989	3.6
171.77628	0.3
174.05768	0.7
175.03926	0.7
178.04945	0.5
181.09715	0.3
182.08470	0.6
182.12939	1.3
183.11295	2.6
186.09822	0.3
187.08624	0.5
188.07074	0.3
200.13934	2.4
207.06575	1.2
210.12422	0.6
213.12331	23.8
214.12585	1.0
223.12283	1.3
225.13995	0.9
226.05345	0.4
228.13457	1.1
239.11821	1.3
242.16521	0.6
243.07942	1.8
246.12709	9.9
256.14490	1.2
274.12183	28.2
275.12466	1.0
284.13855	1.5
297.12564	0.4
332.14078	0.4
345.19537	1.2
351.18051	0.4
373.19022	43.3
374.19220	2.7
382.17752	0.9
399.20230	3.9
414.21255	0.7
429.19711	0.5
430.21381	0.7
431.21228	0.4
442.20908	0.4
504.40253	0.3
515.27930	6.5
516.28259	0.8
531.27448	10.8
532.27637	1.1
539.26141	0.4
542.24042	0.4
559.26917	21.5
560.27338	2.7
656.32465	3.0
771.26428	0.6
771.39313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05499	2.4
57.03432	2.4
57.07071	0.5
61.02926	7.7
61.03224	0.6
65.03938	0.3
67.05506	6.5
69.03426	3.7
69.07064	3.1
70.55414	0.5
70.55746	0.4
71.01369	0.4
71.05000	0.8
73.02911	5.1
75.04463	0.2
79.05493	3.6
81.03411	2.2
81.07052	6.2
83.05001	0.5
83.08613	1.9
85.02899	7.4
85.06563	0.3
87.04462	0.8
91.03947	4.4
91.05442	1.6
93.07033	3.7
95.08604	5.1
96.37504	0.3
97.02887	6.6
97.06515	0.6
97.10185	0.9
99.04470	1.0
101.02371	2.5
103.03980	0.5
105.07052	0.9
107.08597	2.4
109.02904	1.2
109.10150	1.5
111.08057	0.3
111.76218	0.3
115.03948	0.6
119.08568	0.8
121.10136	1.9
123.11720	0.6
127.03929	2.1
129.05550	0.3
131.08575	0.4
133.10144	0.3
135.11716	1.2
137.13208	0.3
145.10162	0.5
147.11723	0.4
149.13300	0.9
159.11720	0.4
173.13292	0.4
175.46178	0.3
185.04286	1.0
187.71635	0.3
203.05336	0.7
243.08383	2.0
311.26025	0.6
335.26025	0.8
470.59116	0.3
495.29330	5.1
496.29144	0.5
519.29279	10.9
520.29889	1.0
571.77936	0.3
773.51636	100.0
774.51996	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.7
56.87298	6.1
57.03434	13.8
57.07078	7.3
60.08151	8.4
61.02923	17.2
67.05502	92.9
69.02728	54.1
69.03415	12.4
69.07079	31.0
73.02908	6.2
79.05491	77.2
79.30288	5.3
81.03452	7.8
81.07060	100.0
83.08614	11.7
83.12811	6.0
85.02899	19.3
86.09666	14.2
91.05483	65.5
93.07058	74.5
95.04992	9.4
95.08604	69.7
96.08911	6.2
97.02893	9.4
97.06498	6.5
105.07029	70.6
107.08593	36.1
109.06564	7.5
109.10150	38.4
117.07040	33.2
117.07745	5.7
119.08591	45.5
121.10152	39.8
123.11687	11.3
125.00002	13.0
129.07005	8.4
131.08563	36.5
133.10123	45.9
135.11690	25.0
143.08554	21.5
145.10091	33.3
147.11679	42.1
149.09578	6.3
149.13255	20.9
155.08546	7.4
157.10121	8.1
159.11703	24.0
161.13261	24.0
167.08633	6.4
167.36351	6.6
169.10135	9.0
171.11676	18.2
173.13275	20.1
175.14824	14.0
183.79401	5.5
184.07341	52.4
185.13290	16.6
187.14804	7.5
197.13226	6.4
199.14848	9.1
209.13391	8.0
223.14836	7.9
238.54221	6.1
241.19548	21.5
259.20541	50.9
261.22110	14.0
313.27481	9.7
333.24207	22.8
335.25888	59.3
336.26254	8.3
337.27444	13.6
519.42084	6.7
576.50446	8.6
578.19147	6.2
593.45258	7.5
609.45801	6.8
609.56458	6.3
611.46710	78.3
612.46991	14.2
773.51440	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.05515	8.0
56.05037	2.3
57.05809	1.2
57.57694	0.4
58.06579	0.5
67.05466	0.4
69.03419	0.7
69.07066	0.6
69.65801	1.6
69.66139	0.4
70.06593	10.4
72.08156	100.0
73.08490	1.7
74.06071	2.4
79.05499	0.7
81.07043	0.6
83.04975	1.0
84.04501	7.3
84.08135	3.2
85.02890	1.9
86.06064	4.2
86.09705	18.7
87.05626	0.5
87.10052	0.8
91.05473	0.5
96.04418	0.5
96.08153	0.3
97.02916	1.1
97.06517	0.7
98.06083	0.5
98.22707	0.7
99.04454	0.8
100.07608	0.5
101.07136	2.4
102.05550	4.5
103.03978	0.4
105.07021	1.0
107.04978	0.6
110.07193	1.1
112.11248	0.9
114.05524	7.1
115.08655	0.4
120.08125	1.4
123.05544	0.4
123.11711	0.4
124.11249	0.5
125.06059	0.4
127.03928	0.9
128.10745	0.4
128.84305	0.4
129.10226	2.0
130.05031	2.0
136.07585	1.4
139.08717	0.7
140.07074	1.8
141.10236	0.7
141.13831	0.5
142.12294	0.6
143.06987	0.7
143.11795	9.3
145.04886	0.5
145.06631	0.4
147.04460	0.7
148.06026	3.8
150.05530	0.7
155.08334	0.5
157.09747	1.4
158.08160	0.9
158.68011	0.4
159.09221	0.5
163.03879	3.0
163.06059	0.5
165.12840	0.4
167.08188	2.5
168.06635	0.6
169.09850	0.6
169.13411	0.8
171.11295	5.1
185.09213	22.6
186.09575	1.1
187.14421	5.1
195.07668	3.4
197.12863	1.3
201.12321	2.2
203.10312	0.8
207.13896	0.4
213.08708	5.6
215.13837	2.3
229.11815	4.8
231.09912	1.3
242.48405	0.5
243.13503	0.4
251.12881	0.4
253.14256	0.9
256.16571	11.3
256.19186	0.7
261.14444	2.7
280.16687	1.6
284.16043	27.8
285.16431	1.1
298.17453	0.4
300.15668	1.7
308.16364	0.9
312.15558	4.6
313.15872	0.4
325.09283	0.5
326.17230	1.4
330.16666	1.9
344.18265	0.6
362.19055	2.0
383.19345	1.5
401.20401	1.0
413.20309	12.2
414.20691	0.8
452.78647	0.4
455.21643	1.0
470.22885	1.4
473.22806	1.2
491.23462	1.4
496.23981	28.0
497.24136	3.5
514.25024	8.7
515.25677	0.6
572.29401	1.0
581.32990	0.8
590.30225	0.5
609.32355	8.3
610.32611	1.3
716.96429	0.4
756.37994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58562	1.3
60.08162	3.1
67.05503	2.8
71.07397	1.9
81.07079	1.8
86.09695	21.4
93.07059	1.4
98.22553	3.6
98.98480	2.8
125.00000	13.5
184.07341	67.7
185.07745	2.8
343.42639	1.5
701.20544	1.6
748.79443	1.8
756.55518	2.1
774.41827	100.0
775.42194	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87879	1.5
60.08175	6.3
61.87924	1.5
70.51037	3.7
70.51364	1.9
71.07418	2.4
79.05469	1.8
81.07034	2.8
86.09711	27.7
87.02692	1.8
93.07011	2.1
98.98489	5.0
108.84712	1.7
125.00009	20.1
137.99411	2.2
184.07346	97.8
185.07733	3.9
208.12448	1.6
255.24023	1.7
281.75146	1.8
339.51163	1.8
472.38916	1.8
756.55035	4.5
774.41876	100.0
775.42407	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.7
57.07077	31.1
58.22710	1.2
59.05019	1.6
62.09365	1.1
67.05505	1.3
67.78089	0.9
69.07067	4.0
69.39692	6.4
69.88198	1.0
71.08634	31.7
73.06559	9.4
81.07046	2.1
83.08623	4.5
85.10186	18.2
87.04484	8.4
89.06034	100.0
90.06373	2.9
91.05507	1.3
91.07583	1.0
93.07040	1.2
94.39397	1.0
97.10164	4.4
98.23322	1.8
99.11736	2.6
107.07075	2.8
111.11741	3.3
117.09106	8.1
117.93291	1.2
120.03325	1.2
127.14812	1.7
131.07033	3.4
133.08609	46.1
143.16670	1.2
161.11757	1.2
166.69804	1.0
175.09636	1.7
177.11212	17.4
184.07265	1.5
211.24252	1.7
221.13846	3.5
235.73956	1.2
239.14920	1.2
255.26837	1.9
299.29437	3.4
343.32135	2.2
547.33350	1.3
646.58582	1.3
757.55780	1.7
774.58496	1.1
775.53540	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	775.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	29.6
66.99020	1.6
68.40714	1.5
71.30637	2.1
71.95243	2.5
81.07025	3.1
84.96017	5.0
86.09686	4.0
91.05495	1.9
95.08578	2.5
98.97578	78.6
110.97558	19.1
112.99129	19.7
116.98611	36.7
124.99133	3.9
124.99977	2.3
128.98596	23.3
131.00157	36.9
134.99643	6.0
138.55890	1.6
140.00163	3.6
140.98601	4.1
143.00154	19.1
144.98097	2.0
145.01724	1.8
146.99640	9.1
149.01212	44.1
152.98515	4.2
155.00168	1.8
157.56360	1.7
158.99640	36.7
161.01199	15.7
161.67743	1.5
167.02292	10.7
170.98311	3.4
170.99652	38.3
173.01222	7.3
175.02824	1.9
176.99300	2.7
177.00705	34.7
177.02127	3.0
182.99577	2.3
184.07352	6.7
185.01207	9.0
189.00697	38.6
191.02267	12.4
194.99818	2.5
195.01703	3.5
197.01187	2.6
199.02776	6.7
200.02278	2.5
201.00711	11.1
203.02223	9.6
207.01758	3.4
209.01308	3.2
212.02287	4.1
213.00659	8.2
215.02269	3.5
217.03780	8.5
219.01746	21.0
227.02325	3.2
231.01743	7.0
233.03342	5.8
236.59431	1.6
237.02744	12.4
255.03870	1.8
261.02774	21.1
275.04327	7.6
279.03854	29.9
291.03879	3.8
293.05389	41.3
297.04852	4.8
302.05237	2.6
309.04907	6.8
311.06488	12.4
315.03793	1.8
316.58463	1.8
317.17877	30.6
321.04901	100.0
322.05209	3.5
335.06528	1.9
335.18903	8.5
339.05893	7.9
358.20456	2.2
381.06979	6.3
437.09689	21.0
438.09915	1.9
455.10693	60.6
456.11255	2.8
476.05893	1.7
504.39920	1.8
539.25079	5.3
553.26593	6.6
571.27753	2.5
615.11969	1.8
715.32043	40.2
716.32440	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	775.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	30.6
65.24456	1.4
71.30079	2.2
71.30524	1.7
71.95283	1.6
81.03415	1.7
84.96016	4.3
94.14424	1.6
95.05024	1.4
98.97583	82.4
99.97920	1.6
110.97571	18.8
112.99134	20.7
116.98631	32.0
124.99136	5.4
127.00668	2.3
128.98608	26.3
131.00153	37.9
134.99687	8.8
140.00186	3.1
140.98605	3.9
143.00165	19.0
144.98030	2.1
145.01700	1.8
146.99677	12.8
149.01218	47.8
152.98593	4.3
154.01756	1.8
155.00160	1.8
158.01480	1.5
158.99652	38.3
159.01001	2.0
161.01218	15.9
167.02292	11.3
170.99658	47.2
172.02879	3.0
173.01212	10.5
175.02820	1.9
176.11566	1.6
177.00716	35.5
179.02402	2.2
182.99579	3.5
185.01239	8.7
189.00711	37.6
191.02290	13.5
194.99722	2.9
195.01740	2.5
199.02765	6.3
200.02422	2.5
201.00703	10.5
203.02275	12.2
205.03804	2.0
207.01721	3.0
209.01295	2.2
212.02379	3.7
213.00690	5.0
215.02295	4.1
217.03906	8.0
219.01738	21.1
227.02252	3.4
231.01744	3.1
233.03394	6.1
237.02779	11.9
261.02808	25.0
275.04333	10.9
279.03860	33.0
291.03931	6.4
293.05408	44.3
294.05652	3.2
297.04922	7.2
302.05502	3.9
309.04901	7.3
311.06470	17.9
317.17850	23.3
321.04910	100.0
322.05249	4.6
334.08145	2.9
335.18921	8.1
339.05948	7.1
362.07690	2.6
363.06174	2.8
381.06891	10.3
391.21219	2.4
437.09744	25.2
455.10681	75.6
456.11163	4.1
539.25159	6.4
553.26910	8.9
715.32166	34.7
716.31818	4.7
720.75031	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	775.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
57.03442	3.5
57.07072	4.8
59.08443	1.0
61.02926	7.8
65.61013	1.1
67.05505	9.2
69.03432	5.5
69.07070	3.4
69.14184	2.0
69.14577	9.0
71.08636	2.9
71.15998	1.1
73.02927	5.4
73.03270	1.0
74.22614	1.0
79.05499	6.6
81.03426	2.6
81.07058	11.4
82.07394	1.1
83.08627	1.7
85.02904	9.1
85.10156	1.2
86.09714	3.6
91.03967	3.6
91.05470	5.3
93.07034	8.0
95.08608	9.5
97.02880	7.3
99.04452	1.8
101.02380	3.3
105.07056	2.9
107.08620	3.0
109.10173	2.5
117.07036	3.1
118.39424	1.1
119.08572	1.7
121.10161	2.9
125.00062	3.6
131.80870	1.1
135.11726	1.6
145.10158	1.3
147.11700	1.3
184.07344	8.7
185.13347	1.1
235.19604	1.0
243.08365	2.1
313.27390	1.4
335.25797	1.4
358.27777	2.0
491.40097	1.1
497.31018	6.1
519.29315	8.9
520.28998	1.6
521.55371	1.1
609.67517	1.2
649.33850	1.2
775.53217	100.0
776.53345	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	776.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.07077	32.4
59.04977	1.5
65.91227	0.6
69.07063	2.5
69.85941	0.7
71.08636	28.0
73.02922	1.3
73.06557	9.2
79.98644	0.7
81.07066	1.1
83.08619	1.3
85.10184	16.9
86.10502	0.7
87.03983	1.2
87.04473	11.4
89.06033	100.0
90.06351	1.3
91.07601	1.0
97.10172	4.3
99.11740	3.6
100.12007	0.6
107.07070	2.9
111.11742	2.3
113.13294	2.0
117.09126	10.0
125.00074	0.6
130.08664	3.0
131.07059	2.9
133.08606	52.6
134.08980	1.1
135.10176	1.1
159.05644	0.7
161.11758	3.0
169.18292	0.7
169.19453	3.8
175.08383	0.7
175.09605	3.5
177.11220	18.2
178.11533	0.7
184.07350	1.4
211.95728	0.7
213.22173	2.2
221.13907	2.8
229.39256	0.8
239.15022	0.7
254.24889	0.9
257.24725	6.2
283.17587	1.0
301.27255	3.6
309.19269	0.9
621.91052	0.7
759.54163	0.9
776.56848	2.9
777.38611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	32.9
60.70634	1.6
70.14745	6.1
71.95252	2.8
73.10377	1.6
84.96051	7.2
98.97584	86.6
110.97569	20.3
112.99129	20.5
113.02219	1.9
116.98630	38.8
124.99120	5.5
128.98613	26.7
131.00174	37.9
134.99672	13.4
138.96872	2.0
140.00194	3.1
140.98584	3.9
143.00159	17.2
144.98082	2.0
145.01671	2.4
146.99643	13.5
149.00069	3.1
149.01227	42.5
152.98595	3.2
155.00154	3.4
158.99664	35.8
161.01251	14.9
162.99200	2.2
167.02290	10.4
169.50381	1.6
170.99657	43.5
173.01239	8.3
175.02760	2.0
177.00713	41.1
182.99680	2.1
185.01228	8.0
189.00710	48.1
191.02269	11.9
192.97798	1.9
195.01735	4.1
196.28111	1.6
199.02783	6.7
200.02274	2.0
201.00723	8.4
203.02319	7.3
207.01808	4.1
212.02309	4.6
213.00702	5.6
215.02240	3.8
217.03879	7.0
219.01790	24.6
227.02264	3.8
231.01778	5.5
233.03365	4.0
237.02763	12.6
242.03435	2.5
261.02789	23.4
275.04425	10.0
279.03903	26.1
291.03830	4.4
293.05435	46.2
297.04968	10.3
300.60074	1.7
302.05347	3.0
309.04883	6.0
311.06546	17.7
315.03458	2.2
319.19427	20.8
321.04926	100.0
322.05292	3.1
334.07901	1.8
337.20563	24.9
339.06024	8.3
362.07504	4.4
363.05804	2.6
379.21545	1.9
381.07001	7.0
437.09656	23.1
455.10736	55.0
456.11261	2.3
477.08612	4.0
541.26678	6.8
555.28479	12.4
717.22546	2.5
717.33771	33.6
718.33704	4.9
783.72235	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	777.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	33.4
84.96024	4.5
87.73703	2.0
98.97583	87.5
110.97588	19.8
112.99139	26.1
116.98624	41.9
124.99153	6.4
128.98607	26.0
131.00174	38.7
134.99670	7.9
135.04964	2.1
138.96822	2.5
140.98615	5.7
143.00153	14.8
146.99657	11.0
149.01234	42.2
152.00137	2.6
158.99663	36.6
161.01201	11.6
167.02312	10.7
170.99649	40.9
173.01208	7.9
176.99265	4.4
177.00713	38.9
179.02391	2.3
180.97903	2.4
182.99625	2.5
185.01250	8.8
189.00706	48.2
191.02299	13.7
195.01651	2.9
199.02814	10.5
201.00705	10.8
203.02260	11.1
207.01784	6.6
209.01215	3.1
212.02332	4.4
213.00716	4.3
217.03877	7.3
219.01823	27.6
227.02338	4.1
231.01770	5.1
233.03406	6.5
237.02837	14.6
261.02832	25.4
275.04373	7.6
279.03906	34.1
291.03992	5.5
293.05414	44.9
297.05014	11.5
309.04938	7.0
311.06445	14.3
315.03510	4.2
319.16122	2.3
319.19409	13.6
321.04926	100.0
321.08728	4.8
322.04996	3.4
323.96597	2.7
337.20496	23.0
339.05948	9.2
362.07608	3.6
381.07004	9.5
437.09595	24.6
444.13669	2.6
455.10760	52.8
456.11414	3.3
477.08905	5.1
541.26617	6.1
555.28180	10.4
573.29419	3.1
701.37305	7.3
703.37976	3.2
717.33612	49.9
718.33850	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	778.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99394	2.8
68.99796	11.3
82.43089	1.3
86.09706	3.3
93.07076	2.3
95.08644	1.4
98.23309	2.5
104.99277	23.3
106.17175	1.6
120.96669	4.9
129.77319	1.3
136.94032	4.8
146.98224	3.6
148.93471	1.4
164.93146	2.0
164.98044	1.5
184.07417	2.0
184.40587	1.4
184.88885	10.0
186.99583	5.9
202.96999	3.1
203.75006	1.4
207.95148	1.4
268.99954	4.4
284.97250	8.0
285.97629	2.3
286.97223	1.6
300.94861	2.0
358.85126	5.5
362.26712	3.2
377.17053	1.6
431.39404	1.6
473.21127	5.7
492.29312	2.3
595.47363	2.1
718.52228	3.1
719.45624	2.0
778.54431	100.0
779.54547	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.8
57.03434	15.9
57.07079	4.6
60.08157	6.2
61.02924	4.6
64.93562	1.6
65.03940	2.5
67.05508	94.8
69.03422	2.6
69.07069	23.7
71.05004	1.9
79.05495	63.2
81.07059	99.9
82.07423	2.1
83.08621	10.0
85.02894	4.6
85.06520	3.1
86.09711	25.6
91.03945	1.9
91.05482	33.9
93.07046	79.0
95.04967	4.1
95.08608	75.8
95.09229	2.7
96.08916	3.0
97.02868	2.0
97.06538	4.5
97.10171	5.6
98.98450	3.5
105.07033	29.2
107.07877	2.9
107.08589	44.5
107.09285	3.0
107.31850	1.7
108.08924	1.8
109.06505	2.7
109.10158	33.7
111.08089	2.9
111.11686	1.6
117.07024	10.6
119.08571	26.9
121.10143	32.4
122.10417	2.0
123.11699	14.7
124.99998	17.2
129.07002	3.2
131.08563	19.6
133.10130	23.4
135.11710	21.8
137.13254	3.1
143.08595	2.5
145.10124	18.5
147.11668	18.0
149.13239	13.1
157.10107	4.7
159.11697	15.5
161.13258	11.6
163.14807	8.1
171.11656	2.9
173.13286	15.7
175.14827	3.5
176.77393	1.5
177.16415	2.7
184.07347	100.0
185.13342	2.5
187.14890	4.6
199.14813	2.7
213.16420	2.7
227.17918	3.6
229.19476	4.5
241.19490	2.4
243.21068	6.6
245.19005	3.5
247.20538	13.1
259.20529	6.0
261.22101	16.8
285.21909	2.2
303.23257	2.1
317.25015	2.3
319.22690	2.7
321.24234	76.2
322.24478	4.1
323.25742	7.9
333.24164	3.7
335.25793	81.5
336.26175	6.9
337.27502	6.7
389.18323	1.7
442.23495	2.6
507.42017	5.3
581.45648	23.1
582.45148	2.9
599.46582	10.5
778.53320	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	779.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	6.7
69.00745	1.4
69.01088	9.3
71.07379	4.6
81.07040	1.2
83.36095	0.9
86.05697	0.9
86.09701	35.7
87.10064	1.7
89.64657	0.8
98.98447	6.0
104.10735	1.7
125.00005	23.1
146.98184	1.0
161.32092	0.8
184.07335	100.0
185.07683	5.9
190.93201	0.8
226.86368	0.9
345.74115	0.8
501.21631	1.3
779.43304	93.3
780.43555	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	781.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.7
60.04526	1.3
60.05643	1.1
62.07119	0.3
66.18669	0.3
68.05036	0.4
69.07063	0.5
69.71165	0.3
70.06590	100.0
71.06303	0.3
71.06922	1.5
71.29521	0.4
72.08154	5.1
73.08440	0.3
84.04512	1.1
84.08133	2.5
86.09702	19.5
87.10038	0.5
91.05505	0.5
98.06067	0.6
99.09225	0.4
101.07134	0.5
102.05507	0.4
106.12868	0.3
110.07170	1.9
112.08724	3.0
113.07110	0.5
114.09181	0.5
115.08695	2.9
116.07103	2.2
120.08102	1.7
125.10758	0.6
126.05552	0.7
127.08704	0.5
128.10713	0.4
129.10249	1.3
130.09789	0.7
136.07611	1.3
138.98097	0.3
140.08180	3.7
140.14389	0.5
141.10228	0.4
142.75984	0.4
154.16008	0.3
155.08197	1.0
157.09711	3.9
157.10864	0.6
158.09238	2.6
167.08136	1.6
167.11732	0.3
169.20773	0.3
173.12921	1.0
175.11896	5.8
175.13290	0.3
183.11409	1.4
183.14928	16.6
185.09158	3.4
185.16522	0.8
194.12914	0.4
195.07646	0.8
195.11353	0.4
201.12439	0.9
211.14394	9.9
211.16310	0.5
212.14061	0.8
213.12418	0.3
230.15129	0.4
235.14561	0.4
241.19167	0.7
252.17128	0.5
254.16161	0.6
255.14507	5.0
269.18646	0.6
272.17065	3.4
280.16592	4.3
282.21722	0.4
283.09567	0.3
298.17667	3.1
310.21426	1.0
354.21353	0.4
354.94901	0.3
383.26474	0.7
411.26309	0.4
510.33060	0.9
569.53876	0.4
581.37848	0.4
666.57684	0.3
763.47772	0.5
781.49323	54.9
782.49646	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	782.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
56.05036	0.9
58.06628	0.5
59.07397	0.2
60.08162	6.6
67.05501	0.3
69.08122	0.7
70.06579	0.1
71.07372	4.1
72.07700	0.2
79.05507	0.1
81.07045	0.3
81.55466	0.1
86.09702	32.7
87.09563	0.1
87.10011	0.6
95.08603	0.1
98.98460	4.2
99.57478	0.1
104.10740	2.3
124.99998	23.5
126.00346	0.3
143.01044	0.4
184.07333	100.0
185.07701	2.4
186.07773	0.3
210.97789	0.1
311.68488	0.1
313.27078	0.1
377.51257	0.1
440.56177	0.1
520.33783	0.2
639.93719	0.1
781.82397	0.1
782.56750	1.4
783.57141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.1
56.05031	0.8
58.06300	0.1
58.06629	0.5
59.07391	0.2
60.08163	5.6
67.05505	0.3
70.06568	0.2
71.07374	3.2
71.29583	0.1
78.51261	0.1
79.05480	0.1
81.07056	0.3
86.09704	28.1
87.10023	0.6
91.05471	0.1
93.07004	0.1
95.08611	0.2
98.22572	0.2
98.98463	3.5
104.10735	1.9
104.11400	0.1
116.60661	0.1
116.99421	0.1
125.00001	18.7
126.00378	0.2
127.00466	0.1
143.01062	0.3
166.02734	0.1
174.08562	0.1
184.07336	100.0
185.07693	2.8
186.07755	0.4
210.97742	0.1
228.80659	0.1
520.33649	0.2
599.49750	0.1
702.53308	0.1
782.56799	1.8
783.43060	0.1
783.56549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.6
56.05037	8.7
57.20857	0.3
58.06594	1.2
60.04520	0.3
61.01151	4.2
68.05020	0.5
69.03448	0.5
69.07072	0.8
70.06593	100.0
71.04966	0.3
71.06924	1.6
71.08635	0.5
71.29965	0.4
72.08158	21.4
84.04520	0.8
84.08143	2.1
86.09708	10.4
87.10041	0.4
98.06033	1.6
100.07618	0.5
101.07113	0.4
104.05328	20.1
109.02879	0.4
109.07687	0.6
110.07159	0.9
110.09716	0.7
111.09227	0.3
112.87795	0.3
113.12845	0.3
114.09164	0.5
115.08755	0.4
120.08131	1.3
124.11253	0.7
125.07113	2.2
126.05528	0.7
127.03958	0.4
127.07713	0.5
127.08678	11.6
128.76149	0.3
129.10234	4.5
136.07654	0.8
136.08673	0.3
137.07112	0.8
138.10304	0.5
139.08727	0.3
141.10286	0.3
144.10211	0.6
153.10210	1.8
155.08154	46.8
156.08505	1.2
157.09735	0.8
158.10010	2.4
163.03999	0.4
163.08638	0.7
164.08205	3.1
165.10269	0.3
166.09784	0.8
167.11832	0.5
169.13368	15.8
172.11667	4.1
181.09726	11.8
181.11302	0.6
182.09273	0.8
183.09599	0.3
183.14915	1.2
185.16530	1.4
189.12320	2.2
192.11369	0.6
193.09766	0.7
197.12857	6.8
199.05446	0.6
201.10576	3.9
210.08781	1.7
210.12285	0.5
211.08995	0.5
211.14461	1.0
213.16064	0.5
217.13715	0.4
220.10872	1.1
226.15500	15.3
227.15909	0.6
229.10051	11.6
236.13898	0.7
238.11865	14.9
239.12195	0.7
245.13330	0.4
254.15005	24.7
255.15364	1.5
265.02005	0.3
268.11261	2.2
268.16467	0.4
269.16882	0.5
270.12750	0.5
270.18173	0.5
280.95544	0.4
286.12247	21.9
286.17508	14.5
287.12613	0.7
287.18100	0.4
297.16544	0.4
309.19244	0.6
310.21347	0.6
318.09790	0.4
339.18750	0.5
339.23996	3.3
340.16986	0.6
354.18353	0.6
357.19501	8.9
358.19650	0.4
367.18732	0.8
367.23416	12.4
368.23706	0.9
385.19052	14.5
386.19308	1.1
399.20663	0.9
399.25851	5.5
400.26434	0.5
413.25854	0.4
422.27588	5.4
422.69171	0.3
450.27081	0.8
453.25027	0.6
470.27960	13.4
471.28439	0.6
480.26285	0.5
491.25119	0.4
498.27451	40.8
499.27887	3.1
504.71466	0.4
578.38574	0.4
581.31189	0.4
595.32666	1.2
652.40063	1.3
694.39935	1.9
783.43951	11.8
784.44574	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	784.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.6
61.40855	0.3
63.42867	0.3
68.26287	0.3
69.07077	0.9
69.43484	1.3
69.43893	0.4
71.08640	1.3
77.97380	0.3
81.07048	0.4
86.09707	100.0
87.09560	0.3
87.10017	1.5
91.05493	0.4
93.07102	0.4
98.09686	1.5
98.15962	0.3
98.22661	0.3
103.05464	0.8
105.07034	1.2
112.11246	7.5
120.08105	42.3
121.08472	1.4
132.08070	0.4
146.09642	2.0
154.15909	17.2
155.16306	0.4
157.13368	10.8
167.11880	0.4
185.12859	13.6
186.13106	0.3
188.14349	6.1
189.14693	0.5
191.11731	0.6
199.18060	15.9
200.18422	0.8
209.16444	0.5
219.11227	1.2
225.19635	7.3
225.21840	0.4
227.17545	13.4
228.17836	0.5
233.16493	16.4
234.16716	0.7
235.18047	0.3
243.14824	0.5
253.19135	7.0
254.19325	0.4
259.18076	1.7
261.15991	13.8
262.16217	0.7
267.24292	7.5
277.22653	0.4
280.20279	0.3
287.17587	2.8
295.23792	4.3
298.17969	0.6
298.21237	8.0
299.21576	0.4
301.19565	0.5
301.22723	7.0
302.23117	0.7
311.21075	0.5
322.24854	0.3
329.22247	4.2
332.19659	4.9
340.25943	3.1
356.23483	0.5
366.27539	2.3
374.24387	4.8
375.24634	0.5
383.30145	2.0
400.25824	3.1
401.26022	0.4
408.31952	0.8
411.29630	4.4
412.29761	0.6
417.28665	1.6
421.27795	0.3
425.34641	0.5
442.30673	1.8
445.28131	4.9
446.27725	0.3
453.34082	0.8
455.26541	0.4
459.33423	1.3
473.27768	0.6
479.35977	2.4
485.34262	0.3
487.32800	2.7
496.38297	0.8
513.34393	4.1
514.34442	0.6
524.38055	3.0
527.39270	0.3
530.37018	2.9
531.37219	0.4
555.39148	1.7
558.36530	8.7
559.36420	1.2
572.41620	0.5
592.44336	0.8
598.43048	0.4
600.41217	1.4
609.46509	0.5
626.33112	0.4
626.42706	6.2
627.42395	0.8
637.46478	1.6
643.36371	0.3
643.45404	4.1
644.44983	0.5
653.43512	0.9
668.46661	0.6
671.44928	11.0
672.45056	1.7
711.50311	0.4
739.50983	3.0
740.51044	0.6
756.53955	3.9
757.53400	0.8
766.51575	1.4
767.52832	0.4
784.41119	0.3
784.53345	3.9
785.53217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56780	2.5
70.32364	0.6
71.27974	0.7
83.78352	0.8
91.38914	0.6
94.85125	0.6
96.37526	0.6
98.23315	1.5
100.16162	0.6
102.99118	0.8
110.81047	0.6
129.53493	0.7
153.89662	0.8
159.73050	0.7
211.09206	0.6
277.48758	0.8
476.64908	0.7
613.43732	0.8
789.49109	100.0
790.49481	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	24.1
55.12754	4.9
57.03425	17.1
57.07066	7.4
61.02924	5.2
62.51832	4.0
63.22750	3.8
65.03935	8.1
67.05505	91.3
69.07076	23.2
71.31011	8.3
79.05496	78.7
81.07053	80.6
82.07385	3.9
83.08625	3.8
87.09904	4.1
91.05479	71.0
93.07042	61.5
95.04945	8.3
95.08614	52.4
96.12369	3.6
97.06519	5.2
105.07030	51.8
107.08592	25.6
109.10170	23.8
117.07021	21.9
119.08579	43.5
121.10139	25.7
123.11691	6.4
129.06996	7.3
131.08577	21.6
133.10133	32.2
135.11681	19.3
143.02580	3.9
143.08589	6.9
145.10106	18.8
147.11710	12.6
149.13274	7.0
157.10138	9.0
159.11682	19.0
161.13258	27.7
163.14833	8.1
171.11729	9.8
173.13251	11.4
175.14864	12.0
184.07350	6.8
185.13208	9.2
241.19586	18.5
255.32437	4.6
259.20453	18.8
261.21875	6.2
333.24319	34.7
335.25821	100.0
336.25974	6.2
528.97516	4.3
593.45538	6.8
791.50684	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58766	4.3
59.80117	4.7
67.05478	8.0
69.17090	33.7
71.50014	5.0
79.46207	4.3
81.07063	4.5
82.46922	4.9
85.02930	6.5
94.06569	8.0
98.23365	9.7
107.07348	11.8
108.08157	6.0
111.74695	4.6
120.08074	4.6
122.06029	14.0
122.09684	12.4
135.06906	4.9
136.07611	9.3
136.38551	4.7
138.09128	6.0
150.09142	74.7
154.88074	5.0
166.08632	5.4
167.10667	4.8
222.11479	6.7
223.08676	5.1
225.10228	19.6
229.09248	4.7
237.10254	11.3
238.10954	7.8
239.08064	5.7
239.11835	17.5
240.12479	5.7
249.10175	11.4
250.10950	11.3
251.08231	10.6
251.11803	33.1
252.12515	7.0
253.09773	8.1
253.13313	16.3
254.10410	11.9
263.11777	28.0
264.12634	15.2
265.09744	14.0
265.13385	46.3
267.11487	5.5
278.10620	6.2
279.11362	14.5
281.12814	23.4
282.13354	5.9
283.10797	8.6
285.12338	10.4
291.11346	8.9
293.12851	21.4
294.13480	9.9
296.11536	6.6
297.12512	8.2
298.13089	6.3
299.14001	14.2
309.12335	84.2
310.12949	15.5
311.14099	33.6
311.17328	6.3
311.45248	4.9
319.10904	6.7
321.12405	11.3
327.13416	68.4
328.13535	7.0
337.11615	24.2
338.12601	15.2
339.13477	21.8
359.16153	6.8
369.14410	60.9
371.15964	52.4
372.16412	5.6
404.19592	7.0
411.15631	5.3
416.19324	13.4
432.19180	23.8
448.18762	15.1
460.18591	100.0
461.18826	11.6
476.21790	46.0
480.21274	22.1
492.21188	89.9
493.21732	8.9
597.27155	46.8
636.25092	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	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
55.05515	22.3
57.03440	5.9
57.07076	5.3
59.92766	1.8
65.03945	5.8
67.05508	91.4
69.03431	8.7
69.07073	19.4
69.26214	7.2
69.26623	4.9
70.64170	1.8
71.05000	5.3
79.05494	74.1
81.03424	8.4
81.07059	100.0
83.04977	4.8
83.08621	13.3
85.02908	9.9
85.06535	4.1
91.05488	52.6
93.07047	84.2
95.04971	8.2
95.08607	76.3
96.08907	2.5
97.02914	5.8
97.06541	6.0
97.10196	7.1
99.04495	2.9
99.08090	2.8
105.04571	2.4
105.07026	37.4
107.08588	44.6
107.09284	3.0
109.06545	3.8
109.10150	35.7
111.04443	1.8
111.08122	2.5
117.07020	18.7
119.08575	29.5
121.06496	3.6
121.10154	39.4
123.11711	15.7
127.03922	2.8
129.07008	5.2
131.08571	28.1
133.10150	26.1
135.08054	2.1
135.11707	30.4
137.13281	4.7
143.08592	4.9
145.10136	22.0
147.04305	1.9
147.08040	1.9
147.11687	13.4
149.13272	22.1
151.11259	2.0
151.14886	2.2
155.08533	2.3
156.02260	1.8
157.10184	3.2
159.11679	18.7
161.13254	14.4
163.14827	10.4
165.12802	2.5
169.10126	2.5
173.13243	19.6
175.14825	3.6
177.16441	3.7
179.14377	2.8
183.11815	2.0
185.13274	5.2
187.14842	7.9
191.14296	2.2
197.13358	2.1
199.97816	1.7
200.79305	2.0
201.16525	2.7
212.46211	1.8
233.22624	2.4
243.21124	20.6
244.21478	2.1
259.20633	5.6
261.22141	74.7
262.22470	3.6
277.14432	2.5
277.21472	2.7
279.23294	3.9
280.74149	1.9
289.21741	3.0
291.23260	2.8
321.24429	2.8
335.25800	24.4
341.24762	2.7
351.23251	3.0
353.26886	15.2
354.34335	2.1
369.24118	9.4
387.25143	4.5
405.26138	5.3
423.27505	3.1
792.50458	8.1
793.49512	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.5
57.03445	11.4
67.02384	5.1
67.05505	60.2
69.03423	5.7
69.07067	12.3
76.00146	5.0
77.12183	5.0
79.05502	38.6
81.07068	78.3
83.08611	7.7
91.05484	27.1
93.07047	46.1
94.06553	6.3
95.08603	56.6
97.10152	6.2
105.07033	18.1
107.08593	24.8
109.10150	24.4
117.06996	6.9
119.08597	15.4
121.10146	21.7
123.11694	11.7
124.98540	4.6
131.08568	7.8
133.10149	13.5
135.11717	19.6
147.11673	5.7
149.13277	10.3
159.11699	8.4
161.13333	13.3
173.13380	6.6
190.29793	5.3
243.21147	6.9
246.79842	5.1
261.22134	22.3
262.25333	35.5
296.08606	4.7
333.24310	7.1
335.25833	100.0
337.27368	14.2
347.97879	5.3
419.45477	4.9
437.58560	6.4
494.81964	5.2
518.40619	5.5
595.47314	16.7
607.25745	4.9
613.47552	5.3
630.54120	5.6
698.13422	6.0
792.50702	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	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.9
55.05514	11.4
57.03447	7.5
57.07071	2.8
61.02922	1.8
65.03938	2.4
67.05508	47.4
68.05836	0.7
69.07074	12.3
70.54681	1.8
71.04980	1.3
71.08635	1.1
77.03926	1.2
79.05497	29.5
81.07059	47.7
83.04986	1.3
83.08616	6.8
84.95422	0.6
85.02909	1.7
85.06537	2.1
91.03939	0.9
91.04906	0.7
91.05482	17.5
93.07047	33.1
94.07384	1.0
95.04947	3.1
95.08611	39.9
96.08941	1.2
97.02905	1.2
97.06534	2.7
97.10175	3.2
105.06299	0.8
105.07032	14.8
107.07866	1.1
107.08595	20.4
109.06526	1.4
109.10155	20.0
111.08054	1.5
113.09653	0.8
115.05472	0.9
117.07028	5.9
119.08582	13.3
121.10152	18.2
122.10401	1.0
123.08100	1.0
123.11725	6.4
125.09605	0.9
129.06993	1.1
131.08578	11.1
131.74042	0.8
133.10138	11.8
133.99347	0.7
135.11699	11.9
137.09599	1.5
137.13245	1.7
143.08551	2.1
145.10136	7.6
147.11682	8.9
148.95665	0.7
149.13252	7.9
151.14717	0.8
152.18262	0.6
158.45334	0.8
159.11699	7.2
161.13283	6.7
163.14839	5.9
171.11673	2.5
173.13248	7.2
175.14789	4.1
177.16385	1.5
185.13275	1.7
187.14841	3.5
189.16365	1.1
199.14906	1.5
213.14600	0.9
213.16454	0.9
215.17958	1.5
217.19559	1.0
239.41112	0.7
241.19518	2.1
243.21034	5.2
259.20578	7.0
260.20670	0.8
261.22147	20.2
262.22546	1.2
263.23691	2.6
279.23093	0.9
315.23236	0.8
317.24811	2.8
329.15479	0.7
333.24231	6.1
335.25809	100.0
336.26135	7.7
337.27341	8.4
338.27472	1.0
383.05380	0.7
477.07565	0.7
521.43695	1.1
595.47107	10.8
596.47235	1.1
613.48346	7.2
614.48486	1.5
616.06641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05519	20.4
55.23544	1.1
55.72382	0.8
57.03440	11.0
57.07086	2.4
58.48629	1.0
61.02937	2.7
65.03946	3.9
67.05512	66.9
68.05846	1.5
69.07078	17.0
71.04996	2.1
71.08618	1.0
73.02924	1.1
77.03905	1.0
79.05500	40.5
80.05858	1.2
81.07065	62.7
82.07393	1.6
83.05003	1.7
83.08615	9.0
85.02926	2.2
85.06541	2.1
91.03949	1.1
91.05491	25.7
93.07054	50.5
95.04974	3.6
95.08615	51.6
97.06544	3.8
97.10176	4.6
98.23444	1.9
99.08120	2.2
105.04538	1.1
105.07045	19.2
107.08604	28.3
109.10168	20.3
109.10912	1.1
111.08095	1.4
111.11731	1.3
117.07039	8.2
119.08590	17.0
121.10153	22.4
123.08060	1.1
123.11737	9.4
129.07011	1.2
131.08585	14.2
133.10143	14.6
135.11716	16.0
137.13283	3.5
143.08611	1.8
145.10126	11.8
147.11696	9.3
149.09648	1.3
149.13255	10.4
151.11218	1.5
157.10162	2.4
159.11679	9.5
161.13290	5.5
163.14835	5.3
171.11734	2.3
173.13300	7.3
175.14864	3.9
177.16373	1.8
185.13371	1.8
187.14847	4.3
199.14909	2.0
201.16420	1.4
219.17529	1.3
231.21060	1.6
241.19542	3.1
243.21086	6.6
245.22743	1.2
259.20679	6.7
261.22156	21.4
262.25272	7.5
263.23553	1.8
279.23471	1.2
317.24881	3.1
323.29309	1.2
333.24127	5.0
334.24878	1.3
335.25824	100.0
336.26105	7.2
337.27435	9.7
353.27139	1.3
521.43549	1.8
564.09332	1.1
595.47314	13.1
613.48285	8.5
747.12402	1.3
792.53021	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05512	23.2
57.03429	7.7
57.07079	4.5
65.03935	4.1
65.56862	1.5
67.05505	97.5
69.03423	11.8
69.07066	23.5
69.23393	6.9
69.23798	3.2
71.05000	5.4
73.02894	1.9
75.04474	1.9
77.03910	2.0
79.05492	76.9
80.05828	1.9
81.03413	12.0
81.07056	97.9
83.04974	5.1
83.08609	15.4
85.02900	13.1
85.06542	4.6
87.04459	2.0
91.05479	52.2
92.05816	1.9
93.07045	89.3
95.04969	8.9
95.08607	77.7
96.08933	1.7
97.02906	10.1
97.06564	7.1
97.10159	2.7
98.22591	2.7
99.04450	5.1
99.08129	4.6
103.03940	2.4
105.04561	1.6
105.07030	38.5
106.07379	2.1
107.04964	2.0
107.08594	57.0
108.08924	1.7
109.02904	2.4
109.06507	4.5
109.10158	39.3
109.10909	2.1
111.04445	5.4
111.08101	3.6
111.11718	2.4
113.09632	1.9
115.05484	2.2
117.07016	20.7
119.08585	33.7
120.08913	2.5
121.06499	2.3
121.10142	48.4
122.10465	1.8
123.08087	4.4
123.11702	19.9
125.09653	3.0
127.03944	4.8
128.06215	2.1
128.81523	1.9
129.05510	2.7
129.07011	5.3
131.08569	36.9
133.06493	3.4
133.10132	29.3
133.11076	2.9
135.08086	1.5
135.11691	36.1
137.09625	2.4
137.12361	1.7
137.13280	6.4
139.11136	1.9
141.06976	2.5
143.08534	7.5
145.04933	3.2
145.06442	1.7
145.10133	27.9
147.08023	1.8
147.11693	19.8
149.09576	2.0
149.13243	23.6
150.13612	2.1
151.07678	1.8
151.11180	2.9
151.14836	3.1
155.08492	3.7
157.10162	6.4
159.08072	2.2
159.11691	21.5
161.13252	15.6
163.11139	3.3
163.14819	17.0
165.12799	3.3
169.10170	3.1
171.08154	2.0
171.11707	7.1
173.09570	1.9
173.13263	25.0
175.11200	2.6
175.14848	6.2
177.12759	3.5
177.16394	6.4
178.16902	1.6
179.14354	2.8
181.10242	2.0
183.11766	1.4
185.13246	5.8
187.11208	3.1
187.14806	14.2
187.84618	1.5
189.16289	2.8
191.14342	1.9
195.11742	2.5
197.13341	2.7
199.11263	1.8
199.14871	3.1
201.12701	2.3
201.16362	5.1
203.14468	1.7
205.15926	2.8
209.13358	1.9
215.17888	2.9
227.14375	2.5
233.22659	4.2
241.19481	2.4
243.21063	34.8
243.93613	1.5
244.21384	2.8
249.14848	1.9
259.20676	7.0
261.22131	100.0
262.22458	7.9
271.17056	1.6
271.20554	1.5
273.22137	2.6
275.19662	1.7
277.14551	2.0
277.21625	4.3
279.23257	2.4
285.22046	1.6
289.21603	2.8
291.23300	2.2
297.21805	1.8
301.21469	3.0
303.23267	4.5
315.23154	4.1
317.24640	1.9
319.22565	2.4
323.23831	1.6
327.23221	2.6
335.25803	18.2
336.26233	2.6
341.24640	2.1
345.24292	1.9
351.23090	6.0
353.26877	17.4
369.24292	15.8
387.25375	10.8
405.26303	11.2
406.26953	1.8
423.27383	6.2
575.50012	4.9
792.49847	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	794.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.6
57.07082	7.7
61.02922	5.8
65.03940	3.0
67.05512	99.9
68.05845	2.0
69.03439	1.7
69.07076	39.3
69.67106	1.4
71.05015	2.4
71.08646	4.0
73.02872	1.8
77.03903	1.3
79.05501	48.5
81.07066	100.0
82.07408	2.0
83.04989	2.8
83.08631	19.6
85.02927	3.5
85.06572	2.7
91.03943	2.8
91.04939	1.1
91.05485	30.1
91.06023	2.8
93.06471	3.0
93.07056	54.9
94.07370	1.5
95.04977	3.3
95.08617	80.5
96.08904	1.6
97.02905	2.1
97.06540	5.9
97.10171	8.2
98.22574	3.0
99.08103	2.8
105.07044	22.0
107.07879	2.2
107.08604	35.9
109.06508	3.0
109.10168	31.3
111.08105	2.8
117.07035	6.5
119.08598	22.2
120.08893	1.4
121.10151	25.1
122.10401	1.5
123.08110	2.1
123.11722	16.0
125.09735	2.3
127.72948	1.3
131.08553	11.2
133.10155	15.4
135.11711	18.9
137.13260	6.0
143.08522	1.6
145.10115	8.8
147.11711	11.2
149.13264	10.9
151.14822	1.9
159.11700	7.9
161.13283	9.1
163.14812	6.6
173.13286	6.9
173.69699	1.4
175.14861	4.8
177.16348	1.9
185.13252	2.3
187.14835	2.9
189.16382	1.7
241.19427	2.2
243.21074	6.8
245.22650	3.5
259.20612	5.1
261.22198	19.2
263.23743	4.1
287.17056	1.6
317.24774	4.0
333.24344	4.2
335.21741	3.1
335.25839	73.2
336.26099	5.2
337.27377	80.6
338.27704	5.1
339.28946	5.5
523.45062	2.1
597.40448	2.3
597.48895	22.5
598.49182	3.0
615.49854	18.5
616.49585	3.8
794.37451	2.4
794.51746	42.4
795.52203	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	795.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05056	0.6
57.65368	0.3
64.41193	0.3
67.05493	0.3
68.05019	0.9
69.07066	2.5
69.28602	2.7
69.61535	0.3
71.08632	0.8
75.05585	0.3
81.07072	0.9
86.09705	100.0
87.10044	1.4
87.68389	0.3
93.07102	0.4
95.08638	0.4
97.06512	2.3
98.09693	24.1
99.05564	0.6
106.97876	0.3
110.09677	0.8
114.09140	0.6
124.76152	0.3
126.09172	2.1
127.12280	0.3
132.10199	2.9
137.57597	0.4
143.11795	40.1
144.12128	1.1
153.10236	0.4
154.15903	7.2
155.11804	3.7
155.16324	0.3
171.11290	9.9
182.15417	3.1
183.11296	3.6
184.07390	0.4
189.12413	2.0
199.21907	0.3
200.16461	7.1
210.14847	0.9
211.18048	60.8
212.18425	2.5
221.16490	1.4
223.17934	0.4
228.15935	5.4
239.17540	10.9
239.19980	0.6
245.18507	0.7
249.15868	2.1
257.18604	8.5
267.17014	6.1
285.18054	6.2
295.23868	0.6
296.19763	0.4
302.20770	1.1
313.24872	2.2
323.23492	0.5
342.20178	2.2
352.25726	0.5
353.24393	3.0
370.26987	24.3
371.27307	1.7
382.27023	0.6
398.26532	5.8
399.26926	0.4
410.26294	0.5
416.27335	0.6
423.51822	0.4
427.29047	4.2
438.33276	19.1
439.33423	2.1
455.28677	3.5
457.39783	0.4
466.32813	7.7
467.33133	0.7
484.33780	0.4
494.31564	0.3
495.34821	0.5
512.33466	2.4
523.34912	8.9
523.42700	0.5
524.34796	1.1
529.35950	0.4
540.37274	1.0
561.39783	1.6
569.34991	1.2
579.40753	1.0
586.38306	2.1
597.42072	5.1
598.42224	0.9
608.43353	0.7
612.78607	0.4
622.27496	0.4
625.41821	4.5
626.41870	0.5
636.42535	0.7
642.43280	0.3
650.01508	0.3
654.44543	1.7
658.84167	0.4
663.44098	0.9
664.42639	0.8
682.43817	5.0
683.43610	0.5
710.50000	1.1
731.41235	0.4
749.51343	0.8
767.52716	16.9
768.53204	2.3
777.50555	1.0
795.51038	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	796.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35639	2.2
57.03426	7.3
57.07078	7.7
61.02910	2.3
67.05508	54.0
68.80405	2.3
69.07076	28.7
71.04987	2.2
71.08633	2.5
73.38319	2.2
79.05510	16.5
81.07057	62.2
83.08621	17.5
85.02928	2.4
91.05483	11.0
93.07055	22.9
95.08608	49.6
97.02892	2.3
97.06532	4.2
97.10178	7.8
98.22574	5.6
99.08070	3.6
100.34019	2.9
105.07005	9.5
107.08621	13.5
109.10153	20.5
111.08058	4.2
114.83492	2.1
115.81918	2.0
119.08586	5.6
121.10141	10.8
123.11720	9.6
131.08551	2.9
133.10124	6.1
135.11702	6.9
137.13235	2.8
146.43628	2.2
147.11682	7.0
149.13222	4.7
159.11682	2.5
161.13229	5.2
163.14822	5.1
175.14957	3.0
176.36925	2.4
194.43774	2.6
200.01544	2.3
240.92419	2.7
245.22630	3.6
253.58470	2.5
261.22119	6.1
263.23715	7.1
317.70938	3.0
335.25842	5.4
337.27359	100.0
337.31442	5.4
338.27551	4.4
339.29037	11.7
363.28464	3.1
510.30698	3.7
599.50244	28.3
600.50482	3.8
617.51453	22.7
796.55322	41.7
797.53650	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
61.02926	10.1
67.05505	8.0
69.03430	5.0
69.07072	2.7
69.89972	0.4
70.80547	0.7
71.01369	0.6
71.04990	1.0
73.02548	0.9
73.02922	6.9
74.92585	0.4
76.79984	0.5
79.05489	5.5
79.05929	0.7
81.03417	2.5
81.07066	7.9
83.05004	0.6
83.08643	1.2
85.02907	8.2
87.04491	0.7
91.03964	5.0
91.05469	2.9
93.07049	7.0
95.08612	6.5
97.02897	8.7
97.06545	0.7
99.04459	1.2
101.02382	3.0
105.07045	1.9
107.08616	3.5
109.02877	0.9
109.10149	2.1
115.03969	0.6
117.07054	0.8
119.08598	1.3
121.10166	2.7
127.03925	2.6
131.08607	0.9
133.10165	1.3
135.11681	1.4
147.11736	0.5
149.13347	0.5
156.51700	0.5
158.07729	0.5
171.36079	0.5
173.13278	0.6
180.31375	0.5
185.04240	0.8
203.05310	0.6
243.08430	2.2
335.26141	1.0
491.93829	0.5
519.29291	15.7
520.29706	1.3
797.51678	100.0
798.52124	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
61.02928	7.7
61.11415	0.6
65.03928	0.7
67.05505	6.9
68.05831	0.5
69.03431	4.0
69.07073	2.0
69.08351	0.9
69.08699	5.2
69.26854	0.5
71.04991	0.9
71.08606	0.5
73.02909	4.4
79.05494	3.9
81.03439	1.8
81.07049	7.5
83.08643	1.2
85.02908	7.1
87.04481	0.7
91.03960	4.7
91.05492	2.4
93.07043	3.6
95.08607	5.1
97.02898	6.3
99.04438	0.8
101.02354	2.6
105.07051	1.7
107.08609	2.3
109.02904	1.1
109.10177	2.3
111.11676	0.6
119.08588	1.3
121.10176	1.6
123.11713	0.9
127.03951	2.0
131.08603	0.9
132.93489	0.7
133.10182	1.0
135.11707	0.9
145.05072	0.6
145.46671	0.5
147.11754	0.8
172.23148	0.6
184.07303	1.0
185.04338	0.6
243.08453	1.1
315.50131	0.7
394.71634	0.7
489.14493	0.6
519.29138	7.5
520.29712	1.0
521.30719	7.0
522.31689	0.7
568.79889	0.6
615.64880	0.6
753.70813	0.6
768.19623	0.6
799.53180	100.0
800.53583	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	800.6239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	5.8
58.06602	3.0
59.04994	0.4
67.05489	0.3
69.07069	11.5
69.27005	0.3
69.28967	1.1
70.06599	0.3
71.08631	2.6
75.61254	0.2
81.07044	0.4
83.08618	7.8
85.10186	1.5
95.08579	0.2
97.10173	5.8
97.86363	0.2
98.10499	0.3
98.23329	0.3
111.11726	2.4
125.13240	0.4
204.67091	0.3
225.84840	0.2
255.68822	0.2
268.29984	92.8
269.30450	5.7
278.71802	0.2
286.31036	100.0
287.31342	5.3
578.24725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.91798	0.6
61.02936	7.3
62.29153	0.7
67.05518	7.6
69.03133	0.6
69.03426	3.3
69.07086	2.7
70.94654	0.8
70.95019	1.1
73.02927	5.2
79.05513	1.8
81.03438	2.5
81.07063	8.4
83.08642	1.6
85.02914	7.3
87.00427	0.7
90.31738	0.6
91.03967	3.8
91.05507	1.3
93.07082	2.6
95.08611	6.4
97.02908	6.3
97.06546	0.9
99.04482	0.9
101.02391	2.7
105.07069	0.7
107.08648	1.3
109.02857	0.7
109.10176	1.8
115.03929	0.8
119.08620	1.2
121.10190	1.7
123.11727	0.7
127.03961	1.7
127.85321	0.6
133.10130	1.4
135.11703	0.7
145.05084	0.8
169.53522	0.7
203.05405	1.1
243.08458	1.5
337.27664	0.8
521.30957	17.1
522.31372	1.9
622.24359	0.8
631.48895	0.7
659.61603	0.9
801.54883	100.0
802.55078	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.8
67.05521	4.4
68.05048	2.5
69.07073	6.5
70.06592	17.5
70.46021	4.1
72.08142	1.9
79.05511	4.0
81.03442	2.0
81.07092	5.3
82.06583	4.0
84.08200	2.0
86.19677	1.6
91.05501	6.6
93.07069	7.2
94.06590	7.0
95.08611	2.3
96.08154	6.2
98.23353	2.0
105.07054	5.8
106.06579	2.3
107.07371	7.0
107.08594	3.3
108.08096	14.0
109.02910	2.0
110.09695	4.3
113.30795	1.8
117.07072	2.3
120.08142	7.0
121.02879	10.5
122.09697	6.0
124.11253	1.9
127.09942	3.1
136.11240	2.7
140.10712	3.2
145.02904	2.1
150.12900	2.4
166.33286	1.7
176.21452	1.9
189.01862	4.2
190.16002	2.3
191.03371	2.3
192.17570	3.1
203.03494	2.8
207.03038	3.2
217.05112	1.9
218.15436	8.8
219.02861	2.3
220.16962	52.5
221.17471	3.7
236.16505	3.6
238.18024	71.2
239.18396	3.3
256.19110	43.6
279.06894	2.0
283.06183	3.0
286.99066	1.8
294.05304	6.0
295.06012	23.2
296.06421	2.6
297.07544	2.6
307.05984	22.5
308.06854	3.9
309.07587	9.4
313.07468	2.1
319.06174	3.5
320.06848	3.3
321.07565	12.5
325.07043	16.6
327.08841	4.4
333.07697	6.0
335.09137	5.0
337.07047	15.7
339.08688	3.1
345.07501	3.0
347.09326	2.8
349.07059	10.3
350.55045	2.0
351.08908	4.4
355.08212	2.0
361.07254	9.4
363.08817	5.7
367.08255	5.1
373.06964	4.3
379.08334	8.4
382.22806	2.7
391.08093	15.0
400.23578	4.8
405.10498	2.3
409.09421	5.4
445.09335	2.3
553.00201	2.2
712.29742	16.7
742.30267	3.0
748.29749	3.1
766.30768	9.5
784.31726	39.7
785.31824	5.1
802.32751	100.0
803.33075	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.6
58.06604	6.8
67.05514	10.4
69.03432	1.9
69.07066	3.5
70.06594	53.8
71.06934	1.5
72.08152	6.0
79.05491	5.7
80.05013	1.2
81.03420	1.9
81.07057	12.9
82.06586	2.6
83.08616	1.2
84.04526	4.0
84.08155	5.2
85.02905	1.7
86.09710	9.0
91.05471	4.5
93.07055	3.5
95.04951	1.1
95.08619	12.0
96.08127	5.8
97.02914	1.4
97.08939	4.2
98.06062	1.5
98.09724	2.7
98.22606	3.8
104.66456	0.9
105.07088	2.7
107.08617	3.1
109.02863	1.1
109.10170	2.3
110.07161	2.0
110.09687	4.9
112.11345	1.2
114.09196	4.1
119.04952	3.2
119.08647	1.4
120.08131	3.5
121.02863	8.7
121.03576	1.0
121.10155	2.3
124.11228	1.1
126.05577	1.2
128.73257	0.9
129.10272	2.8
136.07590	2.2
138.12796	1.3
145.02924	2.0
147.04494	1.2
183.08405	1.0
183.14793	1.1
189.01833	2.2
191.03398	1.4
194.18921	1.5
197.29211	0.9
203.03432	2.9
205.12277	1.0
207.02975	2.6
219.03062	1.4
219.85306	0.9
220.16965	5.9
221.04445	1.0
222.18535	67.4
223.18909	3.7
238.17995	4.5
240.19586	48.6
241.19997	2.0
256.19174	2.5
258.20660	8.9
281.08136	1.5
282.20837	1.5
283.06088	3.5
293.08084	1.1
294.05255	7.4
295.05978	20.5
296.06790	2.9
297.07553	4.9
305.08182	1.0
307.06006	17.4
307.09366	1.6
308.06805	4.4
309.04282	1.7
309.07568	9.7
310.08096	1.1
313.07193	3.1
317.08371	1.2
319.06100	2.0
320.06882	1.6
321.07605	11.1
322.08255	2.4
323.05722	1.5
323.09140	1.8
325.07050	16.1
327.08463	5.6
329.07880	1.4
333.07721	7.6
334.08160	1.3
335.09207	5.9
337.07086	15.6
338.07578	1.7
339.08771	2.0
345.07739	3.8
347.09100	2.3
349.07144	10.8
351.08765	4.8
355.08176	1.2
361.07013	8.5
363.08432	7.0
364.08905	1.0
365.10422	1.3
367.08289	3.1
373.07108	4.9
375.08569	3.2
377.10199	1.1
379.08197	9.8
384.23929	4.4
391.08063	13.5
393.10092	2.1
402.25064	3.0
403.08292	3.0
405.10464	1.4
409.09232	6.4
415.07993	1.3
421.09283	2.4
427.10376	1.5
433.09207	1.8
439.10812	1.4
457.09808	1.5
528.26654	6.3
546.25372	1.3
558.25110	1.3
576.25848	1.4
593.93011	1.1
600.25995	1.8
619.86682	1.0
630.27179	2.7
631.27716	1.1
648.28540	1.5
666.28925	3.3
714.30890	12.6
715.31409	1.2
738.31854	1.8
744.32507	2.5
750.31177	2.3
768.31995	11.2
786.33270	43.0
787.33167	6.1
804.34271	100.0
805.34479	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04998	1.9
58.06599	7.2
65.03911	1.0
67.05501	11.1
68.04990	0.7
69.03371	0.7
69.07078	3.8
69.48103	2.6
70.06594	37.3
71.04918	0.6
71.06901	0.6
72.08114	2.5
79.05492	5.4
81.03398	1.1
81.07060	13.8
82.06578	4.9
83.04956	0.6
83.08585	1.7
84.04471	2.6
84.08128	3.4
85.02884	1.3
86.06020	0.5
86.09666	2.7
91.05473	3.9
93.07034	5.5
94.06541	1.6
94.20494	0.6
95.04960	0.7
95.08065	0.8
95.08606	12.1
96.07660	0.5
96.08124	6.4
97.06506	0.6
97.08862	2.1
97.10144	0.6
98.09648	2.7
101.89285	0.5
105.07037	2.8
106.60284	0.6
107.08547	2.7
108.08092	1.7
109.02871	0.6
109.10131	1.4
110.09662	5.2
114.09174	3.5
119.04925	1.6
119.08543	1.7
120.08044	0.9
121.02867	11.0
121.10146	1.5
122.09618	1.2
123.08077	0.8
124.11198	0.9
125.09615	0.7
129.10207	0.8
133.10077	0.5
136.07550	1.1
137.09689	0.6
138.12787	0.7
145.02852	2.0
145.10126	1.5
147.04370	1.1
152.14377	0.8
159.04399	0.8
161.02171	0.6
163.03876	0.9
177.05444	0.6
179.03348	0.7
187.03859	0.8
189.01788	3.6
191.03368	2.3
194.18996	1.5
195.02875	1.4
195.19705	1.1
199.03871	1.1
201.01671	0.6
203.03374	2.8
205.04985	0.7
207.02829	2.1
213.01857	0.6
215.03352	1.8
218.15385	0.6
219.02884	1.6
220.17026	4.4
221.04443	0.9
222.18521	79.1
223.18845	3.5
229.04973	0.7
231.02939	0.9
233.04434	0.8
234.18423	0.7
235.05946	0.6
238.17989	5.2
240.19568	59.3
240.37964	0.7
241.19844	2.5
245.04451	1.2
255.02814	1.4
256.19113	3.3
257.04523	0.7
258.20630	11.5
259.20868	0.9
267.06516	0.9
268.07080	1.1
273.04166	0.7
279.06537	1.6
281.08090	2.5
282.20621	1.3
283.05997	3.4
284.06717	1.1
292.07236	0.6
293.08051	1.2
294.05157	6.7
295.06012	21.5
296.06622	3.0
297.04587	0.6
297.07483	4.0
298.08405	0.8
305.08060	1.6
307.06012	20.7
307.08990	0.7
308.06638	6.6
309.04105	0.9
309.07529	11.3
310.07870	1.0
311.08972	1.0
313.07138	3.4
317.08090	2.0
319.06046	3.5
320.06711	2.1
321.07535	11.6
322.08255	2.1
323.05469	1.7
323.09149	1.8
325.07028	16.4
325.10757	1.0
326.07358	1.0
327.08664	5.0
329.08124	0.9
333.07663	6.8
334.08292	2.0
335.05426	1.1
335.09055	6.7
336.06256	1.5
337.07040	16.1
337.10834	1.2
338.07516	1.9
339.08597	3.6
345.07556	3.9
346.08182	0.7
347.09085	2.8
349.07040	10.6
349.11099	0.8
350.07684	1.4
351.08585	5.4
355.08130	1.0
359.09018	1.1
360.10233	0.7
361.07028	9.5
362.07501	1.7
363.08609	8.2
367.08221	3.3
368.08749	0.6
373.07031	5.6
375.08603	3.3
377.26599	0.7
379.08090	10.5
384.23849	4.6
387.08618	1.3
391.08084	15.0
392.08710	1.6
393.09656	2.5
397.09006	0.8
401.10748	0.6
402.24716	3.1
403.08221	2.1
405.09726	1.4
409.09256	6.0
410.09460	1.1
415.08395	1.2
417.09677	1.0
421.09286	2.3
423.73093	0.6
427.10077	1.1
433.09348	1.9
439.09830	1.2
445.09219	1.2
451.10410	0.8
457.10010	0.8
463.10251	1.2
475.09921	0.8
493.11133	0.9
530.25385	0.8
546.24780	1.3
558.25079	1.9
564.25812	0.8
576.25970	1.9
584.26617	0.9
594.26471	1.0
600.26160	2.6
612.25922	1.1
630.27246	2.3
648.27930	1.6
666.29333	3.1
684.30286	0.7
696.29688	1.0
714.31158	15.8
715.31299	2.9
738.31390	1.7
744.31757	2.7
750.31262	3.4
768.32251	15.0
769.32751	1.8
786.33234	49.1
787.33752	7.1
804.34290	100.0
805.34595	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	804.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.6
58.39330	0.7
59.75830	0.8
60.04524	5.5
64.69465	0.7
68.89613	0.8
69.03422	1.1
69.07068	1.3
69.82128	3.6
70.02948	13.0
70.06584	10.2
72.04522	2.2
72.08175	4.5
75.05604	1.9
75.47858	0.8
81.84201	0.8
82.02930	0.9
83.06102	4.3
84.04507	1.7
84.08144	4.6
85.04044	2.1
86.09703	100.0
87.05591	10.5
87.10033	2.0
88.03988	24.3
89.94672	0.7
96.04473	1.5
97.02907	1.3
97.07672	0.9
98.02389	1.2
98.06063	1.0
98.09684	7.1
98.22636	1.0
99.05580	7.2
100.04024	1.1
101.07147	3.3
102.05528	1.1
106.74718	0.7
109.03984	1.1
110.02398	3.9
110.07171	2.6
110.09684	1.9
111.05579	4.7
115.05042	12.5
117.06599	1.4
120.08143	1.6
125.07127	0.8
126.09151	1.7
127.05035	17.2
127.12298	0.8
128.05357	0.8
128.10698	5.4
129.06601	2.6
129.10245	4.2
130.05049	0.9
133.04941	1.0
133.06168	1.2
135.04488	1.0
136.07457	0.9
137.03503	1.1
139.05009	6.4
139.12317	2.2
141.06599	1.6
143.04530	1.8
143.11804	6.1
144.07730	1.4
145.06075	10.4
150.01878	1.5
154.15924	2.5
155.04529	2.4
155.11798	14.3
155.12968	1.3
156.02875	1.7
157.06100	3.5
158.09280	2.3
161.06006	1.0
167.04543	5.3
167.11832	3.3
171.11287	7.4
172.07213	1.4
173.05574	14.3
173.12860	8.2
179.04570	2.2
181.06001	0.8
183.11299	11.3
184.07176	1.7
185.05585	7.3
185.12798	1.4
190.08232	1.6
194.12796	1.0
195.11301	6.8
196.07202	3.0
197.12997	1.0
201.12364	2.8
203.06567	2.5
203.13861	1.8
207.04082	2.0
211.18080	2.3
212.06718	2.0
212.13980	2.5
213.05055	1.5
213.12390	2.5
214.08228	1.8
223.10783	4.7
224.06638	5.5
224.13960	1.1
225.05081	2.2
226.08035	0.9
226.15523	1.6
228.13477	2.9
230.07780	6.5
231.06091	4.6
232.09203	1.5
240.13557	2.8
241.09332	1.3
241.11824	1.9
242.07687	8.9
245.18610	3.7
250.12387	0.9
252.13477	1.1
254.07747	1.5
258.14545	1.8
259.09622	1.7
260.08743	4.1
269.08740	1.5
270.07245	4.7
279.17151	1.6
281.08899	2.1
288.08231	3.9
296.19724	1.2
297.15567	1.3
298.14041	3.3
299.09924	1.8
311.09692	1.2
315.16425	1.0
321.08231	1.6
327.09341	3.2
327.16693	1.3
339.09430	2.5
343.16141	7.2
345.10422	6.5
345.17422	1.0
351.09488	2.1
355.16122	3.4
356.14700	1.4
357.10553	1.7
373.17160	2.8
375.11508	1.3
395.15848	1.1
402.12592	2.4
410.23788	1.1
411.22504	1.0
412.18246	2.3
413.16635	2.7
414.12555	1.3
430.19342	1.1
440.17587	2.7
452.17715	1.0
453.13654	1.5
458.18729	10.9
459.18985	1.1
468.24341	1.4
469.20288	1.4
470.19009	3.2
471.14789	2.3
486.25555	1.5
487.21268	1.3
497.19937	2.9
499.21078	1.1
509.19235	1.3
515.20850	2.3
525.27173	1.2
527.21210	1.8
539.20605	1.2
545.21936	2.6
549.19165	1.1
556.23297	3.1
557.22089	1.2
566.21942	5.5
574.24426	2.4
584.23004	13.0
585.23578	1.8
602.24182	10.0
603.24396	1.1
634.27045	2.6
640.29285	0.9
652.29443	1.2
669.31641	3.7
679.30145	2.9
680.30762	1.4
687.32794	4.4
697.31329	10.7
698.31287	1.3
715.32611	6.4
786.35742	3.5
804.36945	20.2
805.37183	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	804.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06794	2.1
57.07076	35.4
59.04966	0.9
65.58260	1.0
67.05501	2.1
69.07068	6.0
71.04993	1.1
71.08629	29.3
71.29729	1.4
73.02906	1.8
73.06558	10.1
81.07047	1.5
83.08619	4.7
85.10184	18.9
87.04472	10.6
89.06031	100.0
91.07584	1.3
95.08588	1.5
97.10181	4.6
99.11735	2.7
107.07086	3.6
109.78788	1.1
111.11719	2.2
113.13313	1.2
117.09135	8.4
125.13299	2.0
127.14844	1.5
130.08690	3.1
131.07057	3.5
133.08600	47.3
135.10185	1.2
141.16382	1.3
146.98259	1.7
150.85249	0.9
161.11777	2.0
165.62328	1.0
175.09708	1.3
177.11229	20.4
177.12642	2.0
197.22659	2.5
203.89372	0.9
221.13914	3.2
241.25282	2.3
248.19655	1.0
283.17636	1.5
285.27771	4.9
329.30594	1.9
453.47388	1.1
475.62173	1.4
651.32001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.3
65.66663	0.8
67.05510	2.0
69.03426	3.7
69.05962	8.8
70.06235	1.6
70.06586	9.5
70.71078	0.8
72.08141	4.0
79.05491	1.9
80.05001	1.4
81.03421	1.4
81.07079	1.3
82.06573	1.3
82.33036	0.8
82.37911	0.9
84.08134	2.5
85.02910	4.9
86.09710	4.0
89.03936	0.9
91.05467	2.8
91.08617	1.2
92.05011	1.6
93.05796	1.5
93.07045	2.9
94.06573	7.5
95.04967	0.8
95.07336	3.1
96.08134	6.2
97.02903	2.5
99.04408	0.9
100.11272	1.0
103.05470	1.5
105.07024	1.0
106.06569	2.6
108.04498	2.7
108.08111	13.6
109.02887	1.3
110.06036	2.9
110.09680	8.3
116.04987	2.8
118.06495	1.7
119.05031	0.9
120.04465	5.1
120.08108	11.1
121.06506	1.0
121.10138	0.8
122.06018	7.5
122.09689	1.6
124.07595	5.9
127.03902	1.6
130.06551	1.0
132.08113	0.9
134.06021	7.7
136.07574	12.9
138.05531	1.0
138.09137	14.1
139.09538	1.1
144.04457	5.8
145.05005	1.1
146.06003	7.6
148.07556	4.9
150.09145	2.5
152.07066	2.5
160.03952	3.7
162.05525	3.5
164.07079	5.2
166.08630	20.7
169.13368	1.1
172.03926	23.7
172.07602	1.2
172.10378	0.9
174.05522	2.5
176.07074	3.5
182.09732	1.1
183.09160	1.5
184.09897	1.4
187.08687	0.9
190.04980	20.1
194.08273	1.1
194.62617	0.9
196.09903	1.0
197.10739	3.0
199.08713	1.3
199.12314	2.9
204.06549	44.5
205.06914	1.9
207.09145	1.0
209.10776	1.5
210.09286	1.8
210.11156	0.8
210.14861	1.1
211.08591	4.8
211.12244	1.7
212.09273	2.1
213.10181	1.8
221.10754	1.5
223.08502	1.8
223.12251	1.2
224.07275	1.0
224.09441	3.1
225.10188	12.7
226.10870	2.1
227.11777	14.7
236.09447	2.9
237.10213	5.9
238.11079	3.2
239.11790	7.4
240.08739	1.0
240.12506	1.1
241.09705	2.1
241.13312	1.9
243.11182	1.0
245.12880	0.8
248.09506	1.2
249.10225	3.2
250.10876	1.8
251.08020	1.2
251.11810	6.8
252.12585	1.8
253.09697	7.4
253.13365	2.3
255.11243	2.2
257.13013	1.0
263.11829	3.3
264.08984	3.5
265.09753	3.7
265.13303	2.5
266.10416	1.7
267.11237	4.2
269.12839	18.3
271.10812	8.7
271.13507	1.3
273.12289	4.5
275.11752	1.0
277.09753	3.8
278.10510	1.2
279.11166	8.1
281.12888	3.8
283.10791	6.8
284.11536	4.3
285.12277	7.0
286.13126	1.4
287.13910	13.7
289.09613	1.2
291.11124	1.9
293.09427	1.4
293.12817	1.8
295.10760	3.6
296.11267	1.1
297.12308	10.7
298.13000	0.8
299.14050	6.4
300.14960	1.1
307.10703	2.4
309.12250	3.8
311.14078	2.3
312.15036	1.8
313.11914	1.7
314.12875	3.1
315.13748	2.1
316.11093	1.5
316.14456	2.5
321.12393	1.4
323.10254	6.7
323.13605	1.2
325.11771	21.2
326.12512	1.7
326.16418	1.2
327.13553	4.0
327.17200	2.0
328.10782	3.3
328.14603	3.9
329.15085	1.4
330.12320	1.6
330.16043	2.2
331.16806	2.3
339.13879	2.5
340.14636	1.0
341.11755	1.5
342.12387	7.2
342.16061	2.2
343.12903	8.7
344.13699	1.6
352.14410	1.2
354.16144	1.4
355.13293	1.9
356.13876	6.3
356.17792	1.3
357.14481	16.0
358.15427	6.5
365.11279	1.8
366.15994	1.0
367.13205	2.4
368.14270	1.3
369.15121	1.9
370.11554	1.4
370.15649	6.7
371.16144	2.0
372.17139	1.4
378.17944	1.1
380.13821	1.9
382.11993	4.0
383.12482	3.0
384.13150	5.1
385.14148	2.2
386.14835	3.0
386.18890	3.0
387.15552	1.7
388.16455	1.7
390.18179	3.1
394.15118	1.8
397.15234	1.2
398.14972	19.6
398.19666	1.5
399.15750	31.5
400.16370	3.3
402.18292	1.2
404.16003	5.4
412.16531	2.7
414.18301	4.1
416.15979	18.0
417.16812	2.2
422.16745	2.8
428.15717	3.7
430.17743	3.6
440.16177	6.7
441.14771	2.1
446.17038	12.0
447.17819	1.2
448.18088	2.2
453.16397	1.4
458.17029	32.3
459.17209	4.3
460.18768	1.9
471.17435	1.9
478.19601	2.9
487.17126	7.3
488.17593	1.9
490.19760	11.0
491.19754	1.4
513.18268	0.9
565.24231	1.4
567.25818	2.1
569.23669	5.7
583.25800	1.6
593.24133	7.6
594.24121	1.6
611.24957	100.0
612.25256	15.8
618.24048	2.1
620.22327	1.6
626.24908	2.1
643.27332	7.5
653.25775	1.0
654.26886	1.2
737.28424	1.0
745.30841	1.5
773.30334	17.7
774.30542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.8
67.05517	37.8
69.07095	10.7
74.47087	4.3
79.05503	36.7
81.03410	5.3
81.07065	60.7
83.04993	5.3
83.08621	5.3
91.05492	25.0
93.07037	24.8
95.04980	6.3
95.08601	32.6
97.06553	4.9
98.23355	15.9
105.07043	25.6
107.08595	15.9
109.06530	13.0
109.10159	13.5
117.07047	8.5
119.08600	15.3
121.10154	10.9
123.08089	5.0
131.08595	7.8
133.10124	15.2
135.11772	8.5
147.11722	8.9
149.13258	9.0
175.56721	5.3
179.47292	4.6
187.14708	5.7
219.17412	29.7
275.20090	22.0
335.25836	68.3
349.23679	23.0
351.71133	4.8
609.45148	100.0
610.45172	13.5
653.66846	5.3
713.23840	5.8
807.51550	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	806.5756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04168	0.6
59.97456	0.7
61.38243	0.6
67.05511	1.2
71.69019	0.6
78.15533	0.7
79.05517	0.7
83.04994	0.6
100.73227	0.6
117.98708	0.7
232.11441	0.6
390.29871	2.0
492.29535	2.8
585.90802	0.9
598.84674	0.7
746.55750	1.6
771.13489	0.7
806.57562	100.0
807.57910	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.6
65.56354	1.1
67.05510	2.6
70.83974	1.0
71.14008	1.1
71.88583	1.1
79.05513	1.3
81.07093	1.8
86.67214	1.1
93.07054	1.4
95.08624	1.7
98.46413	1.2
138.30289	1.1
146.48840	1.2
185.04083	1.4
189.62833	1.1
201.01440	1.1
212.10959	1.1
221.37584	1.1
335.25833	1.7
367.25046	1.2
390.29700	2.3
403.72543	1.2
443.49771	1.3
492.29730	3.1
746.56250	1.9
806.57574	100.0
807.58081	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58492	68.4
71.29565	100.0
84.27239	69.4
86.46904	68.4
88.29021	79.3
88.64754	82.5
95.69153	71.2
113.35827	71.6
149.33434	77.2
231.02765	69.2
369.76843	73.6
373.63696	80.1
389.66544	77.8
670.00439	88.0
825.80542	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52541	0.3
67.05504	2.3
69.03378	1.6
69.03793	1.0
70.06560	1.1
72.08131	0.4
79.05459	1.2
79.05847	0.3
80.04967	0.8
81.03397	0.3
81.05770	0.4
81.07043	0.3
82.06542	0.8
82.19238	0.3
85.02863	1.0
86.09692	0.6
91.05496	1.3
91.05926	0.3
93.05747	0.5
93.07047	2.7
94.06570	5.1
95.07352	2.8
95.08571	0.3
96.08133	5.9
97.02890	0.3
97.06479	0.5
103.05436	0.8
106.06519	0.6
107.07284	0.5
108.04464	1.8
108.07426	0.3
108.08119	6.0
109.02876	0.3
109.08856	0.4
110.05999	0.9
110.09682	10.1
111.10009	0.3
118.06493	0.3
120.08108	6.9
121.06412	0.3
122.06029	6.9
122.09627	1.1
124.07548	0.9
132.04404	1.1
134.06047	1.3
136.06619	0.4
136.07578	6.0
137.08246	0.3
138.05426	0.3
138.09134	12.4
139.09468	0.4
146.05969	0.5
148.07562	2.6
150.09137	3.0
152.07086	2.0
160.02708	0.5
160.03946	6.3
162.05461	0.8
164.07082	3.0
166.08638	20.7
167.08954	0.4
168.10225	0.4
172.03889	0.8
172.07597	0.3
174.09169	0.7
178.04970	1.6
190.04964	0.8
192.06491	0.8
194.08047	0.3
195.09209	0.3
196.07710	0.3
197.10619	0.8
199.08571	0.6
199.12175	0.4
201.10310	0.3
204.06502	0.8
209.10811	0.6
210.11415	0.6
211.08696	1.6
211.12355	1.7
212.09409	0.8
212.12842	0.4
213.06624	0.4
213.10243	1.7
215.08214	0.4
220.09850	0.3
221.10661	0.5
222.11409	0.9
223.08633	3.0
223.12151	1.3
224.09244	0.7
224.13139	0.9
225.10213	10.6
225.13806	0.9
226.10965	5.3
227.11751	3.6
229.13283	0.6
235.08514	1.7
235.12331	1.0
236.09409	1.5
236.12943	0.4
237.10237	4.5
237.13855	2.0
238.10951	3.5
239.08104	5.1
239.11758	10.3
239.15433	0.5
240.08636	0.4
240.12473	3.7
241.09698	0.9
241.13240	0.9
243.14742	0.3
247.12286	0.5
248.09238	1.8
248.12979	0.3
249.10208	4.0
249.13951	0.3
250.10931	6.3
251.08136	3.7
251.11765	13.9
252.08757	1.3
252.12560	3.2
253.09709	3.5
253.13336	5.4
254.10484	8.5
254.13303	0.3
255.11143	1.2
255.14867	0.9
257.12854	0.5
261.10199	0.4
262.10904	0.4
263.11798	10.5
264.09094	0.6
264.12439	2.8
265.09763	3.0
265.13339	15.6
266.10556	2.2
266.13806	2.1
267.11267	4.9
267.14832	2.1
268.11972	0.7
269.08923	0.4
269.12799	0.9
271.10785	1.3
271.13730	0.3
275.11691	0.6
276.10010	0.4
277.09851	0.6
277.13217	0.6
278.10379	2.0
279.11285	5.6
280.11832	0.9
281.10492	0.3
281.12842	8.9
282.10071	0.7
282.13458	1.4
283.10757	4.6
283.14352	1.6
284.11447	1.4
285.12329	9.0
286.13068	2.4
287.13754	0.7
291.11313	2.4
292.11987	0.4
293.12814	5.3
294.10071	0.6
294.13525	0.4
295.10712	1.2
295.14270	0.6
296.11560	4.1
297.12280	5.7
298.12991	1.5
299.13895	9.9
300.14307	0.6
307.10706	0.6
309.12314	24.5
310.12845	3.2
311.13864	21.8
312.14310	1.6
313.11676	0.8
319.10782	0.9
321.12253	1.1
323.13837	0.3
324.10941	0.4
325.11819	2.4
325.15329	0.4
326.12573	0.9
327.13379	50.8
328.13745	4.2
329.15204	0.4
337.11832	5.2
338.12479	1.7
339.13376	5.7
340.13742	0.5
341.14948	8.2
342.15543	0.7
344.13855	0.6
351.13248	0.4
353.15024	0.9
356.13965	0.7
357.14453	3.1
358.15369	2.0
359.15979	14.6
360.16428	1.1
369.14438	37.0
370.14984	5.9
371.15997	33.5
372.16486	3.1
387.15942	0.3
402.18054	0.4
414.18143	0.4
416.19604	1.2
418.17297	0.4
420.19205	0.6
430.17566	0.9
432.13596	0.4
432.19214	5.5
435.15689	0.3
442.17804	0.6
446.20648	0.6
448.18619	7.6
449.18799	0.8
451.21008	0.3
453.16238	0.3
460.18668	5.6
461.19098	0.3
462.20248	1.0
474.20285	1.7
480.21292	55.1
481.21603	5.9
490.19937	0.4
492.21274	100.0
493.21588	12.1
504.21524	0.4
506.22769	1.7
522.22333	0.7
523.22992	1.7
524.23859	3.3
525.23962	0.7
592.22284	0.5
595.25513	1.0
613.26471	3.0
627.28198	4.9
628.28198	1.1
636.25037	0.7
645.29102	9.1
646.29346	1.3
654.26617	0.4
667.27191	1.0
668.28271	0.9
739.29761	0.3
775.31305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.3
60.04529	0.2
69.03439	0.2
69.07066	0.4
70.06596	2.2
71.06895	0.1
71.29414	0.2
72.08165	0.6
79.05492	0.3
81.03424	0.3
83.04977	0.1
83.21631	0.1
84.04510	0.3
84.08151	0.9
85.02909	0.7
86.09706	100.0
87.09461	0.2
87.10027	2.0
87.10515	0.2
91.05487	0.2
97.02901	0.3
99.04474	0.3
102.05557	0.1
103.03960	0.7
105.06975	0.1
107.04923	0.2
107.08606	0.1
109.02924	0.2
109.06509	0.2
110.07173	0.5
111.04451	0.3
112.08707	0.1
117.07059	0.1
119.04958	0.1
119.08609	0.2
120.08089	0.7
121.06568	0.1
127.03925	1.1
129.05489	0.4
129.10246	0.7
131.35764	0.1
132.09195	0.2
132.10202	4.0
133.10175	0.2
135.08063	0.3
136.07578	0.3
136.35173	0.1
137.26147	0.1
141.10393	0.1
142.07794	0.1
145.04976	0.6
149.09615	1.0
155.08131	0.1
156.07693	0.1
157.10133	0.1
159.11365	0.2
161.09570	0.6
163.06020	0.6
165.09152	0.4
175.11176	0.4
177.09094	0.1
179.10657	0.3
190.64281	0.1
199.18045	1.6
203.10622	0.9
221.11774	0.6
227.17538	0.5
239.12769	3.1
240.13135	0.3
245.18597	54.1
246.18947	2.6
307.10236	0.2
332.11832	0.1
807.43439	0.1
808.37598	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	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.3
57.07074	3.6
59.04970	1.6
60.51306	1.4
61.02927	2.7
65.03940	5.5
67.05508	81.1
69.02831	10.2
69.03422	4.5
69.07074	26.1
71.04984	3.3
73.02888	1.7
77.44966	1.2
79.05494	59.8
79.60524	1.2
80.05848	1.3
81.03436	3.2
81.07059	78.8
81.95258	1.2
83.04984	5.7
83.08613	15.6
85.02893	3.9
85.06549	3.8
87.72620	1.3
91.05483	39.3
93.07043	69.9
95.04961	5.9
95.08607	60.1
97.02882	4.5
97.06527	10.1
97.10179	4.6
99.08083	2.2
105.04490	2.2
105.07035	34.3
107.04981	2.3
107.08595	39.8
109.06536	6.2
109.10167	26.4
111.08077	4.5
117.07043	11.9
119.08582	26.7
120.08911	1.4
121.10141	28.8
123.08048	4.9
123.11700	9.2
125.09625	4.4
128.06239	2.2
129.07005	3.8
130.07796	1.7
131.08565	19.2
133.10127	24.8
134.10785	1.4
135.08067	2.0
135.11697	19.1
136.12099	1.7
139.11177	1.7
143.08557	5.4
145.10136	13.7
147.11700	20.3
149.09656	2.0
149.13245	12.8
157.10175	4.2
159.11685	11.8
161.13264	11.3
163.11119	2.4
163.14784	4.1
165.12724	2.8
171.11703	6.0
173.13237	8.2
175.14856	5.9
179.14354	2.3
185.13289	4.8
187.14783	6.4
189.11246	1.8
189.12775	2.9
199.14871	2.7
202.16570	1.4
229.14281	1.8
231.20869	1.7
241.19615	6.4
243.21091	2.0
259.20557	18.5
260.20981	1.5
261.22192	8.7
275.20297	2.0
277.21646	21.3
333.24243	10.6
335.25809	100.0
336.26187	8.2
337.27283	1.7
351.25296	34.1
352.25659	2.6
489.35544	3.2
529.38678	1.6
546.52991	1.3
593.45740	1.7
611.46643	35.0
612.46997	7.1
808.52936	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	809.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.3
60.04529	4.8
61.01163	0.7
67.05503	0.5
69.03426	1.2
69.07075	2.7
70.02946	0.4
70.06595	10.0
71.04985	0.6
71.06931	0.3
71.29723	0.3
72.08148	1.4
79.05465	0.6
81.03426	0.9
81.07076	0.3
83.06111	1.1
84.04041	0.5
84.04513	7.3
84.08155	4.5
85.02912	5.9
85.08517	0.2
85.40293	0.2
86.09708	100.0
87.10026	2.1
88.03985	0.4
91.05487	2.4
93.07050	1.7
95.04961	0.9
95.08611	0.7
96.04489	0.4
97.02889	1.7
97.06519	0.5
98.06047	0.6
99.04472	2.8
101.07154	2.4
102.05567	1.8
103.03947	7.4
103.05460	3.3
105.06544	3.5
105.76444	0.2
107.04978	0.7
107.08598	1.6
109.02863	1.4
109.06503	0.5
109.10145	1.4
110.07156	0.9
113.07088	0.4
116.06163	0.2
118.06898	5.2
119.04952	1.2
119.08597	2.8
120.08109	73.7
121.06535	0.5
121.08448	1.9
123.08060	3.0
126.05527	0.7
127.03916	8.2
127.08667	0.3
129.06631	0.6
129.10252	3.5
130.05051	0.4
130.06496	0.6
131.04959	0.4
131.08554	0.5
132.08113	0.3
132.10196	2.8
133.06461	0.3
133.10159	0.7
135.06819	0.7
135.08080	0.8
136.07579	14.6
137.07915	0.7
137.09627	3.6
140.08182	0.6
141.06561	0.5
143.11816	0.9
145.03862	0.5
145.04962	7.0
147.07993	0.6
147.11697	1.9
149.05991	0.4
153.06641	0.3
156.09306	0.3
159.09167	0.6
159.11668	1.6
161.13268	1.8
163.06029	8.7
163.08955	0.7
164.03487	0.5
166.08649	9.3
166.10054	0.6
167.08980	0.3
168.07796	0.6
169.06105	0.7
171.11507	0.4
173.12891	0.5
177.12793	0.9
181.06049	1.6
183.11252	0.6
185.12801	0.4
186.08772	0.6
187.05981	0.5
188.10413	0.3
189.12741	1.3
198.08850	0.6
199.07130	0.7
199.10782	0.5
200.14061	0.3
201.12334	0.6
202.08652	2.7
205.07079	0.5
207.13811	13.6
208.14120	0.5
216.09789	5.2
220.09747	1.7
225.14874	2.2
233.16476	1.2
238.08177	0.4
246.12762	0.4
247.10817	3.4
249.16035	0.4
256.09265	0.6
265.11868	7.0
266.12012	0.3
271.08047	1.5
273.11987	0.7
274.12250	1.6
275.10306	1.0
279.17044	46.0
280.17404	3.0
289.09210	1.5
293.11316	3.6
299.17142	1.5
300.15536	0.8
307.10233	4.1
311.17120	0.5
317.18216	1.7
329.18167	0.5
340.15021	0.3
351.16693	0.5
359.08789	0.3
360.18985	0.6
366.92245	0.3
369.17636	0.3
373.19107	1.6
386.20367	0.5
387.18591	1.8
388.18735	1.2
404.21460	2.2
406.19727	1.2
457.20593	0.6
475.21796	0.6
493.22714	0.6
517.29626	0.4
575.28473	0.3
621.28412	0.7
788.56665	0.3
809.40070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.52404	1.1
61.02919	6.2
64.51841	1.3
67.05506	6.9
69.03437	5.8
69.07062	3.3
73.02926	4.6
77.30913	1.1
79.05494	5.0
81.03420	1.5
81.07060	7.1
83.08636	1.7
85.02918	5.2
91.03960	3.9
91.05499	4.2
93.07063	5.5
95.08617	5.0
97.02866	5.5
98.22987	7.3
101.02389	2.4
104.33098	1.2
105.07047	2.3
107.08630	2.9
109.10136	1.4
117.07029	1.8
119.08598	2.8
119.56909	1.4
121.10137	1.8
121.68891	1.1
127.03961	1.5
131.08551	1.9
133.10211	1.6
145.10165	1.3
148.02708	1.1
243.08287	2.0
253.15700	1.3
305.67545	1.1
315.19449	4.3
490.20636	1.7
519.29498	10.1
533.27466	5.1
811.49603	100.0
812.49896	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	812.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	0.5
69.07082	0.7
69.19302	2.6
70.06591	46.0
71.06931	0.9
72.08132	0.5
73.02901	0.9
82.06586	0.4
84.04510	0.5
84.08141	70.0
85.08466	1.2
86.09704	51.8
87.05582	0.8
87.10028	1.0
88.04005	1.6
96.08128	0.5
98.02409	0.8
98.23428	0.4
100.03964	1.0
101.10786	1.3
110.07207	0.4
111.09216	1.3
113.07117	0.4
113.10763	0.4
116.03535	0.4
120.08097	1.1
125.07113	0.4
127.08678	0.6
129.10236	100.0
130.10654	1.8
133.06076	4.4
136.07629	0.9
138.09116	1.8
139.08640	0.5
141.10226	4.1
142.08632	0.6
152.03424	0.4
152.14262	0.4
153.10176	0.5
156.10179	3.0
163.03947	1.3
165.13843	0.7
166.08664	1.2
181.13309	0.6
183.11346	2.0
183.14917	15.2
184.09641	0.9
184.15350	0.6
187.10846	0.4
191.11880	0.4
197.16510	0.8
199.18156	0.4
201.12340	32.5
202.12566	0.4
211.14400	5.8
213.08670	0.4
225.12439	0.4
226.15482	0.6
229.11819	19.1
230.12152	0.6
237.15797	0.4
242.18622	12.5
242.20966	0.6
243.18941	0.5
246.14566	1.7
252.17079	0.7
254.14961	0.7
285.85596	0.4
297.18240	1.5
304.20181	0.7
314.20642	0.5
321.22897	0.9
326.17194	1.1
339.23788	1.8
342.20209	14.9
342.24356	0.8
343.19775	11.6
452.28549	0.4
454.26965	0.5
466.99149	0.4
470.29599	2.7
471.29312	6.0
524.17023	0.4
567.34875	2.0
584.37720	1.1
597.66132	0.4
680.43195	2.3
697.45813	1.0
777.44537	0.4
795.45874	3.5
796.46240	0.7
812.48737	25.9
813.48767	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	813.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67849	0.3
68.05022	0.6
70.06595	100.0
71.06926	1.3
80.85495	0.3
82.06577	0.5
84.08138	0.4
86.06084	0.4
86.09705	0.4
91.05482	0.5
93.07054	1.2
95.06099	0.8
97.02917	0.4
97.07660	0.9
98.06053	2.7
99.09233	0.9
103.05476	2.7
110.07193	0.5
112.08733	8.4
112.09471	0.5
113.07138	5.1
114.05556	0.4
115.08693	8.1
116.07106	0.5
116.09056	0.4
120.08109	57.3
121.08472	1.7
125.07127	0.8
126.05524	2.5
141.10338	0.4
143.08118	0.4
159.11359	0.3
166.08647	0.5
167.11809	1.6
180.20880	0.3
185.10475	1.7
192.11377	1.2
193.14494	0.4
194.12868	1.5
195.11325	4.3
196.43024	0.3
196.61778	0.3
203.10269	15.7
204.10667	0.4
209.14017	1.1
212.13931	3.8
213.12454	1.1
217.13397	0.5
220.10863	0.4
223.49910	0.3
227.90027	0.3
237.13477	8.6
237.15724	0.6
242.12987	0.6
254.16264	2.6
261.12469	0.8
262.15524	0.3
265.12897	0.4
282.14651	0.4
300.15543	8.5
359.20609	0.3
384.20163	0.8
439.23114	0.6
486.28375	1.1
514.27716	4.5
536.28436	0.8
553.31342	0.6
606.73193	0.4
654.79138	0.4
795.41772	0.8
813.42499	53.5
814.42737	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	813.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05297	6.4
70.56086	7.2
98.22649	20.7
111.44796	6.3
128.95602	7.6
188.74002	6.6
379.50772	8.3
813.35089	8.0
813.49091	100.0
814.49365	13.0
833.30731	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	813.4901
Annotation	Glabrin C
Peak:m/z	Relative Intensity
70.96372	1.7
80.60118	1.0
121.85994	1.1
303.03696	1.0
458.40204	1.1
535.26465	2.6
813.49060	100.0
814.49359	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
61.02925	8.6
67.05166	1.3
67.05500	7.0
69.03423	4.9
69.07065	1.5
70.83447	0.9
71.05014	1.4
71.22021	1.7
73.02914	7.2
79.05485	7.3
81.03419	3.0
81.07050	8.7
83.08636	1.0
85.02909	8.6
86.09712	1.5
91.03960	5.1
91.05485	6.5
93.07055	7.9
95.08611	7.5
97.02888	9.5
97.06532	1.0
99.04469	1.3
101.02398	3.3
105.07020	3.7
107.08601	4.0
109.02903	1.6
109.10150	1.8
119.08588	2.9
121.10159	3.3
127.03939	3.4
130.01166	1.0
131.08556	1.8
133.10175	1.8
135.11700	2.0
147.11687	1.6
184.07321	2.3
185.04257	1.1
243.08525	4.3
293.10251	1.0
311.69052	1.0
516.07385	1.1
519.29327	11.7
535.28577	8.0
813.51080	100.0
814.51373	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	815.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56065	1.8
71.20995	2.1
114.80927	1.8
183.62093	1.7
202.38640	1.6
425.15747	1.7
471.44275	1.7
815.50647	100.0
816.50903	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	817.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60401	0.4
86.09734	0.5
94.90121	0.4
97.06583	0.7
98.02174	4.6
118.56188	0.4
131.08682	0.5
154.18480	0.5
180.70279	0.4
204.13716	0.4
211.10542	1.0
221.08974	8.2
229.02573	0.5
232.13168	0.5
237.08513	0.5
265.11621	0.9
267.74094	0.5
279.16891	1.0
289.15329	0.6
298.68365	0.4
306.17920	0.6
307.16281	26.3
308.16608	1.5
325.17453	0.9
334.17365	14.5
335.17844	0.8
350.16925	0.8
392.25400	0.9
420.24707	9.3
420.30185	0.6
421.25015	0.5
438.25870	1.2
448.24280	1.5
495.27945	2.0
515.32068	4.2
548.71332	0.4
561.32776	1.3
572.34369	0.6
601.39612	1.2
618.34692	10.2
619.35120	1.1
634.34601	0.8
641.82831	0.4
658.40845	0.5
685.44519	0.5
704.41626	2.1
731.43317	2.4
731.55011	0.5
789.50854	0.5
817.50391	100.0
818.50775	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	818.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	1.7
57.03653	0.5
58.06602	6.8
60.36959	0.5
67.05508	5.0
69.03482	0.4
69.03825	4.0
69.07038	2.0
69.86755	0.5
70.06592	9.6
71.07339	1.2
71.95282	0.4
72.08153	5.2
73.06518	0.4
74.50136	0.4
79.05499	3.2
81.07058	6.8
82.06548	1.4
83.08591	1.4
84.04476	0.8
84.08142	28.2
85.02872	1.2
85.06521	0.6
86.09713	2.3
91.04063	0.6
91.05475	3.1
93.07042	3.4
95.08615	6.4
96.08130	4.9
97.06506	1.3
97.08900	0.9
97.10178	0.5
98.09657	2.0
99.08086	0.7
102.05466	0.6
105.06982	1.8
107.08543	1.2
108.08079	1.4
109.10130	1.3
110.09007	0.7
110.09682	9.3
110.76770	0.5
111.10497	3.5
112.11241	3.8
114.09096	0.6
118.04219	0.5
119.04913	1.1
119.08589	0.9
120.08078	1.0
121.02863	6.2
121.10117	1.1
123.11666	0.5
124.11235	3.3
127.03886	1.0
128.09772	0.7
128.10713	10.3
129.10205	0.8
130.06490	0.5
132.08102	0.8
133.10094	1.0
135.23579	0.4
136.02367	0.4
138.12837	0.9
144.08060	0.7
145.02800	1.1
145.04929	0.5
145.10153	0.9
147.04364	0.7
152.14310	0.9
159.09158	1.6
163.03856	0.7
163.06033	0.4
166.15924	1.3
168.13786	0.4
177.05449	0.5
183.15022	0.5
189.01801	1.3
191.03392	0.6
194.19046	0.7
203.03371	1.1
205.04932	0.5
207.02864	1.3
208.20668	0.7
215.03374	0.7
217.04901	0.6
219.02873	1.3
221.04463	0.4
229.04752	0.5
233.04440	0.7
234.18512	0.6
236.20084	28.9
237.20439	1.0
243.02930	0.8
245.04410	0.8
252.19606	1.0
254.21149	62.4
255.21492	2.5
270.20715	1.2
272.22205	24.0
273.22409	1.4
279.06241	0.7
281.08060	0.8
283.06055	1.6
283.82291	0.5
284.06702	0.7
291.06476	0.8
293.08243	0.7
294.05127	3.3
295.05991	12.5
296.06631	1.5
296.22256	1.5
297.07565	1.8
301.15265	0.6
307.06018	10.6
307.09372	1.0
308.06708	3.4
309.07483	5.4
313.07114	1.0
318.18158	0.7
319.05975	1.4
320.06680	1.6
321.07541	6.8
323.05484	0.8
323.09103	1.2
325.07022	8.8
327.08597	1.1
333.07651	2.7
334.08270	0.9
335.09207	2.5
337.07095	8.4
338.07532	0.9
339.08627	2.5
344.24384	0.7
345.07565	2.0
347.09290	0.8
349.07050	4.5
351.08716	2.0
355.08356	0.6
359.08939	0.6
361.07028	4.7
363.08594	3.1
367.07993	2.8
373.06827	1.0
375.08661	1.2
377.05975	0.6
379.08023	5.5
380.08673	0.6
387.08624	0.8
391.08096	7.2
393.10114	0.8
398.25333	1.8
403.08060	1.1
405.09616	0.9
409.09061	2.7
415.08289	0.5
416.26535	1.9
421.09213	1.5
427.10089	0.6
433.09222	1.7
445.09326	0.8
457.09317	0.8
475.10443	0.6
560.26599	0.6
584.11206	0.6
590.27789	2.4
592.28900	0.6
608.29236	1.0
614.27655	1.0
620.28601	2.4
626.27618	0.7
644.28760	1.9
645.30109	0.6
662.29309	2.6
680.30518	1.7
692.31354	0.8
710.31512	1.0
728.32733	6.3
729.33044	0.9
758.34052	1.3
764.32056	0.8
782.33618	2.8
800.34802	17.4
801.34509	2.7
818.35822	100.0
819.36176	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	28.8
69.07065	4.0
69.90612	4.4
69.91038	2.0
71.08634	32.1
73.02898	1.7
73.06562	10.0
83.08617	3.7
85.10183	19.4
86.90903	1.3
87.04470	12.9
89.06033	100.0
97.10175	6.2
99.11769	1.9
106.19279	1.4
106.52592	1.2
107.07083	2.7
111.11704	2.8
113.76907	1.2
117.09125	8.2
125.13329	1.4
130.08609	1.5
131.07033	3.6
133.08601	47.7
155.88969	1.3
161.11790	2.3
175.09631	2.9
177.11229	18.0
201.12654	1.3
216.47148	1.4
221.13895	3.5
239.35880	1.2
255.26874	1.5
265.77362	1.4
299.29471	3.1
343.31958	1.8
706.88177	1.9
801.57922	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	820.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.2
58.06596	5.9
58.47713	1.6
61.02903	2.0
62.08372	1.6
66.74163	1.6
67.05507	18.1
69.03429	12.8
69.07066	6.0
70.06603	11.2
71.05009	2.0
72.08159	45.7
73.02947	1.9
77.70054	1.4
79.05491	13.2
79.41384	1.8
81.03433	8.0
81.07072	14.2
83.08621	2.9
84.08152	6.3
85.02898	16.2
85.08932	3.0
86.09707	5.2
87.04537	2.1
91.05483	10.5
93.07035	13.1
94.06559	3.7
95.07331	3.1
95.08599	10.0
96.08137	5.5
97.02919	8.3
98.09684	10.8
99.04455	11.6
102.09171	2.4
103.03957	7.0
105.07048	5.6
107.08602	6.9
108.08107	8.7
109.02886	8.1
109.10147	3.5
110.09666	7.9
117.07072	2.0
119.08581	3.8
120.08092	6.8
121.10132	4.0
122.06027	3.4
122.09676	2.7
123.04424	2.5
127.03921	18.7
131.08582	1.9
131.55644	1.6
133.10184	2.5
136.07561	4.3
138.09192	8.7
144.62886	1.5
145.04982	4.5
147.11714	2.1
148.07596	3.3
152.07182	2.2
163.05954	2.2
166.08636	13.6
169.06166	1.6
172.03952	3.6
177.05458	1.9
189.68304	1.7
199.43451	1.7
204.06616	3.3
223.08713	2.7
225.10286	6.0
225.96228	1.8
226.10991	3.0
227.11771	3.4
237.10251	6.4
239.11801	7.0
249.10239	2.7
250.10867	1.7
251.08153	2.5
251.11867	9.7
253.09738	5.1
253.13412	3.7
254.10504	1.7
263.11850	2.3
265.09796	9.8
265.13385	4.8
266.14246	2.6
267.11279	7.3
277.09903	2.2
279.11292	5.9
281.12781	2.5
283.10986	3.8
285.12430	9.2
287.13907	1.8
293.12726	2.6
299.13831	5.3
307.10855	1.9
311.14063	3.5
313.15479	5.5
316.30023	22.3
325.15448	6.6
330.24374	4.6
334.31036	51.9
335.31213	4.4
339.13504	4.1
340.14566	2.3
341.14996	6.6
348.25433	8.7
352.32086	26.9
353.14923	4.0
371.15833	2.2
373.17688	5.1
385.17642	1.8
450.20038	1.9
504.21292	5.1
505.21994	5.4
506.22852	18.3
537.24585	19.7
538.25732	8.9
565.61920	2.0
627.27557	5.0
640.40088	5.5
658.41620	100.0
659.30670	3.0
659.41644	16.3
667.27118	8.5
699.29620	7.2
802.45984	3.5
820.46881	48.3
821.32343	2.2
821.47223	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	820.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.1
58.06609	5.7
61.02931	2.8
65.03940	1.1
67.05510	16.9
69.03429	12.1
69.03778	1.3
69.07070	3.3
70.06590	6.1
71.05005	2.4
71.30288	0.7
72.08159	32.4
73.02920	3.2
79.05494	10.3
81.03413	9.7
81.07063	10.6
81.94051	1.0
83.05002	1.1
83.08606	1.3
84.08150	4.5
85.02905	25.8
85.08942	4.0
86.09718	3.1
87.04476	2.2
91.05491	6.7
93.07053	9.5
95.04995	1.4
95.08604	6.5
96.08141	1.6
97.02885	12.7
98.09689	9.4
99.04462	11.6
102.09204	1.5
103.03940	9.7
105.07035	3.7
107.08600	4.6
109.02887	8.3
109.10179	3.0
110.09708	1.0
112.11277	1.3
119.08602	3.4
120.08160	1.2
121.10171	3.2
122.09697	0.9
127.03922	26.2
131.08559	1.2
133.10179	2.7
138.09175	1.3
145.04964	7.5
147.11678	1.0
159.11694	1.4
166.08693	2.2
183.56366	0.9
187.05968	1.6
204.06693	0.9
225.10193	1.0
225.13950	1.2
239.15620	1.1
240.12498	0.9
253.13419	2.4
254.14215	2.6
269.16541	2.0
279.11374	0.8
289.08948	0.9
292.65189	0.8
315.09540	0.9
316.29980	19.9
316.33405	1.4
317.30368	1.3
334.31055	46.8
335.31470	4.4
352.32114	41.2
353.32187	4.2
413.17407	0.8
583.25348	1.2
599.25360	1.4
627.24585	8.0
658.41644	8.1
659.27350	4.6
659.41956	1.9
758.46710	1.1
802.45819	6.7
807.13623	1.1
820.46844	100.0
821.47241	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	820.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	49.1
71.30154	62.4
85.21635	40.0
130.41919	46.0
149.53125	38.9
149.89302	39.8
164.08743	42.5
173.57076	39.9
193.06001	41.6
211.13170	45.0
319.22583	41.9
335.25674	100.0
820.56610	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	8.8
67.05508	33.9
79.05499	22.1
81.07080	34.4
84.86747	6.8
91.05478	13.8
93.07050	24.6
95.08621	22.2
98.22650	21.4
105.07053	9.8
105.77707	8.6
107.08601	14.6
109.10166	10.0
119.08540	6.5
121.10126	7.5
123.11706	7.8
123.54159	6.4
135.11703	11.3
146.29379	7.1
180.34146	6.8
228.94678	9.7
267.00760	7.3
335.25851	100.0
553.86835	7.4
595.47113	15.5
663.55023	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	821.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	0.7
61.02945	0.7
66.39905	0.6
67.05506	2.5
68.51273	0.6
69.03437	1.5
69.07062	0.9
69.55533	2.5
70.06606	2.0
72.08147	1.7
72.30555	0.6
79.05496	1.6
81.07047	1.1
84.08123	0.7
85.02898	1.3
85.24963	0.7
86.09691	0.9
91.05490	2.6
93.07074	3.8
94.06572	5.4
95.07345	2.3
95.08619	1.5
96.08134	6.1
97.06541	1.4
98.23325	1.1
103.05421	0.8
107.07331	1.1
108.04488	3.0
108.08112	9.4
110.06003	0.7
110.09679	10.0
120.08110	8.3
122.06050	7.4
122.09678	1.6
123.06777	0.8
124.07623	1.1
127.03925	1.2
132.04474	0.9
134.06015	0.8
136.07567	6.2
138.09134	15.6
139.09462	0.8
147.52420	0.7
148.07565	4.0
150.09142	2.8
157.10275	0.8
160.03952	8.9
161.07092	0.7
166.08638	26.4
167.09047	0.9
172.03995	1.7
177.05453	0.9
177.83276	0.7
180.10147	4.0
182.11742	2.0
183.09151	0.8
190.04973	1.4
192.06557	1.7
197.10725	0.8
199.08723	0.9
204.06589	2.1
210.11655	0.8
211.08688	2.2
211.12352	2.2
212.09398	1.6
212.13100	1.2
213.10201	4.4
220.09911	0.9
222.07764	0.8
222.11473	1.6
223.08600	4.3
223.12260	1.4
224.09392	1.5
225.10205	16.4
225.12267	1.0
226.10982	8.8
227.11798	5.0
228.12323	0.7
235.08665	1.6
235.12355	1.3
236.09453	1.6
237.10213	9.0
237.13853	1.5
238.10939	5.2
239.08209	5.2
239.11794	22.6
240.12534	6.3
241.09680	1.1
241.13364	1.2
248.09515	3.1
249.10229	4.9
250.11073	4.6
251.08150	4.6
251.11794	20.8
252.08879	1.4
252.12445	6.9
253.09737	9.3
253.13300	6.7
254.10498	8.0
255.11092	1.8
257.13016	0.8
257.17062	0.7
262.10953	1.2
263.11783	17.2
264.09131	1.0
264.12491	3.2
265.09787	9.2
265.13391	16.5
266.10486	5.0
266.14087	3.0
267.11227	6.0
269.12817	1.1
271.10800	2.1
275.11896	0.9
276.09973	0.7
277.09879	2.0
277.13449	1.1
278.10492	3.1
279.11285	10.7
280.11792	1.0
281.12817	10.8
283.10797	7.4
285.12338	9.9
286.13095	3.0
291.11374	3.6
292.12167	1.3
293.09723	1.4
293.12811	6.4
295.14352	1.8
296.11697	1.5
297.12350	3.9
297.15692	1.4
298.13086	4.8
299.13901	35.7
300.14334	3.0
307.10791	1.8
309.12347	5.0
310.13217	4.4
311.13895	11.5
312.14612	1.8
313.15454	32.9
314.15854	2.1
319.10724	1.4
321.12305	1.9
323.13904	22.2
324.14566	4.5
325.12119	1.3
325.15463	31.5
326.16016	2.3
327.13455	1.6
337.11853	1.2
339.13480	2.6
340.14096	2.3
341.14957	73.4
342.15323	5.6
351.13428	6.7
352.14063	4.6
353.14874	7.4
355.16476	1.1
357.14865	1.1
358.15274	1.7
369.14536	1.0
371.16101	3.0
372.17157	3.5
373.17639	12.0
374.17780	1.2
383.15979	29.1
384.16614	4.5
385.17584	33.9
386.18234	2.7
414.18188	1.2
432.19171	0.8
434.20819	0.9
446.20746	15.5
447.21167	1.5
462.20233	15.1
463.20471	1.8
464.21869	1.1
465.69467	0.8
474.20187	13.1
475.20273	1.0
494.22849	91.9
495.23105	9.8
504.21307	1.5
505.22260	2.3
506.22858	100.0
507.23282	10.6
523.22809	1.1
536.23932	1.5
537.24811	9.3
538.25256	7.4
539.25946	1.2
627.28046	7.1
641.29797	3.6
659.30780	9.5
667.27441	4.0
668.27972	1.1
699.30139	2.0
821.46252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	100.0
58.07412	1.8
69.03423	1.0
69.21097	3.4
80.00961	0.5
81.03423	4.1
81.07076	1.2
85.06544	26.5
86.09711	0.8
91.05462	0.5
93.07041	0.7
95.08610	0.6
97.02918	2.0
98.23470	1.0
99.04480	0.8
107.08703	0.6
109.02888	6.3
109.41807	0.5
127.03921	7.2
133.05521	0.5
149.90556	0.6
184.07423	1.5
211.09644	5.1
229.10759	1.4
271.11761	9.5
271.14520	0.7
289.13248	0.5
313.16452	17.5
314.17117	0.7
331.17511	0.6
333.47321	0.5
335.85715	0.5
373.18579	0.9
415.23199	1.2
596.38879	0.7
822.50043	2.0
823.50507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10055	1.2
61.02924	1.9
63.79622	1.1
65.03940	2.0
65.66678	1.2
67.05501	2.7
69.03413	5.2
70.06590	22.3
71.29996	1.6
72.08154	6.0
79.05497	4.9
80.05013	2.2
81.03407	3.3
81.07048	2.4
82.06564	3.6
83.12150	1.3
84.04513	2.5
84.08136	8.8
85.02905	8.1
85.24526	1.2
86.09709	8.1
91.05462	5.5
92.71999	1.2
93.05807	2.1
93.07065	6.9
93.54404	1.4
94.06562	13.6
95.07359	9.1
95.08608	2.1
96.08128	17.9
97.02900	3.5
103.05477	3.2
106.06546	2.8
107.07348	5.1
107.38029	1.3
108.04475	4.8
108.08123	21.6
109.02887	3.1
110.06049	13.0
110.07155	1.8
110.09684	27.3
118.06540	1.6
120.04463	4.0
120.08099	29.1
122.06034	10.7
122.09685	8.9
124.07595	5.6
127.03925	3.7
127.08678	1.5
128.10678	2.1
129.10226	3.6
130.06505	1.3
132.04498	1.6
132.08041	1.5
134.06006	7.7
136.07571	17.3
138.05482	7.9
138.09137	46.9
142.56645	1.4
144.04440	4.0
144.08063	1.9
146.06003	4.3
146.09666	1.6
147.04420	2.1
148.07594	10.7
150.09155	10.6
152.07060	8.9
156.08104	1.5
160.03947	12.0
160.07657	2.0
162.05489	3.6
163.04007	2.5
163.05843	1.1
164.07056	9.8
165.07402	1.2
166.08636	56.6
168.10117	1.7
172.03926	17.2
174.05519	3.6
174.09067	2.9
176.07085	1.7
177.05508	2.3
178.04961	4.2
178.92389	1.2
180.10284	1.3
185.10660	1.5
190.05022	8.2
192.06630	1.4
192.10208	2.1
197.10622	3.1
198.09192	1.6
199.08621	5.0
199.12328	2.2
204.06544	31.6
207.08963	1.7
209.10751	3.0
210.11357	1.9
211.08682	6.3
211.12341	3.9
212.09344	4.0
212.13086	1.2
213.06813	1.4
213.10255	5.2
215.11783	1.6
221.10867	2.4
222.11423	3.3
223.08675	6.9
223.12274	4.8
224.09401	3.2
224.12967	2.0
225.10216	23.7
226.10922	9.9
227.08249	1.6
227.11780	17.9
228.12358	1.7
235.08684	5.1
235.12265	3.6
236.09334	2.1
236.12883	1.5
237.10168	11.3
237.13889	3.3
238.10878	9.0
239.08134	12.2
239.11781	25.1
240.12462	7.2
241.09709	3.6
241.13364	4.0
243.11249	3.3
243.14975	1.9
245.12837	3.4
248.09521	5.7
249.10182	16.6
249.12500	1.7
250.10988	14.2
251.08211	7.6
251.11760	28.1
252.08801	3.1
252.12540	6.8
253.09731	12.4
253.13365	15.8
254.10498	15.4
255.11247	5.2
263.08041	1.8
263.08673	2.2
263.11795	32.0
264.08978	4.5
264.12491	12.3
265.09760	13.7
265.13354	30.4
265.16135	2.2
266.10474	6.7
266.13895	4.7
267.11279	14.9
267.14691	3.4
268.11926	1.7
269.12839	5.2
271.10800	7.6
273.12439	5.0
275.11832	1.6
277.09726	5.7
278.10358	7.5
279.11230	18.5
280.11975	3.1
281.09506	2.4
281.12820	25.8
282.10159	2.2
282.13394	3.5
283.10800	9.9
283.14352	6.0
284.11438	4.6
285.12299	18.0
286.13046	4.0
287.13803	9.7
289.11838	3.4
291.11292	11.5
292.11896	4.5
293.09387	3.1
293.12814	14.0
294.10281	2.1
294.13605	4.4
295.10748	7.0
295.14426	4.4
296.11526	7.4
297.12326	16.7
298.13086	3.7
299.13962	18.0
300.14459	3.3
301.12137	1.9
303.13483	2.5
304.14603	1.8
305.14877	18.9
307.10782	3.0
309.12329	91.9
310.12790	9.3
311.13904	31.2
312.14523	2.5
313.11734	4.5
315.13440	1.5
319.10739	7.4
321.12399	9.6
323.10190	5.6
323.13803	2.0
324.10876	2.2
325.11771	13.3
326.12527	3.5
327.13373	100.0
328.13974	9.0
330.12268	1.9
331.13409	1.8
337.11777	27.5
338.12451	5.2
339.09698	2.2
339.13422	17.5
340.13922	2.4
341.11282	3.6
341.15002	7.0
342.12289	2.9
342.16052	2.1
343.12915	2.7
343.16571	1.6
344.13712	1.5
352.14032	1.5
355.12924	2.8
356.13681	4.3
357.14450	16.2
358.15356	6.4
359.16110	9.9
360.17023	1.8
369.14462	66.4
370.15338	7.3
371.16028	40.1
372.16705	4.9
373.14056	5.2
374.14877	3.2
375.15759	2.4
376.16483	2.0
379.69916	1.2
384.16910	1.9
385.14221	2.6
386.14832	4.9
398.15005	2.3
399.15860	3.1
400.16483	2.4
402.14325	2.5
404.15961	3.4
414.18048	3.1
416.15765	7.4
417.16690	10.8
418.17352	3.5
420.19272	11.2
421.19299	1.6
422.16791	2.5
428.15900	3.1
430.17624	3.6
432.19043	9.3
434.16937	7.6
440.15656	3.2
446.16904	16.7
447.17194	2.1
448.18463	4.6
458.17065	11.5
459.17316	2.0
460.18509	1.6
464.18127	40.2
465.18533	4.0
474.20291	5.9
476.18134	48.2
477.18314	4.7
478.19534	6.1
490.19669	16.2
491.20117	2.3
492.21313	32.7
493.21231	2.7
494.23251	1.7
496.20737	56.3
497.20993	5.5
506.18594	6.2
507.18610	1.9
508.20782	75.4
509.21124	6.9
522.22455	6.6
524.23999	2.0
536.20465	12.4
538.21765	6.5
539.22076	1.7
583.25085	3.9
585.26483	2.8
611.24841	14.0
612.24438	1.7
615.27368	2.0
620.23285	1.5
629.25983	58.3
630.26544	6.9
643.27344	7.4
656.27570	2.6
661.28442	15.9
684.27191	3.0
791.31506	14.6
792.31342	2.7
823.36530	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	823.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44728	1.2
67.05495	2.5
69.03432	4.0
69.43814	8.6
70.06590	13.1
72.08148	3.1
79.05502	4.0
80.05011	1.9
81.03403	1.9
81.07027	1.8
82.06585	4.9
84.04520	1.5
84.08148	2.6
85.02914	5.3
86.09699	8.0
91.05487	4.6
93.07033	8.0
94.06564	13.2
95.07348	7.5
96.04526	1.5
96.08125	16.0
97.02882	2.7
98.23306	3.0
103.05495	2.1
106.06544	1.4
107.07372	2.1
107.49774	1.3
108.04494	3.9
108.08112	21.4
109.02863	2.2
110.06036	12.6
110.07191	1.5
110.09677	30.9
120.08099	24.4
121.06538	1.5
122.06031	8.1
122.09681	6.7
124.07601	5.1
126.05497	1.6
127.86518	1.3
129.10258	1.9
132.04530	2.1
134.05992	5.1
136.07565	16.8
138.05508	8.5
138.09129	54.1
139.09508	1.7
146.05959	1.9
148.07556	6.8
150.09135	8.1
152.07030	6.5
160.03947	12.4
160.07504	1.3
162.05518	1.9
164.07109	7.6
166.08635	61.7
167.09023	1.6
172.03996	2.8
174.09116	2.3
178.05051	4.0
190.05049	3.1
204.06610	4.8
211.08733	5.6
211.12306	3.7
212.09392	2.5
213.10246	6.0
215.11847	1.2
221.10770	2.6
222.11378	3.1
223.08702	5.3
223.12424	2.6
224.09232	1.7
225.06828	1.9
225.10204	23.9
225.13806	1.9
226.11023	8.7
227.08215	1.9
227.11841	9.8
235.08713	5.3
235.12321	3.2
236.09442	3.3
236.13100	1.7
237.10191	17.2
237.13852	4.3
238.10915	8.8
239.08197	8.4
239.11797	26.8
240.12596	6.3
241.09708	2.6
241.13303	2.7
243.14893	1.6
247.12479	1.4
248.09456	5.7
249.10213	15.6
250.11012	15.6
251.08157	6.3
251.11790	30.0
252.08910	1.5
252.12543	8.7
253.09726	12.3
253.13371	15.2
254.10472	14.1
255.11218	4.1
261.10263	2.8
262.10941	2.0
263.08804	2.4
263.11761	38.8
264.09210	2.5
264.12488	10.5
265.09799	11.6
265.13382	32.9
266.10565	7.0
266.14075	4.4
267.11304	17.5
267.14816	5.2
268.11923	3.4
269.12842	3.2
271.10742	5.0
275.11871	1.8
277.09732	5.4
278.10492	7.3
279.11218	22.1
280.11917	3.0
281.12805	19.3
282.10181	2.7
282.13522	4.5
283.10791	10.3
283.14413	8.1
284.11478	3.2
285.12323	22.3
286.12985	3.0
291.11191	16.3
292.11899	2.7
293.12796	15.7
294.13156	2.1
295.10739	5.2
295.14417	5.6
296.11600	6.4
297.12299	18.1
298.13022	6.5
299.13898	20.1
300.14453	3.3
307.10767	5.8
309.12302	76.1
310.12704	6.4
311.10437	1.5
311.13831	39.8
312.14240	2.9
313.11798	4.1
313.15256	2.4
315.13571	2.4
319.10760	7.4
320.11496	2.3
321.12259	7.0
323.10168	2.8
323.13812	2.4
325.11765	11.9
326.12473	3.2
327.13358	94.7
328.13812	9.1
337.11847	36.5
338.12228	6.5
339.13467	18.0
340.14011	2.7
341.14902	14.9
342.12204	3.4
342.15936	1.7
343.12915	5.8
353.15131	1.8
355.12531	6.5
355.16599	3.2
356.13547	3.4
357.14459	18.6
358.15128	4.9
359.15942	16.2
360.16586	2.5
367.13022	4.6
369.14435	78.4
370.14984	10.0
371.11444	2.9
371.16013	52.6
372.16470	7.4
373.13696	2.7
373.70935	1.5
403.18707	1.5
404.15585	1.6
414.18079	2.0
418.17404	5.3
420.19128	5.1
428.15771	2.3
430.17560	3.1
432.19180	5.3
444.19202	2.0
446.16660	9.7
448.18646	4.0
458.17230	3.1
460.18640	5.7
464.17984	25.0
465.17993	3.0
472.18307	2.0
474.20181	6.2
476.18039	19.8
477.18234	1.9
478.19867	10.6
480.21457	2.9
490.19556	24.2
491.20172	6.2
492.21326	37.1
493.21695	5.0
496.20773	73.8
497.20901	10.2
506.23087	1.7
508.20767	100.0
509.21207	11.2
520.20837	8.5
521.21185	2.9
522.22290	43.3
523.22943	13.3
524.24066	10.2
536.20197	8.0
583.25140	4.1
585.26080	1.8
611.25201	10.5
612.24927	1.8
615.27820	4.0
629.26025	21.5
630.26172	3.9
643.27283	11.4
652.24396	2.0
653.25964	7.6
656.28436	1.7
661.28326	19.6
662.28601	2.8
684.27386	7.8
685.27533	4.4
691.99121	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	823.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84573	1.5
67.05503	4.9
69.03420	4.9
69.35321	10.8
70.06590	22.5
72.08151	4.7
72.10064	1.5
79.05502	5.6
80.05005	1.9
81.03427	4.1
81.07062	2.2
82.06578	4.2
84.04490	3.2
84.08141	9.0
85.02882	7.5
86.09691	8.1
91.05470	7.8
93.07049	8.8
94.06564	12.4
95.04980	1.9
95.07363	8.8
96.08131	15.3
97.02883	3.3
97.06541	2.0
99.04485	2.3
103.05437	2.2
105.27948	1.6
106.06563	2.2
107.07323	2.5
108.04493	5.3
108.08105	22.7
109.02852	2.4
110.06062	13.2
110.09675	29.7
118.06561	2.2
119.08623	1.6
120.04446	2.8
120.08097	28.0
121.08418	1.8
122.06030	7.2
122.09655	12.4
124.07590	4.9
128.10707	2.2
129.10240	6.3
130.06610	1.7
130.71292	1.7
132.08017	2.1
134.06015	6.3
136.07582	16.7
138.05463	7.6
138.09131	42.8
140.06961	1.5
144.04501	1.8
144.08089	1.7
145.02855	2.3
146.06033	5.0
148.07587	9.6
150.09137	7.7
152.07033	8.6
160.03938	12.7
160.07498	2.2
162.05537	3.0
164.07089	13.6
165.32307	1.6
166.08627	48.4
172.03941	13.4
174.05502	1.6
174.09064	2.1
176.07108	2.5
177.05612	1.9
178.04962	3.2
182.08356	1.6
189.16351	1.5
190.05028	6.6
192.06660	2.3
192.10074	1.7
197.10773	2.0
199.08749	3.5
201.10146	1.7
204.06569	18.5
206.08299	1.9
207.06622	1.7
209.08153	1.9
209.10753	1.6
210.11467	2.4
211.08740	6.0
211.12286	5.4
212.09348	3.5
213.10266	5.8
220.09827	2.0
221.10619	2.0
222.11487	2.9
223.08603	7.4
223.12218	3.7
224.09406	3.2
225.10185	20.1
225.13754	3.9
226.10966	8.4
227.08334	3.2
227.11813	13.3
235.08633	5.5
235.12306	2.4
236.09547	1.7
237.10245	13.5
237.13901	3.7
238.10883	9.9
239.08096	9.8
239.11761	24.5
240.12448	7.7
241.09772	2.8
241.13312	2.3
243.11383	2.0
245.12823	2.9
247.08649	1.7
248.09514	6.1
249.10164	15.4
250.10918	14.4
251.08191	5.6
251.11797	30.7
252.08968	2.4
252.12482	7.4
253.09784	12.0
253.13345	18.2
254.10457	15.9
255.08292	1.6
255.11206	4.9
261.10022	1.7
262.10934	1.8
263.11789	33.5
264.09229	2.6
264.12561	12.8
265.09802	9.5
265.13367	29.2
266.10504	4.4
266.13931	5.2
267.11273	15.3
267.14127	2.6
268.12012	3.0
269.12839	5.8
271.10748	4.8
273.12424	3.6
275.11960	1.6
277.09677	7.2
278.10483	6.2
278.13611	1.8
279.11221	22.1
280.11926	2.5
281.09543	2.4
281.12845	23.1
282.10437	2.0
282.13464	6.1
283.10751	10.9
283.14291	6.8
284.11642	4.5
285.12277	15.1
286.13040	1.8
287.13794	8.8
289.11768	3.6
291.11182	11.9
292.11954	5.2
293.12775	13.2
294.10110	1.8
294.13516	4.5
295.10794	6.0
295.14294	3.3
296.11682	8.2
297.12347	16.5
298.13007	3.4
299.14005	17.9
300.14410	3.5
305.15005	13.8
307.10812	4.4
309.12302	92.4
310.12735	8.0
311.10428	3.7
311.13858	30.4
312.14362	2.7
313.11871	4.3
315.13834	2.7
319.10629	8.0
320.11349	1.7
321.12250	10.6
322.12796	1.6
323.10132	4.7
323.13779	2.4
325.11786	9.7
326.12494	3.8
327.13364	100.0
328.13947	7.8
330.12228	2.1
337.11768	29.1
337.15524	2.4
338.12509	3.7
339.13351	18.3
341.11194	1.6
341.14822	8.4
342.12253	2.9
343.13095	3.1
344.13846	2.0
355.13074	3.9
356.13434	1.8
357.14450	11.4
358.15274	4.4
359.15897	10.3
369.14435	67.1
370.15274	7.7
371.15988	42.9
372.16684	4.8
373.13989	4.3
386.14825	2.7
390.17633	1.9
404.16019	2.9
416.15967	4.2
417.16681	7.4
418.17300	2.1
420.19403	8.3
428.16086	3.3
430.17719	3.0
432.19189	8.2
434.16876	3.8
440.16019	2.0
446.16718	10.6
448.18338	3.3
458.16971	9.0
464.18066	37.6
465.18561	3.7
474.20410	7.1
476.18085	40.9
477.18350	4.0
478.19644	6.2
490.19675	12.3
491.20636	2.3
492.21326	30.7
493.21561	4.2
494.22855	2.3
496.13745	3.0
496.20761	57.5
497.20850	5.5
508.20795	81.2
509.20981	7.2
522.22107	6.6
536.20428	10.5
538.21771	4.0
583.25635	2.7
585.26379	2.3
611.24927	15.4
612.25574	1.9
615.27863	2.9
629.16400	3.1
629.26007	50.1
630.26392	6.5
643.27203	6.3
656.28021	3.2
661.28601	17.4
684.27087	3.3
791.31226	7.5
792.30768	2.4
823.38867	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	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04529	0.5
61.02927	0.7
65.03940	3.6
66.04719	0.5
67.05505	1.7
69.03434	1.7
69.07060	0.6
70.06590	15.9
71.04991	0.5
71.06902	0.4
71.34879	0.4
72.08160	3.6
74.06087	0.8
75.04487	1.9
77.03939	0.9
78.04694	2.0
79.05495	4.4
81.03419	1.8
81.07062	0.8
82.04176	0.8
83.08621	0.4
84.04527	0.8
84.08142	3.0
85.02903	6.3
86.09702	5.1
89.03899	0.8
89.06046	0.8
91.05479	8.7
93.03407	7.3
93.07054	3.0
94.04249	0.5
95.01376	0.6
95.04961	4.2
95.08615	0.7
96.08152	0.5
97.02882	1.4
97.06523	2.7
98.06062	1.2
99.04480	0.6
100.11259	1.2
102.04705	0.4
102.05512	0.5
103.05462	13.7
105.03404	1.4
105.04498	0.9
105.07022	5.5
106.03442	0.9
106.04171	15.9
107.04960	8.0
108.08115	0.5
109.02886	0.8
109.06528	1.3
110.03658	1.7
110.06070	0.6
110.07111	0.4
110.09690	0.8
111.04428	1.6
115.05476	4.0
115.08688	0.6
116.07079	0.8
116.16988	0.4
117.03397	0.7
117.07015	2.8
118.04158	3.4
119.04975	2.0
119.08553	0.8
120.05732	0.6
120.08099	1.3
121.06502	16.6
122.03593	0.4
122.06834	0.8
123.04433	3.1
123.08036	0.7
124.05206	1.9
124.07615	0.4
125.05981	6.6
127.03941	1.4
128.06216	0.5
128.10735	0.5
129.06978	0.6
129.10219	2.7
130.04163	0.9
131.04927	13.6
131.05930	0.8
131.08517	1.0
132.05661	1.6
133.02829	1.2
133.06482	5.2
134.03621	2.3
135.04402	1.6
135.08051	1.6
136.07584	1.5
137.05972	3.7
138.03131	0.7
138.06758	0.7
138.09105	0.8
139.07568	1.3
141.07022	0.6
141.10281	0.7
142.02579	1.8
143.04961	0.9
143.11830	0.5
144.05679	1.2
145.02838	1.8
145.05035	0.8
145.06468	5.0
146.03595	0.6
146.07225	0.7
147.04404	1.4
147.08031	1.0
148.05185	7.8
149.05978	27.5
150.06372	0.7
151.03902	1.8
151.07507	2.0
152.04680	1.1
153.05522	2.8
153.09102	7.5
155.05978	1.0
155.07111	0.6
157.06447	1.4
159.04422	0.9
159.08028	1.3
160.05151	0.7
161.05962	6.9
162.07729	0.5
163.03954	2.3
163.07529	13.6
165.05409	1.3
165.06757	0.5
166.06241	1.0
166.08653	1.7
167.07034	40.8
168.07410	1.2
169.13460	0.6
171.06514	1.8
173.05957	4.6
174.06729	0.8
175.07570	2.5
176.04652	1.6
177.05461	16.2
177.09004	0.4
178.05890	0.8
179.07024	1.0
180.08723	0.4
181.04953	49.1
181.08533	15.7
181.10150	0.9
182.05283	1.6
182.15440	0.7
183.14857	0.6
187.07500	2.0
189.05426	0.7
190.06255	1.0
191.07018	57.1
192.07472	2.0
193.04903	0.6
193.08551	3.0
195.06552	2.9
195.11195	0.6
197.12930	0.8
201.05470	1.4
203.07021	1.8
205.08583	3.0
207.06532	1.6
207.08400	0.5
207.10229	1.2
209.08073	100.0
210.08389	3.4
210.14900	1.4
213.12318	3.2
217.08482	2.2
218.09146	0.5
218.41083	0.4
219.08183	0.9
219.10077	3.5
221.08041	1.2
225.07526	0.9
233.08008	3.8
235.07477	1.1
235.09641	3.9
236.08029	0.7
241.08607	0.5
245.08063	1.5
247.07536	0.5
251.08885	0.7
252.07895	0.8
257.07983	1.0
263.06482	0.8
263.09146	15.8
263.11526	0.5
265.08414	0.7
265.13281	0.6
267.10004	2.0
277.08502	0.4
279.06497	0.5
279.10144	0.5
283.10501	0.6
293.07996	0.5
293.12714	0.4
295.09842	0.8
297.11407	1.4
307.09537	0.7
309.07291	0.4
309.11789	0.4
311.13715	0.6
325.10822	1.7
327.13098	0.8
329.13852	0.7
337.10870	1.1
339.12582	0.6
353.10211	0.6
355.11722	0.6
357.13370	3.9
359.14880	0.7
367.11856	0.8
369.13358	1.2
371.15222	0.5
385.12732	6.9
386.12860	0.7
387.14243	1.0
389.14880	0.4
399.14426	2.3
417.15411	16.0
418.15646	1.3
471.35703	0.5
484.32263	0.6
609.23444	1.0
613.25787	0.5
630.26508	0.6
631.27002	1.5
663.29071	0.5
701.62091	0.6
759.03320	0.4
785.86566	0.6
824.41638	1.2
825.55615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	6.5
67.05505	98.4
69.03434	8.9
69.07062	31.5
71.04996	5.1
73.02897	3.6
79.05489	68.3
81.03422	9.2
81.07050	100.0
83.04979	10.3
83.08613	18.7
83.46754	3.5
90.33279	3.5
91.05477	59.2
93.07036	76.9
95.04977	8.9
95.08607	56.7
97.06528	10.8
97.10162	5.0
98.23412	7.0
98.26499	3.7
99.08132	3.8
105.07023	45.8
107.04951	5.5
107.08580	40.4
109.06515	6.1
109.10133	29.5
117.07014	16.0
119.08572	32.5
121.06479	4.5
121.10130	27.6
123.11706	5.5
125.09603	4.7
129.07062	7.5
131.08585	27.4
133.10161	22.8
135.08092	5.6
135.11679	15.9
143.08568	9.7
145.10101	15.0
147.11691	14.7
149.09627	8.8
149.13268	9.0
157.10107	5.5
158.40758	3.3
159.11713	16.6
161.13316	4.3
168.12981	3.6
169.10051	5.9
173.13280	7.5
185.13200	4.8
195.13828	6.5
213.26740	4.6
229.14319	10.1
255.15874	5.1
257.19037	8.7
258.18457	4.2
261.22275	8.1
262.37555	4.0
269.17462	23.3
275.20190	26.3
275.22873	5.2
290.56091	4.3
292.34793	3.7
335.25772	92.3
336.26105	4.0
349.23801	19.9
367.24768	5.6
515.37183	10.2
529.38928	54.5
530.39069	5.7
543.40442	5.6
569.41791	12.2
609.45184	18.0
627.45374	5.3
648.18024	4.0
720.36200	4.4
744.37744	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.8
63.00679	2.9
65.03933	4.6
65.58656	3.2
67.05510	89.8
69.03435	8.6
69.07072	28.3
71.04982	2.8
79.05492	66.1
81.03414	9.4
81.07061	79.5
83.04964	5.1
83.08633	14.5
85.02907	3.6
91.05483	58.6
93.07048	56.4
95.04977	8.6
95.08605	60.3
96.54659	3.6
97.02856	5.0
97.06537	9.0
97.10159	13.5
105.07035	42.0
107.04962	6.1
107.08591	51.9
109.06541	7.1
109.10160	25.5
111.08077	4.1
117.07002	24.4
119.08581	35.5
121.06532	3.5
121.10158	26.6
123.08079	4.5
123.11728	6.7
125.09599	8.1
129.07065	14.1
131.08585	28.1
133.06448	3.4
133.10143	25.1
135.11708	16.4
143.08556	9.1
145.10153	23.7
147.11699	18.8
149.09627	10.3
149.13258	9.7
155.08604	5.5
157.10129	7.2
159.11665	19.0
161.13235	8.2
163.11101	3.7
163.14803	4.2
171.11742	7.3
173.13297	10.5
173.81918	3.5
175.11223	3.6
183.11745	3.9
185.13268	8.3
189.11162	8.2
195.11797	3.3
197.13245	4.4
199.14780	3.8
219.17537	3.7
227.12741	17.2
229.14331	4.0
239.17924	6.1
243.21101	2.9
257.19073	18.7
259.20636	3.9
261.22165	11.3
269.17584	6.0
270.05692	3.4
275.20038	50.8
293.21176	4.0
317.24741	3.5
331.22635	6.2
333.24475	3.7
335.25824	100.0
349.23749	46.7
367.24734	4.0
443.93774	3.2
489.35553	3.7
515.36920	4.7
529.39124	4.7
569.41760	6.6
609.45148	43.3
610.45056	8.4
627.45544	5.5
825.53699	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	825.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35178	0.5
63.57215	0.6
67.05520	1.2
69.03432	1.7
70.06594	9.5
70.66614	1.4
72.08177	2.0
79.05502	1.7
80.05030	1.7
81.03440	0.8
82.06590	1.4
84.04531	1.4
84.08175	1.5
85.02922	1.9
86.09705	3.7
91.05508	2.0
93.07043	4.3
94.06572	5.5
95.04939	0.7
95.07361	3.8
95.08653	0.8
96.08140	9.3
97.02892	1.0
97.06559	1.2
103.05466	1.2
107.07368	1.2
108.04477	3.1
108.08116	11.6
108.78886	0.8
109.02926	0.9
109.08926	0.8
110.06045	20.5
110.09681	15.3
120.04499	0.8
120.08099	13.8
120.08902	0.9
122.06045	3.4
122.09732	1.9
124.07594	4.2
127.03930	0.8
127.08671	1.2
129.10309	1.5
132.04439	1.3
134.06012	0.9
136.07581	13.5
137.08386	1.2
138.09135	22.7
140.07071	1.6
145.02823	0.7
146.05989	0.8
148.07549	4.4
150.09154	5.9
152.07059	4.1
154.08667	2.0
155.08223	1.3
157.29604	0.6
160.03951	9.7
160.05142	1.0
160.07552	0.7
162.05626	1.0
163.04016	1.1
164.07066	7.2
166.08640	37.5
167.09045	1.3
172.03984	1.4
174.05563	0.8
177.05423	0.8
178.05042	3.1
186.76717	0.6
189.86842	0.8
189.88675	0.7
190.04961	1.1
196.97699	0.6
197.10608	1.0
198.11357	0.9
199.08679	2.5
199.12535	0.7
204.06528	2.0
204.10390	0.7
209.10786	1.2
211.08615	3.4
211.12192	3.2
212.09425	1.4
213.10239	2.7
213.13872	0.6
220.09717	0.6
221.10779	0.9
222.11555	2.5
223.08673	2.7
223.12343	2.0
224.13181	1.7
225.10257	8.7
225.13808	1.3
226.08719	1.1
226.10927	7.1
227.08429	0.7
227.11739	4.9
228.58308	0.8
234.11418	0.9
235.08688	2.3
235.12364	3.0
236.09476	2.9
236.12865	1.1
237.10219	6.8
237.13782	4.4
238.10907	5.2
239.08163	8.7
239.11774	19.5
239.15416	1.0
240.12473	6.5
241.13318	1.4
247.12308	1.2
247.14572	1.0
248.09612	3.4
248.13033	1.0
248.20326	0.6
249.10187	7.2
249.14211	0.7
250.10954	11.1
251.08235	1.8
251.11797	21.3
252.08920	2.2
252.12477	5.8
253.09732	6.6
253.13373	17.9
254.10513	14.9
254.13902	1.1
255.11201	1.7
255.14964	1.6
261.10226	0.7
262.11005	1.4
263.11801	25.6
264.09106	1.3
264.12527	7.8
265.09793	6.2
265.13358	28.2
266.10654	3.9
266.13904	4.5
267.11292	12.1
267.14853	2.9
268.11975	1.5
269.09155	0.7
269.12885	2.1
271.10770	1.0
273.12433	1.0
275.11713	1.4
276.12686	0.9
277.09686	6.8
278.10406	3.7
279.11288	8.8
280.12015	2.4
281.09494	1.0
281.12817	23.0
282.10403	1.6
282.13544	3.9
283.10873	3.3
283.14401	10.3
284.11575	1.3
284.14752	1.1
285.12317	12.1
286.13098	1.7
291.11230	7.0
292.11783	1.4
293.09467	1.2
293.12808	12.4
294.13651	1.8
295.10779	6.4
295.14368	2.5
296.11514	9.3
297.12366	10.2
298.13013	1.7
299.13904	17.0
300.14371	1.5
307.10757	3.6
308.11539	0.8
309.12329	94.4
310.12677	8.5
311.13879	26.5
312.14279	2.0
313.11804	2.9
313.15259	1.2
319.10727	6.1
321.12369	5.2
323.10123	0.9
323.13809	2.2
325.11816	8.3
326.12463	2.4
327.13385	100.0
328.13681	7.1
337.11813	28.8
338.12445	4.9
339.13373	18.2
340.13864	2.6
341.15063	6.5
351.13391	1.3
353.15005	0.8
356.13608	1.0
357.14407	5.0
358.15369	2.6
359.15979	5.3
369.14450	75.9
370.14685	6.5
371.16028	49.9
371.19858	0.6
372.16400	5.1
375.15567	1.5
385.13870	0.7
408.59216	0.8
418.17426	1.0
420.19211	1.9
422.20837	9.6
430.17422	2.2
432.18918	1.1
434.20590	3.8
438.19470	0.7
446.20966	1.0
448.18512	11.4
449.18607	1.4
450.19925	1.3
460.18564	3.0
461.18692	0.7
462.19666	1.1
466.19772	34.3
467.19876	3.9
474.20377	1.8
478.19739	53.3
479.20093	5.5
490.19373	2.0
492.21292	28.7
493.21268	2.7
498.22360	37.8
499.22620	4.3
510.22357	72.4
511.22733	6.9
522.22363	1.0
524.23413	2.1
585.26788	1.2
587.28125	2.2
613.26416	10.4
614.26178	2.4
631.27594	51.7
632.27838	7.4
640.24774	0.9
645.28711	2.5
654.26178	1.6
663.30157	8.3
664.29877	1.7
690.68219	0.7
739.27997	0.7
825.36993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96461	0.9
65.03932	1.0
65.70165	0.9
67.05515	2.1
69.03423	2.8
69.07068	1.5
69.66161	3.1
70.06590	20.6
72.08162	4.3
73.92139	0.8
74.81263	0.9
79.05503	2.7
80.05018	1.2
81.03419	2.2
81.05797	1.0
81.07059	1.2
82.06581	1.7
84.04503	1.2
84.08140	4.1
85.02907	3.2
86.09713	7.7
88.03959	1.2
89.03969	1.1
91.05472	4.3
92.66250	1.0
93.03413	1.8
93.05782	1.4
93.07045	4.4
94.06584	6.6
95.04979	2.2
95.07365	6.2
96.08125	10.9
97.02899	1.9
97.06520	2.2
103.05485	3.3
105.07029	1.6
106.04209	1.9
106.06573	1.7
107.05008	1.3
107.07339	1.6
108.04493	3.1
108.08111	13.5
110.06042	22.1
110.07178	1.4
110.09678	17.8
116.07092	1.1
117.03383	2.0
117.07028	1.0
120.04478	1.8
120.08096	15.5
121.06496	4.2
122.06057	3.9
122.09676	2.8
124.07602	5.3
125.06028	1.0
127.03872	1.5
129.10294	3.8
131.04942	1.5
132.04439	1.4
134.06007	2.2
135.04468	1.3
136.07573	15.0
137.05939	1.2
138.09131	20.1
139.09572	1.3
140.07080	2.6
145.02834	1.8
146.06024	2.0
147.04454	1.6
148.07573	4.7
149.06004	5.2
150.06360	1.8
150.09114	8.1
152.07114	4.6
153.09149	1.3
154.08600	2.1
160.03931	8.6
162.05533	1.4
163.03893	2.6
163.07573	2.6
164.07080	6.1
166.08643	42.0
167.07027	5.2
167.09041	1.4
168.07324	1.3
168.10095	1.2
169.13396	1.1
172.03955	4.1
174.09190	1.1
177.05406	5.0
178.05016	2.6
181.04906	7.7
181.08603	2.2
182.05362	2.0
190.04993	3.2
191.06996	8.1
192.07437	1.9
195.66393	0.9
197.10503	1.3
199.08762	3.4
204.06523	6.2
209.08083	14.6
210.08423	5.4
210.11412	2.2
211.08588	5.2
211.12350	2.9
212.09331	1.5
213.10265	2.5
213.12390	2.6
221.10776	1.3
222.09293	0.9
222.11566	2.7
223.08690	2.1
223.12323	2.6
224.09431	2.1
224.13097	1.8
225.10228	12.1
225.13756	1.5
226.10974	8.0
227.11818	5.4
235.08673	2.4
235.12381	2.0
236.09323	2.1
236.12921	1.2
237.10239	7.9
237.13872	4.9
238.10901	6.4
239.08167	8.3
239.11792	16.2
240.12469	6.9
241.13315	2.6
247.12357	1.1
248.09526	3.1
249.10175	9.1
250.10960	10.9
251.08144	2.4
251.11790	18.8
252.08827	1.0
252.12440	5.2
253.09749	7.4
253.13350	14.0
254.10504	14.2
254.13435	1.4
254.14107	1.3
255.11111	2.2
257.12845	1.2
262.10947	1.6
263.09235	1.5
263.11777	24.3
264.09717	1.9
264.12503	8.8
265.09769	6.0
265.13361	27.2
266.10489	3.7
266.13940	2.2
267.11282	12.6
267.14850	2.4
268.11920	2.6
269.12863	1.0
271.10757	3.0
271.14301	1.5
273.12265	1.4
275.11835	1.3
277.09665	6.2
278.10510	3.2
279.11264	8.4
280.12003	2.5
281.12817	20.0
281.15665	1.6
282.10358	1.0
282.13547	4.0
283.10855	4.2
283.14426	10.6
284.11490	1.9
285.12317	13.9
286.13165	2.9
291.11249	7.1
292.11942	2.0
293.12759	12.4
294.10132	2.2
295.10794	6.4
295.14331	3.0
296.11523	10.5
297.12271	12.9
298.12982	2.0
299.13916	17.1
300.14404	1.9
307.10715	3.4
307.16440	1.9
308.11365	1.6
309.12320	96.0
310.12674	9.9
311.13904	23.7
312.14215	2.0
313.11978	1.9
313.15488	1.4
314.12430	1.4
319.10663	6.8
320.11310	1.3
321.12253	6.7
323.13864	2.2
325.11804	9.0
326.12381	1.4
327.13385	100.0
328.13623	6.9
337.07846	0.9
337.11792	29.1
338.12277	6.4
339.13403	16.6
340.13834	1.7
341.15002	6.3
344.13849	1.2
357.14444	6.3
358.15097	1.8
359.15945	6.4
369.14438	79.7
370.14771	6.9
371.16000	46.7
372.16293	4.5
375.15771	1.3
385.13596	1.2
386.13525	1.0
417.15671	2.4
418.16025	2.7
420.19275	2.0
422.20859	8.2
430.17560	2.5
432.19040	2.2
434.20654	3.8
444.20313	0.9
448.18494	14.4
449.18832	1.1
450.20108	1.3
460.18674	3.8
466.19730	35.2
466.26297	1.9
467.13788	1.0
467.19629	4.3
474.20065	2.6
478.19742	60.8
479.20026	6.2
490.19623	2.8
492.21283	25.4
492.27875	1.9
493.21701	3.7
498.22299	45.9
499.22864	5.0
510.22336	75.3
511.22745	9.2
522.22595	4.5
523.22778	1.0
524.23816	2.3
585.26465	1.8
587.28528	3.1
613.26392	12.5
614.26508	2.8
631.27637	62.0
632.27869	8.8
645.28992	2.6
654.26178	1.7
663.30060	11.1
664.29846	2.1
684.27051	2.7
685.27777	1.4
775.31268	1.9
793.32538	1.5
825.43219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.5
69.07073	0.7
69.09507	1.2
69.09919	1.5
70.06595	2.9
72.08159	0.6
73.04492	0.3
82.96375	0.4
84.08157	0.7
85.02904	1.7
86.09702	100.0
87.10052	1.5
91.05484	0.4
93.07019	0.5
97.02874	0.7
99.04475	0.7
103.03949	1.4
103.05468	1.7
107.04942	0.4
107.11414	0.3
116.98510	0.3
120.08102	44.7
121.08440	1.5
127.03915	2.7
128.05458	0.4
131.05008	0.4
132.10208	0.6
137.09608	2.1
145.04973	1.9
149.05989	1.0
163.06023	2.2
166.08627	12.8
167.08942	0.4
175.11198	0.3
193.12344	0.3
205.12306	1.4
223.13289	1.7
227.88731	0.4
233.16512	1.6
241.14316	0.4
271.08240	0.5
279.17029	65.9
280.17407	3.7
302.26297	0.3
377.77066	0.3
424.50070	0.4
435.44711	0.4
492.61343	0.4
522.59540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05027	2.3
61.02929	7.4
67.05507	51.1
69.03429	1.3
69.07076	4.9
69.09580	1.8
69.09982	9.4
71.05005	3.4
71.08633	13.4
73.02924	3.6
79.05484	1.9
81.07045	9.5
83.08626	6.6
85.02909	10.1
85.06559	1.5
85.10184	8.9
91.03973	7.7
91.05494	3.2
93.07037	2.2
95.08606	10.9
97.02889	4.6
97.10183	3.3
107.08614	1.8
109.10155	48.3
110.10512	2.0
111.08142	1.2
119.08581	3.0
123.11719	1.6
127.03910	1.9
137.09615	2.3
141.31395	1.2
145.04990	2.6
155.10620	2.6
163.06038	3.5
173.11740	13.0
220.81432	1.2
229.14349	100.0
230.14743	3.9
239.23607	1.1
257.24710	1.9
313.27359	74.1
314.27863	3.8
322.73199	1.2
329.56155	1.1
371.64258	1.2
454.63754	1.2
467.37326	61.9
468.37585	6.3
564.69440	1.4
639.55634	1.3
827.47729	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	827.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.3
67.43389	0.2
67.60020	0.2
69.07064	10.0
70.06595	2.6
70.88486	0.2
70.88842	0.3
72.08138	0.7
74.06075	0.2
78.36791	0.2
84.04493	0.3
84.08131	1.8
85.36480	0.2
86.09702	100.0
87.10035	2.1
92.89170	0.2
95.08597	0.4
101.07123	0.3
110.07152	0.2
120.08092	9.5
121.08433	0.4
129.10239	1.2
135.15234	0.2
136.07495	0.3
166.08627	6.1
167.09079	0.3
207.13803	0.7
233.16527	0.5
279.17023	40.5
280.17352	2.7
327.20779	0.2
343.19635	0.2
344.19717	0.2
556.34381	0.5
827.93341	0.4
850.55676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.8
70.06589	6.8
72.08155	2.8
74.11030	0.5
81.03382	0.7
81.07069	0.5
84.08163	0.6
85.02871	0.6
86.09703	2.1
89.22134	0.6
91.05469	0.6
93.07061	0.7
95.08633	0.5
107.08588	0.6
108.08093	0.7
110.09720	0.8
110.41477	0.5
120.08130	2.2
122.09705	0.6
127.03906	1.0
132.08096	0.7
136.07565	0.8
138.09169	1.9
144.04230	0.6
145.02853	0.5
145.04964	1.2
146.05736	0.6
148.07567	0.7
166.08626	2.7
175.03841	0.7
177.05438	0.6
188.06842	1.4
209.84906	0.5
217.13470	1.0
226.04930	0.7
235.12209	0.9
237.10193	1.3
245.12907	0.6
251.11879	0.8
257.06339	0.6
263.11734	0.8
265.09921	0.9
266.59787	0.5
267.11200	0.6
270.06985	0.5
275.07983	0.6
279.11319	0.9
287.07922	4.5
288.08704	0.8
289.09409	0.8
293.12540	0.8
301.09512	1.2
303.11105	2.0
304.11905	1.0
305.09067	1.2
311.13620	5.0
312.14319	0.6
315.11081	0.8
316.11856	2.5
319.10623	0.5
321.12100	1.1
345.08475	1.4
347.10034	5.1
348.10779	2.1
349.11450	1.6
359.10202	1.6
360.10785	5.7
361.11588	1.5
379.12680	1.2
380.13931	0.7
396.17212	0.9
411.19427	0.7
412.16354	0.6
426.18073	0.7
428.19894	0.6
438.17877	1.5
439.18155	0.9
440.15564	13.3
441.16074	0.8
444.18591	0.5
454.17270	2.7
455.18109	0.9
458.16809	3.7
467.18182	1.0
468.18942	1.8
469.19702	2.9
472.18332	5.4
473.18948	1.6
482.16931	1.6
485.19205	2.4
486.20459	1.0
495.18289	0.7
498.16614	1.5
512.17664	0.7
513.18689	10.9
514.19171	2.8
545.21399	1.1
546.22314	0.6
591.25812	2.6
635.24707	100.0
636.14929	1.1
636.25049	14.5
653.25793	0.8
667.27313	22.1
668.27527	2.5
707.26208	1.8
828.83502	0.7
829.31738	11.9
830.31989	2.5
850.27008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36922	1.4
65.58679	1.5
67.05518	1.8
72.08172	1.5
87.17477	1.4
93.04216	1.5
97.02909	1.5
98.23346	4.7
159.04089	1.4
165.65120	1.5
184.07353	1.9
218.07309	1.6
228.82964	1.7
228.86302	1.9
237.02972	1.6
408.28574	1.5
458.53488	1.6
463.46503	1.8
519.29486	2.2
703.40637	2.8
829.48706	100.0
830.48859	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05022	0.4
61.02928	6.6
67.05502	5.4
69.03430	4.2
69.07068	2.0
69.54755	0.4
71.01358	0.3
71.04998	0.7
73.02915	4.7
78.71052	0.3
79.05493	4.6
80.09662	0.3
81.03426	2.1
81.07055	6.0
83.05002	0.5
83.08635	0.9
85.02898	5.6
85.06574	0.7
86.09742	0.5
87.01661	0.3
87.04477	0.6
91.03941	4.2
91.05475	3.0
93.07033	5.2
93.07545	0.4
95.04971	0.4
95.08607	4.7
97.02889	5.4
97.06547	0.5
97.10195	1.0
99.04471	0.9
101.02369	2.2
103.03940	0.7
105.07025	2.0
107.08601	2.4
109.02921	1.1
109.06540	0.5
109.10139	1.7
111.27053	0.4
115.03982	0.5
117.07043	0.6
119.08622	1.6
119.56308	0.3
121.10131	2.3
127.03952	1.1
131.08621	1.2
133.10150	1.1
135.11716	1.0
140.55696	0.3
145.10138	0.9
147.11758	0.8
149.13251	0.4
159.11853	0.6
161.13307	0.4
173.13290	0.6
184.07343	0.6
185.04308	1.1
212.02438	0.4
216.63318	0.3
228.75528	0.4
243.08372	2.8
282.95728	0.4
318.53806	0.4
333.20367	3.4
334.20667	0.4
335.25949	0.7
343.92584	0.4
465.21185	1.0
519.29193	9.2
520.29736	0.6
551.28174	4.8
743.43854	0.6
829.50629	100.0
830.51025	14.3
830.63409	0.3
842.36060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.1
67.05502	4.2
69.03424	2.7
69.07080	1.5
69.10259	4.8
73.02918	3.9
79.05487	3.1
81.03452	1.2
81.07052	3.9
81.91618	0.5
83.08646	0.6
85.02903	3.8
91.03973	2.1
91.05489	2.3
93.07036	3.6
94.94526	0.5
95.08601	3.1
97.02910	2.7
98.21641	0.5
98.23331	1.1
99.04491	0.6
101.02400	2.0
105.07068	1.2
107.08620	2.1
109.10180	1.1
109.75863	0.5
119.08619	1.3
121.10149	1.2
127.03942	0.8
133.10201	0.5
135.11775	0.7
147.52322	0.5
173.70119	0.6
179.69133	0.5
184.07402	1.4
227.28198	0.4
243.08461	1.9
250.11035	0.5
333.20538	1.6
363.75314	0.5
453.20547	0.6
519.29236	5.8
551.28058	4.0
731.42804	0.7
829.50647	100.0
830.50952	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.6
65.03962	0.6
67.05509	7.7
68.37271	0.6
69.03430	4.1
69.07076	1.2
71.04999	0.7
73.02923	4.7
79.05496	5.8
80.24142	0.5
81.03426	2.1
81.07064	6.4
83.04984	0.6
83.08619	0.9
85.02910	5.8
86.09666	0.6
91.03964	3.5
91.05479	4.0
93.07053	5.4
95.08611	5.6
97.02889	5.1
97.06517	0.7
97.10135	0.6
99.04469	0.9
101.02402	1.8
105.07074	1.4
106.86444	0.6
107.08596	3.1
109.02907	0.8
109.10165	1.8
111.08083	0.5
117.07053	0.8
117.31833	0.5
119.08595	1.6
121.10180	2.0
123.11692	0.5
127.03962	1.9
131.08611	1.2
133.10147	0.8
135.11746	1.0
137.06055	2.4
145.10115	0.6
147.11783	0.9
149.13318	0.8
185.04250	0.6
203.05327	0.9
225.30676	0.5
228.71524	0.5
243.08362	2.9
263.20557	0.5
333.20358	3.3
335.25864	0.9
338.27475	0.6
519.29272	9.6
520.29517	1.1
551.28241	5.0
552.28119	0.8
574.83252	0.6
584.83624	0.6
614.45105	1.4
646.08813	0.6
693.66510	0.7
774.90906	0.6
829.50677	100.0
830.51038	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	830.359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	2.8
62.21143	0.8
65.17256	0.8
67.05506	6.6
68.05025	1.9
69.03428	1.9
69.07069	9.7
69.91895	1.6
69.92273	2.8
70.06598	21.0
72.08154	5.2
74.06117	0.9
79.05500	6.6
80.05042	2.5
81.03445	1.7
81.05823	1.0
81.07043	5.7
82.06609	4.1
84.04497	1.0
84.08155	6.1
84.11998	0.9
85.02921	2.0
86.06013	0.8
86.09703	4.3
91.05486	4.9
93.05784	1.0
93.07034	5.9
94.06557	7.1
95.07392	1.5
95.08595	4.4
96.08133	12.9
97.02927	1.6
98.06019	0.9
98.09706	1.4
105.07050	2.6
107.04969	0.9
107.07329	6.8
107.08607	3.2
108.08134	12.9
109.08914	2.2
110.07089	0.9
110.09680	3.2
112.07612	1.4
114.09178	1.1
115.08651	0.9
117.07045	1.1
119.04942	3.6
119.08632	1.3
120.08111	9.5
121.02872	13.6
121.10113	1.2
122.09686	8.4
124.11242	1.3
127.03947	1.8
127.09976	3.8
128.10735	1.4
129.10239	1.8
131.08490	1.0
134.09686	2.6
135.11705	0.8
136.07603	2.7
136.11174	1.2
140.10716	5.6
145.02853	2.7
145.04980	0.9
147.04442	2.4
147.11586	1.0
148.11249	1.1
152.14357	1.3
155.08061	0.8
161.02280	1.0
163.03940	3.7
177.05426	0.9
179.03368	1.4
189.01904	3.5
191.03447	1.6
195.02866	1.3
198.15019	0.9
203.03421	3.2
205.05014	1.2
207.02921	2.2
215.03482	2.7
217.04994	1.7
218.19150	1.2
219.02916	1.8
220.20482	4.0
221.04494	1.2
227.03459	1.1
231.02922	1.2
232.16982	1.3
241.05019	0.9
245.04584	1.1
246.18524	8.6
248.20099	56.6
249.20529	2.7
261.03906	1.6
264.19626	3.1
266.21155	67.4
267.21426	4.5
268.07373	1.4
271.82715	1.0
281.08066	2.8
283.06259	3.1
284.06766	1.6
284.22217	35.1
285.22552	2.2
293.08173	1.2
294.05209	9.2
295.05978	28.1
295.09177	1.5
296.06714	3.2
297.07504	4.4
298.08224	0.9
305.08032	1.4
307.06006	24.3
307.09198	1.2
308.06781	5.7
308.22296	1.3
309.07523	11.2
313.07086	3.3
317.08047	1.1
319.06113	2.9
320.06705	2.5
321.07578	14.6
322.08047	2.0
323.05621	2.0
323.08939	1.8
325.07068	21.0
327.08759	4.8
329.08328	1.2
333.07599	7.6
334.08261	1.3
335.05670	1.4
335.09042	5.7
336.06219	1.6
337.07050	21.0
337.10849	1.8
339.05228	1.5
339.08408	5.0
345.07294	4.2
347.09244	2.0
349.07053	11.1
351.08591	5.9
355.08148	2.2
356.24136	1.0
361.06989	10.4
362.07440	1.1
363.08652	8.3
365.06244	1.3
367.08218	4.5
373.06943	4.4
374.07654	1.2
375.08777	3.2
377.10574	1.3
379.08078	10.1
387.08942	1.7
391.08038	15.1
392.08615	1.3
393.09662	2.0
401.10043	1.6
403.08191	2.6
409.09244	5.3
410.25510	2.1
415.07993	1.3
421.09271	2.7
427.10318	1.5
428.26431	4.9
433.09406	2.0
445.09283	2.0
465.11417	1.0
493.12027	0.9
499.82230	0.9
584.26288	1.0
602.27551	1.4
620.28894	1.4
656.28149	1.1
674.29468	1.1
692.30811	2.8
710.31384	2.2
722.31970	1.5
740.32867	16.9
741.32928	3.0
764.32983	1.2
770.33490	2.3
776.32825	2.8
794.33698	15.2
795.33936	2.3
812.34814	46.0
813.35455	6.8
830.35730	100.0
831.36029	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	831.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04225	1.5
60.04528	25.6
68.05048	1.3
69.07074	7.0
69.41518	6.5
70.02954	2.7
70.06599	2.6
72.08155	30.9
85.07603	1.0
86.06074	34.3
86.09710	100.0
87.10033	2.1
88.03997	11.2
88.87119	1.3
92.58803	1.0
97.04037	1.4
98.23324	2.1
113.07153	1.3
114.05533	73.6
115.05108	2.4
125.08306	0.9
139.05077	1.5
141.06601	11.4
143.11790	6.1
155.08104	1.3
156.10179	1.6
157.06062	8.0
163.95053	1.0
166.08649	1.6
171.11317	6.1
175.07138	5.2
183.07658	29.9
185.05580	5.8
185.16560	2.4
201.08748	5.9
201.12413	7.2
203.06633	23.4
213.16074	1.1
226.11858	1.7
229.11894	1.5
233.11404	4.1
252.09799	2.0
270.10855	8.3
270.14468	3.9
270.18161	2.1
284.19794	1.7
288.15448	1.6
295.77734	1.1
298.10339	28.7
299.10709	1.7
316.11432	28.7
316.15088	2.5
355.93536	1.0
374.01059	1.1
382.20990	1.2
383.19147	3.4
401.20358	21.0
403.21686	1.8
415.22122	1.3
429.19824	62.5
430.19958	6.1
480.00424	1.1
486.25735	2.9
510.25577	1.4
517.25256	1.2
528.26636	60.7
529.27026	6.4
566.05743	1.1
599.30243	36.7
600.30322	3.6
698.37091	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	831.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.6
62.45578	0.5
62.91211	0.5
67.05507	4.2
69.03451	2.8
69.07064	1.0
69.37702	3.7
71.08640	0.6
72.11114	0.6
73.02913	4.4
81.03436	1.5
81.07075	1.0
83.08640	0.6
85.02912	6.2
85.10201	0.6
87.04446	0.5
87.80563	0.5
91.03946	3.1
95.08601	1.4
97.02899	5.7
99.04475	1.2
101.02407	2.2
109.02893	0.8
109.10167	4.1
127.03951	1.9
145.04939	0.8
146.34259	0.5
147.52789	0.6
173.11725	1.1
185.04213	0.9
195.09775	0.6
203.05339	0.7
229.14581	0.9
243.08371	2.7
313.27512	0.8
315.10629	0.5
325.91766	0.6
347.09503	1.2
363.09360	0.7
365.10468	1.0
405.13815	4.9
413.17828	9.1
497.30487	4.5
575.23022	7.7
576.23773	1.1
659.36029	4.4
669.41925	2.2
831.47034	100.0
832.47302	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	832.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	7.5
60.04517	1.0
61.02950	0.6
67.05515	6.2
68.05016	0.7
69.03434	2.4
69.07072	3.6
70.06593	19.6
70.90409	0.6
71.07383	1.4
71.29913	0.6
72.08156	9.2
74.06070	1.0
79.05492	4.0
81.03436	1.6
81.07056	8.0
82.06590	2.5
83.06136	0.6
83.08634	1.7
84.04519	2.5
84.08146	33.3
85.02896	3.6
85.06545	0.7
85.08489	0.7
86.09711	7.3
87.05584	0.7
88.07660	0.8
91.05485	3.4
93.07029	3.2
94.06583	1.5
95.04964	1.6
95.08595	7.4
96.08137	6.1
97.02914	1.1
97.06545	1.7
97.08953	0.9
98.06059	1.3
98.09699	2.7
102.05559	1.2
105.07040	1.5
107.04970	1.5
107.07394	0.8
107.08622	1.9
108.08132	2.7
109.02863	1.3
109.10176	2.9
110.07162	1.4
110.09682	9.7
111.10476	3.3
112.07654	0.7
112.08680	0.6
112.11240	4.3
114.09187	1.7
115.08683	0.7
119.04959	2.9
119.08609	1.1
120.08101	4.0
121.02879	6.2
121.10158	1.4
122.09699	0.8
123.04524	0.6
124.11240	4.9
127.03915	1.9
128.10722	12.9
129.10294	3.2
131.08516	0.7
135.04463	0.9
135.11696	0.8
136.07555	0.7
138.12799	1.2
144.10237	1.8
145.02931	1.9
145.05016	0.9
147.04460	2.7
147.11717	0.9
152.14287	1.4
163.03893	4.2
169.09843	1.1
175.03967	1.1
177.05466	0.8
179.03455	0.8
180.17485	1.1
189.01930	1.7
191.03401	1.2
194.19212	1.2
195.02766	0.7
203.03519	1.3
207.02946	1.3
207.06662	1.3
215.03419	1.2
217.04974	1.3
219.02998	1.1
222.22247	0.8
231.02872	1.0
233.04366	1.1
243.02913	0.9
246.18654	0.6
248.20125	3.7
249.20425	1.9
250.21672	29.2
251.22134	1.6
263.07489	0.6
266.21149	4.7
267.21527	2.7
268.22714	67.2
269.23065	4.1
279.06677	0.7
280.07431	0.7
281.08246	1.2
283.06146	2.1
284.22229	3.9
285.22656	1.4
286.23773	25.6
287.24167	1.6
294.05185	4.4
295.05997	12.4
296.06509	2.8
297.07648	2.4
307.06003	12.3
307.09262	1.0
308.06625	3.5
309.07510	5.8
310.07846	0.8
310.23804	1.6
313.07214	1.4
317.08109	1.1
319.06073	1.6
320.06876	2.0
321.07532	6.3
322.07895	1.4
323.05731	1.1
323.09259	0.9
325.07025	9.8
326.07440	1.4
327.08664	2.2
329.08093	0.7
333.07477	3.7
334.08276	1.2
335.09058	3.0
336.06607	0.9
337.07068	9.2
337.10849	0.8
338.07367	1.6
339.08646	3.7
340.24991	0.9
345.07620	1.4
349.07089	5.2
350.07510	1.6
351.08640	3.1
352.54630	0.6
355.07947	1.1
361.06976	5.5
362.07492	0.6
363.08563	4.0
364.09277	1.1
367.08118	2.8
373.07144	2.2
375.08786	2.0
379.08090	5.2
380.08377	0.8
381.09650	1.0
391.08060	7.3
392.08563	1.2
393.09705	1.2
397.09360	0.6
405.09494	0.9
409.09189	4.5
412.27081	2.2
415.07874	0.8
421.09143	1.4
429.10431	0.9
430.28162	1.8
433.09222	1.4
439.10815	1.2
445.09525	0.9
604.28992	2.5
622.30115	0.9
628.28937	1.1
634.30157	2.0
646.29388	0.9
658.29907	2.1
676.30988	2.4
687.38763	0.7
694.31805	1.3
742.34277	8.9
772.35425	2.1
778.33997	1.3
796.35474	3.3
814.36047	20.5
815.36414	2.9
832.37280	100.0
833.37567	15.6
833.52148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	6.7
59.09267	0.9
61.02932	2.2
65.03972	1.1
67.05513	5.9
69.03432	10.3
69.07085	5.0
70.06588	6.1
71.05016	2.0
71.29935	1.1
72.08155	43.6
72.71568	1.1
73.02939	1.4
73.08514	1.0
79.05527	1.5
81.03419	6.6
81.07055	9.9
83.04958	1.1
83.08648	2.6
84.08147	5.1
85.02901	16.9
85.03345	1.1
85.06536	1.1
85.08908	4.5
86.09732	2.3
87.04462	1.5
91.05480	41.0
93.07059	1.6
93.88423	1.1
95.08604	9.1
96.08160	1.0
97.02902	9.7
97.10199	2.2
98.09698	8.6
99.04451	11.0
101.10821	0.9
102.09190	1.6
103.03935	6.0
105.07037	5.3
109.02876	7.6
109.10212	3.8
110.09756	1.2
112.11261	1.7
114.87721	0.9
117.07013	7.3
120.08170	0.9
123.11775	1.0
124.11198	1.1
127.03914	17.4
127.04771	1.1
131.08572	8.3
131.09358	0.8
145.05037	3.3
145.10187	1.2
147.11763	1.0
177.05542	1.4
182.66254	1.0
187.06161	1.7
202.16537	1.0
207.06558	1.4
211.12288	0.9
224.49054	1.3
232.07396	1.0
236.62830	1.0
255.58597	1.0
265.13376	1.2
271.08304	1.2
328.29965	29.6
328.33762	1.5
329.30573	2.9
346.31042	63.9
347.31656	3.7
364.32129	29.9
365.32675	1.2
390.47662	1.0
554.71057	1.0
592.39355	1.1
608.42554	1.2
652.40350	8.9
670.41571	100.0
671.42010	12.6
814.44543	1.2
832.46875	50.3
833.47314	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	5.5
61.02937	2.4
64.37468	1.0
65.03937	1.9
67.05503	6.6
69.03432	13.0
69.07059	3.6
70.06604	6.5
71.04974	1.9
71.30075	1.4
72.08157	42.9
73.02931	3.5
75.69921	1.0
79.05507	1.5
81.03418	8.1
81.07065	8.5
83.05015	1.3
83.08634	3.1
84.06297	1.0
84.08154	4.7
85.02900	30.5
85.08954	3.9
86.09724	3.0
87.04485	2.1
91.05480	38.1
92.05865	1.0
93.07055	2.4
95.08618	6.5
97.02886	13.7
98.09692	10.2
99.04462	15.3
102.09177	2.1
103.03929	10.2
105.07039	4.8
107.08627	1.5
109.02876	10.0
109.08314	1.3
109.10170	4.1
110.09666	1.2
112.11258	1.8
117.07019	6.6
119.08592	1.1
119.97973	1.0
121.10129	1.5
124.88300	1.0
127.03922	31.2
129.06993	1.8
131.08537	8.4
145.04951	7.3
145.10187	1.9
159.57089	0.9
163.05988	1.7
169.05016	1.2
187.06096	1.8
262.06659	1.0
271.08292	1.8
328.29965	28.5
329.30508	3.0
346.31033	61.0
347.31616	4.4
364.32080	41.2
365.32544	3.0
586.18451	1.0
670.41718	10.6
814.45667	7.3
832.46875	100.0
833.47125	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	28.2
67.05511	1.8
69.03446	5.3
69.04208	2.2
69.04607	9.9
69.07062	2.0
70.06615	6.4
72.08163	6.6
79.05526	2.1
81.03439	5.4
81.07092	2.8
82.06609	1.6
84.08150	3.8
84.59232	1.4
85.02906	10.6
91.05507	1.5
93.07063	2.4
96.08151	4.9
97.02884	7.9
98.09703	2.6
98.23350	3.3
99.04476	1.7
100.07658	1.7
105.07046	1.7
107.08640	2.0
108.08130	5.2
109.02885	24.5
110.03260	1.3
110.09660	1.7
114.09187	1.7
121.02897	5.9
122.09682	2.2
124.11255	2.1
126.09173	4.2
127.03925	13.2
128.10786	1.9
144.10233	6.5
145.05009	2.1
153.54813	1.3
155.07912	1.3
168.13901	1.7
169.05029	3.6
171.29362	1.5
187.06056	12.2
205.07103	3.4
207.02850	1.6
226.18137	1.5
229.07108	2.1
234.18523	3.6
247.08237	10.3
250.18193	2.6
252.19543	14.8
270.20627	20.8
270.23203	1.4
288.21695	26.1
294.05344	4.3
295.05981	14.3
296.06732	1.9
307.06052	12.4
308.06796	3.1
309.07635	4.6
319.06085	2.6
321.07529	7.4
325.07123	11.4
333.07590	3.6
335.09265	2.8
337.07156	11.7
339.08679	2.9
349.07211	6.0
351.08640	2.6
361.07169	3.6
363.08798	5.5
367.08286	4.2
373.07254	2.0
379.08023	6.6
391.08057	10.4
393.09555	2.4
403.07846	1.9
409.09219	3.2
439.10382	2.1
644.56610	1.5
744.32312	10.1
798.33038	3.2
802.47864	1.6
816.34210	17.0
817.34515	3.7
834.35419	100.0
835.35693	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	835.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.4
69.37479	5.2
69.37894	4.4
70.06593	15.8
72.08143	11.3
81.03404	3.0
81.07070	2.4
84.08151	4.0
85.02901	11.8
86.09698	4.9
91.05482	3.4
93.05752	1.5
93.07037	2.6
94.06567	3.8
95.07359	2.1
95.08623	1.5
96.08142	6.2
97.02898	3.7
98.22587	2.3
99.04435	2.3
103.05431	1.7
105.07059	1.6
108.08117	8.8
109.02876	3.4
110.09688	9.0
120.08099	10.7
122.06030	12.8
122.09708	2.7
124.07601	2.0
127.03885	2.3
134.05952	1.4
136.07565	18.0
138.09128	12.2
145.02876	1.6
147.04378	2.6
148.07564	7.2
150.09128	5.3
152.07066	2.2
163.03934	3.0
166.08624	23.3
175.03670	1.5
204.06505	1.5
208.50864	1.5
223.12437	2.8
224.09488	1.8
225.10191	4.0
235.08484	3.3
236.09464	5.3
237.10229	20.1
239.11836	3.6
241.13266	2.1
243.11267	4.1
249.10202	22.2
250.10910	5.0
251.08154	2.3
251.11819	5.9
252.08907	2.4
253.09778	4.1
255.11353	2.0
261.10138	2.1
263.08182	3.4
264.08878	14.6
265.09695	14.6
266.10202	2.4
267.11166	7.5
277.09662	19.8
278.07565	1.3
278.10345	8.3
279.08121	2.2
279.11237	19.3
280.08807	1.6
280.11780	1.9
281.09201	5.3
283.10858	2.3
285.12372	5.0
290.10342	1.8
291.07816	3.3
291.11118	2.8
292.08344	4.5
292.11646	1.9
293.09256	47.4
293.12766	9.1
294.09604	4.2
294.13211	2.0
295.10657	5.6
305.09207	12.4
306.09784	2.2
307.10764	15.0
309.08670	3.9
309.12238	5.8
311.10205	4.1
311.13849	1.6
313.11752	3.0
317.14987	6.1
319.10855	2.6
321.12222	2.6
323.10272	12.4
324.11160	1.6
325.11633	6.9
327.13501	3.6
333.08670	8.0
335.10062	1.6
337.11719	4.8
338.12274	2.1
339.09793	2.6
339.13367	13.0
340.14200	2.2
341.15030	1.6
351.09738	41.2
352.10159	3.1
353.11154	2.9
353.15121	2.2
354.12061	3.4
355.12888	4.7
356.13684	3.1
357.14713	2.0
365.11240	2.7
366.12024	15.0
368.13922	2.5
369.14551	4.1
370.11417	2.0
370.15540	2.9
371.12497	10.4
371.16663	2.3
382.11530	3.0
383.12402	17.0
385.13806	10.5
397.13919	6.3
398.14557	5.6
399.15256	2.1
407.59940	1.5
412.16446	3.3
418.17575	2.5
428.15726	3.0
430.17740	2.2
438.14236	5.0
446.17078	14.7
453.15549	1.7
456.15463	7.0
458.16489	2.8
476.18488	7.4
478.19830	2.2
486.16205	5.0
488.18335	3.1
490.19278	3.9
504.17282	2.9
518.19360	13.2
519.19781	9.7
536.20245	20.2
537.20703	2.9
550.21783	14.6
551.22705	9.7
552.22687	2.6
580.21814	2.0
609.22900	4.5
623.24231	4.0
640.24860	4.0
641.26117	29.9
642.25812	4.2
648.21069	2.2
655.23602	2.1
670.17059	1.9
680.24365	27.6
681.25238	19.4
682.25641	4.3
712.26514	4.5
713.27838	100.0
714.28119	11.5
803.29907	3.0
835.31097	2.8
835.44739	2.5
836.45917	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	837.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.0
69.03406	4.9
69.07037	2.0
69.36665	12.9
70.06592	17.4
72.08149	11.9
79.05479	3.0
81.03400	3.8
81.07059	4.1
82.06573	3.0
84.08136	5.0
85.02913	4.5
86.09689	5.5
87.21397	2.5
91.05466	5.6
93.07031	7.7
94.06573	5.0
94.46599	2.1
95.07345	5.5
95.08622	2.2
96.08134	11.4
97.02872	3.7
99.04430	2.6
108.04496	3.5
108.08114	12.9
109.02890	4.4
110.06026	7.9
110.09650	16.7
120.08095	13.3
122.06042	5.5
122.09666	6.6
127.03899	6.0
129.10226	2.3
132.08095	2.3
134.06085	2.5
136.07526	6.0
138.05515	2.3
138.09134	22.7
142.24362	1.8
145.02919	3.0
145.04883	2.4
147.04408	2.8
148.07561	2.8
150.09100	4.2
152.07007	3.5
160.03960	10.2
163.03770	2.3
166.08638	26.1
172.03899	5.2
177.05473	2.3
180.10193	3.9
182.11792	3.5
192.06525	2.6
193.41757	2.5
197.10738	3.1
204.06555	5.8
211.08678	6.6
211.12231	3.0
212.09271	4.3
213.10324	4.4
222.94226	2.0
223.08612	4.2
225.10214	20.3
226.10963	13.1
227.11777	8.3
235.08530	3.5
235.12206	3.8
236.09418	3.8
237.10210	11.6
238.10829	4.6
239.08189	9.6
239.11739	26.8
240.08963	2.6
240.12514	10.3
241.09637	3.1
241.13307	5.9
243.11287	5.0
244.11595	3.0
248.09430	5.6
249.10196	8.5
250.10992	10.2
251.08136	6.6
251.11775	22.6
252.12527	4.7
253.09628	10.9
253.13348	7.5
254.10515	8.7
262.11017	2.7
263.11734	29.7
264.12430	6.3
265.09744	9.0
265.13309	15.0
266.10452	5.9
266.13885	5.3
267.11325	12.7
271.10675	5.5
277.09781	4.9
278.10474	3.6
279.11163	10.7
281.12930	13.7
283.10742	6.7
285.12268	16.6
286.12860	3.0
291.11200	8.4
293.12781	6.9
295.10706	2.3
297.12308	4.9
298.13242	4.5
299.13904	41.8
300.14349	4.5
309.12341	6.8
310.12994	5.1
311.13834	15.1
312.14478	2.7
313.15472	34.8
317.14908	5.6
319.10617	7.5
323.13837	39.4
324.14417	3.3
325.15485	35.2
326.15927	3.6
327.13577	3.1
327.17264	2.5
337.11670	2.5
339.09717	6.1
339.13452	5.0
340.14130	2.7
341.14944	72.6
342.15222	4.9
351.13306	14.5
352.13971	3.7
353.14920	11.3
371.15848	3.2
372.16788	4.3
373.17584	15.4
383.15988	56.3
384.16498	5.7
385.10059	3.0
385.17532	35.9
386.17603	2.5
411.80569	2.7
460.18536	2.4
472.18726	3.3
478.19516	23.7
490.20096	10.2
492.21262	4.8
499.17447	2.7
504.21484	14.2
506.22949	15.0
508.24435	2.5
510.22354	100.0
511.22421	10.8
522.22314	87.8
522.30450	2.7
523.22479	9.4
537.24493	2.2
538.25397	4.4
550.21692	10.2
611.29431	2.2
639.24121	3.9
643.27338	6.9
657.28009	5.8
670.29047	2.7
675.29675	7.3
779.30688	2.4
837.45465	18.8
838.46576	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	838.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.3
64.32384	0.9
65.58453	0.9
67.05510	13.0
69.03430	18.5
69.07068	2.4
69.44725	2.3
69.45156	3.9
70.06594	8.2
71.05003	2.1
71.45825	0.8
72.08160	29.3
73.02921	2.9
79.05503	7.7
81.03423	7.2
81.07060	9.1
83.08628	1.5
84.08163	3.5
85.02907	51.0
85.08941	2.7
86.09725	3.0
87.04485	2.8
91.03961	1.6
91.05473	5.9
93.07037	7.5
95.04978	1.7
95.08611	6.6
97.02888	17.6
98.09692	8.4
98.23313	2.0
99.04478	3.0
105.07059	4.8
107.08604	4.3
109.02882	6.8
109.10179	2.7
110.09745	0.9
119.04893	1.3
119.08594	2.2
121.10156	4.1
122.09657	1.0
127.03918	12.3
128.10776	1.1
129.68611	1.1
131.08612	1.5
133.10156	2.0
135.11740	1.8
136.88470	1.2
138.09175	1.4
145.02936	1.0
145.04962	10.8
145.10162	1.6
147.04454	1.7
147.11714	1.7
163.05965	1.2
166.08681	1.1
177.05519	3.0
253.40364	1.0
316.30023	12.6
334.31049	50.8
335.31427	5.2
352.32101	100.0
353.32404	7.3
437.86319	0.9
514.37305	5.6
676.42645	3.3
820.46545	3.8
838.47827	57.7
839.48218	9.8
858.28717	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	839.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.6
69.03426	1.3
69.07055	0.7
70.06591	7.9
70.45009	0.9
70.45351	1.6
72.08144	2.9
79.05476	1.2
81.03416	1.7
81.07069	1.8
82.06578	1.4
84.04548	1.1
84.08130	1.6
85.02893	2.4
85.08430	0.6
86.09689	3.2
89.03939	1.1
91.05470	2.7
93.05785	0.7
93.07033	3.0
94.06528	3.4
95.04958	0.8
95.07345	2.6
95.08586	1.5
96.08139	4.1
97.02906	1.4
99.04437	1.1
103.03937	0.8
103.05451	1.5
105.07042	0.9
106.06513	0.8
108.04489	3.9
108.08107	8.3
109.02875	1.2
110.06040	12.8
110.07167	1.1
110.09694	9.0
110.10396	1.1
113.15943	0.7
117.03381	1.1
118.06480	0.8
119.04897	0.8
120.08092	9.1
121.06506	1.0
121.10173	0.8
122.06026	2.4
122.09660	1.6
124.07596	1.5
127.03901	2.5
129.10252	1.3
132.04442	1.5
134.05986	1.1
136.07576	6.8
138.09117	11.3
145.02859	2.8
148.07594	2.3
150.09169	2.8
152.07065	1.2
154.08669	0.8
160.03932	9.9
163.03816	1.7
166.08641	18.8
167.07025	0.9
168.10213	0.8
172.03969	0.7
175.03976	0.9
177.05505	4.9
180.10176	6.2
182.11772	2.3
190.04971	0.8
192.06631	1.8
197.10793	0.8
198.11465	0.7
204.06578	2.1
207.06532	1.5
208.09784	0.9
210.11452	1.0
211.08678	2.3
211.12340	1.7
212.09514	0.7
213.10278	1.5
222.11546	1.7
223.08664	2.4
223.12315	1.7
225.10229	8.4
226.10941	8.7
227.11731	6.3
235.08664	1.2
235.12367	1.7
236.09488	1.3
237.10153	5.7
237.13904	1.9
238.10995	3.2
239.08192	5.8
239.11768	22.5
240.08507	0.9
240.12480	5.6
241.09662	0.9
241.13116	1.2
248.09512	2.9
249.10228	5.6
250.10997	6.2
251.08073	1.8
251.11790	16.8
252.09102	0.9
252.12543	3.6
253.09692	6.5
253.13332	6.4
254.10498	8.5
254.13916	1.2
255.11092	1.3
262.11078	0.9
263.11807	23.5
264.08914	1.1
264.12408	4.2
265.09802	3.9
265.13400	11.2
266.10428	3.4
266.14059	2.3
267.11371	5.6
269.12714	1.6
271.10751	1.5
277.09619	1.1
278.10562	4.2
279.11212	6.2
280.11981	1.4
281.12863	9.5
282.13608	0.9
283.10681	2.0
285.12326	4.7
286.13214	2.0
291.11212	6.0
292.12033	1.1
293.12799	6.0
295.10855	1.4
295.14264	1.7
296.11563	0.9
297.12341	1.7
297.15680	0.9
298.12955	3.8
299.13892	38.9
300.14291	2.5
307.10602	0.9
307.73654	0.8
309.12280	4.5
310.13043	7.0
311.13864	9.0
312.14722	1.8
313.15439	33.9
314.15952	2.2
319.10712	1.1
323.13870	27.1
323.17633	1.4
324.14325	2.9
325.11624	1.7
325.15448	28.0
326.15845	2.1
327.13354	2.5
327.17047	0.8
337.11853	1.0
339.13318	4.1
340.14255	1.9
341.14941	70.0
342.15237	4.4
351.13370	8.2
352.14148	1.7
353.14890	7.5
355.16559	3.7
371.16248	1.7
373.17599	8.3
375.16055	0.8
383.15988	53.6
384.16376	3.5
385.17578	37.5
386.18069	3.3
462.20117	1.1
464.21835	1.0
480.21277	18.7
480.96259	0.8
481.21606	1.2
492.21240	7.5
506.22897	3.7
512.23907	88.3
513.24219	8.1
524.23907	100.0
525.24268	10.7
536.24609	0.9
538.25208	2.5
542.03351	0.8
599.28680	0.8
631.30841	1.4
645.29199	5.8
646.28949	0.9
659.30920	3.7
677.31799	14.1
677.42908	0.6
678.31659	1.4
681.08618	0.9
759.84509	0.9
789.32635	0.8
835.88531	0.7
839.47046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	7.9
70.06607	7.8
71.30108	2.0
72.08160	5.8
79.05510	5.8
81.07063	7.0
82.06584	2.1
84.08144	31.9
84.08612	2.1
91.05506	5.4
93.07059	7.6
94.64429	2.0
95.04925	2.5
95.08621	5.1
96.08117	9.5
97.08891	2.8
105.07069	3.1
107.08649	2.8
110.09681	15.4
111.10466	4.9
112.11256	4.0
119.04998	2.2
121.02879	4.1
124.11299	4.2
128.10728	14.7
131.08586	2.4
138.12804	2.6
152.14359	3.0
162.48904	1.9
189.01851	2.4
207.03015	2.0
236.09489	1.9
254.98734	2.3
262.21643	21.4
262.23752	1.7
280.22729	73.1
281.22818	2.4
283.06076	2.3
294.05399	5.9
295.06055	13.4
298.23788	20.1
307.06107	10.6
309.07709	6.3
321.07755	6.9
325.07144	6.6
333.07751	3.0
337.07144	13.3
349.07132	4.5
351.08859	2.8
361.07278	2.9
365.06506	2.3
367.08173	3.2
379.08063	3.9
391.08267	6.2
403.08661	2.8
409.09570	2.6
523.51947	2.1
616.28253	2.9
754.34546	8.1
808.35706	5.5
819.40704	2.6
826.36584	21.5
827.37067	3.5
844.37482	100.0
845.37415	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	846.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38242	0.6
65.03937	0.8
67.05500	7.2
69.07064	2.9
69.22450	2.3
69.22855	1.3
70.06213	1.1
70.06592	15.9
71.05011	1.2
71.07375	2.2
72.08155	12.8
72.82936	0.6
78.91286	0.6
79.05498	2.7
81.03425	0.9
81.07048	7.3
82.06596	2.0
83.08630	1.9
83.87696	0.6
84.08144	28.4
84.10317	0.6
85.02934	0.7
86.09702	15.0
88.03992	0.6
91.05501	1.6
93.07060	2.1
95.08605	6.0
95.09077	0.6
96.08131	6.3
97.02902	0.8
97.06538	1.0
97.08934	1.0
97.10188	1.1
98.09696	2.5
102.05547	0.8
107.04984	0.9
107.08589	0.9
108.08123	0.8
109.10181	2.6
110.09686	10.1
110.10394	1.0
111.10477	3.9
112.11240	5.1
113.41977	0.7
114.09174	0.6
119.04980	1.8
120.08120	3.1
121.02866	4.6
121.10200	1.0
122.09657	0.7
123.11737	0.7
124.11237	4.7
128.10719	9.8
128.11501	0.8
129.10277	2.4
133.10156	1.1
135.04437	1.0
135.11717	0.8
138.12799	1.0
141.94121	0.7
143.11787	4.1
145.02873	1.7
146.11775	8.5
147.04381	0.7
152.14435	0.8
163.03920	6.8
171.11258	2.8
177.05521	0.8
189.01846	1.6
191.03398	1.1
194.19162	1.8
203.03535	1.2
203.10269	4.4
204.10738	0.8
207.02898	1.3
208.20634	0.6
213.08917	0.6
215.03519	0.8
217.04941	0.8
219.02852	1.1
219.06601	0.6
222.22223	1.1
227.03545	0.7
229.11887	0.9
231.02927	0.7
236.23892	1.2
240.13550	0.7
241.04900	0.6
257.04233	0.6
264.23230	31.2
265.23727	2.1
279.06802	0.7
280.22894	1.1
281.07971	0.7
282.24277	70.9
283.06131	2.1
283.24722	3.2
294.05240	4.5
295.06000	14.3
296.06561	1.5
297.07578	2.2
298.23737	1.4
300.25317	26.3
301.25696	1.0
307.06018	10.2
307.09290	0.8
308.06754	2.0
309.07565	5.4
313.07047	0.8
315.87518	0.6
316.22351	1.7
319.06079	1.9
320.06870	1.9
321.07474	6.1
322.08170	0.8
323.05676	0.9
323.09259	0.9
324.25388	1.4
325.06982	9.4
325.10046	0.8
326.07242	0.6
333.07578	3.0
334.08136	1.3
335.09280	2.4
336.06332	0.8
337.07028	9.8
337.10785	0.8
338.07373	1.0
339.08676	2.5
345.07724	2.3
347.09396	0.9
349.07010	5.9
350.07663	0.8
351.08829	2.0
355.08167	1.3
361.06998	5.1
363.08615	4.4
364.09152	0.7
367.08121	2.8
373.07236	1.9
375.08447	1.2
379.08102	5.3
387.08936	0.9
391.08102	6.9
393.09607	0.8
403.08420	1.0
405.09515	1.4
409.09073	3.0
415.08261	1.0
421.09143	1.2
426.28729	1.9
433.09158	1.1
439.10889	0.8
444.29871	2.0
463.10812	0.9
565.57544	0.7
618.30695	2.7
642.30676	1.3
644.32306	0.8
648.31799	2.2
672.32123	2.4
702.32001	0.7
708.33496	1.3
720.33826	0.9
726.35089	1.0
756.35663	8.5
757.36749	1.7
786.36511	1.5
792.36200	0.8
810.36743	3.4
828.37958	20.2
829.37982	3.1
846.38959	100.0
847.39258	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	847.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.7
64.63818	0.8
65.54683	0.7
65.83310	0.7
67.05508	4.1
69.02522	3.4
69.02949	4.4
69.03432	2.6
69.07082	1.9
73.02934	2.7
79.05512	2.8
81.03428	1.8
81.07062	4.5
83.08626	1.3
85.02897	3.8
88.00945	0.7
91.03975	3.3
91.05497	1.4
93.07034	3.7
93.16257	0.7
95.08640	2.9
97.02915	3.3
99.04470	1.0
101.02393	1.4
105.07054	1.9
107.08648	2.0
109.10215	1.7
116.94059	0.7
117.07099	1.1
119.08603	1.1
121.10175	1.6
127.03935	1.3
133.10187	0.8
159.11667	0.9
177.73357	0.8
243.08504	1.3
272.75607	0.8
342.26254	0.8
351.21649	2.4
357.24423	0.8
407.24081	0.9
434.51865	0.8
519.29431	4.2
569.29114	7.4
847.51709	100.0
848.52148	15.3
853.32239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57549	0.2
69.03429	2.0
69.07066	5.7
70.06594	4.0
71.06904	0.3
71.29257	0.3
72.08154	1.5
75.05601	16.1
75.25079	0.3
79.55811	0.2
81.03425	0.7
82.21635	0.2
83.63650	0.2
84.04498	0.5
84.08139	1.6
85.02895	2.5
86.09702	100.0
87.05587	0.5
87.10030	1.4
89.03940	0.3
91.05466	0.6
97.02869	1.4
98.06100	0.3
98.09684	0.3
99.00824	0.2
99.04459	0.9
102.05513	0.4
103.03937	1.7
109.02901	1.2
110.07115	0.3
114.38383	0.2
119.04944	0.4
119.08555	0.3
120.08102	0.5
127.03902	3.4
128.10677	0.3
129.10211	1.1
132.10199	17.4
133.10579	0.4
135.04387	0.5
136.07619	0.3
137.09624	2.1
139.27036	0.2
143.11787	95.8
144.10307	0.3
144.12152	2.1
145.04968	1.9
147.04391	2.6
149.05948	0.8
163.03897	2.6
163.05949	1.2
169.09695	0.3
171.11278	60.6
172.11668	1.6
185.94452	0.2
187.11148	0.3
189.12350	1.3
205.12207	1.2
223.13240	1.4
229.08661	0.4
239.17538	0.4
241.14407	0.3
245.18597	0.5
261.06207	0.3
263.06812	0.4
281.08109	0.4
284.19693	2.2
289.09280	0.3
302.20712	21.8
303.20966	0.9
307.10193	0.5
405.10068	0.7
535.87158	0.3
848.44824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.2
60.01585	0.8
61.02926	14.0
65.03944	3.4
67.05504	95.4
68.05833	1.7
69.03432	2.5
69.07064	8.5
69.25877	3.5
69.26287	2.7
71.04990	3.8
73.02908	4.3
79.05492	20.2
79.87267	0.8
81.03436	1.3
81.07058	37.3
83.08627	7.9
85.02904	19.1
85.06551	2.6
91.03936	9.6
91.05479	14.6
93.07043	26.8
95.04984	1.7
95.08605	27.9
96.08936	1.0
97.02884	9.5
97.06539	2.3
97.10188	2.6
105.07047	8.3
107.08588	16.7
109.06558	0.9
109.10153	76.3
109.81445	0.8
110.10497	2.1
111.08083	3.4
115.03966	1.4
117.07015	3.4
119.08579	13.2
121.10149	13.1
123.11713	3.9
125.09631	2.0
127.03936	4.6
129.06934	0.8
131.08600	5.9
133.10135	5.1
135.11662	9.1
137.09576	4.2
137.13290	1.0
141.23270	0.8
142.62701	0.8
145.04979	5.2
145.10121	5.4
147.11678	3.8
149.13281	6.7
155.10681	6.3
159.11720	3.2
161.13287	3.6
163.05989	5.4
163.14854	2.8
173.11775	21.8
173.13264	4.7
175.14885	1.0
187.14848	2.3
189.11389	0.9
199.14742	0.9
227.12759	5.5
229.14348	100.0
230.14755	2.7
233.22502	0.9
243.21039	6.4
259.20670	1.3
261.22153	23.6
317.24771	2.9
335.25793	80.4
336.26108	4.8
358.18130	0.9
379.29855	1.2
397.31116	1.8
415.31702	1.6
471.34888	1.4
489.35760	67.0
490.35718	4.8
507.36838	6.6
787.25958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.0
60.78309	0.7
61.02926	15.9
65.03941	3.0
67.05503	100.0
68.05848	1.2
69.03438	4.4
69.07068	7.3
69.49161	4.2
71.04992	3.0
73.02914	5.3
79.05493	20.0
81.03419	1.3
81.07054	39.4
83.08620	8.8
85.02901	20.1
85.06551	2.2
86.09713	1.2
91.03951	11.9
91.05479	13.6
93.07040	25.5
95.04957	1.6
95.08604	25.1
96.04516	0.7
96.08896	1.1
97.02895	8.9
97.06540	1.1
97.10183	2.1
99.04491	1.3
99.08091	0.9
105.07031	7.6
107.08590	17.1
108.96902	0.6
109.02884	1.0
109.06543	1.3
109.10152	81.0
110.10490	1.2
111.08090	3.1
115.03930	1.2
117.07038	3.8
119.08576	11.5
120.08929	0.7
121.10136	12.0
123.11751	3.3
124.99978	1.2
125.09615	1.5
127.03909	3.7
131.08577	5.6
133.10117	5.2
135.11694	6.7
137.09592	3.8
137.13284	0.8
145.04947	4.7
145.10129	4.8
147.11685	3.6
149.13237	5.4
155.10680	5.8
159.11702	3.3
161.13217	3.3
163.06015	6.1
163.14832	3.0
173.10220	1.2
173.11755	23.0
173.13266	3.3
175.14841	1.4
177.16373	0.8
184.07373	3.9
187.14821	1.9
189.11269	0.8
201.16414	0.9
227.12737	5.8
229.14340	99.7
230.14735	3.8
243.21120	5.1
261.22131	18.1
262.22379	1.1
305.56372	0.6
317.24673	3.4
335.25778	58.6
336.26065	3.7
348.37183	0.7
379.29938	1.5
388.50708	0.7
397.31015	1.7
415.31824	1.7
433.33160	1.0
470.18774	0.8
471.34381	1.9
489.35718	44.2
490.36252	4.2
507.36829	5.6
508.37054	1.0
848.50714	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	848.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86789	1.4
65.13416	1.3
69.07088	4.3
70.89919	1.4
71.08633	23.7
73.06557	10.8
73.06914	1.8
83.08627	3.4
85.10189	15.5
87.04475	14.9
89.06035	100.0
92.80558	1.3
97.10157	3.5
98.22562	3.4
98.51932	1.6
99.11724	2.3
107.07112	2.8
117.09144	7.3
125.13268	1.6
130.08633	3.1
131.07080	2.1
133.08615	48.6
135.10086	1.6
144.56578	1.5
161.11755	2.8
175.09720	1.6
177.11220	18.6
197.22702	2.8
206.14793	1.3
221.13908	3.0
225.88734	1.5
240.97914	1.4
241.25256	1.8
285.27869	4.7
291.07147	1.6
329.30463	2.8
416.61981	1.5
848.48877	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	850.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96101	0.9
66.83095	0.9
67.05495	2.7
69.03434	12.4
69.07051	0.9
70.09637	0.8
71.04978	1.2
71.08633	65.3
71.30844	1.0
73.23923	0.9
79.05502	1.3
81.03442	7.2
81.07062	4.5
83.08644	1.6
85.02904	2.4
91.05461	2.0
93.07053	2.0
95.08589	5.0
97.02882	9.4
98.23102	1.0
99.04442	2.7
99.08096	100.0
100.08437	1.1
105.07051	2.7
107.08600	3.5
109.02886	11.1
109.10152	4.5
119.08577	1.4
121.10154	3.3
123.11713	1.2
127.03918	25.8
133.10114	2.1
135.11717	2.0
137.13246	1.4
138.31001	1.0
145.05002	2.1
145.10098	1.0
149.13281	2.2
163.14844	1.5
166.19640	1.1
173.72261	0.9
175.14726	1.3
177.16302	1.1
183.10191	3.4
184.07285	2.6
189.16426	1.0
198.18614	1.7
225.11269	6.0
243.12265	12.2
326.29028	0.9
341.19601	22.1
359.20752	4.9
457.27838	1.7
850.52106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.0
65.03925	1.4
67.05507	1.3
69.03426	7.1
70.06594	20.6
71.05006	1.1
71.06909	0.8
71.30103	1.1
72.08153	9.9
79.05479	1.5
80.05003	1.3
81.03411	3.1
81.07080	1.0
82.06583	1.1
84.04491	2.1
84.08139	3.7
85.02898	8.2
86.09703	6.9
87.04462	1.4
91.05474	2.7
93.05793	1.8
93.07076	4.6
94.06562	6.5
95.07374	2.1
95.08633	1.1
96.08119	7.4
97.02906	4.3
98.06064	1.1
99.04487	1.5
101.20947	0.9
103.03957	1.2
103.05511	1.5
106.06503	1.4
107.07330	1.1
108.04556	0.9
108.08112	14.4
109.02881	2.2
110.07168	1.4
110.09678	11.5
120.04498	1.4
120.08098	15.4
122.06030	18.0
122.09673	3.6
123.06836	1.1
123.08150	1.0
124.07605	4.3
127.03904	3.2
127.08759	1.3
129.10268	2.2
134.06007	1.3
136.07579	21.8
137.05942	1.0
137.07886	0.9
138.09129	16.3
144.04414	1.0
146.06020	1.6
148.07573	7.4
150.09155	5.1
150.66983	0.8
152.07071	5.7
155.08163	1.0
159.09241	1.5
161.22993	0.9
163.04025	1.0
164.07028	2.6
166.08633	22.4
172.03957	4.5
174.09209	1.0
183.14981	1.6
190.04982	1.5
194.08194	5.7
204.06551	8.9
205.07021	1.0
206.08345	1.0
208.10155	1.2
209.10771	1.7
211.08655	1.1
211.14348	1.8
212.09190	5.1
221.10814	2.0
223.08696	1.0
223.12329	1.0
224.09381	1.4
225.10210	3.0
227.11885	1.8
234.07877	1.0
235.08662	3.8
236.09354	4.2
237.10187	19.5
238.10938	2.1
239.11795	3.2
241.09731	1.4
241.13504	1.0
247.08598	1.5
248.09479	2.0
249.10220	25.6
250.07434	1.0
250.10921	6.6
251.08246	2.8
251.11815	8.5
252.08804	1.3
252.12404	1.5
253.09695	5.2
254.10419	1.1
255.11252	1.9
261.10260	3.5
263.08237	2.8
263.11810	3.2
264.08978	8.9
265.09729	16.6
265.12723	1.7
266.10400	2.8
267.11215	7.7
268.11765	1.4
269.09320	2.0
271.10730	0.9
275.59451	0.9
276.09073	1.6
277.09708	24.8
278.10397	9.7
279.08032	1.9
279.11249	18.7
280.11929	3.3
281.09186	6.4
281.12305	1.5
282.10095	2.1
283.10724	2.6
285.12430	1.8
289.09708	2.6
291.07913	2.2
291.11240	4.2
292.08319	4.0
292.12177	3.1
293.09201	27.3
293.12775	8.6
294.09708	3.8
295.10791	6.5
296.11581	1.1
297.12363	2.9
299.10199	1.4
301.12067	1.7
303.13519	1.4
304.08304	1.2
305.09094	10.8
306.09918	3.6
307.10760	14.2
308.11252	1.8
309.08707	4.0
309.12326	11.6
310.13229	1.2
311.10202	4.2
311.13834	2.3
312.11050	2.5
313.11682	4.1
314.12967	1.2
319.10739	3.5
321.08694	2.1
321.12292	1.5
323.10226	11.5
324.11026	2.6
325.11789	8.8
326.12491	2.0
327.13437	3.3
328.14325	2.0
333.08716	8.4
335.10251	2.2
337.11758	5.5
338.12512	1.4
339.09909	1.7
339.13483	14.2
340.14044	2.7
341.11417	1.8
341.15262	2.0
342.12256	1.9
342.15985	2.1
343.12888	2.1
344.13681	1.2
351.09747	34.0
351.13345	1.2
352.10291	2.5
353.11331	3.3
353.15057	2.5
354.12164	3.0
355.12823	6.0
356.13736	4.6
357.14334	4.3
358.15414	1.5
365.11386	3.2
366.11996	8.8
366.15921	1.7
367.12915	4.6
368.14053	4.3
369.14618	2.8
370.11606	2.1
370.15454	3.5
371.12296	9.1
371.16205	1.3
372.13135	2.7
372.17270	2.1
374.14844	1.2
379.13235	1.7
382.11450	1.8
382.15543	2.5
383.12366	18.0
383.16708	1.7
384.12903	4.0
384.17233	2.9
384.31247	1.1
385.13693	6.3
386.14743	3.3
386.18933	1.2
387.15442	1.6
388.16629	1.5
396.13260	2.5
397.14026	10.6
398.14804	4.4
399.15436	5.0
400.16391	3.8
401.17365	1.6
402.18207	2.8
410.15039	2.3
412.16440	3.0
413.13141	1.2
416.15964	2.9
416.20578	1.2
418.17734	4.2
419.17859	1.0
426.14832	1.0
428.16254	4.8
430.17896	5.0
432.14627	1.4
438.14398	3.9
440.16183	1.7
444.15073	3.9
444.19434	4.5
446.17068	12.5
447.17053	1.6
456.15543	24.2
457.15732	3.1
458.16986	2.9
459.17355	1.4
462.20892	4.1
464.18207	1.9
470.16666	1.0
472.18573	1.1
474.16525	22.4
475.16501	2.5
476.17966	11.2
477.18832	2.1
478.19864	2.8
486.16476	4.4
488.18277	2.1
490.19565	3.6
494.19141	21.4
495.19617	3.5
504.17218	1.5
506.19135	10.5
507.19962	1.4
508.20929	1.7
518.19269	16.7
519.20007	4.5
520.21112	1.0
536.20251	18.6
537.20740	2.7
550.21753	9.9
551.22327	3.1
608.22180	1.0
609.23553	8.2
613.25909	1.1
627.24414	18.3
628.24609	3.3
629.26575	1.0
640.24945	1.8
641.26270	15.3
641.36340	1.7
642.25824	2.4
648.22131	2.2
659.27069	100.0
660.27466	14.9
662.23267	2.0
673.25024	1.2
680.13531	2.0
680.24518	31.3
681.24945	11.2
682.25281	1.5
712.27179	5.0
713.27856	35.1
714.28357	8.3
771.27386	1.3
789.29370	3.6
821.32129	14.4
822.32849	2.1
853.43213	4.8
854.46472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.3
67.05499	6.0
69.03432	4.3
69.21091	3.1
69.21498	0.9
71.05003	1.3
73.02912	5.8
78.32997	0.6
79.05493	2.0
81.03411	1.8
81.07062	3.1
83.04975	0.5
83.08639	0.8
85.02896	8.8
87.04503	0.7
91.03950	4.4
91.05495	1.4
93.07050	1.8
95.08620	2.3
97.02888	7.0
99.04481	1.6
101.02404	1.9
103.03928	0.7
105.07037	0.8
107.08600	0.9
109.02901	1.1
109.10148	6.2
119.08575	0.9
121.10157	0.9
121.34097	0.5
125.96082	0.5
127.03934	1.9
135.11650	0.6
148.05501	0.5
173.11806	1.7
180.38350	0.5
184.07375	0.7
185.04211	1.0
195.10068	0.6
201.03795	0.5
203.05276	1.6
229.14349	1.0
243.08458	2.2
298.85831	0.6
347.09473	4.1
363.08881	0.9
365.10510	1.1
405.13550	8.4
413.17813	6.6
428.70496	0.5
519.29236	3.6
529.39661	0.6
575.23083	12.7
576.23694	0.8
637.05969	0.5
681.34381	5.8
682.34900	1.0
691.40570	1.5
853.45435	100.0
854.45776	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.9
67.05501	6.0
67.05835	0.5
69.03427	5.7
69.07071	0.7
69.40543	1.1
69.40958	1.0
71.01345	0.8
71.04995	0.7
73.02913	6.0
73.59946	0.4
79.05496	2.8
81.03413	2.1
81.07052	2.6
83.05009	0.4
83.08630	0.3
85.02905	8.8
86.60547	0.3
87.04477	0.5
91.03954	5.3
91.05492	1.4
91.31440	0.3
93.07047	2.8
95.04998	0.4
95.08601	2.2
97.02891	7.4
99.04482	1.0
101.02374	2.8
105.07025	0.7
107.08616	1.1
109.02901	1.4
109.10144	3.6
115.03938	0.7
119.08624	1.0
121.10172	0.9
123.11733	0.4
127.03927	2.3
135.11713	0.7
137.66115	0.3
139.73578	0.3
145.05070	0.5
145.10159	0.4
147.11839	0.4
173.11818	0.6
173.13205	0.5
185.04257	1.2
195.10071	0.5
201.03836	0.3
201.74396	0.3
203.05310	1.0
229.14374	0.9
235.65054	0.4
243.08307	1.9
335.26004	0.9
347.09421	4.3
363.09076	0.7
365.10379	1.8
405.13657	8.6
406.14127	0.8
413.17850	4.7
519.29095	4.6
575.23083	5.8
681.34509	10.0
682.34509	0.9
691.40308	1.4
853.45441	100.0
854.45862	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	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	86.2
67.05506	60.8
69.03430	10.5
69.07072	12.3
71.05003	3.0
71.08619	1.1
73.02920	30.3
79.05495	37.8
81.03427	4.7
81.07059	73.3
82.07381	3.0
83.04984	2.1
83.08607	9.1
85.02907	100.0
85.06532	1.6
87.04456	1.9
89.87801	1.2
91.03955	82.9
91.05482	19.4
92.04300	1.6
93.07048	46.3
95.04969	2.1
95.08612	56.5
96.08939	2.2
97.02893	50.2
97.06552	3.0
97.10168	2.5
98.03175	1.5
98.23426	3.0
99.04451	5.3
99.08087	2.8
103.03983	2.8
105.07046	14.1
107.08594	29.3
109.02899	4.4
109.06505	1.2
109.10155	28.9
109.42456	1.4
111.08086	3.6
115.03931	5.0
117.05554	1.3
117.07016	8.0
118.35242	1.4
119.08573	14.0
121.10148	30.9
123.11703	16.4
127.03915	33.7
131.08563	15.1
133.10129	13.4
135.11696	25.9
137.13271	6.9
138.47260	1.2
145.04961	48.0
145.06117	2.4
145.10100	13.3
147.11749	9.4
147.40224	1.3
149.13248	20.0
151.14815	1.4
153.12733	1.6
159.11694	13.8
161.13263	11.6
163.06015	87.2
163.11116	1.3
163.14818	12.0
164.06320	1.4
165.12816	2.6
173.13260	13.4
175.14853	4.4
177.16409	7.0
179.14398	2.5
187.14812	9.5
191.14410	1.6
201.16417	3.4
205.15907	2.3
215.17857	1.8
219.17511	2.0
229.78882	1.3
233.22626	2.9
243.21072	31.5
244.21378	2.5
254.41026	1.5
261.22150	92.6
262.22485	5.9
263.23801	2.6
279.23175	5.3
325.11353	3.7
335.25815	31.9
336.26248	1.9
353.26834	60.9
354.26993	2.5
436.19757	1.4
497.31195	5.6
686.93591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	82.5
65.03945	2.5
67.05507	57.6
68.05822	1.0
69.03434	9.4
69.07068	9.3
70.06607	1.6
71.04995	4.1
71.30521	1.4
73.02915	32.5
79.05492	39.4
79.92096	0.9
80.05817	1.2
81.03421	3.9
81.07059	63.5
82.07369	1.4
83.04985	1.2
83.08617	7.4
85.02905	99.8
85.06548	2.3
85.44934	0.9
86.03250	1.5
86.09726	0.9
87.04478	1.5
87.36931	0.9
87.80485	0.8
91.03956	80.6
91.05481	23.7
92.05780	1.1
93.07041	52.4
95.04975	2.9
95.08607	51.2
95.37659	1.0
97.02891	52.3
97.06550	3.9
97.10169	3.3
99.04447	6.7
99.08105	2.0
101.02415	2.0
103.03947	2.7
105.07037	17.6
107.08596	31.6
109.02877	3.9
109.10160	28.0
109.10913	1.3
110.10481	1.1
110.44368	1.0
113.09621	1.4
115.03934	6.2
117.05539	1.4
117.07006	8.6
119.08584	13.1
121.10147	31.4
122.10519	1.3
123.08071	1.2
123.11709	15.4
127.03914	35.7
127.11205	1.1
131.08565	17.2
133.10132	14.5
135.04536	0.9
135.11690	28.0
137.09630	1.2
137.13246	5.3
139.11145	1.3
140.24947	0.9
145.04959	51.8
145.10118	14.6
147.11674	9.5
149.13261	21.3
151.11223	1.4
151.14821	2.3
153.12772	2.2
159.11710	12.5
161.13266	10.9
163.06020	96.5
163.14830	17.7
164.06424	1.8
165.12823	1.6
173.13271	14.8
175.14896	2.7
177.12683	1.2
177.16377	6.2
179.14316	2.9
187.14809	7.4
187.68266	0.9
191.14409	1.2
201.16389	4.0
205.15918	1.7
217.14244	1.0
219.17375	1.2
233.19052	1.0
233.22780	2.2
243.21100	32.9
244.21608	1.9
248.03209	1.0
261.22137	100.0
262.22498	5.5
263.23654	2.5
279.23245	2.0
289.09103	1.0
317.24561	1.0
325.11230	3.5
335.25784	18.3
336.26144	1.2
353.26855	64.0
354.27124	4.4
497.30878	1.6
516.13031	1.0
795.55566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20982	0.4
68.05032	0.5
69.55502	0.7
69.55899	1.4
70.06593	87.7
71.06915	1.1
72.08167	0.8
74.06062	3.0
82.06593	0.5
83.06114	0.6
84.04507	5.5
84.08144	33.3
85.02898	0.6
85.08479	0.8
86.09693	0.8
88.82130	0.4
98.06030	0.5
98.22681	0.8
101.07143	1.4
101.10807	0.9
102.05549	1.5
105.28386	0.4
110.06023	0.4
110.07139	0.5
111.09207	0.7
112.07605	100.0
113.07233	0.4
113.07957	1.6
115.08694	0.6
115.30663	0.4
116.07154	0.6
122.06066	0.5
129.10243	32.5
130.05014	0.6
130.10609	0.5
130.87198	0.4
133.38812	0.4
134.08113	0.7
136.07571	0.9
138.39954	0.4
139.08633	0.5
140.07065	69.9
141.07437	1.7
141.36623	0.4
144.06577	0.7
155.08093	0.5
155.11830	0.6
157.09724	19.3
167.08189	0.9
167.11855	0.8
168.02812	0.5
169.09756	0.5
177.05606	0.6
185.09273	1.0
186.12163	0.4
191.08125	0.6
195.07809	0.8
203.10315	1.9
212.13919	2.3
213.08867	1.3
226.32339	0.4
230.14969	6.0
230.17053	0.5
231.09790	1.7
240.13486	3.5
244.16754	0.7
245.15002	0.6
262.17633	2.9
268.12933	15.4
269.13251	0.5
306.14404	0.4
323.17261	1.7
325.15134	1.4
332.14532	2.2
334.14081	1.3
341.18228	1.3
345.21454	1.2
351.16641	11.2
352.16937	0.9
359.19083	0.6
363.22363	4.1
369.17654	6.1
414.42618	0.4
452.21887	0.6
460.24185	0.6
474.26239	0.8
480.20926	12.1
481.21359	0.7
492.26880	1.3
498.21866	5.0
499.22348	0.5
555.23566	0.5
563.24353	1.0
581.25458	2.2
593.31567	1.7
599.26642	5.3
646.18500	0.5
709.35236	1.9
842.42523	3.9
843.41858	0.9
860.43567	37.9
861.43829	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	861.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69128	0.3
68.36710	0.3
69.89520	1.3
140.07114	0.3
185.04245	0.6
203.05280	1.6
245.06383	0.7
259.08044	0.8
275.07404	0.9
281.44415	0.4
301.20111	0.4
305.08502	1.3
329.08627	0.5
340.77460	0.4
347.09503	5.9
365.10583	6.4
366.10675	0.4
407.11685	3.4
421.13031	2.2
437.12851	1.2
449.12872	0.5
451.14508	0.7
463.89923	0.4
467.13571	2.2
509.14777	3.8
527.15881	5.6
528.16211	0.4
534.88385	0.3
537.30377	4.1
583.18390	2.7
584.19226	0.4
675.35431	0.4
699.35675	7.2
700.35803	1.0
727.32428	0.5
861.40839	100.0
862.41168	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	861.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72618	0.2
62.63591	0.3
69.91202	0.3
70.22167	0.7
85.60394	0.3
93.96217	0.3
167.52763	0.3
185.04282	0.6
203.05244	1.4
245.06451	0.7
259.07834	0.4
268.35428	0.3
275.07401	0.4
287.07480	0.4
289.08984	0.6
305.08524	0.8
329.08661	0.4
334.24725	0.3
347.09482	5.3
347.13306	0.3
365.10458	3.6
365.14468	0.3
366.11102	0.4
407.11676	1.1
421.13315	0.8
437.12549	0.5
449.12671	0.5
451.14395	1.0
467.13815	0.3
491.13605	0.4
509.14764	3.4
527.16101	0.5
537.30298	5.7
538.30823	0.5
583.18372	0.8
699.35602	11.0
700.35889	1.5
742.82489	0.3
769.27234	0.5
861.40796	100.0
862.41199	13.8
862.58215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10712	1.4
67.05513	1.9
69.07076	3.4
69.39538	6.7
71.08631	23.3
73.02920	1.4
73.06563	10.9
83.08636	4.5
85.10189	18.0
87.04483	12.5
89.06032	100.0
97.10173	6.5
111.11735	4.1
117.09146	10.2
125.13326	1.7
130.08685	2.1
131.07062	4.0
133.08603	53.2
134.08975	1.7
141.16469	1.5
161.11722	2.7
175.09605	2.5
175.96468	1.5
177.11223	20.2
185.57672	1.4
211.24181	2.1
221.13818	2.2
255.26804	1.7
299.29434	5.3
343.31979	2.2
420.10245	1.8
465.60587	1.7
513.01697	1.7
596.10162	1.7
635.29224	1.5
675.38385	1.7
772.98523	1.4
862.50244	2.0
872.63977	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	864.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.3
69.03430	9.9
69.13386	6.4
70.06596	3.0
71.04981	0.7
73.02914	1.5
81.03430	3.6
84.08143	2.2
85.02906	30.7
86.09757	0.8
89.03917	2.5
91.03987	1.3
97.02888	11.5
99.00832	3.2
99.04461	1.7
107.04954	4.5
109.02868	6.2
117.01817	0.9
117.03384	2.9
123.04438	5.5
127.03928	11.5
129.10275	1.0
135.04422	18.5
136.05215	1.0
137.02332	0.9
139.03944	1.6
143.04810	0.9
145.02867	9.2
145.04941	14.0
153.07010	2.2
161.06013	2.4
162.07597	0.9
163.03908	100.0
163.05869	7.6
164.04292	3.5
165.05429	2.1
179.95010	0.8
181.04971	44.8
181.06480	3.4
182.05296	1.5
184.12282	0.7
198.50591	0.8
199.07599	2.0
205.04897	1.0
205.06589	2.1
223.07620	3.4
227.06995	2.5
233.06038	2.8
243.04895	1.0
245.08087	15.9
251.07114	7.1
261.06067	5.9
269.08032	7.0
279.06500	16.1
297.07559	17.2
298.07843	1.2
307.05975	5.2
325.06909	17.6
325.10693	0.9
343.08072	12.8
344.08612	1.4
359.61093	0.9
361.09128	2.4
473.54367	0.9
487.12601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	2.4
70.06605	3.2
70.48122	1.9
72.08139	0.8
84.08163	1.5
100.56998	0.8
111.00828	0.9
119.05001	1.0
123.04441	11.2
127.03916	5.1
135.04428	3.8
137.02325	9.6
139.03908	7.7
143.04971	1.3
147.04446	3.1
149.02402	4.7
149.54332	0.9
151.03914	1.7
153.01849	2.7
155.03375	1.1
159.04385	1.0
161.06044	1.0
163.03938	6.7
165.05482	1.0
167.03458	1.1
175.03926	2.5
177.05493	1.4
179.03331	1.3
185.06056	1.9
187.03946	2.1
189.05486	1.9
191.03427	2.4
197.06013	1.0
201.05457	1.5
203.03423	4.4
213.05510	3.2
217.04953	1.2
225.05527	1.0
227.03506	0.8
227.07056	0.8
229.04982	3.3
231.06560	4.3
233.04634	0.9
241.05005	2.6
245.04492	4.0
247.06082	6.8
257.04459	16.2
258.05209	1.7
259.06018	8.5
269.04523	2.9
271.06067	3.4
275.05530	1.5
276.57645	0.9
281.04495	1.1
283.06070	4.4
287.05502	100.0
288.05823	5.7
288.81192	0.8
289.07260	2.0
301.07211	4.8
303.08649	1.1
311.05405	1.1
315.14517	0.9
327.36166	0.9
391.08197	1.3
395.07721	2.7
407.07718	2.7
409.09204	9.9
411.10764	5.5
413.08878	4.2
427.10049	1.0
431.07724	1.8
435.07214	1.0
449.08673	1.2
533.10834	13.1
534.10950	1.2
541.22546	1.4
543.09088	7.3
544.09570	1.1
557.10553	1.5
561.10168	2.1
569.10291	1.7
573.09888	1.9
695.14044	9.4
713.15137	6.0
714.17096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56000	0.6
67.05494	0.9
69.04911	6.2
69.07121	0.7
81.07059	1.3
95.08626	0.7
97.50954	0.7
98.98479	0.9
109.20039	0.6
130.62671	0.5
155.01085	0.9
327.52570	0.7
337.27411	3.1
338.34137	0.6
360.82434	0.6
591.19580	0.7
611.08130	0.6
649.25067	0.8
697.32599	1.7
792.89264	0.7
830.66333	0.8
867.52264	0.9
869.42908	100.0
870.43091	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.429
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95149	0.3
65.95986	0.3
67.05509	1.7
69.07063	0.7
69.08993	3.3
81.07062	1.6
91.05493	0.7
93.07050	0.9
94.85593	0.4
95.08626	1.4
98.98489	1.2
109.10121	0.4
112.07646	0.6
113.05994	0.5
118.06020	0.4
128.14307	0.4
155.01042	0.6
167.10707	0.4
181.48198	0.4
203.17830	0.4
215.11147	0.4
229.39961	0.4
248.09979	0.4
263.23657	1.0
321.61255	0.5
337.27280	4.0
338.27789	0.5
509.91626	0.4
591.20502	1.3
671.82843	0.4
869.42889	100.0
870.43329	13.6
870.56604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	12.8
62.73170	1.0
65.03928	2.1
67.05508	100.0
68.05843	2.2
68.26818	1.1
69.03436	3.8
69.07067	7.6
70.90006	1.2
71.05000	2.1
73.02925	4.1
76.97553	1.0
79.05497	24.0
81.07061	40.8
83.08627	8.2
85.02915	14.4
85.06563	3.7
88.90973	1.1
91.03962	10.9
91.05490	14.1
93.07050	30.7
95.04968	1.8
95.08617	31.6
97.02904	8.0
97.06534	1.3
97.10165	2.8
102.05544	3.0
105.07034	6.0
107.08605	16.6
109.10159	92.2
110.10489	2.1
111.08116	1.8
117.07046	3.2
119.08595	11.8
121.10140	14.6
122.09737	1.1
123.11731	3.8
127.03938	5.0
127.11220	2.3
131.08574	7.0
133.10146	7.7
135.11703	7.0
137.09622	2.4
137.13266	1.6
145.04979	4.3
145.10167	4.2
147.11700	3.1
149.02310	1.5
149.13264	5.1
155.10689	3.5
159.11690	4.1
161.13232	3.5
163.06058	5.3
163.14838	2.6
173.11783	22.3
173.13289	4.8
187.14760	1.3
200.12842	17.7
206.42368	1.0
216.41257	1.1
227.12961	1.8
229.14375	17.7
233.22815	1.6
243.21046	6.3
249.06664	1.2
256.15454	85.2
257.15802	2.9
261.22137	23.7
262.22470	2.0
288.23386	1.4
290.08173	1.1
317.24744	4.5
335.25809	97.9
336.26102	6.1
418.07996	1.3
429.13309	1.1
442.32672	1.7
451.96405	1.2
489.35767	15.7
507.36609	2.6
516.36841	38.2
517.37244	2.6
534.37891	28.7
535.38269	2.8
536.14929	1.3
875.46588	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	875.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02618	1.1
61.02929	16.4
65.03943	2.2
67.05506	100.0
68.05847	1.1
69.03434	3.2
69.07072	7.1
70.37935	1.0
71.05016	2.3
73.02920	5.1
75.86867	0.9
79.05489	20.9
80.05862	1.0
81.03452	1.1
81.07057	32.7
83.08617	6.6
84.04516	1.3
85.02905	19.0
85.03374	1.6
85.06548	3.2
86.09724	0.9
91.03970	10.7
91.05482	13.5
93.07043	24.0
95.04996	1.2
95.08613	24.3
97.02895	9.4
97.06571	1.3
97.10168	1.2
98.23470	1.8
99.04459	2.2
102.05539	1.5
104.87312	1.0
105.07029	6.5
107.08586	14.7
109.10159	91.6
110.10483	1.5
111.08102	3.7
117.07044	3.7
117.37747	0.9
119.08577	10.9
121.10149	10.2
123.08058	1.6
123.11755	3.7
125.09618	1.4
127.03954	4.1
127.11217	1.7
131.08563	5.3
133.10164	4.3
135.11674	8.3
137.09641	2.9
145.04991	5.0
145.10135	3.8
147.11731	2.7
149.13290	3.7
155.10638	2.3
159.11729	3.2
161.13277	3.2
163.05980	6.3
163.14839	2.4
168.27255	0.9
173.11757	21.9
173.13226	2.2
175.14722	0.9
177.16435	1.7
178.57263	0.9
187.14932	2.1
200.12814	21.5
227.12814	1.8
229.14334	21.5
229.16444	1.8
233.22745	1.4
236.63280	1.0
243.21095	5.7
256.15442	92.1
257.15842	2.9
261.22125	18.0
262.22681	1.2
297.15256	1.1
317.24664	3.8
335.25797	76.2
336.25955	4.7
340.38931	0.9
356.40176	1.1
369.70557	1.0
404.55276	1.1
442.33142	1.4
489.35739	11.0
490.35782	1.1
507.36670	2.2
516.36877	19.0
516.44489	1.3
517.37250	1.2
534.37933	30.7
535.38513	2.2
895.44989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.4
69.07069	7.9
70.06592	90.5
70.82291	0.5
70.82629	0.8
71.06918	1.1
72.08163	1.6
74.06081	3.7
77.27256	0.4
82.06609	0.4
84.04508	1.5
84.08141	52.4
85.02888	0.6
85.08476	0.8
86.09703	100.0
87.05591	1.1
87.10042	2.3
91.05466	0.4
93.07044	0.4
98.06055	0.5
100.07556	0.4
101.07137	2.4
101.10152	0.3
101.10751	2.1
102.05598	0.6
109.56764	0.4
111.09199	0.7
112.03926	1.7
112.07635	0.6
112.11270	0.6
115.08700	5.7
116.07061	0.6
119.04900	0.5
120.08118	1.0
126.09149	2.4
127.03941	0.6
127.08709	0.8
128.10715	1.1
129.10237	53.5
130.08676	1.1
130.10587	1.1
132.10211	1.6
136.07599	1.4
141.10239	1.0
142.12260	0.8
143.08125	3.9
143.11864	0.7
147.11288	2.2
153.10260	1.5
154.08688	0.4
155.08148	2.8
157.13368	4.7
167.11823	0.5
169.09772	1.4
169.13419	0.8
171.11285	17.0
172.11743	0.6
173.12851	6.3
174.13315	0.4
181.09711	28.2
182.10146	0.6
183.14986	1.4
185.12842	4.4
185.16499	0.7
187.14418	5.8
197.12891	1.3
197.16652	0.6
198.12373	0.5
199.10780	14.6
199.18080	0.6
200.11217	0.6
201.12334	6.6
211.14445	2.8
213.16040	0.8
215.13867	3.2
216.13489	1.4
235.18556	0.3
238.15793	0.4
240.13487	0.8
242.18626	3.9
245.18622	0.9
246.18713	0.4
252.13487	0.8
256.16608	3.5
260.19836	0.6
264.17346	0.4
265.15533	0.7
266.18784	0.8
268.16638	1.0
270.14417	0.7
283.17328	0.4
284.19632	2.3
293.15045	1.4
294.18127	7.9
310.17584	7.9
312.19135	6.4
316.22443	1.2
320.16431	0.5
323.17303	0.6
324.22711	0.4
325.22388	0.7
326.22772	0.4
332.21936	1.4
341.18246	0.6
341.25754	0.6
346.23444	1.0
353.22028	1.0
365.22012	0.7
369.25150	1.4
383.23038	0.9
406.73529	0.4
408.26108	0.5
423.25903	2.0
436.25488	6.4
440.28674	9.8
441.29150	0.8
454.26657	5.4
455.26895	0.5
458.29779	0.5
483.98630	0.4
506.29446	0.5
521.34570	0.8
534.29395	0.7
539.35638	2.2
549.33972	7.8
549.42017	0.5
550.34064	0.8
553.37189	0.4
567.35028	6.6
567.43628	0.5
568.35284	0.5
587.10706	0.4
603.34955	1.3
621.36047	25.1
622.36505	2.4
695.44586	0.8
734.44440	1.8
858.50940	1.2
876.51886	48.6
877.36316	0.8
877.52222	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	877.3816
Annotation	Konbamide
Peak:m/z	Relative Intensity
62.87661	0.3
68.20301	0.3
69.31064	1.7
75.57654	0.3
98.97575	2.9
110.97602	0.5
112.99126	0.6
116.98613	1.4
128.98615	0.5
131.00237	1.2
143.00191	1.1
149.01218	2.9
158.99623	2.0
161.01195	0.8
167.02336	0.9
170.99716	1.2
172.02786	0.3
173.01260	0.5
177.00642	2.1
185.01266	0.6
189.00735	1.4
191.02322	0.7
195.01810	0.4
203.02377	0.3
217.03949	0.6
219.01863	1.1
233.03459	0.4
237.02992	1.0
258.64160	0.4
261.02936	1.1
279.03864	2.6
291.04068	0.7
293.05576	1.4
309.05176	0.4
311.06577	0.7
317.18109	0.5
321.05112	0.9
335.19101	0.4
385.64154	0.3
390.05728	0.3
423.08286	1.1
455.10620	1.6
599.15289	1.1
617.15961	5.5
877.38159	100.0
878.38507	18.2
878.55951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02884	1.0
65.03912	2.4
65.04203	0.6
67.05470	1.2
68.04993	0.9
69.03098	0.5
69.03431	8.0
69.07035	1.8
70.06594	11.2
71.30023	0.7
72.08166	4.2
73.02877	1.7
74.06054	0.6
75.83932	0.5
77.03908	1.1
79.05468	1.4
81.03432	4.4
81.05750	0.6
81.07041	1.0
82.06543	1.7
83.07349	1.2
84.04480	1.3
84.08151	3.2
85.02909	8.1
86.09711	3.5
87.04462	0.8
89.03891	1.1
89.98134	0.5
91.05483	26.7
92.05778	0.8
93.07017	1.5
94.06538	1.9
95.04972	1.1
96.08140	3.4
97.02884	4.1
99.04398	1.1
101.02379	0.6
105.07015	0.7
107.08550	1.0
108.08105	2.0
109.02875	3.4
109.08916	0.8
110.07156	1.0
110.09644	1.8
112.07564	2.3
119.04945	39.4
120.08128	2.8
122.09677	3.7
123.04429	6.6
124.11169	0.8
127.03893	2.5
127.09940	5.7
129.10196	0.7
132.02083	1.1
133.02834	1.6
135.04410	1.0
136.07567	1.6
140.10696	5.1
141.70010	0.5
145.02802	1.6
147.04410	36.7
148.04733	1.0
149.02296	1.1
157.03937	4.0
162.08995	0.6
163.03912	1.1
164.04755	0.7
167.07114	0.7
175.03906	79.6
176.04282	2.6
177.05434	1.0
179.07010	2.4
182.15430	0.8
192.04146	0.9
206.19080	2.0
207.06523	92.1
208.06813	2.6
224.19962	3.1
314.21265	0.8
328.22672	1.3
330.24258	14.3
331.24802	0.9
347.24728	0.7
348.25320	42.3
349.25708	2.5
351.10812	2.0
369.67944	0.6
390.26315	0.7
510.30429	1.1
672.36127	1.6
716.36560	9.6
717.36987	1.0
878.41669	100.0
879.26361	1.0
879.42169	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.9
66.72450	0.3
67.05506	5.9
69.03434	3.6
69.07050	0.5
71.01348	0.5
71.05012	0.7
71.30657	0.4
73.02919	3.6
79.05517	1.3
81.03441	1.5
81.07056	2.6
83.08637	0.6
85.02912	5.5
87.04496	0.4
91.03952	3.3
91.05499	0.9
93.07043	1.7
95.08636	1.1
97.02887	5.8
99.04481	1.1
101.02373	2.3
102.09200	0.5
103.03970	0.5
105.07074	0.7
107.08627	0.5
109.02900	1.0
109.10155	5.3
115.03963	0.9
119.08610	0.7
121.10181	0.7
127.03880	2.2
149.02409	1.6
155.10661	0.4
173.11794	0.7
173.13135	0.4
185.04327	1.2
185.84267	0.3
193.05084	0.6
194.05244	0.4
200.12888	1.1
203.05344	1.3
243.08450	1.1
256.15399	0.4
259.08081	0.4
278.13779	0.4
284.29712	0.5
285.29968	0.7
347.09485	3.7
363.09167	1.0
365.10727	1.1
405.13608	7.0
413.17801	2.5
430.12894	0.4
440.18784	2.4
519.29144	1.9
575.23218	4.2
587.70422	0.4
602.24286	7.2
603.24365	0.5
681.34601	5.3
682.35083	0.8
691.40845	0.5
718.41394	1.0
853.45215	0.6
880.46539	100.0
881.46899	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.3
61.22171	0.2
61.33598	0.3
63.13357	0.3
65.03964	0.3
67.05508	5.0
69.03433	3.3
69.07076	0.6
69.41822	1.0
69.42230	0.6
71.01357	0.5
71.05000	0.6
73.02918	4.1
79.05505	2.1
81.03416	1.6
81.07063	2.1
83.08622	0.5
84.86520	0.2
85.02908	6.6
86.70203	0.2
87.04477	0.6
91.03956	3.8
91.05477	1.2
93.07036	2.1
95.04986	0.3
95.08610	2.0
97.02892	5.8
99.04456	0.9
101.02374	2.4
105.07052	0.6
105.75432	0.3
107.08617	1.0
109.02906	1.0
109.10156	3.1
115.03951	0.5
119.08595	0.6
121.10152	0.8
127.03910	1.7
131.08640	0.3
133.10162	0.5
135.11742	0.4
145.04987	0.3
173.11772	0.5
185.04138	0.6
200.12889	0.4
203.05347	0.9
215.12064	0.3
222.11066	0.4
234.99611	0.3
243.08475	0.9
300.34079	0.3
305.08646	0.5
335.25995	0.4
347.09531	3.1
363.09137	0.7
365.10519	1.2
405.13657	5.1
413.17880	1.8
440.19104	1.7
519.29248	3.1
519.35107	0.2
575.22833	2.1
597.40515	0.3
602.24207	2.0
602.32935	0.3
681.34637	8.9
682.35144	0.6
718.41162	0.7
853.46155	0.5
880.46594	100.0
881.46887	12.8
887.10559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	1.6
72.04514	7.4
72.08151	10.4
74.06068	0.5
83.08618	0.7
83.35542	0.4
84.08117	0.5
86.06052	1.0
86.09705	2.9
87.50364	0.4
100.07637	0.7
100.11253	100.0
101.11576	1.6
112.11293	0.4
113.86321	0.4
118.08662	1.3
128.07076	0.5
128.10707	22.5
129.09131	0.7
136.11142	0.7
140.14388	0.9
142.99989	0.5
146.64832	0.5
152.07001	0.5
152.10750	0.7
156.10190	12.2
171.14815	0.5
180.10217	1.2
187.07660	0.5
198.11246	0.6
199.18037	3.9
216.12376	0.5
224.16470	2.2
227.17508	8.1
229.13963	0.7
241.19064	4.0
245.18578	1.4
255.20676	1.3
297.18137	0.8
311.80084	0.5
326.24332	3.9
354.27679	0.9
368.29123	1.1
398.26404	1.8
414.29285	1.4
424.28021	9.8
428.27393	0.7
442.29166	5.0
453.34308	8.9
454.34604	0.8
456.30380	0.9
483.35175	0.6
484.52975	0.6
509.37238	0.7
511.34613	1.4
527.38239	0.6
537.36407	7.0
538.36462	0.6
551.36670	0.5
555.37366	7.1
566.42596	0.9
569.39319	0.6
638.45074	1.0
654.46851	0.9
664.46185	5.1
682.47443	9.1
683.47754	0.8
781.54443	3.7
880.61572	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	881.4868
Annotation	Carriebowmide
Peak:m/z	Relative Intensity
61.02923	5.2
67.05511	3.1
69.03419	4.0
71.01347	0.8
73.02921	4.9
79.05510	2.9
81.03426	1.4
81.07059	4.4
82.29066	0.7
85.02911	5.7
91.03959	3.9
91.05502	1.9
93.07064	2.6
95.08644	3.2
97.02892	7.2
99.04474	1.6
101.02399	2.7
105.07034	1.9
107.08595	1.4
109.02901	1.3
119.08588	0.9
121.10140	1.2
127.03963	2.1
147.11731	1.0
172.39790	0.8
203.05336	1.6
218.38084	0.9
243.08522	1.8
326.63110	0.7
335.25955	1.3
347.09659	4.0
363.09091	0.8
365.10812	1.9
405.13696	6.5
441.20758	4.1
519.29755	4.2
519.36340	0.9
522.58887	0.9
603.26074	5.2
681.34491	8.1
881.48608	100.0
882.48883	15.6
904.20306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.6
67.05515	1.1
69.01353	3.0
69.01780	1.8
69.03436	5.5
69.07072	100.0
70.07400	1.0
71.04984	0.6
78.38889	0.5
81.03429	3.2
83.04983	4.4
85.02911	1.7
86.97492	0.5
87.04477	0.8
87.08110	17.1
91.03954	0.6
95.04991	2.5
97.06543	2.3
99.04493	0.8
105.09158	1.8
105.86269	0.5
111.04451	15.3
115.07568	0.6
120.96811	0.5
128.10732	1.7
129.05472	6.3
133.08577	0.6
147.06534	5.1
165.07588	3.2
173.15379	35.0
175.09737	0.6
175.49243	0.5
194.76241	0.5
215.12860	1.0
225.11322	2.0
229.14360	23.8
243.12375	1.9
261.13385	4.2
279.14474	1.2
302.32394	0.6
339.18259	1.1
343.21133	5.7
357.19174	2.0
375.20038	6.1
393.21259	3.8
471.25818	2.6
486.92578	0.6
489.26910	6.8
490.27335	0.9
507.27792	1.8
546.32098	0.5
603.33484	4.0
717.40546	2.6
831.48212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4839
Annotation	Orbiculatoside B
Peak:m/z	Relative Intensity
65.03940	0.9
67.05506	9.9
67.05865	0.4
69.03427	4.8
69.07060	1.8
69.10769	2.5
70.06590	2.9
70.52592	0.4
71.01349	1.4
71.04991	68.0
72.05310	0.8
72.08144	1.2
73.02917	3.8
73.86040	0.3
75.04483	4.1
79.05499	4.1
81.03417	2.1
81.07055	6.6
83.04980	13.0
83.08588	0.9
85.02901	100.0
85.06538	8.6
86.03228	1.1
86.06057	0.6
86.09705	0.8
87.04473	2.2
91.05476	5.6
93.07042	6.4
95.04963	6.6
95.08596	4.8
97.02885	3.5
97.06534	1.0
97.10169	0.8
99.04462	3.0
101.06013	0.9
103.03932	0.9
103.05424	0.6
105.06378	0.5
105.07027	6.6
107.08599	5.6
109.02869	1.3
109.06521	3.3
109.10153	8.2
110.09682	0.7
111.04442	10.6
111.08060	0.7
113.02364	0.4
113.06012	5.2
115.05441	0.7
117.05471	1.3
117.07040	2.1
119.04976	0.6
119.07784	0.5
119.08571	4.4
120.08089	0.8
121.06480	1.5
121.10136	7.7
123.04431	0.4
123.08047	1.3
123.11700	1.3
125.05938	0.7
125.09608	1.1
127.03909	4.7
128.06203	0.8
129.05473	36.3
129.06853	2.3
130.05859	0.4
130.07762	0.6
131.07048	0.4
131.08548	5.9
133.10121	9.2
135.08038	0.4
135.11644	1.7
136.07597	0.8
137.93019	0.4
138.09149	1.2
139.03830	0.4
141.06990	0.8
142.07799	4.1
143.08571	4.6
143.10664	2.7
145.02832	1.0
145.04945	2.8
145.10120	6.1
147.06516	17.3
147.11681	11.7
149.05934	0.8
149.09605	0.6
149.13206	1.8
153.05440	2.7
155.08536	1.8
157.04936	0.6
157.10121	22.8
158.10461	0.6
159.06496	0.9
159.11681	8.8
161.13261	1.8
163.06033	4.0
163.11172	0.7
165.09038	0.6
166.08487	1.1
167.10690	0.8
169.10097	1.7
171.06487	1.7
171.11687	4.9
173.13229	2.2
175.03896	0.5
175.06050	0.5
175.11147	0.9
177.05443	1.4
183.06454	0.6
183.11639	2.3
185.13237	2.1
187.14796	0.6
189.07501	0.6
195.06396	0.4
195.11659	0.6
197.13240	3.1
199.14761	1.1
201.07564	1.1
201.16380	0.6
201.68129	0.4
207.06454	1.5
209.13170	0.9
211.14809	2.6
213.07420	1.0
213.16287	1.8
215.17923	0.6
222.15558	0.4
223.14738	1.1
224.15547	0.7
225.10062	0.4
225.16306	1.1
231.08604	0.4
237.07428	0.8
238.17062	1.1
239.09166	5.5
239.17877	0.7
251.17804	1.7
253.19510	49.0
254.19891	2.4
255.08556	2.2
255.20927	1.3
257.10135	3.2
265.09390	0.6
269.18982	0.6
271.20554	21.3
272.20801	1.4
273.09601	2.6
275.11221	3.2
281.12604	0.5
281.22473	0.5
283.24075	1.4
291.10715	1.1
293.12195	4.7
295.20432	0.5
303.31845	0.5
309.11862	3.1
355.26019	0.9
377.28015	1.5
395.29440	5.0
399.25043	0.7
413.30475	10.9
417.26123	0.8
431.31549	7.7
432.31461	0.5
433.25443	1.7
482.48624	0.5
517.31396	0.5
559.36035	0.4
575.35608	3.2
579.30707	1.4
593.36627	2.7
663.36688	0.9
721.30219	0.4
721.41309	3.7
725.37634	3.2
726.39844	0.4
739.42688	2.3
809.43286	4.5
867.47321	13.9
868.47534	1.9
885.45251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.497
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20463	0.4
65.76890	0.4
67.05524	0.8
69.02241	1.0
69.02650	3.2
69.03439	2.0
71.08635	0.6
73.02930	3.1
79.05504	0.7
81.03430	1.1
81.07059	2.5
83.08645	0.7
85.02901	3.6
85.10210	0.5
85.68223	0.5
91.03461	0.4
91.03958	2.5
93.06080	0.5
95.08611	1.7
97.02896	4.0
98.22603	0.8
101.02396	0.6
103.04004	0.6
105.06982	0.7
109.02931	0.5
119.08635	0.8
123.11767	0.9
124.93879	0.6
127.03919	1.2
147.11745	2.1
155.31065	0.6
165.12776	0.7
185.04288	0.9
202.06819	0.5
203.05351	1.5
243.08388	0.6
313.09500	0.4
313.27356	1.1
347.09604	2.0
365.10583	1.0
369.83255	0.6
405.13626	2.3
437.20279	1.1
455.21597	0.6
469.20428	9.7
470.21378	0.8
497.30862	2.9
522.34198	0.5
557.16492	1.2
631.25787	7.2
659.35498	3.2
692.67963	0.6
725.44904	2.1
887.49652	100.0
888.50000	13.8
888.67041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06096	21.7
69.07040	3.5
71.08632	11.7
81.07050	3.6
85.10169	5.8
95.08610	6.3
95.85088	2.8
96.15836	3.0
98.98461	5.4
119.74081	2.6
120.42607	2.8
149.42084	3.3
155.01085	7.1
181.36305	3.2
208.64320	3.4
282.27917	10.2
313.27316	100.0
314.27734	8.5
319.85474	3.5
358.29733	3.8
393.23914	11.5
436.28125	19.5
454.29178	20.4
529.64087	3.5
781.07648	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	893.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.6
67.05179	1.8
67.05510	21.2
68.79637	1.0
69.07083	8.1
69.09589	5.7
69.09988	2.2
71.04995	1.8
71.08632	16.1
72.04542	2.2
73.02911	1.2
79.05499	12.6
81.03432	1.1
81.07065	32.0
83.04987	1.2
83.08619	9.9
83.88004	1.0
85.02905	9.8
85.06577	1.0
85.10188	10.6
86.23524	1.2
89.06062	1.8
91.03965	5.7
91.05479	6.3
93.07044	18.3
94.25134	0.9
95.04974	1.7
95.08608	16.8
96.04512	1.1
97.02897	5.1
97.06560	2.6
97.10175	3.5
98.23422	1.3
102.05531	3.6
103.07594	1.4
105.07008	1.8
107.08609	10.9
109.10139	5.5
111.08080	2.2
117.07027	1.9
121.10121	4.8
123.11691	8.1
127.03953	2.8
131.08572	2.1
133.10127	5.6
135.11696	3.9
135.95596	0.9
137.13309	1.3
143.43739	1.0
145.04945	2.9
149.13274	14.3
159.11754	6.1
160.20370	0.9
163.06041	1.9
177.12758	2.0
186.12775	1.1
195.13826	7.5
204.13869	2.1
221.20387	0.9
222.14830	1.8
239.23807	2.3
240.15964	2.9
257.24673	2.1
260.26538	1.0
296.18579	70.9
297.18777	2.4
302.50211	1.0
313.27365	100.0
314.27655	5.6
340.28476	1.5
507.40274	2.7
534.41553	49.1
535.41711	4.4
669.80017	1.1
713.84686	1.1
893.47229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.8
68.89980	1.1
69.03436	2.9
71.31369	1.7
73.02932	3.6
74.79861	1.0
79.05473	1.2
81.03414	1.6
81.07073	2.9
81.08163	1.0
83.08655	1.1
85.02897	4.6
85.10186	1.3
89.10725	1.0
91.03975	3.1
92.70043	0.9
93.07066	1.4
93.41615	1.0
95.08613	2.3
97.02913	4.1
101.02381	1.9
107.08609	2.2
109.02929	1.4
127.03960	2.2
130.91901	1.0
149.13345	1.2
158.03989	1.0
202.34308	1.2
235.13368	1.1
243.08617	2.1
279.23611	1.0
313.27264	1.3
347.09647	2.1
356.56601	1.1
362.73544	1.4
365.10541	1.6
405.13580	5.1
445.90729	1.1
453.21127	4.8
480.22473	3.1
497.30914	4.3
568.39270	1.2
615.26373	3.0
642.27570	4.7
659.36316	3.4
736.46552	1.2
898.51251	100.0
899.51581	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.428
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40925	0.3
69.03456	0.4
69.31509	0.3
69.31807	1.8
70.06591	100.0
71.06938	1.3
72.08155	3.6
83.06104	0.6
84.04504	9.5
84.08142	0.9
86.09695	1.5
95.79472	0.3
98.06055	3.6
101.07140	4.4
109.02922	0.5
115.05476	0.4
116.07108	0.4
117.03716	0.7
118.06879	77.4
119.07216	1.4
120.08105	0.6
125.07121	0.3
126.05533	2.1
127.03967	0.3
127.08700	0.9
129.06596	3.4
129.10234	0.5
130.05042	0.4
130.06531	5.2
132.04782	0.4
132.08102	1.3
136.07585	0.5
136.10994	0.3
138.09122	1.6
142.06519	0.3
144.08057	0.5
148.06078	1.4
151.12160	0.3
155.08195	0.4
155.11746	0.6
157.06071	1.6
159.09172	7.3
160.09488	0.4
163.09000	12.3
165.10222	0.4
167.11867	0.4
169.07611	0.4
170.05991	2.1
174.05769	0.4
178.05034	0.5
181.09766	0.3
182.08441	0.4
182.12921	1.4
183.11284	2.2
187.08717	0.4
195.11348	1.6
199.10812	0.5
200.13966	1.8
209.10844	0.4
210.12389	0.5
211.12321	0.9
223.12280	2.3
225.13959	0.8
226.05289	0.6
227.10220	0.7
228.13397	0.8
239.11787	1.2
242.16418	0.4
243.08064	1.5
243.11618	0.6
245.11325	27.0
246.12794	8.0
256.14450	1.0
257.09564	0.4
260.27264	0.3
267.11279	0.4
274.12192	20.1
275.12448	0.8
284.13864	2.3
286.15430	0.5
324.15521	0.4
332.14233	0.4
342.16583	59.8
343.16888	3.6
345.19513	0.4
373.19034	25.2
374.19540	1.8
383.20523	0.3
414.21771	0.4
429.19470	0.5
430.20981	0.6
432.23749	0.3
511.21848	1.0
515.27917	4.3
516.27606	0.6
528.24536	4.5
529.24615	0.7
531.27557	6.4
532.27008	0.5
539.25568	0.7
559.26978	11.9
560.27264	1.9
628.33057	0.4
656.32037	4.0
657.32813	0.5
900.41644	1.0
901.45135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.2
66.37274	1.4
67.05506	31.0
67.05841	2.6
69.07085	10.1
69.08015	10.8
70.58858	1.2
71.04994	1.3
72.48352	1.2
73.02924	1.7
79.05496	31.7
81.03415	3.0
81.07061	36.3
81.07529	2.5
81.31532	1.5
83.04982	3.0
83.08619	8.2
85.02917	4.1
85.84957	1.2
90.62995	1.2
91.05485	13.2
93.07045	41.4
94.07391	1.1
95.04974	6.7
95.08601	42.5
97.02910	4.3
97.06563	2.8
97.10180	2.1
99.04469	1.9
105.07037	11.0
107.04956	4.5
107.08602	26.7
109.06537	2.0
109.10151	8.5
117.07009	8.0
117.89265	1.2
118.96161	1.3
119.08574	11.9
121.06516	4.4
121.10137	18.6
123.11703	1.9
123.22030	1.3
131.08588	5.4
133.10120	5.5
135.08067	3.3
135.11696	34.7
136.12036	1.9
141.12737	1.4
145.10121	24.9
147.11792	2.2
149.13284	2.5
159.11746	2.9
161.22220	1.4
163.05997	1.9
163.11189	41.4
163.14815	2.1
173.13289	3.2
181.12228	6.4
209.11671	1.8
227.12776	48.0
243.21086	1.8
261.22101	6.5
283.15393	54.1
284.15967	2.1
293.76614	1.4
317.24731	2.0
325.82843	1.4
335.25812	100.0
336.26114	6.4
353.40771	1.2
424.75662	1.3
427.19522	2.5
543.36823	85.4
544.37396	9.7
705.41754	2.6
841.39191	1.4
902.45551	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	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.2
66.37274	1.4
67.05506	31.0
67.05841	2.6
69.07085	10.1
69.08015	10.8
70.58858	1.2
71.04994	1.3
72.48352	1.2
73.02924	1.7
79.05496	31.7
81.03415	3.0
81.07061	36.3
81.07529	2.5
81.31532	1.5
83.04982	3.0
83.08619	8.2
85.02917	4.1
85.84957	1.2
90.62995	1.2
91.05485	13.2
93.07045	41.4
94.07391	1.1
95.04974	6.7
95.08601	42.5
97.02910	4.3
97.06563	2.8
97.10180	2.1
99.04469	1.9
105.07037	11.0
107.04956	4.5
107.08602	26.7
109.06537	2.0
109.10151	8.5
117.07009	8.0
117.89265	1.2
118.96161	1.3
119.08574	11.9
121.06516	4.4
121.10137	18.6
123.11703	1.9
123.22030	1.3
131.08588	5.4
133.10120	5.5
135.08067	3.3
135.11696	34.7
136.12036	1.9
141.12737	1.4
145.10121	24.9
147.11792	2.2
149.13284	2.5
159.11746	2.9
161.22220	1.4
163.05997	1.9
163.11189	41.4
163.14815	2.1
173.13289	3.2
181.12228	6.4
209.11671	1.8
227.12776	48.0
243.21086	1.8
261.22101	6.5
283.15393	54.1
284.15967	2.1
293.76614	1.4
317.24731	2.0
325.82843	1.4
335.25812	100.0
336.26114	6.4
353.40771	1.2
424.75662	1.3
427.19522	2.5
543.36823	85.4
544.37396	9.7
705.41754	2.6
841.39191	1.4
902.45551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.2
69.53448	0.3
70.06579	0.1
71.68754	0.1
77.03926	0.2
78.78258	0.1
79.05490	1.0
81.03421	0.2
85.02906	1.2
85.06544	2.0
92.85623	0.1
95.04965	1.0
95.96941	0.1
97.02892	0.3
98.22672	0.1
99.04449	0.1
105.04514	0.5
107.04956	100.0
108.05280	2.4
109.02902	0.1
119.04938	0.1
123.04413	0.1
127.03939	0.3
145.04962	0.7
145.08595	1.7
146.08952	0.1
163.06027	0.3
191.09158	0.8
197.18486	0.1
213.09109	1.9
214.09435	0.1
267.08737	0.1
269.10208	0.1
289.09238	0.1
297.13394	0.4
325.11258	0.6
943.00018	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	906.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.8
67.05511	27.1
69.03436	1.0
69.07081	12.2
69.70119	3.0
71.05001	1.9
71.08660	0.9
71.39168	0.8
73.02937	2.6
79.05498	11.3
81.03403	1.5
81.07063	60.5
82.07388	1.4
83.04986	4.5
83.08639	6.4
85.02903	7.3
85.06550	2.3
91.03967	5.1
91.05483	14.8
93.07045	9.6
95.08614	21.1
97.02888	4.1
97.06544	3.9
97.10207	1.6
99.04465	0.8
99.08109	2.5
101.06062	1.0
105.07035	18.1
106.07389	1.0
107.08589	8.4
109.06545	3.6
109.10158	5.9
119.08590	15.8
121.10147	13.9
123.08121	3.0
123.11713	16.0
127.03928	1.1
127.07590	1.6
131.08607	1.2
133.10193	2.2
137.13272	2.4
139.11165	1.0
145.04955	1.5
147.11697	39.6
148.12129	0.9
163.06056	1.9
165.12753	15.0
175.11243	1.4
183.13817	2.2
184.30038	0.8
193.12292	1.5
229.14461	4.1
245.22594	0.8
263.23788	2.3
267.15927	100.0
268.16278	3.8
285.16989	52.8
286.17346	1.7
324.40900	0.9
324.68185	0.8
337.27383	33.3
337.31439	1.8
338.27631	2.2
339.10724	0.9
367.03189	0.8
491.26450	0.9
529.38757	2.2
547.39948	45.3
548.40228	4.6
565.40948	1.5
639.29413	0.9
673.61810	0.9
728.59515	1.0
753.85822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.3
69.03434	4.2
69.07072	1.1
71.01375	0.7
71.30402	0.7
73.02917	4.3
79.05478	3.0
81.03448	1.6
81.07069	5.2
85.02909	6.9
87.04463	0.7
91.03942	2.6
91.05497	2.0
93.07045	4.3
95.05009	0.8
95.08627	3.9
97.02894	6.1
97.06544	0.9
99.04483	1.1
101.02399	1.8
105.07044	0.8
107.04951	0.6
107.08622	2.2
109.02930	0.8
109.10159	1.4
112.86786	0.5
114.10727	0.6
117.07000	0.7
119.08593	0.8
121.10184	1.8
127.03928	1.5
131.08586	0.9
133.10205	0.9
135.11743	2.1
145.10158	0.8
149.13277	0.9
163.11279	1.6
185.04285	1.0
222.63646	0.5
227.12912	1.3
243.08434	1.2
249.10986	5.7
269.17865	0.6
285.19751	0.5
287.18475	0.6
335.26004	1.6
341.17346	0.5
347.09521	3.3
363.08966	1.3
365.10727	1.0
405.13730	7.4
467.18851	3.6
503.37854	1.2
504.38055	1.9
519.29431	3.7
529.39282	0.7
530.39777	0.7
547.40436	0.6
548.40540	0.9
629.24188	3.5
681.34491	9.9
682.35260	1.1
745.41327	0.9
876.68805	0.6
907.46576	100.0
908.46832	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.3
69.03434	4.2
69.07072	1.1
71.01375	0.7
71.30402	0.7
73.02917	4.3
79.05478	3.0
81.03448	1.6
81.07069	5.2
85.02909	6.9
87.04463	0.7
91.03942	2.6
91.05497	2.0
93.07045	4.3
95.05009	0.8
95.08627	3.9
97.02894	6.1
97.06544	0.9
99.04483	1.1
101.02399	1.8
105.07044	0.8
107.04951	0.6
107.08622	2.2
109.02930	0.8
109.10159	1.4
112.86786	0.5
114.10727	0.6
117.07000	0.7
119.08593	0.8
121.10184	1.8
127.03928	1.5
131.08586	0.9
133.10205	0.9
135.11743	2.1
145.10158	0.8
149.13277	0.9
163.11279	1.6
185.04285	1.0
222.63646	0.5
227.12912	1.3
243.08434	1.2
249.10986	5.7
269.17865	0.6
285.19751	0.5
287.18475	0.6
335.26004	1.6
341.17346	0.5
347.09521	3.3
363.08966	1.3
365.10727	1.0
405.13730	7.4
467.18851	3.6
503.37854	1.2
504.38055	1.9
519.29431	3.7
529.39282	0.7
530.39777	0.7
547.40436	0.6
548.40540	0.9
629.24188	3.5
681.34491	9.9
682.35260	1.1
745.41327	0.9
876.68805	0.6
907.46576	100.0
908.46832	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.7
70.06604	1.3
70.51073	1.2
72.08158	0.8
72.13201	0.4
81.17275	0.5
85.02901	0.7
91.05493	0.8
92.79782	0.4
101.71149	0.5
108.08143	0.8
109.87009	0.4
115.11667	0.4
120.08126	0.9
122.06029	0.5
136.07611	0.8
138.09111	0.6
146.84752	0.4
148.07643	0.5
159.09140	0.5
166.08681	1.0
178.08801	0.5
182.09641	0.8
183.09236	0.8
184.11281	0.6
189.10243	0.7
190.11113	0.8
195.09232	0.7
196.09883	0.5
197.10721	1.6
209.10718	4.9
210.11488	2.8
211.08733	1.7
211.12288	3.2
212.11168	0.6
212.13130	1.5
213.10318	1.1
214.10989	0.5
223.12338	0.9
224.09325	0.9
224.12947	0.6
225.10196	3.9
225.13794	0.8
226.11046	1.0
227.11777	3.2
228.12511	1.0
229.13367	1.0
231.11345	0.6
237.10236	4.3
237.13934	0.8
238.10854	3.8
239.11780	5.1
240.12599	3.9
241.13391	1.8
242.10605	1.5
243.11304	0.9
251.11795	2.3
253.13380	3.9
255.11305	1.0
255.14961	1.3
256.12100	1.9
257.12973	1.2
263.11688	0.7
266.93567	0.4
267.11304	0.6
269.12866	5.2
270.10123	0.6
271.10837	2.8
271.14471	7.9
272.11548	0.8
273.12299	1.1
279.11389	1.1
281.12878	1.9
283.10873	0.9
283.14423	0.7
284.11520	2.5
285.12299	3.4
286.12933	2.4
287.13947	1.9
294.59253	0.5
295.10962	0.6
297.12344	39.5
298.12762	2.4
299.13898	38.9
300.14331	1.8
301.12335	0.7
301.15540	2.7
304.14511	0.5
314.13068	0.7
316.14395	3.5
317.15451	0.6
328.14499	1.0
329.15363	0.9
330.16058	3.1
331.16818	3.8
332.17593	1.5
342.15979	0.6
344.13449	0.6
344.17590	11.2
345.18161	1.2
346.19125	4.0
360.20670	6.4
372.16678	0.5
376.16626	0.8
388.16574	0.5
390.18079	3.5
402.18085	1.1
403.18924	1.9
404.19778	5.7
405.19894	0.7
416.20020	0.5
419.22162	1.7
423.18201	0.8
436.19595	0.6
437.19724	0.7
445.19818	0.8
448.18716	0.8
451.21124	0.4
453.22681	0.8
462.20297	12.5
463.20914	3.8
464.21866	1.5
465.23520	0.4
466.22968	0.5
467.24472	0.9
497.22217	1.0
525.25055	1.2
541.27313	0.5
567.25952	1.5
569.23907	1.0
570.24286	0.6
585.27094	100.0
586.27258	10.6
609.25928	0.5
747.32312	39.3
748.32538	5.5
817.15765	0.6
909.36993	6.5
910.37732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.3
69.12930	2.1
70.06589	0.9
72.08148	0.6
85.02914	0.6
91.05466	0.4
106.63618	0.3
108.08120	0.9
120.08115	0.6
122.09654	0.4
124.07574	0.4
128.22148	0.3
128.95671	0.3
134.06096	0.5
136.07628	0.8
139.04291	0.3
145.07666	0.5
160.07582	0.5
164.06978	0.3
166.08678	0.7
169.07626	0.4
170.09782	0.3
182.09697	0.6
183.09209	0.9
184.09863	0.4
184.11325	0.8
189.10326	0.6
190.11060	0.4
195.09135	1.0
196.09897	0.8
197.10666	2.3
198.11539	0.9
199.08707	0.4
199.12354	0.6
207.06955	0.3
209.10709	6.7
210.11443	3.3
211.08673	1.4
211.12248	3.0
212.09415	1.0
212.12874	1.6
213.10277	1.0
221.10773	0.4
223.12270	1.3
224.09453	0.9
224.13141	0.4
225.10204	3.9
225.13785	0.5
226.10954	1.2
227.11781	3.4
228.12575	0.6
229.13330	0.9
231.11409	0.4
237.10223	4.4
237.13933	0.6
238.10912	3.4
238.14728	0.6
239.11794	4.9
240.12535	3.5
241.13411	0.9
242.10350	2.0
243.11250	0.9
251.11787	1.9
252.12439	0.4
253.09734	0.6
253.13420	2.7
254.11786	0.6
255.11345	1.2
255.14903	1.2
256.11902	1.7
257.12918	1.0
263.11694	0.5
265.13269	0.4
267.11346	0.8
269.08844	0.3
269.09927	0.5
269.12799	4.9
270.13385	0.7
271.10913	1.9
271.14471	8.3
272.14914	0.4
273.12314	0.7
277.13376	0.4
279.11322	1.5
281.12836	1.4
283.10873	1.2
283.14453	1.2
284.11526	1.9
285.12286	2.6
286.13086	1.7
287.13931	1.0
295.11002	0.5
297.12329	41.6
298.12646	2.8
299.13892	38.7
300.14236	3.0
301.12259	0.9
301.15613	1.7
302.13040	0.8
302.16418	0.5
307.14670	0.4
309.12537	0.4
315.13959	0.7
316.14435	3.7
316.17856	0.6
317.15213	1.4
318.15872	0.5
328.14478	1.0
329.15292	1.1
330.15939	3.5
331.16815	5.4
332.17493	1.3
344.17566	12.5
345.18082	1.2
346.19095	4.5
358.01709	0.3
358.19293	0.5
359.19766	0.4
360.20700	5.7
370.15619	0.5
372.17203	0.5
376.16406	0.9
386.18665	0.8
388.16611	0.9
390.18033	5.3
391.18655	0.6
399.52029	0.4
402.18173	0.6
403.18909	2.3
404.19733	6.0
405.20059	0.6
416.19986	0.5
418.21188	0.9
419.22174	1.2
423.17780	0.6
437.19781	0.9
438.20319	0.5
445.19846	0.8
448.18628	0.6
449.19315	0.4
450.20490	0.6
451.21390	0.9
452.22028	0.8
453.22714	1.0
462.20255	12.3
463.20975	4.9
464.21674	1.7
467.24207	0.7
497.21808	0.7
511.23297	0.5
525.25012	1.3
567.25879	1.2
568.24219	0.7
569.24750	0.5
585.27051	100.0
586.27393	10.9
729.30481	0.5
747.32288	26.5
748.32788	4.7
909.36987	4.2
910.37665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.6
69.03437	3.7
69.07098	0.7
71.30097	0.9
73.02929	3.6
79.05521	2.0
81.03403	1.5
81.07081	2.6
83.08624	0.6
85.02923	5.6
91.03961	3.5
91.05514	0.9
93.07078	2.0
95.08640	2.2
97.02910	5.4
105.07085	1.0
107.08633	1.4
109.02933	0.8
110.13474	0.6
115.03961	0.7
119.69003	0.7
123.11750	1.0
127.03960	1.2
131.08609	0.8
147.11783	2.0
172.95303	1.7
185.04318	1.3
203.05318	1.2
208.80934	0.6
237.52838	0.6
251.12737	1.0
332.00308	0.8
347.09552	3.4
365.10577	1.8
405.13763	4.3
469.20551	5.7
473.20227	1.3
474.20789	1.7
475.20541	1.3
519.29279	3.4
631.25867	5.8
635.79785	0.7
681.34760	6.3
747.42810	1.3
909.48187	100.0
910.48468	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81964	0.5
67.11430	0.4
67.94440	0.5
69.03419	0.9
70.06586	1.9
71.14980	0.5
77.03923	0.5
79.05479	1.9
85.02888	0.6
95.04964	2.1
105.04536	0.8
107.04956	100.0
108.05287	3.2
120.24080	0.5
129.03140	4.1
151.07303	0.6
167.06827	4.6
185.04239	8.4
195.06285	9.5
203.03561	0.3
203.05286	10.7
213.07339	47.5
214.07631	0.8
247.80237	0.5
262.27191	0.5
291.08075	0.7
306.72141	0.5
309.09549	1.1
329.12195	0.5
347.09583	0.9
357.11508	0.9
375.12613	23.1
376.13132	0.7
419.16629	2.4
435.16132	2.6
453.13742	1.2
463.15817	2.6
471.15082	1.3
481.16852	13.0
482.17252	0.9
537.18121	1.6
643.22052	37.5
644.22717	3.1
753.27118	0.6
768.68390	0.5
805.26697	3.5
911.31543	48.0
912.32019	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	911.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.6
69.03438	4.0
69.07076	1.3
70.95412	0.7
71.01362	0.4
73.02928	3.7
79.05507	1.2
81.03437	1.6
81.07067	3.9
83.04972	0.5
83.08629	0.5
85.02912	6.1
85.03377	0.6
88.40629	0.4
91.03963	4.0
91.05506	1.1
93.07076	1.2
95.08618	2.6
97.02897	6.0
99.04507	1.0
101.02407	1.8
105.07060	1.2
107.08637	0.7
108.13774	0.5
109.02926	1.2
109.10175	0.7
119.08602	0.5
121.10172	0.8
123.11697	0.9
127.03965	1.7
147.11749	1.7
165.12895	0.7
185.04280	1.1
203.05400	1.4
206.66789	0.6
243.08478	1.3
251.12634	1.4
259.08057	0.6
267.16187	0.5
267.80423	0.4
305.08545	0.6
324.25900	0.4
347.09451	3.1
363.09033	0.5
365.10751	1.8
405.13770	4.9
469.20422	5.6
470.20761	0.5
521.30817	6.2
561.06860	0.5
631.25745	4.2
683.36176	7.6
683.46954	0.8
684.36517	1.1
749.44452	2.3
911.49738	100.0
912.49963	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.9
69.03436	3.6
69.07069	1.2
70.45136	0.8
70.45467	0.4
71.01360	0.8
71.05019	0.6
73.02917	3.9
79.05510	1.3
81.03439	1.6
81.07058	5.2
83.05002	0.5
83.08636	0.5
85.02905	6.3
87.04477	0.6
89.15654	0.4
91.03954	3.4
91.04440	0.4
91.05486	1.1
91.20499	0.5
93.07067	0.9
95.08610	2.8
97.02891	6.8
99.04477	1.4
101.02377	3.0
103.03988	0.5
105.07066	0.9
107.08614	0.8
109.02908	0.9
109.10186	0.9
110.57322	0.4
115.03996	0.5
119.08597	0.8
121.10177	1.1
123.11729	1.3
123.57390	0.5
127.03960	1.7
127.07545	0.4
147.11696	2.6
165.12859	1.1
185.04263	1.0
203.05353	1.6
215.63824	0.5
216.11481	0.4
243.08406	0.8
251.12691	1.1
259.07864	0.5
267.16031	0.6
289.70804	0.4
307.15408	0.7
347.09528	5.2
353.28857	0.4
363.08997	0.8
365.10544	2.2
405.13577	4.0
469.20416	10.1
470.20663	0.7
521.30945	3.8
631.25616	8.4
632.26160	0.7
683.36102	6.2
684.36371	0.9
692.46991	0.5
749.44153	1.6
911.49707	100.0
912.50104	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.4
67.05502	53.5
69.03422	2.7
69.07064	14.5
71.04984	2.9
71.08640	1.4
72.04501	2.0
73.02913	4.9
78.70161	0.6
79.05493	39.5
80.05831	0.9
81.03423	3.1
81.07054	64.2
82.07399	0.7
83.04986	2.9
83.08613	9.2
84.04501	1.9
85.02905	15.0
85.06535	2.5
87.04453	0.8
91.03957	10.5
91.04893	1.0
91.05477	20.3
93.07040	49.2
94.06576	0.7
94.07355	1.4
95.04959	3.6
95.08604	33.0
96.04514	1.2
97.02883	10.5
97.06528	4.8
97.10203	1.4
98.23402	2.2
99.04450	1.2
99.08092	0.7
102.05539	4.4
102.93650	0.6
105.04510	0.9
105.07024	10.5
106.06547	0.7
107.04986	0.9
107.07864	1.4
107.08592	28.9
108.08183	0.7
109.02872	0.8
109.06475	1.5
109.10154	10.5
111.08092	2.7
115.03909	0.8
116.18272	0.7
117.07024	7.7
119.08575	6.5
121.06487	1.5
121.10140	16.0
122.09632	0.9
123.11710	10.3
125.09642	0.6
127.03913	4.7
129.84190	0.8
131.08562	10.4
133.10109	12.7
135.08061	1.3
135.11685	10.3
137.13264	1.2
144.06459	0.7
145.04962	5.0
145.10126	3.7
147.11659	4.0
149.13249	18.5
151.11229	1.5
159.11710	9.2
161.13255	2.1
163.05997	5.7
163.14848	2.0
169.10049	1.0
173.13274	2.4
175.14905	0.7
177.12801	3.2
177.16216	0.8
186.12827	1.0
187.14928	0.7
195.12132	1.2
195.13799	13.9
201.16423	0.8
204.13814	1.9
213.14857	1.5
222.14960	1.7
233.22644	1.0
240.15898	6.5
243.20976	3.4
261.22128	13.8
269.17480	13.1
296.18555	83.9
297.19098	3.2
317.24756	2.9
335.25784	100.0
336.26077	6.1
482.36316	2.1
511.37570	0.8
529.38837	15.0
530.38971	1.3
538.38947	0.8
556.39935	32.8
557.40045	3.2
574.40955	27.9
574.50024	1.1
575.41193	2.7
615.80096	0.8
659.94061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87867	0.6
65.03936	2.2
67.05505	49.9
68.05824	0.8
69.03070	0.5
69.03427	2.5
69.07072	12.0
71.04989	3.3
71.08607	1.1
71.31464	0.8
72.04507	1.7
73.02911	3.8
79.05492	35.2
81.03417	1.6
81.07054	58.5
82.07394	1.1
83.04972	2.2
83.08621	8.5
84.04472	1.5
85.02904	11.3
85.06545	1.3
91.03966	6.9
91.05479	17.6
93.07042	40.4
94.07397	1.0
95.04982	3.1
95.08607	30.3
97.02892	7.1
97.06533	4.8
97.10144	1.1
99.04440	0.9
99.08089	0.8
102.05524	2.2
105.04515	1.1
105.07023	10.3
107.08593	25.2
109.06440	1.2
109.10161	8.8
111.08081	2.5
115.03957	0.6
117.07011	6.6
119.08565	5.9
120.08049	1.0
121.06513	0.8
121.10136	14.6
123.08089	0.8
123.11710	8.2
127.03920	2.7
131.08557	8.9
133.10127	9.6
135.11693	7.4
137.09608	0.7
137.13263	1.2
145.04948	3.7
145.10123	3.0
147.11659	3.4
149.13254	12.5
159.11708	6.6
161.13257	2.1
163.06073	3.4
163.11095	0.6
163.14812	2.3
173.13264	2.0
177.12718	2.9
187.14772	1.2
195.13806	7.6
204.13800	0.8
222.14864	1.1
240.15952	3.4
243.21077	2.3
261.22144	8.8
269.17505	7.4
288.23270	0.8
296.18552	41.1
297.18906	2.3
304.52094	0.7
313.27328	0.6
317.24680	2.4
335.25787	100.0
336.26166	6.9
362.26840	0.8
437.34326	0.7
480.55920	0.7
482.36331	1.4
529.38751	10.8
530.39221	0.8
556.39880	21.1
557.39819	2.2
574.40918	15.0
575.41241	1.7
651.82715	0.7
817.75696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58571	0.2
67.05504	4.0
69.03087	0.3
69.03432	4.3
69.07072	0.8
69.31635	1.9
71.01366	0.8
71.04996	0.6
73.02914	4.9
78.43398	0.3
79.05483	2.9
81.03425	1.9
81.07049	3.9
83.04959	0.3
83.08623	0.9
85.02902	7.0
87.04491	0.4
91.03954	3.8
91.05478	1.8
93.07038	3.0
95.04975	0.3
95.08602	2.5
97.02893	6.6
97.03511	0.4
99.04460	0.8
99.33382	0.3
100.20570	0.3
101.02375	2.2
103.03974	0.4
103.98039	0.2
105.07034	0.8
107.08588	1.7
109.02885	0.5
109.10203	0.8
115.03935	0.5
117.07001	0.7
117.53859	0.3
119.08624	0.5
121.10151	1.5
123.11734	0.6
127.03937	2.1
131.08591	0.7
133.10098	0.6
135.11732	0.8
145.04990	0.5
145.10164	0.5
147.11725	0.6
149.13249	0.6
151.52707	0.3
185.04285	1.0
185.54587	0.3
195.13937	0.6
203.05313	1.4
204.05666	0.3
215.59470	0.3
243.08400	1.4
262.14178	0.4
265.77411	0.3
275.07541	0.3
335.26111	0.3
347.09470	3.8
363.09064	0.8
365.10760	1.8
405.13608	7.1
406.14056	0.5
453.20776	1.5
480.22229	1.2
503.38068	0.3
519.29236	3.2
520.29730	0.3
561.41571	0.6
595.07410	0.3
615.25891	1.8
642.27356	3.0
681.34564	9.6
682.34900	1.1
731.43359	0.4
750.55566	0.3
758.44366	0.8
893.48169	0.6
920.49683	100.0
921.49988	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.6
69.03424	3.8
69.07072	0.8
71.01349	0.5
71.05000	0.7
71.31457	0.4
72.04521	0.4
73.02913	4.4
73.71075	0.3
79.05479	2.6
81.03411	1.8
81.07049	3.9
81.07461	0.4
82.89974	0.3
83.04961	0.4
83.08630	0.6
85.02898	6.7
85.85299	0.3
87.04464	0.5
90.18410	0.2
91.03944	4.2
91.04433	0.3
91.05455	1.4
93.07039	3.3
95.05007	0.5
95.08607	1.5
97.02891	6.7
97.06538	0.3
99.04462	1.1
101.02386	2.0
101.80214	0.3
103.03925	0.4
105.07053	0.8
107.08596	1.9
109.02911	1.2
109.10164	0.7
115.03953	0.5
116.44478	0.3
117.07000	0.7
118.78348	0.2
119.08578	0.5
121.10156	1.3
123.11720	0.7
127.03911	1.9
131.08621	0.7
133.10167	0.9
135.11752	0.9
145.04953	0.7
145.10117	0.5
149.13293	1.2
159.11760	0.8
177.12767	0.4
185.04276	0.9
191.76506	0.3
195.13873	0.9
203.05356	1.2
243.08476	1.3
245.06404	0.5
262.14163	0.3
269.75369	0.3
275.07654	0.3
289.50397	0.3
305.08554	0.4
313.27606	0.5
329.08728	0.3
335.25641	0.4
347.09515	4.6
363.09076	1.1
365.10535	1.6
405.13599	8.8
406.13989	0.6
421.13168	0.3
453.20963	2.7
480.21964	2.3
503.37405	0.7
519.29095	2.1
548.81488	0.3
561.41425	0.4
587.26489	0.4
615.26123	4.6
642.27258	7.0
643.27942	0.7
681.34509	5.7
682.34906	0.8
758.44293	0.8
859.61462	0.3
893.48114	0.5
920.49652	100.0
921.49915	16.7
945.74506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.9
67.05506	67.7
69.03415	2.7
69.07066	11.5
71.04991	24.4
71.31754	1.6
73.02913	2.0
76.18673	1.8
79.05061	3.2
79.05494	37.6
81.03424	2.4
81.07056	95.8
83.04993	3.2
83.08636	8.8
85.02908	18.4
85.06544	10.3
91.03966	11.0
91.05481	33.5
93.07042	36.7
95.05003	2.8
95.08609	32.1
97.02897	9.4
97.06520	5.6
97.10185	3.6
105.07026	15.2
107.08598	24.3
109.10152	17.4
111.08094	4.5
117.07001	5.8
119.08581	10.7
121.10148	17.7
123.11697	13.8
125.09625	1.9
127.03909	4.4
131.08530	8.3
133.10130	21.0
134.98163	2.4
135.11688	12.1
142.25360	1.7
145.04987	3.1
145.10124	4.1
147.11690	3.0
149.13286	8.4
151.11140	6.8
159.11674	7.1
161.13245	3.8
163.06042	5.7
170.56786	1.8
173.13249	3.0
175.14748	1.9
179.14207	1.6
183.11711	2.0
183.13817	2.8
187.13277	4.8
195.13799	2.0
206.51347	1.7
227.16354	3.3
261.22037	2.1
269.17526	7.0
271.56229	1.7
298.13931	1.7
301.20068	25.4
335.25757	19.9
348.17432	1.7
395.19623	2.3
437.34109	2.2
471.24478	2.7
485.36072	4.9
503.37302	100.0
504.37540	6.6
517.38531	3.4
529.38904	23.3
530.39410	2.2
561.41492	88.8
562.42084	9.1
920.48859	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	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.5
67.05508	59.3
69.03434	5.2
69.07065	10.1
71.04989	16.8
71.30806	1.3
73.02924	5.0
79.05491	39.5
79.50977	1.3
81.03432	2.7
81.07056	95.5
83.04971	2.8
83.08607	8.0
85.02906	15.4
85.06533	6.7
91.03985	8.8
91.05482	31.5
93.07041	37.5
95.04972	4.6
95.08605	26.6
95.09160	2.2
97.02895	8.6
97.06531	5.3
97.10153	3.2
99.04524	1.8
99.08080	1.6
105.07017	13.2
107.08588	20.3
109.10149	13.2
111.08083	1.7
117.07045	4.6
119.08579	9.8
121.10139	14.9
123.08062	1.2
123.11701	13.3
127.03926	3.3
131.08569	9.7
133.10123	17.3
135.11694	12.1
142.53534	1.4
145.04962	3.2
145.10149	6.8
147.11702	4.6
149.13281	5.7
151.11206	5.7
157.10097	1.7
159.11667	6.6
161.13232	4.5
163.06039	2.2
163.14703	1.6
173.13263	2.2
177.12862	1.8
183.13806	2.9
187.13287	3.1
203.05286	1.6
259.20892	1.3
261.22189	1.7
269.17523	5.2
301.20093	14.5
335.25800	26.4
335.29599	2.3
336.26062	2.6
403.04379	1.4
405.14175	1.9
485.36111	2.6
503.37314	93.6
504.37582	9.7
517.38977	5.5
529.38898	16.2
530.38757	1.8
561.41504	100.0
562.41919	10.3
615.25995	2.4
642.27527	1.5
681.34344	3.0
920.49463	39.4
921.50073	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	925.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.5
69.03430	2.2
71.04996	0.5
71.30019	0.6
71.30723	0.5
73.02918	2.8
74.18296	0.5
79.05505	1.6
81.03447	2.2
81.07068	2.0
83.05000	0.6
85.02907	4.5
87.04460	0.6
91.03979	1.9
91.05494	1.2
93.07068	0.9
95.05020	0.5
95.08630	1.5
97.02876	5.5
99.04521	0.9
101.02404	1.0
107.08601	0.6
109.10138	0.7
111.04450	1.2
121.10182	1.3
127.03907	1.2
131.34192	0.5
135.11684	1.2
153.12862	0.5
163.11185	0.9
181.12363	0.9
185.04236	0.8
191.10762	0.7
203.05328	1.0
211.82304	0.5
267.12122	2.4
316.70798	0.6
323.14737	0.9
347.09436	5.3
363.08951	0.5
365.10693	1.8
386.92282	0.5
405.13785	3.6
485.19962	6.5
519.29437	2.1
647.24976	7.8
681.34418	4.4
763.42261	1.4
925.47449	100.0
926.47571	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	925.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37751	0.4
67.05496	2.8
69.03432	4.1
69.07069	0.6
69.25768	0.5
71.01359	0.7
71.05007	1.9
73.02917	3.7
79.05486	2.3
81.03432	1.8
81.07053	4.4
81.07458	0.4
85.02907	6.3
85.06555	0.5
87.04473	0.9
88.42027	0.5
89.81950	0.4
91.03958	3.5
91.05508	1.6
93.07046	1.9
93.22468	0.4
95.04977	0.4
95.08632	1.8
97.02890	6.2
98.22552	0.9
99.04462	0.5
101.02373	2.0
105.07069	1.4
107.08631	1.1
109.02906	1.2
109.10176	0.9
119.08604	0.6
121.10184	1.1
123.11770	0.6
127.03954	1.5
131.08617	0.5
133.10144	0.8
135.11743	0.8
145.04935	0.5
149.13191	0.4
165.99997	0.5
166.14160	0.4
172.44171	0.4
174.27783	0.3
185.04259	0.4
203.05353	0.8
209.05942	0.4
243.08513	1.7
245.06273	0.4
267.15826	0.6
270.74841	0.4
304.01892	0.4
347.09634	2.6
348.10095	0.5
363.09048	0.7
365.10602	1.9
405.13736	6.7
406.14459	0.4
485.23749	2.3
519.29041	2.5
601.30139	0.5
603.26202	0.4
647.28595	4.3
681.34497	9.9
682.35095	0.7
763.45703	1.1
925.51263	100.0
926.51538	15.4
926.69836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.3
69.03430	3.7
69.07073	0.7
71.01345	0.5
71.05003	1.6
73.02917	3.3
79.05499	1.9
80.78743	0.4
81.03444	1.2
81.07057	3.1
85.02903	5.5
85.03352	0.4
87.04472	0.5
89.06022	0.4
91.03957	2.8
91.05493	2.1
93.07063	1.6
95.08619	0.9
97.02889	5.5
97.03426	0.5
97.06535	0.5
97.41997	0.3
99.04491	1.0
101.02393	1.0
105.07065	0.8
107.08604	1.2
109.02899	0.6
109.10180	0.6
110.48928	0.4
115.03971	0.7
117.07085	0.7
119.08631	0.4
121.10202	0.6
123.11701	0.5
127.03971	1.6
131.08630	0.4
133.10135	1.1
135.11711	0.6
149.13307	0.4
159.11754	0.6
163.37863	0.4
185.04231	0.6
187.13435	0.4
201.36102	0.3
203.05298	0.9
243.08557	1.1
267.15826	1.1
289.09042	0.5
305.08514	0.6
347.09509	3.3
363.08997	0.9
365.10709	1.7
405.13596	7.0
453.21045	0.6
485.23590	3.3
519.29199	2.1
647.28735	7.9
648.29279	0.7
681.34491	4.8
682.34125	0.8
763.46033	1.0
925.51263	100.0
926.51648	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97284	3.7
65.03946	5.8
67.05506	84.7
69.03414	6.3
69.07081	22.3
69.28791	11.8
69.29192	9.8
71.05000	4.9
73.02910	15.6
73.04493	3.3
74.59840	3.1
74.75634	3.1
77.56915	3.5
79.05491	74.7
81.06588	4.9
81.07059	100.0
83.08613	9.1
85.02905	36.9
88.31671	2.9
91.03965	26.7
91.05478	58.2
91.13348	2.9
93.07047	77.1
95.04963	7.7
95.08601	65.5
97.02907	19.8
99.77138	3.3
101.64660	2.8
105.07030	32.8
107.08598	45.3
109.10160	22.2
117.07020	12.8
119.08596	22.6
121.10147	32.0
123.11719	9.7
127.03905	8.7
131.08604	21.7
133.10127	21.8
135.11711	22.0
137.13263	4.4
143.08549	4.6
145.04944	10.6
145.10114	18.2
147.11693	9.2
149.13229	8.9
157.10146	4.2
159.11707	12.8
161.13263	9.9
163.06012	13.0
171.11647	3.1
173.13239	9.3
175.14862	5.3
177.16351	3.8
187.14769	4.4
213.16508	3.3
215.18028	6.2
235.20360	3.5
261.22153	22.0
271.20636	4.2
307.22696	83.9
308.23141	5.1
309.24341	8.3
335.25821	73.1
337.27225	3.8
394.97070	3.8
523.28925	4.2
567.36890	3.3
567.44330	28.8
585.44733	15.2
619.05743	4.1
650.83118	3.4
902.34009	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	930.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.5
66.63698	0.8
67.05505	46.5
69.03446	2.0
69.06688	1.3
69.07066	29.7
69.57195	4.0
71.04986	2.6
71.08627	2.2
73.02917	5.3
79.05489	29.0
81.03407	2.3
81.07053	49.0
82.07388	1.3
83.04990	1.8
83.08149	1.1
83.08623	19.2
83.09113	1.2
85.02904	23.1
85.06544	1.5
85.10152	1.1
91.03954	15.5
91.05478	12.1
93.07042	38.0
94.07392	1.4
95.04974	1.5
95.08606	43.1
97.02887	14.2
97.06545	4.4
97.10159	12.2
98.23361	1.1
99.04449	1.1
99.08085	1.6
105.04500	1.8
105.07034	10.9
107.08595	20.9
109.02899	1.5
109.06496	0.9
109.10152	20.5
111.08073	2.4
111.11703	3.9
115.03954	1.4
117.07020	3.1
119.08579	6.6
121.10134	23.0
123.11700	10.3
125.09592	1.3
127.03885	6.6
129.05429	0.7
131.08565	6.9
133.10120	7.9
135.11690	18.9
136.11998	1.3
137.09659	1.0
137.13263	3.2
139.11195	1.2
145.04953	8.7
145.10121	6.8
147.11699	5.7
149.13277	10.8
151.14864	1.5
159.11732	4.9
161.13220	4.8
163.05974	10.3
163.14822	6.6
173.13239	6.6
175.14853	2.5
177.16426	1.8
187.14787	2.8
201.16397	1.0
211.03860	0.8
219.21085	2.6
233.22533	1.3
233.52725	1.0
237.22058	4.5
243.21065	9.8
261.22134	36.5
262.22501	2.2
299.23654	0.8
309.24249	0.8
311.25784	100.0
312.26083	5.1
317.24710	7.2
335.25787	90.5
336.26169	7.4
337.27338	3.0
434.36917	0.9
439.18649	0.8
497.43484	1.6
515.44519	1.5
571.47186	44.7
572.47351	5.2
589.48273	12.3
590.49335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91128	1.1
67.05505	50.9
67.13813	1.1
69.03430	3.6
69.07072	27.2
70.71381	1.5
70.71721	2.2
71.05007	2.6
71.08638	2.7
73.02922	6.3
79.05498	31.1
81.03419	1.6
81.07055	51.2
82.07397	1.3
83.04967	2.4
83.08624	16.3
85.02910	26.9
85.10172	1.4
88.27085	1.1
91.03956	15.9
91.05477	17.2
92.38470	1.0
93.07046	36.9
95.04993	2.7
95.08608	47.0
97.02895	11.6
97.06537	4.0
97.10165	9.1
98.72433	1.1
99.04466	1.6
105.07034	10.4
107.08596	24.3
107.09293	2.0
109.02924	1.2
109.10153	18.2
111.08124	2.7
111.11702	1.6
117.07033	3.5
119.08577	8.5
121.10129	22.5
123.11726	10.1
127.03931	5.7
129.07050	1.1
131.08574	6.5
133.10150	6.5
135.11688	16.3
137.13237	4.3
139.11136	1.4
145.04964	5.0
145.10127	4.6
147.11708	4.0
149.13248	9.4
158.83919	1.1
159.11632	5.4
161.13277	5.1
163.05968	9.0
163.14859	5.1
173.13301	4.5
175.14763	2.1
177.16466	1.8
187.14804	1.9
219.20995	2.2
233.22664	1.6
237.22150	4.4
243.21062	9.1
244.21373	1.1
261.22156	33.0
271.08304	1.2
298.15756	1.4
301.64136	1.2
309.24268	1.6
311.25793	100.0
312.26001	5.8
317.24738	6.1
335.25784	81.4
336.26236	6.4
337.27316	3.2
369.20654	1.4
413.35355	1.2
497.43408	2.0
515.43970	1.3
571.47156	42.4
572.47394	3.6
589.48352	14.1
590.48834	1.8
903.42957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	38.3
67.42760	1.5
69.03400	2.0
69.07075	12.5
70.48649	2.5
70.48992	3.8
71.04963	1.9
71.08633	20.9
73.02929	4.1
79.05069	2.1
79.05499	22.2
81.03432	2.5
81.07054	40.8
83.08625	13.1
85.02903	15.5
85.10193	8.1
91.03941	11.9
91.05481	11.3
93.07047	25.0
95.04985	1.8
95.08609	37.6
95.14352	1.8
97.02884	13.1
97.10169	5.5
100.22920	1.5
103.07559	2.1
105.07044	7.8
107.08593	13.6
109.10162	16.2
117.06989	2.9
119.08580	7.2
121.10159	13.5
123.11693	7.0
127.03901	3.7
131.08554	5.0
133.10155	7.2
135.11687	11.2
137.13255	4.4
145.04961	6.7
145.10121	7.3
147.11697	5.2
149.13258	7.4
159.11740	4.3
161.13356	3.9
163.06047	6.6
163.07381	1.6
163.14844	4.6
173.13293	3.9
180.10777	1.6
180.65186	1.6
187.14807	4.0
201.16278	2.1
217.23045	1.5
218.16307	1.6
222.35291	1.6
232.92929	1.7
239.23651	2.7
243.21048	9.9
257.24719	2.3
261.22134	36.9
262.22540	2.1
311.26111	1.9
313.27359	100.0
314.27649	4.4
317.24841	8.0
335.25797	80.6
336.26126	4.1
337.27264	3.4
453.63477	1.9
529.61853	1.5
573.39966	2.4
573.48804	44.3
574.49194	1.9
591.49341	6.6
744.03204	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	934.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	0.6
67.05510	36.4
69.03384	0.8
69.07077	18.3
70.43835	1.4
71.05006	1.3
71.08639	19.2
72.08966	0.9
73.02922	4.3
79.05503	10.2
81.03426	1.0
81.07063	44.0
83.04978	1.6
83.08153	0.8
83.08629	14.8
85.02913	14.5
85.09717	1.2
85.10188	13.0
89.06046	1.0
91.03967	9.4
91.05483	5.9
93.07053	10.2
95.04960	0.9
95.08614	41.1
97.02891	8.5
97.06520	1.8
97.10172	7.0
99.04444	1.2
99.08084	1.6
99.11738	0.8
103.07574	1.7
105.07016	3.3
107.08609	6.5
109.09450	1.2
109.10169	18.0
111.08028	1.4
111.11742	1.2
119.08580	4.2
121.10139	5.3
123.11726	7.2
127.03929	4.5
133.10120	4.4
135.11693	2.8
137.09546	0.7
137.13275	3.2
145.04942	4.5
147.11734	3.3
149.13249	2.4
151.14801	1.1
161.13283	3.0
163.06055	5.6
163.14851	2.0
165.16353	1.0
175.14893	1.7
179.17960	0.9
187.80887	0.7
239.23727	3.5
245.22691	5.2
257.24768	1.7
263.23752	11.1
313.27380	100.0
314.27692	5.8
337.27380	77.0
338.27792	5.7
565.82617	0.7
575.50360	63.0
576.50586	8.8
593.51660	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	935.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.2
69.03426	2.8
69.07076	1.0
70.95182	0.6
70.95502	0.6
71.01369	0.7
71.04996	0.5
73.02917	3.4
74.24250	0.4
75.15849	0.4
79.05496	1.6
81.03427	1.8
81.07053	2.6
83.08624	0.7
85.02899	5.8
88.95341	0.4
91.03953	3.1
91.05485	0.7
93.07059	1.8
95.08615	2.3
97.02887	5.3
98.39458	0.4
99.04467	0.9
101.02418	1.7
105.07030	0.6
107.08601	1.1
109.02890	0.9
109.10217	0.6
119.08588	0.5
121.10190	1.1
127.03948	1.5
135.11726	0.6
141.01584	0.4
149.13306	0.5
185.04239	0.7
189.76648	0.4
203.05353	1.1
216.67973	0.6
243.08440	1.5
313.27274	0.7
347.09546	2.9
363.08917	0.7
365.10712	1.5
405.13632	7.5
495.29129	2.2
519.29254	3.1
657.34277	4.2
681.34448	8.0
682.35107	0.7
773.52240	0.8
935.56921	100.0
936.57233	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
71.73500	0.3
78.60186	0.3
81.07070	0.4
85.10960	0.3
93.07109	0.3
97.02916	0.3
107.39000	0.3
110.63068	0.3
400.29385	0.4
647.88379	0.3
658.24994	1.0
697.31641	0.4
936.47125	100.0
937.45819	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	936.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.5
67.61713	0.4
69.01736	2.3
69.02158	2.1
69.03451	0.5
85.02948	0.4
91.03972	0.4
97.02922	0.6
125.96911	0.4
157.44342	0.6
184.29799	0.5
496.07550	0.5
658.24481	0.7
661.54358	0.5
681.35175	0.9
697.32379	1.2
936.47125	100.0
937.45074	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	936.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61441	0.4
66.06142	0.5
67.05505	4.5
69.03422	0.8
69.07073	2.9
69.31435	0.4
69.82053	0.9
69.82442	1.0
71.08633	9.1
73.02922	0.9
79.05493	1.0
81.03415	1.8
81.07061	5.7
83.08618	3.3
85.02919	1.3
85.10189	7.5
89.06026	1.0
91.03951	0.5
91.05474	1.0
93.07030	2.0
95.04942	0.6
95.08607	6.1
97.02882	1.1
97.10178	1.4
98.23266	0.6
98.98478	3.8
99.11701	0.5
109.10168	3.5
111.11688	0.5
119.08615	1.1
121.10139	1.0
123.11693	1.9
124.01617	1.0
130.11047	0.6
131.08672	0.4
137.13239	0.9
142.02718	0.9
155.01070	4.3
173.02176	0.6
198.05298	1.5
216.06360	2.3
239.23618	1.0
257.24750	0.6
261.22244	0.5
267.15881	1.2
282.27930	10.2
283.28265	0.6
313.27368	100.0
314.27676	5.4
335.25699	2.2
337.72162	0.4
393.23984	8.9
394.24631	0.7
405.13623	1.4
426.39108	0.5
436.28265	22.5
437.28534	1.5
454.29291	21.6
455.29318	1.2
469.20663	0.5
519.29004	0.6
527.37030	1.0
545.38263	1.0
681.35150	0.8
936.49097	8.9
937.59979	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	937.585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.9
69.03425	3.3
69.07054	0.5
69.26231	1.1
71.01358	0.4
71.05009	0.5
71.08641	0.9
73.02916	3.3
79.05508	0.9
81.03426	1.4
81.07067	2.0
83.08612	0.4
85.02906	5.5
85.03427	0.3
85.10193	0.4
87.04476	0.5
88.91560	0.2
90.21341	0.2
91.03949	3.7
91.05508	0.6
93.07053	1.7
95.08610	2.0
97.02885	4.9
97.10185	0.3
99.04462	0.8
101.02386	1.8
102.05776	0.2
103.03938	0.3
105.07052	0.6
107.08620	0.8
109.02899	0.6
109.10183	0.9
115.03986	0.4
119.08565	0.3
121.10178	0.6
123.11707	0.5
127.03896	1.0
127.50867	0.2
133.10178	0.3
135.11713	0.4
142.57574	0.2
145.05101	0.3
149.13332	0.3
166.92406	0.2
185.04216	1.0
203.05382	0.8
243.08405	1.7
243.10387	0.2
251.57393	0.2
313.27502	0.6
314.14798	0.2
314.27716	0.2
335.25858	0.5
347.09424	1.8
363.08929	0.4
365.10760	0.7
389.83878	0.2
403.95374	0.2
405.13605	5.3
406.14038	0.4
468.72101	0.2
497.30856	2.6
519.29291	3.7
520.29883	0.4
557.89276	0.2
621.19482	0.3
659.36139	3.4
681.34515	7.1
682.35199	0.6
733.29034	0.2
736.64056	0.2
775.52777	1.3
937.58502	100.0
938.58710	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	937.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.7
69.03429	3.0
69.07076	0.4
69.56534	0.8
70.14040	0.2
71.01355	0.5
71.04975	0.3
71.08635	0.5
73.02921	2.8
73.18015	0.2
79.05486	1.2
81.03425	1.5
81.07043	1.7
83.08636	0.6
85.02904	4.3
85.03373	0.4
85.10181	0.5
87.04466	0.3
91.03960	2.9
91.05503	0.7
93.07044	1.3
95.08606	1.9
97.02894	4.6
97.10201	0.3
99.04474	0.8
100.56488	0.2
101.02381	1.6
103.03943	0.5
105.07041	0.4
107.08606	0.7
109.02889	0.8
109.10171	0.6
115.03968	0.4
117.07043	0.2
119.08598	0.5
121.10142	0.5
127.03905	1.5
131.08646	0.3
133.10164	0.3
133.97734	0.2
135.11685	0.4
145.04997	0.3
145.10184	0.2
185.04193	1.0
193.25275	0.2
203.05362	0.6
218.02838	0.2
243.08421	1.7
313.27524	0.4
347.09485	1.6
363.09039	0.3
365.10706	0.8
405.13663	4.8
405.18890	0.4
497.30988	1.8
518.82898	0.2
519.29358	3.5
520.29559	0.4
576.41431	0.2
659.35974	3.7
660.37189	0.3
681.34485	6.6
775.53125	1.2
937.58502	100.0
938.58759	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	939.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.3
69.03429	2.3
69.07075	0.6
69.20295	1.4
71.01378	0.4
71.04977	0.3
71.08636	0.5
73.02917	2.9
79.05495	0.5
81.03432	1.0
81.07072	1.5
83.08629	0.6
85.02910	4.0
85.03376	0.4
89.50505	0.2
91.03960	2.4
91.05504	0.5
93.07072	0.5
95.08598	1.3
97.02888	3.8
99.04472	0.7
101.02363	1.2
103.03953	0.3
107.08633	0.3
109.02903	0.5
109.10183	0.8
115.03934	0.3
121.10113	0.4
123.11731	0.4
127.03915	1.5
133.10152	0.3
137.13304	0.3
185.04295	0.9
203.05383	0.4
239.85150	0.2
243.08366	1.5
293.85184	0.2
313.27557	0.5
337.27591	0.3
347.09479	1.4
363.09015	0.3
365.10577	1.1
405.13681	4.6
405.18881	0.3
419.84058	0.3
497.30740	2.1
521.30841	3.5
659.36047	3.3
660.36578	0.3
683.36060	6.6
684.36475	0.9
777.55145	1.2
939.60065	100.0
940.60297	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.5
69.68002	1.3
70.06603	0.5
77.03892	0.3
77.72931	0.3
79.05482	1.1
81.03417	1.8
85.02428	0.5
85.02909	6.0
85.06556	0.6
94.48770	0.3
95.04971	1.1
97.02898	1.6
99.04462	0.9
100.45119	0.3
103.03966	0.6
105.04548	0.3
107.04957	100.0
108.05282	2.1
109.02884	3.8
117.40733	0.3
119.45321	0.2
121.67220	0.3
127.03926	5.7
129.10289	0.3
131.23900	0.3
133.04947	0.3
145.04958	1.0
145.08627	0.6
156.15724	0.3
169.04979	1.7
187.06026	2.4
191.09225	0.3
205.07082	16.4
206.07593	0.3
213.09094	0.7
251.79343	0.3
356.76517	0.3
367.12457	0.8
591.67297	0.3
947.64331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52481	2.9
71.07368	4.6
71.08617	1.8
81.07049	0.8
85.10185	1.3
86.09710	46.2
95.08628	1.3
98.98480	3.4
104.10747	100.0
105.11085	1.4
125.00008	24.9
163.01579	0.9
181.02533	0.6
184.07346	97.9
185.07744	1.6
258.11041	1.0
277.85126	0.6
313.27350	3.2
478.32886	10.0
496.33981	88.1
497.34186	6.9
747.34686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04694	5.3
69.05120	3.3
73.62733	1.0
98.22623	1.5
120.37333	0.9
149.91347	0.9
257.94397	1.0
697.32172	1.3
951.54364	100.0
952.54742	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.4
69.66499	1.7
73.24134	0.4
77.42982	0.4
78.91092	0.4
81.07069	0.5
85.60405	0.4
95.08636	0.7
117.40952	0.4
121.64305	0.4
125.70607	0.4
135.94418	0.3
260.05893	0.4
335.25735	0.6
421.42261	0.4
529.05109	0.5
574.76520	0.4
697.32507	1.1
953.55927	100.0
954.56091	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.7
68.05828	0.7
69.03429	2.5
69.05102	6.5
69.07069	10.1
71.04996	1.6
73.02929	5.0
79.05492	31.6
80.05853	0.6
81.03432	1.6
81.07059	49.7
83.04996	1.6
83.08621	5.5
85.02907	18.5
85.06548	1.3
91.03956	10.4
91.04900	1.0
91.05484	19.7
93.07047	34.9
95.04980	3.3
95.08605	34.3
97.02884	9.2
97.06510	1.2
97.10182	2.4
99.04453	1.2
99.08080	0.9
103.03954	0.9
103.05463	0.9
105.04506	0.8
105.07034	16.1
105.07743	0.8
107.08595	18.1
109.06483	1.2
109.10159	16.5
111.08084	1.2
115.03928	1.0
117.07041	5.4
119.08588	10.9
121.10148	14.5
123.08125	1.2
123.11717	6.7
127.03906	5.1
128.64771	0.6
131.08574	10.3
133.10127	9.4
135.11682	11.4
137.09723	0.9
137.13281	2.6
139.11172	0.9
143.08562	1.8
145.04941	7.0
145.10133	8.8
147.11693	8.3
149.09721	0.7
149.13274	8.1
151.14792	1.0
157.10112	1.4
159.11729	7.4
161.13264	7.7
163.06015	9.2
163.14841	4.6
171.11697	1.2
173.13248	6.5
175.14813	3.2
177.16397	1.7
185.13252	2.6
187.14844	3.2
189.16353	1.7
199.14833	1.5
201.16310	1.8
213.16359	0.9
217.19322	0.7
241.19478	3.0
243.21028	5.4
245.22740	0.8
252.17302	0.8
255.33621	0.7
259.20605	9.2
261.22131	20.2
262.22318	0.8
263.23691	1.7
274.76468	0.7
279.23273	1.2
289.21878	1.1
313.25754	0.7
315.23318	1.0
317.24762	4.0
321.23950	0.8
333.24146	7.6
334.24731	0.9
335.25809	100.0
336.26108	4.9
337.27295	11.1
353.27322	0.8
494.25592	0.8
521.43463	2.3
539.43866	1.0
595.47314	13.8
596.47717	1.4
613.39575	1.3
613.48358	18.5
614.48383	1.2
627.13098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	87.5
68.05826	1.4
69.03416	3.7
69.07069	31.2
71.04993	3.2
71.08633	1.7
73.02927	7.2
79.05488	43.4
81.03404	1.9
81.07054	95.3
82.07383	2.7
83.04972	1.8
83.08616	17.7
85.02903	25.5
85.03421	1.3
85.06545	3.9
91.03959	19.3
91.05476	30.3
93.07042	50.9
95.04964	3.6
95.08604	76.5
96.08973	1.4
97.02885	15.1
97.06535	5.5
97.10166	9.2
99.04436	1.3
99.08102	3.9
105.04523	1.5
105.07026	23.2
107.08591	30.1
107.34435	1.3
109.10154	29.8
111.11703	2.3
113.09687	1.4
115.03943	1.7
117.07028	7.9
119.08573	21.7
121.10136	26.0
123.08107	1.6
123.11695	14.0
125.09644	2.8
125.77046	1.0
127.03931	7.1
129.07018	1.3
131.08565	12.0
133.10130	16.7
135.11694	18.0
137.13243	5.0
139.11189	1.9
143.08549	2.2
143.30222	1.2
145.04993	8.6
145.10100	9.8
147.11681	14.5
149.13260	12.2
151.14856	2.5
159.11682	9.6
161.13264	11.8
163.06027	8.5
163.14790	8.7
171.11723	1.3
173.13278	8.5
175.14848	6.7
177.16313	4.0
185.13286	2.4
187.14874	4.1
189.16399	1.4
201.16258	2.0
205.19420	1.2
213.16487	1.3
217.41014	1.1
241.19633	2.3
243.21051	10.1
245.22630	5.0
259.20605	6.0
261.22128	25.6
262.22528	1.5
263.23706	6.0
279.23108	1.7
317.24750	4.5
319.25961	1.6
323.25854	1.5
333.24167	4.5
335.25803	83.6
336.26099	4.5
337.27350	100.0
338.27692	6.3
339.29010	8.0
523.45111	4.4
531.40228	1.4
541.45667	1.5
597.48694	36.4
598.48865	5.1
615.49677	39.3
616.50220	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	957.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05571	0.3
70.06591	100.0
70.70435	0.4
70.70819	0.2
71.06927	1.0
72.08153	3.3
73.72509	0.3
76.04011	1.1
83.06097	0.6
84.04501	10.7
84.08167	0.4
86.09714	0.5
92.33434	0.2
96.97997	0.2
98.06054	5.9
101.07136	4.8
102.05553	1.3
104.52644	0.2
112.03990	0.2
115.05489	0.4
115.08687	0.4
117.03735	0.9
118.06875	78.7
119.07222	0.9
126.05517	3.6
127.08697	0.9
129.06604	3.3
130.06512	5.7
132.04808	0.3
132.08102	1.3
138.09158	1.2
142.06551	0.3
144.08095	0.5
146.56660	0.3
151.08800	0.3
153.10287	0.3
155.11792	0.7
157.06107	1.8
159.09175	7.3
163.08998	11.8
165.10242	0.3
167.11833	1.2
169.07562	0.5
170.06026	2.9
174.05849	0.7
178.05132	0.4
181.09779	0.5
182.08353	0.4
182.12869	1.3
183.09248	0.3
183.09787	0.3
183.11292	2.2
187.07149	7.4
187.08777	0.6
195.11316	2.5
199.10774	9.3
200.13930	2.1
201.10605	0.4
205.08183	3.1
209.10864	0.4
210.12305	0.3
211.12349	1.1
213.13831	0.8
223.12312	2.6
225.13908	1.1
226.05345	0.5
227.10249	8.6
228.13445	0.8
239.11848	1.9
240.15009	0.3
242.16519	0.6
243.08035	1.5
246.12718	8.0
247.13200	0.4
256.14496	1.1
257.09720	0.7
267.11334	0.5
274.12192	21.2
275.12497	0.8
284.14255	1.7
286.15399	0.4
291.14697	0.3
302.13443	15.8
303.13806	0.6
324.15506	2.0
326.77249	0.2
345.19409	0.5
351.18127	0.3
373.19031	23.3
374.19284	1.2
381.18265	0.6
399.18729	85.2
400.19077	3.9
410.20395	0.5
414.21075	0.3
430.21063	0.6
431.22235	0.3
479.73645	0.3
510.22604	0.3
515.27985	3.6
516.28308	0.4
527.26025	0.4
531.27344	6.2
539.25903	0.9
542.24121	0.4
559.26941	12.4
560.27209	1.0
568.23822	1.4
585.26691	6.5
586.26831	0.6
628.32904	0.4
656.32178	4.9
657.32458	0.6
684.32526	0.5
882.41217	0.4
957.45355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	61.0
68.05829	0.6
69.03429	2.5
69.07070	28.0
70.55148	0.5
71.04968	1.3
71.08632	3.1
71.11361	0.6
73.02927	4.6
77.03873	0.7
79.05493	23.4
81.03416	2.0
81.07058	66.8
82.07398	1.5
83.04987	1.8
83.08144	1.0
83.08619	16.0
84.79695	0.6
85.02908	17.4
85.06535	2.5
85.10171	1.5
91.03954	11.3
91.05480	14.6
93.07043	25.0
95.04973	2.0
95.08607	49.4
96.08968	1.0
96.55302	0.6
97.02889	9.2
97.06523	5.1
97.10172	10.0
99.04440	0.7
99.08086	1.4
105.07034	10.9
107.08593	14.1
109.02889	1.1
109.06496	0.8
109.10155	24.5
111.08089	2.8
111.11731	2.1
113.09623	1.1
117.07022	2.6
119.08591	9.7
121.10147	11.5
123.08096	1.2
123.11710	8.5
125.09636	1.5
127.03886	4.6
131.08577	4.3
132.60994	0.6
133.10138	7.7
135.11699	8.3
137.09615	1.3
137.13272	4.0
144.06551	0.7
145.04962	4.2
145.10110	3.1
147.11685	5.9
149.13245	5.3
151.14816	1.5
155.14322	0.7
157.10106	1.0
159.11682	2.3
161.13275	3.9
163.05988	6.1
163.14832	4.1
165.16406	1.9
173.13300	2.0
175.14867	2.2
177.16368	1.5
179.34924	0.5
180.08684	1.0
181.15942	0.8
187.14772	0.8
189.16417	1.8
193.15617	0.7
203.17886	1.0
229.58833	0.7
243.21109	3.4
245.22745	3.9
261.22162	7.3
263.23666	6.0
275.23508	0.9
289.25275	1.2
291.26587	0.7
303.23203	0.7
311.26010	0.7
317.24796	0.8
319.26276	1.0
325.27377	1.0
335.25766	8.3
337.27362	100.0
338.27695	7.3
339.28879	11.3
345.27963	0.8
349.27170	0.9
437.66483	0.8
525.46881	3.0
543.47717	1.7
599.50311	38.1
600.50739	4.3
617.51367	37.6
617.61615	1.5
618.51550	4.1
957.18951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.9
69.03425	2.8
69.07079	0.5
71.01356	0.5
71.05009	0.3
71.94398	0.3
73.02924	2.7
79.05494	2.2
81.03424	2.1
81.07053	2.7
85.02903	4.7
85.03369	0.4
91.03967	2.6
91.05503	1.2
93.07034	1.9
95.04977	0.3
95.08621	1.4
97.02888	4.5
98.22998	1.6
99.04470	0.7
101.02370	1.5
102.50022	0.3
103.03939	0.4
104.99287	0.3
105.07062	0.8
107.08608	0.6
109.02891	0.7
109.06561	0.4
109.10144	0.4
115.03916	0.7
117.07047	0.4
119.08598	0.3
121.10179	0.7
123.11671	0.3
123.66893	0.3
127.03922	1.3
131.08623	0.5
135.11734	0.5
162.00093	0.2
185.04236	0.6
203.05368	0.8
236.76007	0.3
243.08528	0.8
335.25891	0.6
347.09286	1.8
363.09167	0.9
365.10687	0.8
405.13669	4.2
519.29181	2.9
658.65253	0.3
681.34473	13.1
682.35248	1.1
797.52374	0.8
959.56940	100.0
960.57281	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	959.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.6
67.05798	0.3
69.03429	4.3
69.07072	0.6
70.81916	0.6
71.01368	0.5
71.05008	0.8
73.02917	4.9
77.66287	0.3
79.05482	2.5
81.03418	1.9
81.07060	3.1
83.08632	0.7
85.02910	6.3
85.03427	0.4
87.04512	0.7
90.75027	0.3
91.03948	3.8
91.05484	1.8
93.07028	2.6
95.08598	2.4
97.02899	7.5
99.04490	1.0
101.02400	1.5
103.03941	0.4
105.07071	0.8
107.08611	1.5
109.02906	0.7
109.10181	0.6
115.03928	0.5
119.08595	0.4
121.10123	1.9
127.03970	1.5
131.08623	0.6
133.10165	0.5
135.11726	0.7
143.79521	0.4
185.04253	0.9
203.05249	1.7
243.08366	1.6
259.07956	0.4
261.22290	0.4
275.07492	0.5
305.08505	0.6
335.25925	0.7
347.09460	4.0
363.09109	0.9
365.10550	2.1
405.13696	9.7
406.14175	0.4
421.13422	0.5
489.33905	0.4
519.17584	0.4
519.29211	5.2
681.34558	12.2
682.34766	1.7
797.52448	1.0
959.56946	100.0
960.57269	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.7
69.03427	3.7
69.03708	0.3
69.07084	0.9
71.01357	0.6
73.02917	3.5
79.05499	2.7
81.03444	1.5
81.07056	3.2
83.08601	0.5
85.02903	5.6
87.04456	0.4
91.03953	3.7
91.05456	1.5
93.07053	2.8
94.21072	0.3
95.08601	1.8
97.02895	5.9
99.04491	1.0
101.02387	1.5
105.07059	0.6
107.08624	1.3
109.02903	0.8
109.10197	0.6
115.03937	0.7
119.08645	0.4
121.10164	0.9
127.03956	1.3
131.08656	0.5
133.10143	0.6
135.11792	0.5
138.66740	0.4
149.13292	0.4
185.04279	0.9
203.05376	0.9
216.04536	0.3
228.79346	0.3
243.08563	1.2
335.25934	0.4
347.09491	2.5
363.09033	0.7
365.10828	1.1
405.13678	6.8
480.85245	0.4
519.29230	4.6
627.37842	0.4
679.64508	0.4
681.34576	12.0
682.34528	0.7
797.51569	0.9
959.56958	100.0
960.57129	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	960.6613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	58.7
69.03448	2.1
69.07071	40.0
71.04998	2.4
71.08634	5.2
73.02915	3.9
79.05497	25.2
81.03442	2.1
81.07059	60.3
82.07391	1.4
83.04995	1.7
83.08622	28.3
85.02911	18.4
85.06566	2.2
85.10184	1.7
91.03965	11.9
91.05492	8.7
93.07046	20.4
95.08608	58.0
97.02895	11.7
97.06530	5.1
97.10166	18.1
98.22587	3.4
99.04462	2.2
99.08096	2.3
105.07038	6.5
107.08598	12.6
109.10165	25.5
109.10909	1.5
111.08107	3.5
111.11741	4.0
119.08599	5.6
121.10148	18.3
123.11720	8.1
125.09620	2.5
127.03919	4.5
133.10147	6.4
135.11682	12.4
137.09618	1.7
137.13277	3.1
139.11234	2.7
145.04971	6.3
147.11707	4.4
149.13268	5.3
151.14798	2.0
161.13222	2.7
163.05963	7.6
163.14848	3.0
165.16403	2.2
175.14857	2.1
177.16380	1.7
189.16245	1.4
205.19548	1.5
229.32259	1.5
245.22707	4.9
247.24365	2.4
263.23703	6.0
265.25327	3.7
273.41312	1.2
285.60425	1.4
297.89325	1.2
337.27371	87.0
338.27664	5.2
339.28943	100.0
340.29321	7.0
347.55206	1.3
527.48022	3.2
539.45026	1.2
545.48938	2.4
601.51892	74.8
602.51947	8.5
619.52881	16.4
620.53186	2.2
696.45410	1.7
960.57428	18.6
961.57458	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	961.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.8
69.03427	2.6
69.07082	0.9
69.23958	1.5
71.01353	0.5
71.05001	0.7
71.08647	0.3
73.02917	3.4
76.98921	0.3
79.05500	1.8
81.03421	1.3
81.07054	3.5
81.07458	0.3
82.43921	0.2
83.08635	0.4
85.02904	5.6
91.03961	3.5
91.05473	1.2
93.07041	2.1
95.04979	0.2
95.08602	2.5
97.02892	5.7
97.10253	0.2
99.02135	0.2
99.04487	0.7
101.02384	2.0
102.68295	0.3
103.03975	0.4
105.07059	0.6
107.08631	0.9
109.02913	1.0
109.10175	0.9
117.07044	0.2
119.08604	0.3
120.99286	0.2
121.10201	0.7
123.11741	0.5
127.03918	1.3
131.08644	0.4
133.10141	0.4
135.11725	0.6
136.82918	0.2
137.13298	0.2
145.04996	0.5
147.11681	0.4
161.13240	0.3
185.04312	0.9
186.02791	0.2
203.05360	0.8
243.08374	2.0
282.56778	0.3
329.08707	0.3
335.26123	0.9
336.26175	0.3
337.27362	0.4
341.30698	0.5
347.09482	1.8
363.09171	0.4
365.10739	1.0
389.57840	0.2
405.13696	5.5
519.29291	3.3
520.29663	0.3
521.30768	2.5
541.40240	0.2
657.99896	0.3
681.34479	6.6
681.45526	0.4
682.34991	0.6
683.36017	3.8
799.53357	1.0
961.58502	100.0
962.58820	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.8
68.04983	0.6
69.03431	3.1
69.07043	0.7
69.26076	0.3
70.06600	2.0
70.45638	0.9
72.08113	0.5
73.02879	0.8
79.05472	0.5
81.03365	0.9
81.07018	0.8
82.06530	1.3
83.07314	1.4
83.08583	0.5
84.08100	1.1
85.02451	0.3
85.02908	3.9
86.09681	0.6
87.04428	1.3
91.05479	0.4
93.06995	0.9
94.06561	1.4
96.08134	3.0
97.02904	1.9
99.04432	0.4
100.11278	2.2
104.43130	0.5
105.07008	0.5
107.08604	0.4
108.08091	1.0
109.02833	0.5
109.08860	0.6
110.09690	1.9
111.04429	0.4
111.46503	0.3
112.07626	2.1
120.08052	0.7
122.09661	3.4
123.04431	4.7
126.09143	0.4
127.03878	1.4
127.09073	0.5
127.09937	9.4
129.10258	0.3
136.11142	0.5
140.10706	6.7
145.04936	0.4
150.12706	0.6
152.14304	0.3
165.92500	0.3
182.15402	1.1
201.04425	0.3
206.19023	3.7
209.16476	1.1
210.14822	0.9
224.20111	6.3
225.20528	0.3
232.22058	0.3
271.67688	0.4
290.21301	0.5
314.21002	1.5
328.22714	2.8
329.22836	0.4
330.24261	22.9
331.24619	1.3
347.24527	0.8
348.25317	70.8
349.25620	4.3
372.25299	0.5
390.26410	1.6
453.34378	7.4
454.34756	0.7
492.29868	0.6
510.30615	100.0
511.30920	9.9
526.24243	0.4
631.73486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.5
69.03436	3.7
69.07073	1.0
70.80399	0.4
71.01362	0.7
71.05018	0.3
73.02914	3.2
79.05488	1.2
79.18379	0.2
81.03421	1.6
81.07066	3.8
83.04954	0.2
83.08636	0.6
85.02909	4.8
91.03960	3.2
91.05493	0.5
93.07073	0.9
95.08607	2.9
97.02894	5.2
97.06561	0.3
97.10171	0.4
99.04487	0.8
101.02383	1.5
103.03957	0.3
105.07060	0.4
105.48433	0.2
107.96907	0.3
109.02905	0.7
109.10180	0.8
115.03958	0.4
119.08634	0.7
121.10157	0.5
123.11759	0.5
127.03905	1.4
133.10176	0.4
135.11722	0.3
185.04298	0.9
203.05415	0.8
213.22096	0.2
217.46442	0.2
243.08438	1.6
337.27512	0.6
347.09427	1.4
363.09052	0.4
365.10455	1.1
405.13586	5.0
405.18790	0.3
521.30798	5.1
521.37921	0.3
683.36108	11.2
684.36316	1.1
801.54413	1.2
963.60144	100.0
964.60382	15.0
964.80481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.0
69.03439	2.0
69.70979	7.8
70.06580	4.3
76.45819	1.3
81.03413	2.5
81.05785	1.7
84.04469	1.4
85.02873	2.7
86.09714	2.6
91.05457	3.5
93.07059	4.7
94.06575	8.9
95.07346	5.3
96.08150	9.8
97.06506	2.1
98.22653	2.1
106.06537	1.5
107.07283	1.6
108.04479	2.7
108.08111	14.2
110.06004	2.1
110.09677	16.0
120.08105	13.1
122.06059	10.7
122.09662	2.8
124.07608	1.9
132.04488	2.9
132.08142	1.6
136.07552	12.4
138.09134	30.0
148.07552	5.7
150.09145	5.9
152.07048	3.8
160.03973	8.0
164.07047	3.0
166.08633	36.2
167.08961	2.4
172.03925	1.9
178.04869	2.2
190.04858	2.4
199.08669	3.8
204.06517	2.7
209.10703	1.6
211.08725	3.1
211.12338	3.3
212.09439	1.7
213.10223	4.7
223.08669	5.3
223.12279	1.7
225.10265	17.6
225.13844	2.0
226.10992	7.9
227.11714	5.1
235.08603	3.6
235.12077	2.0
237.10210	9.8
237.13907	3.2
238.10944	6.8
239.08139	7.2
239.11789	22.2
240.12462	5.2
241.13304	3.4
248.09406	2.1
249.10172	8.3
250.11011	10.5
251.08107	5.3
251.11829	23.1
252.12524	3.1
253.09705	10.5
253.13332	15.8
254.10442	9.3
254.13080	1.6
263.11780	18.1
264.12494	8.8
265.09729	13.7
265.13336	31.0
266.10477	5.1
266.13898	3.6
267.11307	11.9
268.11990	2.7
269.12894	1.6
271.10776	3.9
277.09711	4.0
277.13196	3.2
278.10263	3.7
279.11328	19.1
280.11877	1.7
281.12872	20.7
282.13342	3.2
283.11176	8.8
283.14404	7.7
284.11551	2.4
285.12332	22.7
286.12967	4.2
291.11270	5.9
293.12741	10.8
294.10141	2.2
294.13483	3.6
295.10803	2.6
295.14301	4.3
296.11621	6.0
297.12241	10.3
298.13046	4.9
299.13855	18.6
307.10672	3.7
309.12302	64.8
310.12814	6.6
311.13889	26.8
312.14508	2.6
313.15451	4.7
319.10760	2.4
321.12283	9.3
324.10779	3.5
325.11804	7.8
326.12595	2.1
327.13370	75.0
328.13733	3.6
336.14481	1.8
337.11761	16.4
338.12561	11.6
339.13455	16.6
341.15103	9.4
353.15079	2.7
356.13837	2.3
357.14456	6.7
358.15338	2.8
359.16144	7.3
360.16959	2.5
369.14420	34.7
370.15057	2.6
371.11462	2.9
371.15982	33.1
372.16690	2.3
400.16589	1.9
404.19724	2.6
405.14401	1.7
414.18555	2.0
416.19809	4.9
418.17282	2.3
429.16544	2.8
430.17572	4.2
432.19141	12.1
435.15259	2.2
442.17337	2.5
446.20657	2.9
448.18500	17.1
452.50638	1.8
453.16498	4.1
455.18280	1.9
460.18661	32.2
461.18814	3.3
462.20071	4.1
464.21649	1.9
471.17487	5.7
473.19135	2.4
474.20047	4.0
478.19687	2.5
480.21292	42.3
490.19751	3.3
491.20294	3.8
492.21301	100.0
493.21481	7.7
495.17773	2.2
513.18732	2.3
515.20105	2.4
522.22101	5.0
523.23273	15.3
524.23749	12.1
574.21075	2.2
588.22968	2.1
594.24170	6.6
595.25165	6.7
604.22589	2.5
606.24286	4.3
610.23999	2.9
613.26489	59.7
614.26520	6.5
618.24237	9.6
622.23096	1.8
624.25647	7.4
627.27686	3.4
636.25195	9.7
642.25830	3.2
645.29187	25.8
646.29480	3.3
653.25360	11.2
654.26550	12.2
685.28583	11.7
721.28522	2.6
725.31042	6.3
739.29901	1.8
743.32300	2.6
753.31158	3.6
757.30377	2.8
761.34625	1.9
771.31903	2.4
789.33679	2.0
807.33740	2.0
815.30768	1.9
884.45624	2.3
915.65942	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.6
69.03422	7.5
70.06593	29.6
71.30594	2.2
72.08155	12.5
81.07047	1.9
84.04501	2.8
84.08145	8.1
85.02908	6.7
86.09726	6.7
88.17548	2.2
91.05489	3.3
93.07027	5.3
94.06554	9.7
95.07352	3.2
96.08120	14.0
97.02911	4.4
99.84104	1.8
107.07346	2.2
108.08115	19.0
109.02914	4.0
110.09680	20.5
112.25281	1.9
120.08105	21.3
122.06043	7.8
122.09683	3.2
124.07570	5.7
127.03907	3.5
127.08623	1.8
128.37183	2.0
129.10249	2.8
132.08131	2.0
134.05974	2.5
136.07545	21.1
138.05627	2.1
138.09135	32.6
146.06026	2.4
148.07578	9.3
150.09131	7.4
152.07074	4.3
160.04007	4.7
164.07053	2.7
166.08640	53.4
168.10262	4.4
172.03853	4.7
177.07970	1.9
190.05045	5.1
195.88628	2.3
197.10696	2.2
204.06520	9.2
211.08699	4.1
211.12231	5.5
213.10246	6.3
223.08690	9.2
223.12181	4.7
223.65443	2.0
225.10202	38.0
225.13673	2.8
226.04192	2.1
226.11024	7.1
227.11830	13.7
235.12408	1.9
236.09398	2.6
237.10219	18.4
237.13824	3.3
238.10921	14.3
239.08192	4.3
239.11754	29.1
240.12598	8.1
241.13353	4.7
249.10172	3.5
250.10992	7.5
251.08116	11.3
251.11784	22.6
252.08604	2.4
252.12479	5.8
253.09605	17.4
253.13356	10.6
254.10478	7.9
254.13586	2.5
255.11247	4.5
257.12985	2.2
263.11749	10.0
264.08813	2.8
264.12573	6.1
265.09735	38.2
265.13330	24.8
266.10501	18.4
266.14240	5.3
267.11243	11.7
267.13983	1.8
267.14993	1.8
269.09241	2.3
269.12729	5.3
271.10764	5.9
273.12299	2.8
277.09854	2.1
277.13373	3.4
278.10526	4.0
279.11319	26.8
280.11978	2.6
281.12827	15.6
282.13232	3.1
283.10828	19.6
283.14267	4.7
284.11447	5.4
285.12320	48.7
286.12903	9.0
287.13815	3.1
291.11301	5.3
292.11832	2.5
293.12775	11.5
294.13669	2.6
295.10861	5.0
295.14484	6.1
296.11526	3.4
297.12262	22.5
298.13190	11.5
299.13904	24.5
301.15506	5.1
307.10739	7.0
309.12231	12.4
310.12991	5.8
311.13885	21.1
313.15454	3.4
319.10812	3.8
321.12338	7.4
325.11795	26.4
326.12442	10.0
327.13339	62.5
328.14029	3.9
337.11786	11.0
338.12552	15.7
339.13397	17.7
341.14932	5.2
345.14633	2.8
355.12964	2.5
357.14392	13.5
358.15152	7.1
359.15948	11.2
360.16806	3.2
363.15671	2.0
369.14444	3.1
370.15265	4.0
371.15948	7.0
372.16476	2.9
386.18759	1.9
390.18015	4.1
392.19992	2.1
400.16565	2.0
404.19888	2.8
411.15506	2.4
418.17401	9.5
422.21027	2.6
432.19080	7.7
444.19250	3.5
446.20837	4.0
448.18222	3.9
450.20123	8.6
451.20535	2.6
462.20364	4.8
464.21835	4.2
465.22409	4.2
466.23294	4.5
474.20105	5.1
478.19525	2.9
480.21140	7.7
490.19733	16.0
491.20447	23.3
492.21289	65.3
493.21378	6.5
509.21371	7.5
522.22192	10.0
523.23108	100.0
524.23798	66.9
525.24115	5.7
587.28418	2.8
595.25177	3.4
612.24689	2.7
613.26581	60.0
614.26526	5.9
618.23999	7.3
635.25214	2.9
636.25781	4.5
645.29187	59.0
646.29346	6.7
652.24963	2.9
653.25751	49.3
654.26532	27.9
655.25842	3.3
685.28296	52.6
686.29004	13.5
775.31213	6.6
827.74841	2.6
969.38916	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	969.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	10.8
70.06586	13.9
70.25448	10.7
70.25806	11.0
72.08151	13.8
72.63943	4.0
79.05466	6.5
81.03399	14.0
85.02895	9.1
86.09689	6.1
91.05464	12.6
93.07033	15.0
94.06562	31.4
95.04974	5.8
95.07329	19.4
95.08607	5.5
96.08138	35.8
97.02867	5.1
106.06567	6.2
107.07361	7.1
108.04472	11.0
108.08127	53.7
109.02865	7.7
110.06006	6.1
110.09683	52.0
117.03377	4.9
120.08113	59.8
122.06051	28.9
122.09646	16.1
124.07562	9.8
135.04414	6.1
136.07573	33.4
138.09135	76.5
146.06026	7.4
147.04364	5.0
148.07587	24.5
150.09126	19.2
152.07080	6.7
160.03979	19.9
163.03928	25.4
164.07027	7.0
166.08624	100.0
168.81847	5.4
175.03969	5.4
178.05081	6.6
186.09038	5.2
199.08624	5.7
204.06461	10.9
209.26237	4.5
211.08679	15.0
211.12318	9.6
213.10277	10.4
223.08727	13.0
223.12271	8.4
224.09203	5.4
225.10217	45.9
225.13683	5.6
226.10933	26.3
227.11794	27.4
235.08672	5.3
236.09364	10.4
237.10123	29.1
237.13852	7.0
238.11009	22.1
239.08081	20.9
239.11768	86.5
240.12485	18.0
241.13345	10.7
242.13684	7.9
248.09280	5.3
249.10301	24.7
250.10959	31.3
251.08116	11.6
251.11784	84.4
252.12459	22.9
253.09796	25.0
253.13316	73.7
254.10493	20.2
254.13892	8.6
255.11150	9.3
263.11804	45.0
264.12616	11.4
265.09711	34.7
265.13336	92.4
266.10413	13.5
266.13733	9.2
267.11334	51.5
267.14474	8.5
268.11896	7.8
269.12704	8.2
271.10782	7.3
275.11853	6.9
277.09726	7.2
277.13312	11.5
278.10434	11.1
279.11267	52.4
280.11865	10.7
281.12839	87.4
282.13220	9.0
283.10815	14.0
285.12268	29.3
286.12946	7.7
289.13147	7.6
291.11310	17.8
292.12253	7.5
293.09686	8.8
293.12793	46.6
295.11044	7.3
295.14322	12.8
296.11511	8.3
297.12280	20.7
298.13171	10.2
299.14099	30.3
302.13809	5.3
307.10785	7.0
309.12347	86.4
309.15759	3.6
310.12787	12.1
311.13922	56.8
312.14343	9.2
313.15271	9.2
321.12265	18.0
323.13849	6.9
325.11801	6.1
327.13330	62.5
328.13910	7.5
339.13376	24.2
341.14920	68.8
351.13528	9.7
353.15149	24.8
355.12610	6.5
357.14374	13.0
358.14935	5.7
359.15997	6.5
369.14539	46.6
370.15173	8.3
371.16113	32.0
381.14066	7.3
383.16241	9.1
399.15421	6.4
401.17004	7.1
411.15619	30.0
413.16910	18.7
414.17993	6.1
416.19543	7.3
417.14468	6.6
423.15103	7.4
425.17172	9.8
429.16577	18.4
430.17630	7.8
432.19153	10.7
435.15735	27.8
437.17059	7.0
441.16449	14.1
442.17374	10.2
443.18243	25.3
444.18961	6.4
453.16400	60.7
454.16434	6.6
455.17972	16.8
460.18555	10.9
465.15936	8.9
467.18042	13.8
471.17645	52.6
473.19229	15.1
474.20242	24.0
480.21075	9.5
483.17252	10.6
485.18768	7.2
492.21170	22.2
497.19125	14.6
503.19995	9.2
513.18494	25.8
515.20111	28.0
522.22150	20.7
531.19666	13.1
533.21069	12.8
534.22296	21.3
556.20605	11.8
562.21545	9.9
568.20819	7.3
574.21814	21.2
586.21649	19.9
588.23541	38.7
592.22675	21.8
594.24341	66.6
595.24835	8.1
600.23517	36.4
603.25940	7.1
604.22809	20.2
606.24304	70.3
610.23914	6.0
613.25800	6.5
618.14606	7.4
618.24310	76.1
619.24567	9.6
622.23584	14.1
624.25439	88.7
625.25995	9.0
631.25256	6.8
632.25653	9.8
636.25385	96.0
637.25665	6.9
642.26447	14.3
653.26202	6.2
654.26520	46.9
664.25012	10.5
675.28131	8.3
693.28748	20.6
707.30627	26.2
708.30200	9.4
711.29547	8.6
721.28802	30.2
725.31732	77.6
735.29840	6.1
739.29077	22.7
743.32050	20.2
753.31165	50.9
754.30994	7.3
757.30334	14.9
771.32507	23.7
789.32568	18.3
790.32751	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	11.5
69.07082	22.6
71.22405	8.2
79.05504	58.9
81.03407	9.0
81.07063	80.9
83.08619	15.2
85.02923	28.6
91.03970	22.7
91.05476	65.2
93.07043	86.4
95.08606	75.1
97.02913	17.1
105.07034	72.0
107.08595	53.8
109.10170	21.7
117.07020	18.1
119.08584	65.8
121.10165	44.0
123.11732	11.8
129.07063	10.5
131.08563	30.2
133.10126	56.0
135.11667	36.4
143.08612	15.0
145.04955	14.0
145.10124	43.9
147.11653	40.4
149.13309	13.2
157.10121	19.0
159.11700	25.2
161.13254	31.2
163.06030	12.6
171.11731	10.7
173.13301	23.3
175.14919	6.9
185.13283	12.0
241.19571	28.3
257.19125	12.7
259.20621	64.8
261.22110	10.6
333.24271	54.9
335.25803	100.0
336.25992	7.0
337.27170	9.6
460.28107	7.1
593.45422	15.5
611.46576	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	3.8
69.07064	28.4
71.04985	3.8
73.02916	6.5
79.05051	5.0
79.05496	50.5
81.03461	3.1
81.07058	74.2
83.04961	5.0
83.08619	10.2
85.02904	15.2
85.06519	4.7
91.03963	9.6
91.05486	36.7
93.07043	64.8
95.04971	8.5
95.08606	59.9
95.80117	2.9
97.02879	8.0
97.06532	10.1
97.10160	4.9
105.07032	33.3
107.08598	32.8
109.06492	5.4
109.10156	28.2
111.08083	4.9
117.07028	10.4
119.08572	24.7
121.10162	36.8
123.11731	7.3
127.03957	3.6
128.08223	2.7
129.07034	4.9
131.08600	16.9
133.10115	23.0
135.08069	4.8
135.11716	16.3
143.08621	4.3
145.04958	6.1
145.10123	13.2
147.11693	17.8
149.13268	9.1
154.06876	3.0
159.11688	9.7
161.13257	12.1
163.14830	8.1
169.10130	3.8
171.11720	7.3
173.13315	8.3
175.14821	4.3
241.19528	9.3
243.21173	3.9
259.20523	25.4
261.22098	9.9
277.21649	22.6
333.24304	19.3
335.25800	100.0
336.26324	4.0
351.25275	45.3
352.25720	3.0
489.35837	4.0
492.70331	3.3
537.42615	3.1
611.46716	62.8
612.46478	5.6
629.47845	5.1
630.91528	3.1
970.57574	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	5.2
69.07072	15.0
71.04997	3.2
73.02918	5.7
74.42335	1.3
77.09531	1.2
79.05492	55.4
81.03410	2.6
81.07057	63.0
83.04988	3.2
83.08616	8.0
85.02908	18.1
85.06562	2.8
91.03952	12.1
91.05480	44.4
93.07046	56.7
95.05010	4.9
95.08608	48.4
96.08975	1.7
96.72076	1.3
97.02886	12.3
97.06548	5.7
97.10195	3.8
98.23003	8.5
99.04448	1.6
99.08121	1.9
101.02349	1.3
103.05474	1.5
105.04559	2.7
105.07028	38.1
107.08598	32.5
107.09277	2.2
109.02863	1.9
109.06553	4.6
109.10154	19.8
111.08115	3.5
115.03943	1.6
117.07027	10.0
119.08578	30.7
121.10149	27.6
123.08064	2.4
123.11736	5.5
125.09663	1.9
127.03958	4.0
129.05482	1.6
129.07001	6.3
131.08569	22.2
132.08926	1.5
133.10136	21.0
135.11696	19.5
137.09618	1.5
139.11197	1.7
143.08641	4.9
145.05038	3.1
145.10120	17.7
145.11092	1.4
147.11678	18.0
149.09615	1.9
149.13222	10.9
155.08730	1.6
157.10175	6.4
159.11700	12.5
159.53114	1.2
161.13264	12.2
163.06097	3.5
163.11241	2.7
163.14835	2.2
165.12875	1.4
171.11783	5.5
173.13237	8.4
175.14928	5.8
177.12846	2.3
182.29341	1.2
183.11867	1.6
185.13332	5.1
187.14807	9.2
199.14897	3.8
201.16446	2.6
203.14380	1.5
203.18109	1.4
205.15959	3.0
228.85555	1.4
231.21233	2.2
241.19481	7.3
243.21165	3.1
257.19186	1.8
259.20602	22.7
261.22128	6.4
277.21646	17.0
333.24234	18.4
335.25800	100.0
336.26242	5.9
337.27283	2.6
351.25296	34.6
352.25900	2.9
529.39172	3.1
571.43658	2.2
593.45581	2.4
611.46686	38.1
611.56299	2.2
612.47144	4.6
629.47760	2.2
713.34064	1.4
714.34448	2.2
970.57837	57.8
971.57574	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	973.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72920	1.9
69.73266	2.9
71.85516	0.9
98.22704	1.6
106.72945	1.0
107.38406	1.0
248.72231	1.1
303.21713	1.1
321.22736	5.7
339.23859	1.0
344.24582	1.2
407.84528	1.0
457.22971	1.1
539.31903	100.0
540.32397	6.9
962.72107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	2.0
68.97224	0.3
69.07069	6.5
71.08632	0.7
71.30486	0.3
72.04501	0.9
79.05067	0.5
79.05495	7.7
80.05013	1.2
81.03403	0.4
81.05803	0.3
81.07056	9.9
82.06581	5.1
83.04971	0.6
83.08619	4.0
84.08118	0.4
85.10203	0.6
86.06060	1.6
91.04966	0.4
91.05479	4.8
93.07044	5.0
94.06573	2.3
95.04964	0.9
95.07353	0.5
95.08607	8.0
96.08132	1.0
97.06561	0.5
97.10157	1.8
98.06030	1.3
100.07597	1.4
104.72739	0.3
105.04536	0.3
105.07036	2.3
107.08603	2.5
108.08105	0.6
109.10154	2.4
110.09697	0.3
111.11691	0.5
112.07632	0.6
114.09151	0.4
119.08598	2.2
121.10133	2.7
122.09673	0.9
123.11716	0.8
133.10144	1.5
135.11707	1.3
137.09543	0.3
140.10728	0.6
147.11630	0.5
156.17621	0.3
161.13318	0.3
182.19011	0.3
191.17966	0.7
234.22136	0.3
241.62210	0.3
245.22604	1.2
250.25307	6.3
251.25771	0.5
260.23804	0.3
262.25293	2.9
263.23669	0.9
280.26343	100.0
281.26682	4.0
298.27411	12.8
299.27692	0.4
341.64114	0.3
575.12561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24876	13.0
69.25275	7.3
81.07064	3.4
84.02420	3.1
258.34464	3.2
616.49561	4.7
829.39246	3.4
975.54535	100.0
976.53607	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	975.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24153	1.6
69.24561	5.1
100.84449	0.9
112.49294	1.0
113.10088	0.9
126.49985	1.0
137.71660	0.9
409.84097	0.9
510.95895	1.0
515.42963	1.0
524.45306	1.0
620.76593	1.2
697.32355	2.0
711.37347	1.0
975.54370	100.0
976.54602	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95250	0.6
71.54895	0.4
84.63905	0.4
94.45511	0.5
97.75996	0.4
162.38548	0.5
207.73535	0.4
259.17133	0.8
351.25168	0.5
424.31229	0.5
697.31854	2.6
975.54419	100.0
976.54657	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.5
69.07072	0.4
71.01363	0.5
71.04995	0.3
73.02921	2.1
75.73256	0.2
79.05500	1.9
81.03445	0.7
81.07059	1.5
85.02902	3.3
91.03959	2.1
91.05473	2.1
92.89957	0.2
93.07034	1.6
95.05001	0.5
95.08633	1.0
97.02892	3.3
98.23425	0.5
99.04466	0.5
101.02380	0.8
103.03991	0.3
105.07063	0.8
107.08607	0.8
109.02872	0.4
109.10195	0.3
117.07018	0.4
119.08584	0.6
121.10161	0.5
127.03964	1.1
133.10194	0.7
145.04979	0.3
145.10141	0.4
147.11746	0.4
153.00642	0.3
185.04335	0.6
201.03613	0.3
203.05405	1.0
224.14645	0.2
243.08522	1.3
245.06390	0.3
245.81145	0.3
253.75725	0.3
259.07803	0.4
301.09137	0.5
305.08554	0.4
329.08719	0.3
335.59451	0.3
342.98633	0.3
343.04703	0.3
347.09402	2.9
363.08890	1.2
365.10767	1.1
405.13708	5.2
405.18829	0.4
442.07007	0.3
463.14572	0.7
475.14285	0.4
477.15836	0.4
503.16354	0.3
519.29156	1.5
535.28967	1.1
627.25903	0.4
681.34534	5.3
682.34918	0.5
697.34052	6.0
813.51166	0.4
905.48608	0.4
975.56451	100.0
976.56775	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.9
69.57891	1.9
71.01346	0.5
73.02925	2.2
79.05486	2.1
81.03423	0.8
81.07069	1.6
85.02901	3.4
91.03976	1.6
91.05508	1.4
93.07055	1.3
95.08638	1.5
97.02898	3.3
98.22681	0.8
99.04452	0.6
101.02410	1.0
107.08623	1.0
109.02905	0.7
109.10207	0.6
121.10182	0.8
127.03954	1.0
133.10187	0.4
133.92717	0.4
138.42290	0.4
161.08205	0.4
185.04323	0.6
203.05486	0.6
243.08516	0.6
258.31448	0.4
305.08850	0.4
320.98407	0.4
347.09305	1.9
363.08899	0.7
365.10742	0.9
385.25266	0.4
386.53555	0.4
405.13614	4.3
519.29236	1.8
535.29108	1.1
565.85468	0.4
633.98352	0.5
681.34442	8.3
682.34692	0.6
697.33698	3.2
813.51123	0.7
975.56409	100.0
976.56604	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	18.9
69.07074	20.4
70.06601	3.2
71.05013	6.3
73.06579	4.0
79.05509	25.0
81.03433	15.8
81.07063	10.3
83.04987	66.4
85.02901	27.1
91.05487	35.0
93.07050	29.5
95.04977	21.7
95.08636	7.0
97.02917	13.7
97.06530	45.1
98.23319	5.4
99.04460	9.0
103.05462	5.2
105.07040	74.8
107.04965	13.8
107.08614	19.5
109.02911	8.0
109.06534	9.1
111.04449	2.9
111.08042	3.0
115.05471	7.8
117.07028	14.7
119.04941	8.6
119.08603	12.0
121.02873	35.3
121.06510	44.0
121.10165	6.0
125.05991	69.7
127.03944	7.8
128.06226	7.6
129.07043	12.0
130.07817	8.3
131.08556	30.8
133.06502	12.3
133.10153	9.0
135.04405	10.2
135.08078	6.1
137.06012	5.3
141.07014	8.2
142.07780	5.2
143.07053	38.8
143.08577	11.9
144.09346	7.9
145.02876	4.1
145.06493	12.2
145.10129	100.0
146.07225	3.4
146.10548	3.1
147.08090	7.4
147.11708	5.5
151.07568	9.8
154.07788	6.6
155.08614	6.6
156.09274	3.1
157.10182	6.8
158.07304	18.4
159.08055	18.0
159.11684	30.4
161.09695	6.5
163.03909	4.6
163.11179	13.8
165.07065	2.9
169.10152	12.1
171.08052	4.8
171.11758	3.5
172.08835	7.1
173.09622	59.2
177.12802	7.8
179.08531	5.8
187.11182	58.9
189.01904	7.9
189.12766	4.7
191.03383	4.1
191.10701	26.6
197.09634	8.9
199.11311	3.8
203.03419	9.6
203.10625	3.3
205.04874	3.7
205.12244	32.7
209.11786	10.3
215.03447	4.0
215.10689	49.1
217.04988	4.1
219.03026	3.1
221.11864	4.6
233.04567	3.3
233.11740	29.3
251.12883	14.5
267.06476	2.8
279.06775	4.4
283.06006	15.1
293.08014	4.5
294.05167	13.4
295.06009	38.5
296.06540	3.0
297.07504	8.0
305.08133	4.9
307.06024	51.7
307.09348	4.8
308.06729	15.0
309.07578	22.7
313.06998	16.5
319.06015	10.4
321.07568	33.2
323.09271	3.6
325.07089	15.7
333.07599	16.4
335.05542	4.6
335.09167	10.0
337.07068	62.1
338.07352	3.5
339.08789	4.3
345.07596	8.1
347.09128	7.7
349.07043	41.1
351.08636	8.2
361.07004	23.3
363.08752	13.9
367.08145	12.1
373.07040	7.3
375.08557	10.3
377.16019	3.3
379.08069	27.2
385.09430	5.1
387.08533	4.4
391.08188	25.3
403.08041	12.7
409.09134	11.5
411.10861	3.2
413.18060	24.2
415.07953	5.7
421.09351	9.5
427.10480	13.4
433.09259	8.6
439.10413	13.7
445.08945	4.1
457.11093	11.2
463.10260	7.0
475.12259	11.9
481.11240	15.6
493.11310	5.1
511.12329	16.7
529.13135	5.6
547.14740	6.4
605.19806	4.6
611.18573	4.6
629.20087	4.7
641.20056	6.2
651.24530	4.2
659.21014	8.3
661.22687	4.5
671.21558	4.7
677.22699	14.1
689.21582	5.9
695.22821	13.7
707.22858	11.5
713.22510	4.8
725.24158	37.3
726.24219	5.3
731.23120	12.6
732.24091	3.5
743.23578	6.6
749.24194	42.2
750.24103	5.5
761.23761	12.1
775.26886	3.2
779.25543	20.4
791.24365	4.0
797.26630	31.2
798.26190	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	977.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03700	1.0
77.37540	0.9
95.08575	1.0
98.23442	2.2
99.78905	1.0
129.63423	0.9
130.77303	0.8
265.84161	1.1
275.83478	1.0
316.45853	0.9
409.29892	1.0
715.67902	1.1
977.56012	100.0
978.56256	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	978.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	6.1
70.06585	3.0
70.34145	1.0
71.08611	1.3
72.65217	0.4
74.06084	2.0
79.05460	0.5
81.07061	3.9
83.08617	5.8
84.08157	0.5
84.11295	0.4
85.10207	0.8
95.08593	3.9
97.10172	3.8
98.09610	0.4
109.10146	2.8
111.11725	1.4
123.11715	0.5
165.04999	0.3
176.41350	0.4
176.50960	0.4
217.49751	0.4
245.01640	0.4
248.05780	0.4
266.28430	20.1
267.28772	1.2
284.29459	9.8
285.29697	0.4
302.30521	100.0
303.30850	6.4
460.61914	0.4
552.15552	0.4
904.75195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14470	19.7
70.06596	3.6
79.05492	3.5
85.02910	8.4
91.05495	4.7
93.07064	9.3
94.06560	13.2
95.04996	2.4
95.07351	8.5
96.08150	18.5
97.02875	3.5
98.23349	4.3
98.89235	2.0
103.05486	2.9
106.06544	4.6
107.07379	4.9
108.08112	22.5
109.02817	3.2
109.08906	2.5
110.06050	7.4
110.09676	31.3
120.08099	29.5
122.06065	14.2
122.09651	16.5
132.04369	2.4
134.06036	9.7
136.07547	13.7
138.05553	4.2
138.09142	97.3
148.07607	6.1
150.09146	6.7
152.07042	6.2
160.03932	6.2
164.07095	10.5
166.08632	28.2
174.09113	3.5
197.10689	2.8
204.06581	2.9
211.08582	2.5
211.12201	4.3
212.09384	3.2
213.10197	4.9
213.13757	2.8
223.08678	6.4
224.12962	3.1
225.10173	17.4
226.10934	10.0
227.08159	3.4
227.11784	8.5
228.08983	2.3
236.09427	4.9
237.10161	10.6
237.13756	5.0
238.11009	6.7
239.08022	10.6
239.11702	18.1
240.08778	3.1
240.12378	7.9
241.09753	5.6
241.13460	4.3
242.10603	7.6
248.09407	4.8
249.10190	9.5
250.10916	12.3
251.08127	7.3
251.11813	27.0
252.08769	2.8
252.12511	7.0
253.09711	14.7
253.13374	14.8
254.10448	13.3
255.11310	10.1
263.11810	26.1
264.12524	9.4
265.09814	10.2
265.13315	28.9
266.10504	5.5
266.14096	3.6
267.11255	14.4
267.14697	2.9
268.11951	4.4
269.12863	7.3
270.09998	4.3
271.10764	5.5
277.09750	6.5
278.10486	4.4
279.11285	17.9
281.12875	19.4
283.10812	12.4
283.14267	4.9
284.11649	3.1
285.12354	17.3
286.13068	3.4
286.65521	2.3
287.13962	6.0
291.11273	8.1
292.12170	3.6
293.12784	15.6
295.10849	5.7
295.14169	3.6
296.11591	8.5
297.12360	18.8
298.09824	3.3
298.13080	5.3
299.13931	16.5
301.11713	2.7
309.09406	2.3
309.12311	62.7
310.12881	6.1
311.10318	4.7
311.13824	31.5
313.11795	12.7
314.12564	5.0
315.13535	11.7
319.10675	5.7
321.12210	8.2
323.10251	2.8
325.11853	8.3
326.12671	3.3
327.13416	67.3
328.13708	5.7
337.11823	15.8
338.12589	8.4
339.13269	16.5
341.11377	5.1
341.14905	11.9
342.12027	2.7
342.15909	2.9
343.12881	35.0
351.13214	3.2
355.12778	3.9
355.16592	2.5
356.13647	4.5
357.14490	6.4
359.15985	10.3
369.14438	72.7
370.14905	9.3
371.16092	49.7
372.16669	3.3
373.13968	19.6
374.14597	4.3
375.15555	5.6
410.21619	2.4
416.19870	3.1
418.17401	3.4
430.17310	5.6
432.19138	9.9
436.18591	4.0
446.16928	7.0
448.18256	5.3
458.17078	4.3
460.18671	13.8
464.17746	15.3
472.18979	3.1
474.19772	4.2
476.18079	10.2
478.19717	6.7
480.21344	15.4
481.21384	2.8
490.19772	29.8
491.19562	3.9
492.21320	62.7
493.21579	5.0
494.19168	2.2
496.20758	100.0
497.20920	7.3
508.20837	75.1
509.21002	8.4
522.22388	4.4
523.23004	2.6
524.23608	4.8
536.20026	11.3
538.22253	3.2
583.25464	9.2
601.26288	4.0
611.25208	23.0
615.28021	29.0
622.24329	2.7
629.26276	19.9
630.27032	2.5
633.29034	18.1
634.23145	2.6
643.27423	32.4
644.27521	4.3
652.24976	3.8
653.25360	3.0
654.26404	2.8
656.27899	2.9
661.28638	56.4
662.28796	10.9
670.25574	5.2
698.25250	8.3
741.30353	3.5
760.47211	3.0
777.34021	3.3
823.33197	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	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	7.6
69.06718	4.1
69.07064	25.4
71.05006	3.4
71.30087	4.1
73.02918	5.8
79.05494	69.0
79.23954	2.1
81.03439	7.6
81.07055	69.6
83.04997	5.0
83.08621	13.9
83.16116	2.6
85.02898	17.9
85.06567	4.5
87.92278	2.6
89.78027	2.3
91.03944	6.5
91.05485	54.7
91.18894	2.3
93.07042	64.1
93.08339	2.5
94.07367	3.2
95.04977	9.4
95.08607	50.1
97.02903	11.5
97.06558	6.8
97.10179	8.8
99.08071	4.2
99.59925	2.8
105.04488	3.5
105.07028	50.8
106.07256	2.7
107.04958	4.7
107.08601	38.3
109.06501	4.8
109.10164	26.1
111.04479	3.0
113.09665	2.9
115.05484	3.1
117.07006	19.2
119.08578	37.9
121.06505	3.2
121.10165	19.2
123.08076	4.6
123.11721	9.1
125.09651	7.9
127.03922	5.4
128.06265	3.7
129.07021	11.1
130.07808	3.7
131.08568	28.4
133.10144	21.3
135.08107	4.1
135.11711	16.1
143.08604	12.4
143.10747	2.7
145.04951	5.2
145.10143	23.8
147.11671	20.4
149.09625	6.3
149.13269	7.6
155.08527	4.3
157.10193	9.0
159.11682	23.4
161.13269	9.2
163.11201	4.6
169.10121	5.4
171.11679	5.9
173.13284	11.3
183.11685	6.2
185.13266	15.7
189.11217	3.8
197.13251	6.8
199.14977	3.3
200.46606	2.8
203.14223	3.2
215.17764	3.2
219.17397	5.9
221.44063	3.2
227.12773	19.4
239.18073	8.3
243.21210	5.4
255.15816	3.0
257.18973	21.8
259.20639	7.1
261.22144	9.8
269.17548	8.2
275.20059	50.1
276.20477	5.3
293.21252	5.7
331.22531	6.8
333.24356	4.7
335.25797	100.0
336.26218	7.0
349.23709	62.9
350.24063	2.9
354.86804	2.9
489.35153	3.9
522.60583	2.7
529.38721	13.5
535.41095	4.0
559.38947	3.0
569.41937	3.7
589.19427	3.2
609.35199	4.7
609.45013	69.2
610.45209	9.9
627.46320	12.3
753.19519	3.3
986.55225	3.7
987.58716	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	987.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45213	1.3
70.06580	3.3
70.86227	3.7
79.05492	2.1
80.04999	1.6
82.06576	2.0
93.07031	3.4
94.06577	4.9
95.05007	1.6
95.07355	3.8
96.08169	6.9
108.04491	2.8
108.08126	9.9
110.06046	14.2
110.09675	13.5
116.48283	1.4
120.04359	1.4
120.08115	10.5
122.06030	2.3
122.09692	2.8
124.07603	4.4
132.04448	1.7
136.07585	9.3
138.09134	17.5
140.07094	1.4
148.07581	5.1
150.09151	4.1
152.07077	4.2
160.03940	10.0
164.07103	7.1
166.08636	28.1
172.03989	2.2
178.04988	2.2
199.08702	2.2
211.08623	2.2
211.12358	2.9
211.19362	1.3
213.10248	2.6
223.08630	2.3
223.12323	1.8
224.13011	1.9
225.10226	9.1
225.13777	2.1
226.10966	6.6
227.11842	4.1
235.08603	2.6
235.12079	1.9
236.09340	2.1
237.10211	5.7
237.13853	3.8
238.10970	5.3
239.08223	7.2
239.11797	19.9
240.12517	8.2
241.13365	1.6
248.09264	3.0
249.10286	5.9
250.10956	7.6
251.08116	2.4
251.11763	21.6
252.09004	1.3
252.12473	6.3
253.09770	3.3
253.13322	14.7
254.10475	13.9
263.11774	23.5
264.12540	8.1
265.09787	6.6
265.13382	23.6
266.10611	3.4
266.13840	3.7
267.11230	14.6
267.14053	1.6
267.15186	1.4
268.12106	2.9
271.10962	2.3
277.09641	5.1
277.13306	1.2
278.10529	5.1
279.11261	9.5
280.11697	2.1
281.12830	21.7
282.13434	3.4
283.10849	3.5
283.14423	6.8
285.12289	12.9
286.13135	3.0
291.11301	6.3
292.11914	2.3
293.12769	10.5
295.10773	4.7
295.14429	3.7
296.11505	10.4
297.12338	10.8
298.13101	3.1
299.13910	17.0
307.10919	3.2
308.11230	1.3
309.12326	76.8
310.12827	6.1
311.13855	25.7
312.14331	2.4
313.11887	3.2
313.15414	1.5
319.10760	6.0
321.12350	6.0
325.11819	4.8
327.13367	88.0
328.13757	5.8
337.11838	26.3
338.12350	4.3
339.13400	14.2
340.13815	1.9
341.15002	10.1
351.13354	2.3
353.14896	2.6
357.14450	4.4
358.15112	2.2
359.15887	8.9
369.14453	72.8
370.14706	5.9
371.16000	53.2
372.16217	3.8
375.15692	2.6
411.15448	2.0
420.19308	1.9
422.20804	4.1
430.17520	2.3
434.20551	3.2
448.18521	9.6
453.16409	2.9
454.16870	1.5
460.18240	1.7
466.19662	27.7
467.20422	2.4
471.17514	3.7
473.19080	2.0
478.19733	37.0
478.26620	1.2
479.19852	3.0
492.21320	18.8
493.21133	1.8
498.22302	44.0
499.22519	4.9
510.22345	100.0
511.22708	11.3
513.18518	2.6
515.19751	2.4
531.19745	2.6
533.21191	2.0
540.23444	1.6
574.21509	1.5
587.28668	2.7
606.24365	4.4
610.23914	2.0
612.24957	2.7
613.26727	8.0
614.26373	2.2
617.30121	2.2
618.24384	6.8
622.23743	2.3
631.27606	68.4
632.27924	9.4
640.24774	2.8
642.26691	8.4
645.28857	3.7
654.26801	12.6
663.19891	2.2
663.30225	34.3
664.29907	4.4
672.27838	6.8
682.25165	1.9
743.31885	3.4
757.30353	2.8
771.31561	1.8
775.31024	2.5
807.33954	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	987.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.9
69.50205	0.6
70.06599	6.3
71.29840	1.3
72.08159	1.5
75.73370	0.6
79.05469	0.8
80.05044	1.0
81.03419	1.1
82.06581	1.4
84.04501	1.1
84.08146	1.5
85.02921	1.8
86.09712	3.0
91.05436	0.9
93.07050	2.2
94.06585	4.4
95.04947	0.6
95.07357	2.0
96.08124	6.3
103.05476	1.0
106.06559	1.5
108.04464	1.7
108.08121	9.9
110.06057	5.2
110.09682	10.2
120.04504	1.4
120.08112	9.4
122.06052	2.9
122.09691	0.9
124.07587	8.4
129.10219	1.3
134.06036	1.3
136.07581	8.2
138.09134	17.4
145.81358	0.7
146.06042	1.2
148.07599	4.7
148.17148	0.7
150.09161	2.0
152.07103	2.9
154.08669	0.7
160.03960	3.3
160.07651	0.7
162.05505	0.9
163.03978	1.0
164.07053	1.2
166.08644	31.1
167.09067	1.2
168.10220	2.0
172.03941	3.3
174.09085	1.2
177.05539	1.1
187.08655	0.9
190.04941	4.6
204.06635	3.7
211.08643	0.8
211.12285	1.9
212.12921	0.9
213.10312	2.5
220.09964	0.9
223.08734	3.7
223.12451	1.6
224.09204	0.7
225.10210	10.4
225.13814	1.1
226.11035	2.8
227.11710	4.7
235.12419	0.7
236.09537	0.7
237.10162	6.7
237.13817	1.1
238.10851	3.9
239.08162	2.3
239.11823	10.1
240.12636	2.3
241.13426	0.7
244.72507	0.6
248.09410	0.8
249.10323	2.0
250.11150	2.5
251.08191	3.0
251.11763	9.0
252.12486	2.2
253.09666	5.7
253.13390	6.3
254.10503	3.6
254.13528	0.6
255.11253	1.3
255.15009	1.0
263.11847	3.8
264.08960	2.0
264.12424	1.7
265.09784	10.7
265.13406	7.9
266.10559	5.5
266.13855	1.3
267.11267	6.8
267.14108	1.0
268.12228	0.8
269.12799	1.7
271.11038	1.4
271.14276	0.9
273.12411	2.5
275.12012	1.4
276.12714	0.9
277.09955	1.1
277.13440	1.3
278.10602	1.6
279.11304	10.6
280.11966	1.1
281.12842	10.3
282.13391	1.0
283.10846	4.4
283.14465	5.1
284.11615	1.9
285.12323	14.1
286.12888	2.3
287.13745	1.2
289.15503	1.4
291.11298	3.9
292.12054	0.9
293.12860	7.4
294.13397	0.8
295.11072	1.3
295.14499	3.9
296.11417	1.8
297.12296	10.2
298.13150	1.9
299.13910	7.8
300.14481	0.9
301.15448	3.4
307.10812	3.0
307.16614	2.6
309.12311	8.6
310.13065	2.0
311.13892	8.6
312.14377	1.0
313.15750	1.0
319.10751	1.9
321.12415	3.6
325.11829	19.3
326.12527	2.5
327.13403	28.5
328.13928	2.5
337.11874	11.7
338.12671	2.9
339.13388	7.9
341.15067	1.7
343.13052	1.0
344.17627	0.9
355.12982	1.3
357.14639	4.8
358.15634	1.1
359.16040	4.2
369.14584	2.1
370.15018	1.4
371.16095	3.6
372.16925	1.2
385.14053	2.9
386.18866	0.9
388.16467	0.9
418.17636	2.2
430.17194	0.8
432.19089	0.9
446.21024	3.4
448.18228	1.7
450.20496	2.9
451.20795	1.4
460.18976	1.6
462.20145	1.2
463.21188	1.0
464.18292	2.6
466.19684	13.4
472.18762	2.5
474.20309	4.9
478.19873	3.6
487.17245	1.0
490.19766	5.6
491.20624	2.4
492.21158	4.7
498.22900	3.6
506.23380	0.9
509.21667	1.0
510.22354	1.1
512.23547	0.8
522.22314	5.9
523.23029	13.1
524.23962	14.2
525.24408	1.1
613.26526	9.8
614.27148	1.3
631.27600	100.0
632.27899	9.8
645.28833	1.5
652.24689	1.1
653.25189	3.8
654.26202	1.7
663.30243	34.9
664.30524	3.2
684.28033	0.9
685.28534	7.8
686.29059	2.2
775.31665	1.8
793.32495	2.7
987.52905	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	987.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	11.8
69.25657	0.6
69.26063	1.7
71.08629	2.6
74.18750	0.4
75.24865	0.3
79.05467	1.3
81.07059	2.5
83.08622	8.9
85.10162	1.2
88.19007	0.3
93.07022	1.2
95.08604	2.3
97.06518	1.0
97.10174	7.3
100.25412	0.3
107.08550	1.0
109.10126	0.7
111.08073	0.8
111.11742	2.0
115.03691	2.4
120.96597	0.9
121.10120	1.4
125.09612	0.6
125.13237	0.6
135.11705	0.6
149.13284	0.5
176.99254	4.8
195.00302	100.0
196.00644	0.9
196.72108	0.4
213.00006	0.5
231.01556	0.3
236.94141	0.8
241.16315	0.3
247.33925	0.4
254.95131	1.5
269.03979	0.6
292.96750	0.6
311.25803	10.6
312.26373	0.5
316.12933	0.3
333.24051	0.4
351.24875	0.5
385.55606	0.4
413.20889	0.7
487.24295	1.0
505.25372	51.6
506.25839	4.1
585.20422	0.4
803.41595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27666	1.8
71.28173	2.0
75.42900	1.9
80.09350	2.1
81.03403	2.8
82.06578	23.6
84.04500	17.7
84.08144	4.4
96.04501	15.8
98.06055	5.7
102.05526	1.8
109.02882	2.0
110.06006	3.2
116.07104	6.5
118.10773	2.0
126.05499	22.9
128.07077	100.0
129.06593	4.0
130.05016	6.1
138.04428	4.2
138.05499	82.9
139.05846	2.8
144.06551	18.4
145.09698	2.0
153.10272	3.7
168.06537	16.0
170.18674	1.9
173.09224	94.4
181.09793	4.1
186.07646	13.3
193.09697	3.8
204.08684	5.4
208.29646	2.1
211.10580	1.9
238.11940	3.3
239.10269	19.4
244.12836	3.2
255.92151	1.9
257.11505	3.7
284.12366	8.1
298.99023	1.9
301.13916	6.2
302.13443	45.5
329.13458	8.3
333.17694	12.4
372.31494	2.0
373.17252	13.0
427.18170	2.5
445.19110	9.0
462.21942	22.9
516.23096	9.4
532.21399	2.4
591.90283	2.1
605.27728	6.3
630.25635	9.4
683.27979	3.0
701.29718	25.4
702.29028	2.9
790.34729	18.5
904.37036	5.6
993.42059	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	996.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06727	0.4
69.07071	4.1
69.12663	0.4
69.13068	1.3
70.30961	0.2
73.54960	0.2
77.77185	0.3
79.05499	0.2
81.07040	0.9
83.08617	2.7
91.05479	25.3
92.05824	0.3
95.08599	0.7
97.10165	2.4
98.22554	0.4
105.07027	3.8
109.10157	0.3
111.11710	0.7
117.07016	2.9
119.08581	0.7
120.78424	0.2
125.13217	0.2
131.08562	4.3
133.10159	0.4
145.10120	0.5
167.33203	0.2
188.89511	0.2
260.23676	0.3
302.28412	82.0
303.28894	5.0
318.30026	0.7
319.30426	0.5
320.29468	100.0
321.29791	5.6
440.06482	0.2
467.72812	0.3
880.57336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11681	0.6
69.12083	2.5
71.07373	2.9
86.09703	28.7
94.92947	0.3
98.98468	2.5
104.10751	3.1
125.00007	21.0
184.07336	100.0
185.07628	1.2
210.78929	0.3
316.72925	0.4
373.31262	0.3
502.32822	2.3
520.33984	18.9
521.34003	0.9
770.42694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05501	7.1
81.07064	20.8
83.08623	5.0
84.19691	1.5
91.05482	4.5
93.07031	7.7
95.08599	14.0
97.10178	2.3
98.06013	2.0
98.23386	3.2
98.98488	6.5
104.10722	2.0
105.07009	3.0
107.08601	3.7
109.10184	6.4
111.65955	1.5
116.88534	1.5
119.08579	2.7
121.10162	4.9
123.11662	2.1
124.93793	9.0
133.10133	4.1
135.11850	1.5
142.94853	3.9
147.11734	2.2
151.14847	1.6
154.05830	1.6
155.01070	4.5
161.13283	1.8
167.98000	5.4
198.05080	1.7
198.97508	3.4
216.06300	2.6
263.23703	5.8
298.70743	1.5
306.27914	9.8
337.27353	100.0
338.27841	7.3
366.57013	1.9
417.23804	3.6
460.28296	26.3
461.20331	19.9
462.20633	1.9
478.29315	29.5
479.21387	2.0
522.25604	28.2
523.26685	2.0
625.24493	1.6
648.63385	1.9
877.41449	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	1001.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46409	6.8
71.01384	7.7
85.02958	3.2
87.00874	2.3
89.02446	7.9
95.01360	1.2
99.04534	1.6
101.02445	5.7
103.00425	0.9
104.05122	1.1
106.06575	1.0
108.04545	1.2
113.02441	4.9
119.03522	2.9
120.04555	3.2
120.08227	2.2
120.86063	1.0
122.06107	3.4
134.02437	0.9
134.06134	5.7
135.04510	1.5
140.07170	4.0
146.02457	1.1
148.04033	1.3
150.05582	5.7
152.07182	2.0
161.04720	0.9
164.03455	1.5
174.02031	1.1
175.04045	1.3
179.05717	1.6
205.80775	1.0
211.08684	1.3
223.08833	1.8
224.09526	1.3
225.06686	2.1
225.10269	2.8
226.07353	2.8
227.08253	1.4
227.11829	1.0
237.06729	1.9
237.10342	3.4
238.07460	6.6
239.08330	4.8
239.11922	2.4
240.09007	1.2
241.09879	2.4
249.10403	2.0
251.08205	4.5
251.11917	1.8
252.05312	1.2
252.08923	2.7
253.06154	2.4
253.09811	3.5
254.10545	1.1
255.11441	2.0
262.07562	1.3
263.08209	2.4
264.08890	2.6
265.06210	2.6
265.09827	4.1
266.06973	17.5
266.09885	2.0
267.07788	6.7
267.11316	3.3
268.08411	1.6
271.11023	1.1
276.08969	1.4
277.09753	5.0
278.07065	2.1
278.10452	2.1
279.07767	8.0
279.11374	5.8
280.08496	9.1
280.11298	1.4
281.09369	6.4
285.09088	1.3
291.11282	1.6
292.08569	2.2
293.09393	5.8
294.10120	6.5
295.10782	12.4
296.11426	1.9
297.08716	1.0
298.09583	3.0
299.10236	4.0
300.11087	1.5
305.09125	2.1
306.06439	1.2
307.07254	2.6
307.10818	1.5
320.07892	2.1
321.08859	8.1
322.09491	5.3
323.10141	2.7
324.10712	1.0
326.12726	1.0
337.11670	1.1
338.09116	1.7
339.09778	2.3
340.10510	2.2
353.11478	10.9
354.12247	15.4
355.12988	2.3
368.14169	1.1
370.15732	1.3
372.17267	1.2
373.17810	1.5
384.17105	2.2
388.12610	1.2
390.10620	1.5
396.17007	1.4
406.14200	4.0
408.15573	1.0
425.17365	1.4
428.16089	1.4
433.16391	2.9
434.17233	3.6
438.16495	1.6
446.13202	1.1
448.15115	2.6
458.17487	1.3
461.16000	5.8
462.16553	4.0
469.16406	1.8
470.17096	1.3
480.17728	1.4
492.17908	2.2
493.18631	15.2
494.19321	8.8
512.19977	1.1
521.25256	1.4
528.13110	1.2
626.23529	1.2
667.22644	1.3
682.26044	2.2
698.24518	1.2
721.30756	1.7
741.05969	1.1
745.30914	3.3
763.31787	1.4
767.31403	1.7
777.30438	1.2
789.29883	24.3
790.30951	4.9
803.31476	2.9
807.30969	17.5
808.31122	4.4
809.32117	3.1
821.32550	100.0
822.18915	1.5
822.33026	21.7
839.33557	44.6
840.34064	10.7
881.34491	3.1
969.34973	4.0
1001.38965	7.8
1036.05762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
52.98965	3.7
55.01887	67.7
57.03451	13.1
58.00597	8.0
59.01387	79.3
70.03930	10.1
71.01390	52.4
72.99329	16.5
73.02962	100.0
73.99668	7.9
83.01407	14.3
98.22443	4.3
101.02465	54.4
102.05636	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	1023.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	1.1
71.31993	1.3
76.72713	0.9
93.03465	0.9
105.03474	1.1
109.02954	16.8
113.02463	0.9
121.02938	2.4
121.12392	0.8
131.25620	0.9
132.02185	2.5
133.02968	20.2
134.03696	2.4
135.04549	7.2
137.02470	1.2
141.12029	1.0
145.02975	2.0
147.04526	2.1
149.02429	1.1
150.45285	0.8
157.02924	2.2
159.04526	5.7
160.01680	1.7
161.02458	80.4
162.02783	3.5
173.02455	1.3
176.01154	0.9
177.01939	2.5
177.05573	1.0
178.02748	1.0
179.03502	10.5
185.02408	6.3
186.03165	2.1
195.08035	0.8
197.06097	1.1
203.03484	4.7
211.07434	1.2
221.06107	2.3
223.07713	2.0
224.04758	1.0
225.05544	1.8
229.01404	8.7
233.06070	1.2
237.05626	1.3
239.07085	2.9
248.04817	1.8
249.05556	4.8
250.06277	1.3
251.07153	2.3
252.04285	1.5
253.05156	1.6
254.05797	1.5
265.05017	2.7
266.05817	2.5
267.06613	9.2
268.06970	0.9
269.08218	7.7
276.04257	1.2
277.05081	7.3
278.05612	1.0
279.03018	1.4
280.03809	3.1
293.04575	3.5
294.05243	1.6
295.06152	22.0
296.06335	1.4
311.05719	2.1
313.07178	8.7
321.04105	7.3
339.05103	100.0
340.05460	8.3
341.08771	21.2
357.06213	2.1
475.12320	3.3
475.26999	1.0
501.10419	42.6
502.10956	3.9
519.11359	5.0
681.16339	4.9
920.54980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	1.1
71.31993	1.3
76.72713	0.9
93.03465	0.9
105.03474	1.1
109.02954	16.8
113.02463	0.9
121.02938	2.4
121.12392	0.8
131.25620	0.9
132.02185	2.5
133.02968	20.2
134.03696	2.4
135.04549	7.2
137.02470	1.2
141.12029	1.0
145.02975	2.0
147.04526	2.1
149.02429	1.1
150.45285	0.8
157.02924	2.2
159.04526	5.7
160.01680	1.7
161.02458	80.4
162.02783	3.5
173.02455	1.3
176.01154	0.9
177.01939	2.5
177.05573	1.0
178.02748	1.0
179.03502	10.5
185.02408	6.3
186.03165	2.1
195.08035	0.8
197.06097	1.1
203.03484	4.7
211.07434	1.2
221.06107	2.3
223.07713	2.0
224.04758	1.0
225.05544	1.8
229.01404	8.7
233.06070	1.2
237.05626	1.3
239.07085	2.9
248.04817	1.8
249.05556	4.8
250.06277	1.3
251.07153	2.3
252.04285	1.5
253.05156	1.6
254.05797	1.5
265.05017	2.7
266.05817	2.5
267.06613	9.2
268.06970	0.9
269.08218	7.7
276.04257	1.2
277.05081	7.3
278.05612	1.0
279.03018	1.4
280.03809	3.1
293.04575	3.5
294.05243	1.6
295.06152	22.0
296.06335	1.4
311.05719	2.1
313.07178	8.7
321.04105	7.3
339.05103	100.0
340.05460	8.3
341.08771	21.2
357.06213	2.1
475.12320	3.3
475.26999	1.0
501.10419	42.6
502.10956	3.9
519.11359	5.0
681.16339	4.9
920.54980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.2
78.28116	0.2
85.02934	0.5
89.02458	1.3
93.03477	0.4
95.01381	0.3
99.00903	0.4
101.02448	0.9
105.03458	0.4
108.02167	0.8
109.02977	2.4
110.83758	0.2
113.02441	0.9
115.00372	0.6
115.01875	0.3
117.03455	0.4
119.03560	0.5
121.02972	3.8
123.04536	0.3
132.02190	1.6
133.02972	30.0
134.03163	1.1
135.03502	0.5
135.04544	10.7
136.04887	0.4
137.89429	0.2
146.03700	0.4
147.04555	0.8
149.06117	1.1
157.01471	0.4
159.04465	0.6
160.01616	0.3
161.02463	100.0
162.02802	3.9
169.06607	0.3
173.06175	0.5
175.04044	1.4
177.05588	1.7
179.03519	19.1
180.03923	0.9
187.04068	0.9
188.04814	0.7
193.05037	0.2
196.05223	0.4
197.06078	0.4
200.28349	0.3
203.03506	2.5
213.05620	0.5
215.07173	0.5
221.04599	1.4
225.03625	0.3
225.05693	0.8
226.06354	1.7
229.01476	0.5
241.05052	1.9
242.05847	3.6
243.06636	40.0
244.06966	2.8
251.05623	0.5
255.06618	0.3
269.08261	0.7
271.09824	3.1
271.12479	0.3
277.05627	0.7
281.06754	1.1
282.05515	0.4
295.06174	0.3
297.07721	4.2
298.08136	0.3
315.08871	0.9
323.07690	0.4
339.05237	1.0
340.05530	0.6
341.08997	40.5
342.09268	3.0
357.10089	0.8
359.07773	4.7
359.11847	0.4
360.08069	0.3
401.09164	0.3
461.11194	0.7
503.14145	2.0
521.13232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	2.2
71.32197	0.8
76.25081	0.5
84.31072	0.5
85.02962	0.8
89.02448	1.5
93.03447	1.3
99.00908	0.5
101.02476	1.1
105.03402	0.8
108.02174	1.7
109.02964	10.3
111.00855	1.7
113.02459	0.9
114.05644	0.5
115.00375	1.9
119.03479	0.7
119.05035	0.6
121.02970	9.8
123.04556	0.6
132.02187	1.7
133.02977	19.9
134.03638	0.7
135.04547	17.9
136.04874	0.8
145.02921	0.8
146.03743	1.1
147.04517	1.8
149.06082	4.8
159.04495	3.1
161.02463	65.2
161.06073	5.5
162.02780	2.7
173.06053	1.2
174.03227	1.0
175.04034	3.2
177.05556	1.3
179.03514	18.1
180.03905	1.1
185.05923	0.8
187.04012	5.2
188.04794	2.7
195.04579	0.6
197.06061	1.3
202.39371	0.5
203.03487	3.8
204.03902	0.6
211.55034	0.5
213.05600	2.1
214.06006	0.7
219.03043	0.8
221.04707	1.2
224.04871	0.7
225.05618	2.1
226.06363	4.1
229.05113	4.9
230.05350	0.6
231.02998	4.0
241.05077	6.1
242.05850	11.3
243.06633	100.0
244.07011	6.9
253.08755	0.8
254.05713	0.5
255.06679	1.5
267.06595	0.5
269.08188	1.9
271.09775	14.2
272.10089	0.7
277.05444	1.6
279.06543	1.6
281.06650	0.9
282.05441	1.7
295.05957	1.0
297.07718	17.2
298.08044	1.2
315.08820	6.7
316.09143	0.8
327.66837	0.6
341.06555	19.4
341.08957	15.7
342.06924	1.0
342.09216	0.9
357.09738	1.4
359.07764	29.4
360.08142	2.0
401.08917	0.7
454.74408	0.6
461.11185	1.1
503.13867	1.3
521.13000	5.9
522.13153	0.8
578.90082	0.5
607.90033	0.6
661.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02976	2.3
89.02465	8.7
101.02473	5.6
113.02473	4.7
119.03547	2.6
122.06107	2.7
133.03033	2.2
134.06122	12.8
134.96658	2.1
135.04559	3.2
147.44482	1.9
161.02435	4.6
179.03514	3.6
237.10365	2.2
239.11980	3.6
264.09241	2.4
265.09912	3.7
278.10410	2.2
279.11417	8.0
360.17276	3.4
386.14883	3.6
402.75208	1.9
408.00708	2.2
460.18890	2.6
511.52780	1.9
650.23169	4.5
666.26569	2.4
682.25781	4.8
729.31195	2.9
755.29730	8.9
756.29828	2.4
769.30084	2.8
770.29248	2.0
773.30280	32.9
774.30945	2.9
787.17493	3.6
787.31952	61.2
788.32086	11.6
805.33044	100.0
806.33472	22.3
847.33942	4.4
935.35706	2.7
1056.13647	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	1045.523
Annotation	Solanigroside H
Peak:m/z	Relative Intensity
85.02981	22.4
89.02493	22.1
101.02470	42.3
127.17838	16.9
192.67473	18.2
276.67511	17.5
341.78946	20.1
899.46033	38.3
1045.51929	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	105.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.6
70.90939	1.4
70.91283	1.6
72.99321	99.7
73.99652	2.1
75.00886	32.9
75.01321	1.8
103.00366	1.3
105.01950	100.0
106.02279	2.6
110.58281	1.0
118.34511	0.9
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
50.68378	0.6
58.00580	1.3
59.01086	1.6
59.01383	30.1
69.73964	0.8
71.16170	1.4
72.99313	93.2
73.99628	1.3
75.00880	32.5
83.01547	0.8
103.00345	1.1
105.01945	100.0
106.02288	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	107.0505
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.58230	1.2
69.24632	7.8
92.20483	1.0
106.04254	4.5
107.05039	100.0
108.02180	1.5
108.04570	6.4
108.05376	5.5
115.36852	1.1
118.64919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0219
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
58.66119	1.6
66.03456	1.8
69.01550	9.0
69.01984	9.5
80.05067	2.0
90.15692	1.7
108.02182	100.0
108.04572	17.1
108.32034	2.0
109.02998	22.6
109.04087	3.5
122.45204	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	1088.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02978	10.2
87.00891	7.2
89.02454	9.2
101.02450	9.8
113.02457	9.5
119.03533	7.1
135.04506	5.1
161.02457	9.0
369.17004	4.8
447.97852	4.6
462.84055	4.6
507.66049	4.8
520.38593	4.2
574.56549	5.5
703.05035	4.6
899.46564	28.9
1045.33020	6.6
1045.52576	100.0
1046.52417	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	2.7
147.52034	0.7
159.88496	0.6
183.31404	0.6
190.50342	0.7
194.22992	0.7
223.39130	0.6
257.95642	0.7
277.05569	0.7
278.12903	0.7
278.90262	0.7
279.23328	6.1
303.00528	0.6
310.98230	0.7
339.28583	0.8
438.71933	0.7
452.14960	2.6
476.27585	1.4
481.15182	6.7
482.15839	0.9
493.15234	2.0
494.15866	1.1
495.16779	14.4
496.17035	2.7
507.17178	1.4
508.17374	2.2
509.18347	1.4
510.18274	0.7
512.13452	1.3
526.14886	1.2
535.16266	2.3
536.17023	2.7
540.16754	1.5
551.19379	38.5
552.19629	7.8
553.17804	0.8
554.18365	1.1
555.18829	1.2
567.19330	0.8
568.15723	0.8
572.15393	3.8
586.17114	2.7
595.17987	3.3
627.21008	100.0
628.11731	1.3
628.21307	15.2
702.72992	0.8
1104.48218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.6804
Annotation	Unknow
Peak:m/z	Relative Intensity
76.69031	1.2
85.02976	7.4
89.02448	48.1
91.07519	1.3
92.77119	1.4
96.78638	1.3
98.21835	1.4
99.04531	9.0
101.02454	22.9
113.02446	22.1
119.03509	27.8
122.06359	1.4
125.02426	1.2
130.25644	1.4
131.03532	3.3
143.03516	6.0
147.58215	1.5
149.04474	1.5
149.86302	1.1
150.06906	1.7
161.04578	6.0
161.13388	16.0
179.05608	25.2
184.27344	1.4
187.11334	3.8
205.12346	64.7
206.12686	3.9
234.96686	1.4
249.11328	100.0
250.11656	5.9
293.82047	1.3
295.38351	1.4
385.18668	7.3
429.17639	78.1
430.17816	6.2
442.90054	1.5
822.94843	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	1108.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57526	15.4
81.89796	19.8
85.02962	19.3
85.45892	16.4
89.02444	24.2
95.62852	17.2
101.02438	21.0
121.02924	21.9
122.57499	18.1
134.87059	20.0
173.16917	19.9
187.38158	18.7
188.46896	16.7
295.55670	18.8
798.17297	21.4
1048.52893	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	1109.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	1.3
83.01382	3.2
83.42010	0.9
85.02973	2.7
89.02448	8.0
93.03469	1.7
97.11590	1.1
99.03926	1.5
99.04532	17.9
101.02449	13.6
113.02461	6.5
117.03459	6.1
119.03503	4.6
123.04520	3.6
125.02459	13.9
135.04520	2.7
143.03494	4.4
145.47235	1.3
149.04596	1.7
161.02463	2.2
161.04530	4.3
177.05623	1.6
179.05638	6.0
179.10797	3.0
203.10713	3.1
206.09497	1.5
221.06538	1.5
221.11902	6.8
282.05222	3.1
283.06134	3.2
295.06012	4.8
296.06668	3.0
297.07721	17.7
298.08121	1.7
307.06073	1.4
309.07706	2.6
311.05630	2.9
323.05548	4.9
325.07196	8.0
328.05881	3.9
335.05573	1.7
337.07175	3.6
353.06693	38.1
354.07080	3.4
365.06689	7.9
383.07758	33.7
383.17111	4.9
384.08081	3.5
395.07556	3.1
401.18243	21.6
402.18405	2.0
413.08664	5.7
425.08893	4.6
443.09958	7.5
443.19165	6.4
455.09439	1.4
473.10724	6.4
501.23190	2.4
503.11703	2.6
545.22424	83.7
546.22699	9.6
563.14056	100.0
564.14410	12.8
604.44128	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67367	2.3
62.25802	1.8
67.01895	69.7
68.02210	2.1
70.49111	6.7
70.49466	2.4
76.19701	2.5
78.95910	8.1
79.82488	2.5
83.01413	5.3
110.21281	1.9
111.00894	100.0
112.01200	3.3
127.98960	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
51.23293	1.7
66.87742	2.0
67.01894	72.8
68.37312	1.8
70.48547	4.4
70.48903	2.7
74.41154	1.5
78.95906	15.3
83.01389	5.5
96.65940	1.8
110.97607	2.8
111.00888	100.0
112.01193	4.4
126.82527	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	1111.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03488	0.8
98.22530	1.1
99.04521	1.1
100.90563	0.4
101.02427	0.5
102.37405	0.5
117.03485	3.2
119.04996	0.6
123.04555	0.5
125.02439	0.6
133.02905	0.4
135.04556	1.4
145.02985	0.5
161.02454	1.8
163.04030	0.8
168.11826	0.5
170.31052	0.5
173.02414	0.5
173.06047	0.5
175.04015	1.3
177.02019	0.7
177.05656	0.8
188.35687	0.5
189.01947	0.6
191.03517	1.1
203.03534	0.7
213.81738	0.6
233.04430	0.6
236.28015	0.5
267.06635	0.5
268.07404	0.8
281.04590	0.8
282.05267	1.8
283.06018	2.5
295.06107	4.9
296.06927	2.2
297.07718	13.7
298.08112	0.7
307.06174	0.9
309.07755	1.5
311.05679	1.8
323.05743	2.6
325.07227	6.3
328.05948	2.3
335.05768	0.9
337.07239	2.9
341.06674	1.0
351.05344	0.7
353.06696	33.1
354.07043	4.1
355.08069	1.1
356.05374	0.6
365.06772	5.4
383.07779	27.0
384.08167	3.0
395.07681	2.7
407.07846	0.8
413.08893	3.7
425.08786	3.4
443.09943	4.1
455.10046	0.6
473.10703	3.7
503.12079	2.1
545.12878	0.8
545.23077	0.5
547.23950	0.7
563.14111	100.0
564.14423	14.5
565.14197	1.7
797.16266	0.6
873.10773	0.6
885.68372	0.5
966.80127	0.5
982.90692	0.6
1051.43311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02440	11.1
101.02448	13.6
106.06654	7.0
113.02521	5.2
117.03500	31.7
119.03534	6.5
119.05049	19.9
122.06108	14.4
124.57742	4.3
125.02502	5.5
132.72134	4.5
134.06140	49.8
145.02991	39.9
152.07225	6.2
163.04045	10.0
166.66106	4.7
178.54161	5.7
196.41327	5.9
215.12065	5.1
253.13438	5.3
265.09924	7.6
279.11395	7.2
287.13980	5.6
317.11835	5.5
337.11902	6.3
346.15723	6.6
360.17322	7.4
386.15063	16.2
402.18326	7.0
428.16324	8.2
460.19324	6.3
605.23218	4.8
630.86304	6.6
630.98004	5.1
701.28827	6.1
713.28644	5.9
729.31042	6.0
755.16022	9.3
755.29224	100.0
756.28967	16.9
773.30383	66.5
774.30627	8.8
787.31738	75.3
788.32117	15.8
805.32550	24.3
806.33527	6.4
815.31049	7.0
847.34656	9.8
874.46375	6.6
875.32892	9.2
901.32117	8.5
917.34674	51.0
918.34387	14.4
919.33899	23.6
949.36688	22.1
1081.38037	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
78.14477	0.3
78.95912	80.0
79.96989	0.3
88.34230	0.3
96.96974	4.6
150.98062	1.4
152.99605	86.2
153.99921	0.8
171.00665	23.0
194.39746	0.3
227.03291	3.8
245.04329	100.0
245.48248	0.4
246.04720	2.4
253.21751	50.4
254.22069	2.9
275.72128	0.3
481.25772	67.0
482.26157	4.9
555.70465	0.3
614.10797	0.4
795.22424	1.0
895.44897	0.8
933.74652	0.4
1094.62085	0.4
1123.49255	7.7
1124.48669	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	1129.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02939	5.0
89.02446	7.3
96.95982	2.2
101.02443	5.3
106.06628	6.1
111.25455	1.7
113.02480	5.3
119.03476	3.0
122.06128	6.7
128.03571	2.0
132.02185	8.0
132.04532	3.2
133.02965	50.6
134.06113	25.5
134.46091	2.2
135.04529	16.2
136.07697	3.3
152.07167	4.7
161.02449	58.1
175.04024	2.0
177.05544	2.3
179.03499	8.0
208.42838	1.7
211.08702	2.4
215.11902	3.5
237.10126	3.0
241.13547	4.8
249.10114	2.4
251.11911	2.4
263.08142	3.1
264.09039	2.3
265.09683	3.7
269.13025	1.7
273.94638	1.8
277.09787	3.3
279.11407	5.4
287.14111	4.5
328.10883	2.1
342.16086	2.6
344.13989	2.3
346.15454	4.0
359.16641	2.0
360.17188	6.1
384.17258	4.4
386.15137	11.2
398.15146	4.2
400.16699	8.5
402.18103	7.4
414.18387	4.8
428.15842	4.6
440.16089	2.4
547.23431	2.5
549.25067	2.1
565.24194	3.2
575.22638	4.6
593.24506	2.3
676.91278	2.3
716.53870	2.2
729.30890	7.4
730.32001	2.3
745.30487	6.0
747.31879	3.1
755.29272	48.4
756.29987	9.8
773.30426	100.0
774.30939	17.3
787.32098	10.2
797.29718	6.4
798.30359	2.7
805.33124	27.5
806.33447	5.4
815.31366	12.6
829.31616	2.2
847.33856	10.0
848.32959	2.6
875.31818	4.4
891.34583	4.1
917.32983	24.9
918.32977	4.9
935.33575	53.4
936.33868	11.3
949.36084	3.7
967.35638	4.9
1097.38940	10.2
1098.38000	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	113.0248
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01892	13.1
57.03453	32.0
67.01885	2.5
68.01389	1.6
68.99578	25.5
69.03472	4.4
69.12489	1.5
71.01373	5.4
71.31307	3.0
72.00919	6.5
72.99294	3.2
79.96190	1.5
83.01397	7.2
84.02187	19.7
85.02964	100.0
86.03319	2.5
95.01395	2.3
113.02467	30.0
113.06103	2.5
114.01979	5.0
114.05626	21.3
115.61549	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	1145.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02950	3.7
89.02468	5.5
101.02453	11.0
113.02481	5.4
122.06149	6.3
132.02209	5.5
132.04575	5.6
133.02972	46.7
134.06105	30.3
135.04549	24.2
152.07208	5.9
161.02461	53.6
179.03513	9.9
188.31438	3.1
235.94688	3.0
237.10486	4.1
238.07466	3.4
251.08305	3.8
263.08279	4.6
265.09787	5.8
279.11453	3.8
295.10794	3.8
303.13501	7.5
304.08878	3.3
346.15512	4.2
358.15875	3.4
372.13681	3.6
398.15305	3.2
402.14435	9.3
414.29684	3.3
416.16266	5.4
418.18265	3.7
430.17975	5.1
483.28781	3.3
546.11334	3.4
561.81281	3.5
563.23218	4.1
591.22467	4.4
609.23199	4.9
743.29352	6.4
745.30078	5.0
759.28864	5.0
771.29053	52.3
772.28894	11.7
773.29681	5.2
787.28015	4.1
789.29950	100.0
790.30231	18.0
803.30719	4.2
805.29089	4.1
813.29950	6.9
821.32111	22.6
822.32611	6.2
831.31012	9.5
863.33527	5.7
933.32513	29.3
934.33350	6.5
949.33655	4.4
951.33331	57.7
952.34222	18.7
965.34747	4.4
983.35168	8.4
1095.35608	4.4
1113.37292	13.9
1114.37769	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	1147.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02962	3.3
89.02441	7.3
101.02453	7.8
102.42336	2.1
106.06652	5.0
106.83848	1.9
108.04542	2.1
113.02483	4.0
119.03525	3.7
119.04964	2.5
126.78863	1.8
132.02191	6.6
132.04636	2.2
133.02972	40.7
134.06129	23.1
135.04512	15.9
140.07204	4.4
152.07158	7.2
161.02458	52.3
162.02878	1.8
177.01933	2.5
179.03496	9.6
203.03452	2.9
223.08974	2.4
237.06454	1.8
237.10326	4.5
239.08012	3.0
239.11852	3.2
250.07658	2.0
251.08261	4.4
263.08151	3.1
263.11954	2.6
264.08920	3.2
265.09869	5.7
266.06973	3.0
267.07745	2.6
277.09793	5.1
279.11401	6.1
299.18933	2.1
302.96744	2.4
303.13446	3.5
314.12561	3.8
318.12378	2.1
360.13681	2.2
384.17041	3.4
404.16086	4.5
420.19266	3.1
446.16815	3.6
454.17194	2.9
458.17322	3.0
464.18402	2.2
472.19073	3.3
478.19290	2.5
490.19550	4.4
529.07043	2.2
541.99719	2.1
542.80200	2.0
549.07709	2.1
593.23944	2.3
651.23810	3.4
747.31927	3.2
765.32434	3.8
773.30566	46.9
774.30615	9.5
791.31451	100.0
792.31628	17.4
805.32983	19.4
806.33911	3.1
807.30280	2.8
815.31183	7.8
823.33948	34.3
824.34528	7.7
833.32379	22.2
834.32678	6.6
847.32800	2.8
863.32355	2.7
865.34625	9.2
866.34222	3.2
893.34143	6.4
935.35651	15.3
936.33270	4.7
951.33673	2.5
953.35114	18.4
954.35468	2.3
967.37482	4.6
1115.39539	28.0
1116.38843	8.4
1147.41565	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	115.0039
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
52.74222	2.5
59.01371	8.3
71.01392	100.0
71.05022	9.4
71.18082	3.3
71.84467	2.7
87.00883	12.2
111.32267	2.7
114.93428	4.5
115.00367	11.0
116.07194	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
61.33723	1.6
71.01389	100.0
71.29925	3.4
72.01715	3.8
115.00359	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	1157.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
80.32651	1.9
82.94512	2.4
85.02960	3.7
89.02448	8.4
95.01390	2.1
101.02464	9.1
106.06641	7.1
113.02468	5.0
119.03577	2.6
122.06126	9.8
134.06134	34.3
137.09758	2.5
152.07159	6.5
156.93399	1.8
158.02454	1.8
161.04735	2.2
190.05209	3.2
215.11922	3.2
221.85995	1.9
223.08861	2.7
225.10236	2.6
237.06676	2.6
249.10428	2.6
250.07503	2.8
251.08405	4.5
264.09122	3.5
265.09924	5.5
277.09784	3.4
307.10843	2.7
314.12497	3.3
329.15076	3.9
337.12070	3.8
339.13239	2.3
344.14127	2.4
346.15640	6.7
358.15607	4.9
360.17200	5.4
372.13431	3.0
384.74762	2.3
385.14056	2.9
386.15118	9.7
398.15100	4.3
400.16623	3.1
401.96951	2.1
428.16199	5.3
460.19089	5.3
472.18573	3.0
517.18439	3.4
521.20807	2.9
632.22949	3.8
666.25854	2.9
701.28143	2.9
711.30072	3.1
713.27924	8.6
714.28937	3.6
733.30804	3.6
737.27551	3.7
755.29425	59.2
756.29492	11.5
773.30347	12.1
787.31976	100.0
788.32251	19.3
805.32465	7.2
1083.47876	3.1
1084.47473	3.1
1125.49402	24.5
1126.48352	8.1
1157.51526	21.9
1158.50439	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	116.0507
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.06432	0.6
57.50439	0.7
59.01389	1.7
70.71875	1.9
71.05022	1.1
73.02569	1.2
73.02951	14.4
74.36279	0.6
89.01453	2.7
99.00877	1.3
99.92594	39.8
103.25433	0.6
115.92068	4.1
116.02551	5.2
116.05074	100.0
116.07200	3.7
116.92873	74.2
117.02007	1.1
117.04695	1.1
117.05422	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	1164.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	3.0
85.02943	3.6
87.00880	3.5
89.02464	6.4
90.03551	2.1
95.01408	5.1
99.04546	2.4
101.02453	7.6
103.60957	1.8
106.06637	3.9
107.03810	2.7
108.04579	8.6
110.02484	2.9
112.87360	2.0
113.02475	21.0
118.93648	2.1
119.03489	2.2
122.06136	7.0
125.02470	53.0
134.02509	100.0
134.03535	5.0
134.06137	35.3
135.02869	2.9
135.04585	3.0
136.00426	3.7
139.00400	2.9
152.03568	12.0
152.07185	6.7
154.01530	3.2
157.01451	22.7
161.02409	3.4
161.04718	3.5
161.21770	2.3
181.87758	2.2
182.03751	2.3
215.11868	3.0
223.08649	3.2
224.09483	3.0
225.10135	3.3
233.36436	2.4
237.10251	1.9
239.11882	3.6
249.10507	2.9
250.07503	3.9
251.08263	7.4
251.11993	2.8
263.08221	6.9
263.11670	2.2
264.08981	5.0
265.09851	6.1
277.09814	5.1
278.10602	3.1
279.11429	6.2
287.13898	2.9
296.11118	2.9
305.09433	3.4
307.10846	3.8
314.12381	3.4
360.17450	3.4
374.14993	3.2
384.17120	2.6
386.15076	5.8
400.16757	3.4
402.18536	4.4
412.16898	3.2
414.18146	3.4
426.18576	2.8
428.16028	7.1
440.16104	5.4
547.23022	2.5
632.21973	3.4
729.31134	6.7
747.32043	4.9
755.29431	61.7
756.30719	11.9
773.30481	31.3
774.30719	8.1
787.32300	28.4
788.32275	6.6
805.32928	19.1
815.31360	7.9
847.33557	8.8
875.32349	4.8
917.35358	11.1
935.35217	7.7
949.37006	3.2
974.36780	28.6
975.36438	7.6
1070.38184	9.2
1072.34583	3.9
1088.40381	12.0
1114.36670	3.5
1132.39111	45.3
1133.39087	10.9
1164.41797	12.6
1165.40955	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	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01899	1.0
56.40790	0.5
65.46886	0.4
70.92883	1.4
71.01381	0.7
72.00917	1.2
73.02950	100.0
74.02478	2.5
74.03281	2.5
75.86546	0.5
89.27554	0.5
99.00890	7.3
106.79975	0.5
107.70341	0.5
116.92938	0.5
117.01949	11.2
117.02727	0.8
118.02303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02837	0.5
55.01873	1.1
63.45927	0.5
69.60891	3.3
73.02957	100.0
74.03271	3.7
96.80151	0.6
99.00893	8.6
99.92603	4.1
116.92875	10.8
117.01962	10.7
117.92894	1.2
118.03065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92929	0.8
73.02952	15.7
77.25343	0.9
85.39378	0.7
89.03983	3.1
99.00906	1.1
99.92603	46.0
100.92619	3.9
105.04232	0.7
116.92879	100.0
117.03483	90.0
117.92894	9.4
118.03004	4.4
118.03854	7.2
138.95676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02970	4.2
87.00832	2.2
89.02483	7.2
95.01376	1.5
98.22582	2.9
101.02451	7.3
106.06638	6.3
106.71474	1.4
107.03743	1.7
109.40286	1.7
113.02454	4.3
119.03556	3.0
120.08261	1.3
122.06113	7.9
134.06134	30.3
136.07680	1.7
141.42491	1.2
152.07225	6.7
183.74313	1.7
190.05128	3.5
205.12193	1.9
215.11879	2.8
223.08856	2.2
225.10309	2.4
227.11986	2.0
237.06598	1.9
239.11797	1.8
250.07475	2.6
251.08113	4.6
263.08243	3.8
264.09070	3.8
265.09775	5.3
267.11310	2.1
269.12888	2.6
277.09821	4.7
279.11371	3.9
287.14047	2.8
305.09338	2.0
306.90140	1.6
307.10880	2.5
314.12448	1.9
321.08575	1.5
337.12015	3.7
342.12595	3.0
342.16299	2.6
344.13849	3.2
346.15421	4.0
354.61325	1.6
358.15598	3.8
359.16455	1.7
360.17267	3.1
368.13977	1.9
370.15799	2.0
372.13455	2.6
374.14993	1.9
384.12997	1.8
384.17310	2.5
386.14999	10.8
395.17014	1.6
398.14719	3.3
412.17084	1.7
428.16086	5.2
440.15887	2.1
454.17789	2.0
460.19040	2.1
517.18323	2.1
533.21429	2.1
575.23102	2.6
607.25366	2.3
632.22656	1.9
633.22070	1.7
655.32446	2.4
664.25128	2.0
670.01459	1.8
687.29810	2.0
691.12799	1.6
701.27637	3.2
711.31116	2.3
713.28461	7.9
714.29004	2.1
727.29596	1.9
733.30438	3.4
755.29388	60.5
756.29156	6.2
769.30774	2.0
773.30292	9.1
787.32043	100.0
788.31995	16.6
805.32965	9.7
961.35327	2.0
978.41992	2.3
979.36224	1.9
1099.47363	4.3
1100.48499	3.8
1141.49207	22.6
1142.49146	7.1
1173.51697	19.5
1174.51331	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	1173.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02931	4.6
89.02454	7.8
98.21871	5.0
101.02457	10.7
106.06620	5.2
108.09435	3.5
119.03487	3.8
122.06158	6.1
134.06122	39.8
142.99484	3.4
143.25198	4.0
152.07256	5.6
155.13351	4.7
161.02414	3.7
164.11035	3.4
167.20091	4.4
214.05244	4.5
215.11827	5.8
223.08757	5.5
225.10248	4.4
225.83607	3.7
250.07437	4.0
251.08238	5.6
263.08398	7.4
264.08908	4.2
277.09732	4.5
279.11484	7.7
289.55084	3.9
295.11127	4.0
307.10895	4.8
314.12485	5.5
318.39709	3.8
344.14059	4.8
360.17108	5.4
384.16916	4.7
386.15082	8.3
415.83792	3.9
460.18692	6.2
460.54440	4.0
720.93250	5.5
755.29596	25.7
756.29321	4.7
771.28619	4.9
773.30170	37.2
774.30243	9.7
787.32068	100.0
788.31805	22.7
803.31293	6.0
805.32983	61.4
806.33411	17.3
815.30988	5.1
820.91486	4.3
829.32654	5.9
847.34265	27.9
848.33777	8.8
875.33563	4.4
913.03107	4.7
1141.47339	14.0
1173.50244	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	1173.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02962	6.4
90.44772	4.0
100.16077	3.9
101.02468	10.1
106.06618	6.8
113.02410	5.9
122.06136	7.8
134.06148	39.9
152.07159	5.5
179.97154	3.9
205.12375	5.1
251.08099	6.5
263.08340	6.0
264.09131	7.1
265.09897	7.2
283.11102	4.8
314.12738	5.4
358.15561	5.7
360.16852	5.5
386.15244	11.9
398.14954	6.1
425.27289	4.9
428.15952	5.6
517.18744	7.2
713.28296	12.9
755.29187	67.3
756.29633	14.1
773.30212	11.6
786.31165	4.8
787.17572	6.1
787.31982	100.0
788.32330	18.9
803.31885	12.9
804.32080	8.0
805.32843	11.0
922.35260	5.7
1141.48804	35.0
1142.50549	10.1
1173.50635	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0353
Annotation	D-Threose
Peak:m/z	Relative Intensity
55.01878	11.6
56.15760	2.6
59.01386	47.0
61.98849	4.1
69.84106	13.9
71.01397	55.7
72.00921	3.8
72.99316	100.0
73.01236	3.2
73.02959	20.2
74.02493	6.1
75.00885	29.6
75.02846	5.0
76.52534	2.9
83.01394	4.1
95.01204	2.8
101.02458	14.3
111.46209	2.6
119.02651	2.4
119.03517	74.0
120.03929	3.4
130.02649	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	119.0352
Annotation	D-Threose
Peak:m/z	Relative Intensity
55.01875	11.3
56.53067	2.9
58.00597	2.6
59.01382	47.4
61.76304	2.3
61.98833	2.5
69.55460	15.1
71.01385	43.0
71.01751	3.8
72.99313	100.0
73.01215	2.8
73.02954	18.2
74.02464	5.2
75.00883	30.5
75.02797	3.9
84.32786	2.2
87.00903	2.8
97.03436	2.7
99.00872	3.7
101.02456	11.5
119.03506	72.1
120.03903	2.2
120.55546	2.5
136.96091	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
58.47084	0.5
67.47047	0.6
69.05212	5.3
90.39372	0.5
91.05540	1.5
93.03461	6.3
104.02692	0.5
117.03490	0.7
118.94268	0.5
119.05032	100.0
120.05347	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	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03168	5.3
69.03571	0.7
73.95587	0.5
74.54509	0.5
91.05530	1.4
93.03477	5.0
117.03487	1.1
118.92639	0.8
119.05045	100.0
120.05360	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
61.13787	0.3
68.95598	0.3
69.51548	2.1
91.01939	1.5
93.03468	2.9
94.02966	0.5
95.01389	1.4
108.02184	5.2
121.02969	100.0
122.02567	0.3
122.03313	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	125.0246
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.03925	3.1
55.01884	7.9
67.01888	12.0
69.03467	30.1
69.32115	23.0
81.03462	81.3
82.03802	4.4
83.01408	7.3
85.79259	2.8
97.02962	26.7
125.02457	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	125.0247
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
55.01860	10.7
59.03399	3.1
66.06916	4.3
67.01884	10.0
69.03471	33.3
69.83495	17.5
81.03468	78.0
82.03822	3.5
97.02980	18.4
98.21805	4.2
118.29836	3.3
123.00908	4.5
124.01556	4.0
125.02462	100.0
126.02797	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	128.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03452	10.8
58.02975	1.6
59.01372	4.9
64.49821	1.2
67.01897	17.0
68.99834	4.6
69.07870	1.3
70.62627	2.9
70.62998	2.9
71.01397	7.4
72.99311	7.8
73.02945	3.3
82.02993	5.3
83.01394	3.1
85.02954	16.4
87.00901	3.3
87.76564	1.4
99.00895	4.6
101.02457	3.5
111.00867	2.8
128.03552	100.0
129.01955	10.7
129.03877	5.8
140.37700	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01889	3.1
57.03459	10.7
59.01368	3.0
67.01901	24.0
68.99819	5.7
71.01385	6.7
71.22573	1.7
72.99311	5.3
83.01395	3.8
83.08187	1.4
85.02953	12.3
87.00906	2.4
88.04042	14.8
88.98991	1.4
94.78588	1.5
101.02471	1.4
101.83151	1.5
118.47697	1.5
129.01974	9.6
130.08751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
69.71015	4.6
85.02956	100.0
86.03299	3.7
88.04056	1.2
129.01936	2.8
130.08746	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	129.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03454	0.9
67.01900	2.7
68.99829	0.7
69.57855	0.7
71.01386	0.4
72.00928	0.2
72.99316	0.4
73.02950	0.2
83.01381	0.1
83.05014	0.1
85.02947	0.5
87.00871	0.2
88.04047	1.7
90.82439	0.1
96.99330	0.2
101.02438	0.2
113.06202	0.1
128.07222	0.1
128.90190	0.4
129.01973	0.6
129.10349	0.1
130.08755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	(3R)-3-Methyl-2-oxopentanoic acid
Peak:m/z	Relative Intensity
57.03452	6.4
70.19831	28.4
75.38338	7.3
81.03483	7.3
83.05000	6.3
84.00296	6.7
85.02937	15.0
85.06599	21.2
128.90182	23.3
129.01971	8.5
129.05597	33.8
130.08745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89777	18.3
69.45396	55.7
69.45823	89.2
86.58636	19.7
98.21832	25.0
129.05627	25.7
130.08788	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32102	1.2
52.39687	0.8
57.03442	2.1
69.38678	6.4
73.02930	2.1
73.71465	1.0
82.06686	1.1
85.02953	5.9
85.76102	1.0
87.04502	2.2
88.04049	16.3
98.13855	0.9
99.39888	0.8
130.08751	100.0
131.03499	2.7
131.09099	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52213	1.1
52.88699	1.2
55.65977	1.2
67.68912	1.2
70.11127	5.2
85.50301	1.3
105.12394	1.2
130.08745	100.0
131.08266	3.8
131.09084	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	131.0829
Annotation	D-Ornithine
Peak:m/z	Relative Intensity
69.20067	2.7
70.70889	3.3
70.71222	6.3
82.18336	2.8
83.06156	3.1
85.02975	7.4
87.04539	3.7
88.04053	10.8
98.22453	2.9
121.11997	2.6
126.23946	2.6
131.08282	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	132.0305
Annotation	Aspartate
Peak:m/z	Relative Intensity
53.45005	0.8
57.05500	0.8
63.78702	0.8
70.11469	0.9
70.65320	2.4
71.01386	42.3
72.00908	2.9
72.99313	5.3
77.00534	0.8
88.04049	100.0
89.02437	1.8
89.04388	2.2
114.01976	4.5
115.00385	46.6
132.03032	16.6
133.01440	3.9
140.49370	0.9
145.58313	0.8
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
53.52694	1.2
59.01383	1.7
70.98312	1.4
70.98675	2.5
71.01389	87.7
72.99313	19.0
78.92310	1.1
89.02451	9.8
115.00385	100.0
116.00706	5.1
133.01445	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50846	1.4
56.25682	1.3
60.25172	1.3
69.60417	9.2
71.01390	97.0
71.32799	2.0
72.72654	1.4
72.99314	21.6
75.65710	1.3
89.02444	9.9
93.95698	1.6
98.22484	3.1
115.00391	100.0
116.00708	4.8
124.05921	1.5
133.01440	16.8
134.04749	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31936	1.5
52.87813	1.5
65.96431	1.8
70.43077	3.7
70.43448	3.2
71.01389	96.2
71.23207	1.8
72.01737	3.5
72.99316	26.4
76.75583	1.7
89.02454	9.0
115.00388	100.0
116.00695	4.2
133.01442	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	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.05684	1.5
56.28281	1.6
70.84540	4.9
71.01394	16.6
72.99306	5.0
77.03958	2.5
87.04520	1.8
89.02464	2.2
89.03958	3.7
92.02528	1.7
95.05032	1.8
97.93221	1.7
101.53576	1.5
104.02701	2.4
105.03490	4.3
107.03648	12.9
115.00387	17.4
115.01905	4.7
116.80402	1.9
132.02180	28.8
132.86816	28.4
132.90056	7.0
133.02974	100.0
134.02451	2.2
134.03323	6.0
134.04739	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.59357	1.0
54.33435	1.0
58.84563	1.2
71.01388	35.9
72.01710	1.6
72.59553	1.1
72.99312	9.9
77.03970	2.4
77.59778	1.2
89.02452	2.8
89.03973	2.5
92.02573	4.1
95.05053	2.6
104.02705	4.0
105.03480	5.3
107.03651	9.6
109.93357	1.1
113.24641	1.1
115.00379	34.8
115.01914	4.7
116.00696	1.5
132.02177	30.3
132.86812	5.1
132.90013	2.7
133.01541	5.9
133.02969	100.0
133.06659	2.3
134.02470	3.0
134.03439	5.6
134.04718	27.5
146.19356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.39874	1.5
62.55970	1.2
64.46348	1.2
65.00326	2.8
66.26125	1.3
69.06958	13.8
71.01383	19.5
72.99304	5.1
77.03978	21.8
89.02442	3.1
89.03982	6.0
93.03456	3.8
95.05032	25.8
96.05387	1.8
104.02711	3.1
105.03471	58.8
105.88152	1.2
106.03819	4.0
107.03654	3.5
115.00385	20.5
116.00748	1.6
118.40818	1.2
121.02995	2.5
123.04532	5.7
132.02184	24.9
132.86797	2.1
133.01404	3.6
133.02974	100.0
134.03694	11.2
134.04771	5.8
145.84412	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	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75076	0.5
65.01447	1.6
68.02516	1.4
69.43552	1.2
69.43945	1.8
71.23087	0.4
74.03875	0.5
75.00854	0.4
91.12666	0.5
92.02551	12.4
100.41030	0.5
107.03645	44.5
108.04010	1.2
134.04738	100.0
135.04509	4.0
135.05176	1.7
138.83754	0.4
147.01259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37081	0.2
55.01878	0.5
58.00600	0.6
59.01384	10.2
59.98530	0.3
60.99276	0.3
69.49001	1.3
71.01385	4.5
71.73515	0.2
72.99316	17.4
73.99677	0.5
75.00880	100.0
76.01208	1.9
81.83145	0.2
87.00905	0.9
89.02459	5.8
90.02816	0.3
98.22520	0.3
99.00887	0.4
111.64171	0.2
117.01953	1.4
132.21687	0.2
134.96078	0.2
135.03014	17.1
136.03368	0.9
136.94002	1.2
151.92732	2.6
152.92824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0303
Annotation	Threonate
Peak:m/z	Relative Intensity
54.37081	0.2
55.01878	0.5
58.00600	0.6
59.01384	10.2
59.98530	0.3
60.99276	0.3
69.49001	1.3
71.01385	4.5
71.73515	0.2
72.99316	17.4
73.99677	0.5
75.00880	100.0
76.01208	1.9
81.83145	0.2
87.00905	0.9
89.02459	5.8
90.02816	0.3
98.22520	0.3
99.00887	0.4
111.64171	0.2
117.01953	1.4
132.21687	0.2
134.96078	0.2
135.03014	17.1
136.03368	0.9
136.94002	1.2
151.92732	2.6
152.92824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
60.59327	1.2
66.63303	1.3
69.08854	1.0
70.82127	2.4
89.03957	2.3
91.05519	1.2
92.05070	1.5
93.03477	3.5
94.03043	1.5
98.54092	1.0
99.91039	1.2
99.92585	9.5
106.76247	1.2
107.05036	5.4
108.02163	5.5
108.04572	1.4
109.19725	1.2
117.03505	2.1
134.03757	22.8
134.86566	17.8
134.89487	73.0
135.04535	100.0
135.89427	6.0
136.01678	2.9
136.03970	2.3
136.04912	6.9
151.12993	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	135.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08959	0.7
70.51690	1.5
70.52028	0.6
75.00864	0.6
79.49037	0.6
86.93394	0.8
87.75711	0.6
89.03977	2.4
91.05565	1.2
93.03462	2.1
94.02970	1.2
99.92601	3.1
106.04243	0.8
107.05026	5.4
108.02171	2.9
108.04549	0.7
108.05338	0.8
114.36501	0.6
117.03490	2.3
134.03757	25.0
134.86569	10.8
134.89487	29.2
135.04539	100.0
135.89528	2.4
136.01613	1.4
136.04016	1.4
136.04893	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	135.0455
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.10261	0.5
57.98949	0.5
71.08037	0.7
74.88605	0.6
76.54726	0.5
89.03985	1.9
90.02831	0.5
91.05518	1.2
93.03475	1.3
94.03011	0.8
99.92610	2.5
106.04272	1.1
107.05046	5.3
108.02195	2.6
108.04642	0.6
117.03479	2.0
119.62972	0.5
124.87514	0.5
134.02737	1.1
134.03757	23.6
134.86571	7.8
134.89494	24.6
135.04546	100.0
135.89511	1.7
136.03998	1.0
136.04880	9.5
153.78510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0246
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
62.29121	0.4
65.03961	1.2
67.01891	0.4
71.57069	0.4
74.15450	0.4
75.93986	0.4
76.80408	0.4
81.03457	4.4
91.01897	1.2
91.42020	0.4
93.03466	6.9
95.01416	0.5
98.21796	1.0
108.02179	7.1
109.02976	4.9
110.82242	0.4
119.01381	1.3
133.69069	0.4
136.01674	14.3
137.02460	100.0
138.01897	0.6
138.02809	6.3
142.15712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.34952	0.8
58.91473	0.9
65.99841	1.2
70.82790	2.4
71.63440	0.8
79.30271	0.8
91.01875	0.9
94.03061	1.1
94.03824	2.3
104.63496	0.9
108.02185	92.0
109.02522	4.7
111.00875	2.4
137.02028	1.0
137.89192	1.9
138.01990	100.0
139.00493	1.0
139.02373	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	139.1131
Annotation	(2-exo,3-endo)-2,3-dimethyl-Bicyclo[2.2.1]heptan-2-ol
Peak:m/z	Relative Intensity
67.01884	21.2
69.03474	22.8
70.32906	78.6
77.56840	17.7
85.06594	37.5
89.56895	20.4
97.06607	53.3
98.22459	23.2
109.02527	31.7
111.00885	95.6
130.25085	21.2
137.09743	24.4
138.86000	28.3
138.88979	30.3
139.00410	28.0
139.02351	39.4
139.11292	100.0
140.03523	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	21.5
57.49892	3.7
59.01383	16.9
61.92290	5.4
68.99825	8.0
69.03446	4.1
70.16704	10.7
71.01395	55.5
82.02539	4.0
85.02975	5.3
87.00890	11.3
88.44921	4.2
96.99340	25.6
98.21792	4.2
99.04523	10.1
112.98836	41.2
115.00371	7.8
124.97964	5.7
124.98839	77.3
129.89502	4.2
140.98334	11.8
142.98839	8.4
142.99883	100.0
152.63985	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	28.4
59.01396	18.4
68.99817	8.3
69.49387	20.4
71.01395	58.3
72.99309	3.9
80.99820	3.6
83.01404	3.2
85.02956	7.5
87.00874	15.9
96.99329	37.1
98.01888	3.0
99.04560	15.0
102.49803	3.4
110.17782	3.9
112.98831	46.7
115.00388	9.5
124.98828	89.5
125.99182	3.9
129.90454	3.0
140.98317	18.2
142.99881	100.0
143.10820	3.8
144.00194	3.7
150.01250	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	143.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53090	8.3
55.59094	8.5
55.94427	7.7
58.23863	6.6
61.75153	7.1
67.46341	6.6
70.70550	24.2
98.22447	9.2
99.04526	100.0
123.02788	8.4
136.22824	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	143.0352
Annotation	Triacetate
Peak:m/z	Relative Intensity
57.33026	9.4
64.66746	9.4
64.80813	10.6
70.71445	18.6
73.05778	9.1
75.28957	7.7
76.77374	8.3
94.95663	10.0
99.04551	100.0
99.76649	9.1
102.87358	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	143.0352
Annotation	Triacetate
Peak:m/z	Relative Intensity
59.04385	8.1
66.14484	8.8
67.88454	8.2
70.71059	12.2
70.71400	18.3
83.22538	7.7
84.51905	7.5
98.21801	8.0
99.04535	100.0
116.99546	8.8
139.60564	8.9
145.67175	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	144.0456
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
59.78957	0.3
64.43652	0.4
65.99837	0.5
66.99197	0.4
70.73355	0.4
70.73675	0.6
85.46396	0.4
101.06078	0.9
116.05077	3.4
117.03485	0.4
123.16712	0.4
126.03508	2.0
137.03777	0.4
142.03046	0.7
143.86641	0.5
144.04559	100.0
145.04919	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.11906	0.3
65.99863	0.4
69.04170	0.7
69.04572	2.8
85.80530	0.3
97.24491	0.3
98.40632	0.3
99.08192	0.7
109.60340	0.3
112.00459	0.4
116.05062	3.1
117.03474	0.7
117.05453	0.5
126.03509	2.1
128.36395	0.3
131.14760	0.3
142.03035	0.5
144.04573	100.0
145.04924	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	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
50.47948	0.6
60.99369	0.7
69.17023	5.8
78.77767	0.7
80.72164	0.6
85.66563	0.7
89.03999	1.8
111.46676	0.6
117.03484	100.0
118.03808	5.5
145.02977	33.1
145.04140	1.4
146.03319	2.1
147.35335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52595	0.6
70.12242	2.3
89.03976	1.5
105.10127	0.6
117.03481	100.0
118.03801	6.8
118.64733	0.7
119.03857	0.6
134.42670	0.5
136.91711	0.5
145.02971	34.6
146.02380	1.4
146.03351	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	145.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.1
59.01378	0.2
65.65038	0.1
70.68835	0.1
71.01379	0.4
72.00925	0.3
72.04575	0.1
73.04044	0.1
74.02484	1.2
82.02992	0.9
84.04565	1.0
85.02957	1.1
86.02491	0.2
92.95982	0.1
96.93004	0.1
98.02489	0.1
100.04067	0.5
101.02453	0.6
101.07208	0.1
102.05623	100.0
110.02475	0.1
116.03514	0.1
121.81957	0.1
127.05136	0.2
128.03557	34.3
129.01971	0.1
144.95515	0.1
145.06223	0.1
145.09846	2.1
146.04614	11.3
146.10243	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	145.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61366	2.3
59.01377	7.1
69.60721	8.1
69.61130	3.8
71.01373	2.7
92.95988	7.1
96.71500	2.5
97.78634	2.3
102.05622	69.7
117.04661	2.3
118.02974	3.0
126.57075	2.3
128.03548	26.8
144.95496	5.7
145.04095	10.5
145.09843	100.0
146.02502	29.6
146.04561	7.0
146.10222	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31429	1.5
57.03442	2.3
62.86133	1.6
69.98923	6.4
71.05022	2.3
84.73028	1.3
85.02956	5.7
87.00876	5.0
101.06066	2.5
102.05614	100.0
102.43562	1.4
103.05943	2.2
128.03546	33.5
129.01999	2.5
129.04002	1.5
146.02507	2.9
146.04607	8.7
147.06653	1.8
162.90022	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	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
59.95698	0.8
65.23078	0.9
70.59430	2.3
71.83256	0.9
79.82635	1.0
82.02991	1.4
85.02950	1.4
102.05620	100.0
103.05952	2.4
107.90620	0.9
128.03557	33.2
129.03886	1.5
129.16747	1.0
146.04584	10.1
147.04892	1.1
161.75179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	23.1
59.01382	13.3
59.86163	2.3
69.07590	27.6
71.01382	13.1
71.05020	29.8
72.99292	4.3
73.06575	6.4
75.00868	3.9
83.05028	9.7
85.02959	61.2
87.00883	100.0
88.01238	2.6
101.02453	3.3
101.06090	41.0
103.04029	8.5
103.05955	5.6
129.01938	11.8
129.02881	2.4
129.03940	4.6
147.01988	4.5
147.03012	16.9
147.06650	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
57.03445	23.1
59.01382	13.3
59.86163	2.3
69.07590	27.6
71.01382	13.1
71.05020	29.8
72.99292	4.3
73.06575	6.4
75.00868	3.9
83.05028	9.7
85.02959	61.2
87.00883	100.0
88.01238	2.6
101.02453	3.3
101.06090	41.0
103.04029	8.5
103.05955	5.6
129.01938	11.8
129.02881	2.4
129.03940	4.6
147.01988	4.5
147.03012	16.9
147.06650	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
57.03457	21.0
58.03448	2.5
59.01386	13.1
60.80278	2.2
69.06781	21.2
71.01382	12.1
71.05033	42.5
73.06598	8.0
75.00880	3.2
83.05038	10.7
85.02954	59.2
87.00889	100.0
88.01255	2.5
88.53164	2.3
91.76942	2.3
99.00910	2.5
99.04536	4.7
101.02425	4.7
101.06094	54.3
102.05637	5.0
103.04035	9.0
103.05965	8.1
112.40802	2.3
120.54932	2.3
125.01092	2.4
129.01965	15.9
129.03923	3.9
147.03026	15.4
147.04468	2.2
147.06654	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
61.98837	17.0
69.27928	100.0
103.05527	16.8
119.05030	19.8
147.04535	91.1
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	L-Lyxose
Peak:m/z	Relative Intensity
55.01872	3.7
59.01385	30.3
71.01384	36.1
71.31733	6.2
72.99315	23.6
73.02962	24.8
75.00877	100.0
85.02945	5.4
87.00880	9.0
89.01894	3.5
89.02452	65.8
90.02754	3.5
103.04011	6.5
107.86142	2.8
111.64181	2.9
121.03016	4.3
123.92843	3.1
131.03485	12.2
149.04533	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	L-ribulose
Peak:m/z	Relative Intensity
50.02235	1.3
54.53640	1.7
55.01874	2.1
59.01387	17.2
62.82504	1.3
69.03440	4.3
69.42132	6.1
69.42553	3.4
71.01386	37.7
72.99320	10.1
73.02950	26.4
73.04415	1.3
75.00879	44.3
85.02951	3.3
86.04339	1.2
87.00883	14.7
89.02451	100.0
90.02794	2.7
101.02451	2.0
103.04012	6.1
131.03551	8.4
149.04572	32.3
150.04912	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	149.061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89473	0.7
65.00326	2.0
69.48888	4.8
77.03967	1.3
93.03457	6.1
94.99317	1.3
98.21816	1.0
106.04257	0.8
121.02970	17.8
134.03754	100.0
135.04102	7.8
135.27303	0.7
149.02434	7.3
149.06082	3.2
150.00200	1.4
150.03223	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
51.89473	0.7
65.00326	2.0
69.48888	4.8
77.03967	1.3
93.03457	6.1
94.99317	1.3
98.21816	1.0
106.04257	0.8
121.02970	17.8
134.03754	100.0
135.04102	7.8
135.27303	0.7
149.02434	7.3
149.06082	3.2
150.00200	1.4
150.03223	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	149.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99242	20.8
56.39950	21.2
57.03440	69.8
69.26956	19.7
70.21871	38.3
70.33152	23.2
94.99306	97.7
104.97762	27.8
107.08691	20.7
120.05793	30.2
121.02979	100.0
142.77745	19.8
144.74879	21.1
149.02393	31.2
149.06075	38.8
150.00200	58.7
150.05684	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0424
Annotation	Guanine
Peak:m/z	Relative Intensity
59.01347	1.5
65.99819	0.8
66.00973	10.9
67.92816	0.7
71.01350	3.2
71.30934	0.7
71.31351	0.9
78.00970	2.8
79.95737	1.4
82.04080	2.3
85.10558	0.7
90.00979	1.3
93.03401	0.8
95.41575	0.9
101.02448	1.3
107.03669	8.5
108.01368	1.4
108.02065	17.3
108.04512	1.0
122.06126	2.1
123.04533	5.2
124.45606	0.9
126.03111	12.8
133.01582	100.0
134.01924	3.1
135.77380	0.8
136.01645	6.9
150.04248	31.6
150.05606	4.5
151.02647	8.5
151.04051	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	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
52.54467	0.2
59.01382	0.4
69.76665	0.3
71.01364	0.6
71.32513	0.3
71.32955	0.3
92.02699	0.3
94.02905	0.3
95.01398	1.4
106.07254	0.3
106.98992	0.3
107.05045	1.1
108.02185	8.0
119.31635	0.3
122.03742	0.9
123.04504	0.9
136.01671	100.0
137.01993	5.5
151.04013	8.0
151.07597	0.6
151.30016	0.3
152.00002	0.3
152.03424	1.5
152.04564	0.4
167.65985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27878	2.9
55.01880	16.7
65.55923	3.0
69.63346	16.9
81.03474	12.2
92.37242	3.1
97.02962	3.2
108.02150	6.2
108.04572	5.5
109.02959	14.4
117.23467	3.4
124.44519	3.9
125.01527	5.9
125.02455	100.0
125.03337	6.4
126.02820	3.2
131.74509	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	152.9953
Annotation	Hydroxyacetone phosphate
Peak:m/z	Relative Intensity
60.49622	1.9
65.00321	3.5
69.58371	3.9
69.58788	7.9
78.95910	100.0
80.08340	1.9
82.02979	4.9
96.96980	7.4
98.21816	2.1
108.02223	4.1
109.02959	52.4
118.90051	2.0
123.00864	2.4
124.98633	1.9
125.02496	2.5
150.98013	3.1
151.81119	1.8
152.99614	63.8
153.00841	4.2
153.01903	13.8
153.86874	78.4
154.01454	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	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
59.94472	3.3
65.03944	3.4
70.71111	9.5
97.06577	29.0
99.08162	7.8
101.29870	3.4
108.02187	8.0
108.54582	3.4
109.02966	100.0
110.00063	8.9
110.03286	5.4
117.12122	3.3
123.00898	7.3
123.04096	3.9
142.96611	3.7
153.00822	4.9
153.01964	26.2
153.03035	6.5
153.05569	7.3
153.12872	91.1
153.86882	74.6
154.01393	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	154.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49915	1.1
56.58178	1.1
66.03490	3.1
67.03030	8.6
68.73265	1.1
69.49093	6.9
72.00912	14.0
74.02488	1.6
74.73943	1.0
79.05231	1.1
80.03802	13.0
81.04588	19.0
83.01424	1.1
93.03452	3.3
93.04594	100.0
94.04931	3.7
95.02576	1.3
98.22574	2.0
104.11445	1.0
108.05670	9.3
109.04092	4.8
110.07261	19.8
111.00906	2.1
118.04140	3.3
121.71402	1.1
124.04064	1.2
135.72522	1.0
136.05174	8.0
137.02525	2.4
137.03587	50.9
151.03969	1.2
154.06239	95.7
155.02631	2.2
155.06570	1.9
167.20929	1.2
167.83672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79531	0.9
66.03484	3.1
67.01875	4.0
67.03008	11.1
69.32187	4.9
69.32587	2.9
71.01372	1.1
72.00909	13.8
74.02477	1.1
74.10061	1.0
78.95905	1.4
80.03806	12.2
81.04578	15.9
83.01386	4.3
93.03448	3.2
93.04587	100.0
94.04326	1.3
94.04926	2.9
108.05674	9.5
109.04086	8.9
110.02530	1.1
110.03333	1.6
110.07251	24.5
111.00895	7.8
111.04558	1.7
112.30031	1.0
118.04119	4.5
124.04022	1.5
125.07165	1.1
136.05167	6.9
137.03577	55.0
138.03918	1.3
154.01447	2.0
154.06235	95.5
154.97525	2.8
154.99895	1.5
155.06636	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	154.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05375	1.4
61.98836	2.8
65.04012	1.1
69.55202	7.6
71.01379	1.3
82.02981	4.5
83.01395	2.8
85.02935	1.8
93.03464	10.6
95.05032	19.3
96.96046	7.4
100.56087	1.2
105.51357	1.3
110.03291	3.4
111.04523	1.8
124.01674	1.7
127.93169	4.1
139.04024	100.0
140.04344	6.1
153.86876	62.1
154.01450	4.6
154.05133	2.2
154.06363	19.8
154.86865	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	156.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
62.11488	1.4
69.51563	7.6
81.03472	7.3
81.98528	1.3
96.26746	1.4
101.06072	2.7
113.06105	26.2
124.45230	1.3
129.05592	100.0
130.05902	3.5
157.12331	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	156.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
59.01382	100.0
64.28455	2.3
67.03017	4.0
67.07567	2.2
70.86282	3.3
70.86626	5.1
71.01397	3.6
71.86656	2.7
72.00922	3.3
75.28143	2.5
78.95912	3.1
81.97820	2.3
97.54965	2.8
108.71505	2.3
110.06140	5.2
110.07240	3.2
112.04059	2.7
112.08844	3.8
114.05611	61.1
114.98884	11.4
115.02519	3.1
127.00401	2.8
156.06648	4.2
156.07785	39.4
156.99884	6.6
157.02489	3.7
157.07709	5.6
157.08859	4.1
157.12328	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91656	0.7
52.81739	0.7
57.03440	2.1
57.68538	0.7
58.02969	1.1
59.01384	100.0
60.01709	1.3
68.99816	2.5
69.03458	8.2
71.01382	2.6
71.07895	1.6
71.49689	0.8
72.99319	0.9
80.41853	0.8
81.03463	12.1
83.01385	0.9
84.04553	3.7
85.02948	2.2
86.06123	25.9
92.79187	0.7
95.05045	1.3
99.00900	1.4
107.19530	0.7
109.17735	0.8
112.04060	28.3
113.06109	7.6
114.05609	5.0
114.09244	1.6
114.98896	2.8
116.07182	15.4
125.02456	5.6
127.00378	3.2
128.96774	0.8
139.89198	1.8
156.88220	1.6
156.89484	24.1
157.01385	1.7
157.05081	3.0
157.12364	8.2
158.04613	3.2
158.08276	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	157.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00601	2.7
58.02993	6.0
59.01389	98.8
63.30567	1.1
64.20319	1.3
66.42044	1.2
68.05032	1.7
68.99813	4.6
69.03468	21.2
70.87566	3.5
71.01385	5.0
71.08288	1.1
81.03465	32.7
83.05022	2.2
84.04544	2.3
85.02956	1.8
86.06128	12.4
87.90484	1.3
92.94630	1.2
95.05015	1.9
110.55923	1.5
112.04046	17.0
113.02460	3.4
113.06104	12.5
114.05616	3.4
114.09257	14.3
116.07193	100.0
125.02468	15.8
127.00361	2.0
139.89217	2.2
140.07172	1.7
156.89494	18.8
157.01392	2.4
157.05106	2.3
157.12354	7.5
158.04639	1.6
158.08255	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	158.0825
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
54.03435	1.0
57.03434	1.9
58.02692	1.5
58.02981	29.7
59.01385	4.9
60.44600	0.9
66.03479	3.1
68.05049	9.3
68.99800	1.3
70.49592	2.9
71.01378	3.2
73.02933	1.8
83.01361	0.8
84.04556	7.9
85.02943	1.2
86.06119	1.2
97.06570	1.3
98.00124	1.5
98.06148	1.5
99.00879	1.9
99.04521	1.8
99.92605	3.8
111.00887	1.3
112.74162	1.1
113.06034	1.2
114.05618	1.0
114.09261	75.7
114.94949	2.6
115.07662	1.3
115.09583	3.0
116.07189	100.0
116.92867	11.0
117.07497	4.9
129.01950	1.7
140.07164	3.9
158.08238	40.2
158.12665	0.9
158.28299	0.9
158.89290	1.7
159.03142	2.8
159.04538	5.2
159.06619	2.2
159.08623	2.3
174.91106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
51.35432	0.5
52.58782	0.5
57.03446	0.7
58.02977	3.3
59.01390	3.3
66.03464	0.5
66.33134	0.5
68.05057	0.6
70.10006	1.5
70.10390	0.8
71.01366	0.6
72.95123	0.4
72.99335	0.6
73.02927	0.6
84.04542	1.1
86.06122	2.9
97.02941	0.8
99.00866	2.4
103.02871	0.5
112.04075	4.4
114.05658	0.5
114.09261	10.2
115.04033	0.7
115.09653	0.5
116.07193	100.0
117.07529	3.7
147.98196	0.5
158.04584	0.7
158.08247	12.1
159.03200	0.5
159.04527	1.0
159.06622	0.8
159.08646	0.5
176.77287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01721	1.4
60.75926	0.4
65.82092	0.3
71.01394	1.0
71.30981	0.6
72.99339	0.4
73.02964	1.6
74.99398	1.2
81.08315	0.4
85.02989	0.5
87.00896	0.8
88.04105	0.5
97.06619	0.4
99.92648	1.1
101.02443	0.5
111.00930	0.7
114.94983	0.8
115.02531	4.7
116.02650	0.4
116.92887	3.8
116.98706	1.0
117.00465	10.9
117.02242	0.5
117.95538	7.4
118.00552	0.5
129.01994	0.5
131.61755	0.4
147.90285	0.4
158.84747	1.6
158.89278	0.4
158.94049	0.4
159.01573	4.7
159.02962	0.9
159.96599	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	160.0617
Annotation	D-Alanyl-(R)-lactate
Peak:m/z	Relative Intensity
57.03452	6.6
58.02983	4.1
59.01382	15.4
60.99315	0.7
61.98838	0.6
69.03461	0.7
69.99829	2.5
71.01389	15.5
71.05039	1.3
72.99329	3.9
73.02950	7.8
74.02488	4.8
75.00900	0.6
78.09931	0.6
81.03461	1.7
83.01379	1.9
84.04559	21.0
84.11971	0.5
85.02962	11.1
86.06107	1.6
87.00890	5.7
87.04507	0.6
88.04048	100.0
89.02460	2.5
89.04391	1.4
97.02952	1.0
98.02468	0.6
98.06122	8.8
99.00882	1.2
99.04546	1.7
101.02451	1.9
110.13094	0.6
112.04074	1.1
113.02444	1.8
116.03523	0.7
117.05604	0.9
117.95529	2.1
118.05121	5.5
122.26450	0.6
130.05116	17.8
131.03488	4.2
131.05490	0.9
132.02199	1.2
133.02963	11.8
143.03546	0.8
144.03963	0.6
144.68976	0.6
159.03297	0.7
159.89401	11.4
159.96600	0.6
160.04184	2.9
160.06180	12.4
160.89288	6.4
161.02466	8.7
161.04553	6.3
174.88068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
51.41783	0.5
71.16750	0.8
71.17104	0.8
77.01945	0.5
77.03980	1.1
85.31512	0.5
89.03969	1.0
95.05044	0.5
104.02695	0.7
105.03484	2.1
114.78497	0.5
115.01939	1.3
132.02190	12.9
133.02977	100.0
134.03302	4.1
144.16136	0.5
156.71228	0.5
161.02467	51.7
162.02820	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	161.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.2
71.01392	2.3
73.02961	1.1
77.03981	1.3
85.02947	2.5
89.02507	0.7
89.03981	0.9
103.43864	0.5
104.02706	0.9
105.03500	2.5
115.01908	1.8
123.04537	0.6
123.26549	0.6
131.03496	1.0
132.02190	13.6
133.02975	100.0
134.03337	5.2
141.91814	0.6
155.32332	0.5
161.02467	57.5
161.04631	1.7
162.02829	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	161.0245
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
57.03446	1.2
59.01384	4.3
67.66149	0.3
69.03441	0.6
71.01385	4.2
72.99305	0.6
73.02958	2.1
75.00893	0.4
77.03974	1.5
81.03462	0.8
83.01400	1.5
85.02960	5.1
87.00893	0.7
89.02454	0.8
89.03970	0.9
90.03459	0.3
94.77844	0.3
95.05042	0.5
97.02934	0.6
98.21725	0.8
99.04542	0.5
101.02449	0.5
104.02699	0.9
105.03470	2.7
113.02488	0.4
115.01899	1.6
116.92820	0.5
117.03516	1.0
118.03001	0.7
123.04581	0.6
131.03552	2.5
132.02182	13.2
133.02968	100.0
134.03297	4.8
151.08351	0.3
158.77155	0.4
159.87144	0.3
160.01659	2.0
160.84196	0.4
160.89270	0.5
161.02457	72.5
161.04391	4.6
162.02965	3.2
181.02635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0246
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
54.17741	0.3
55.01880	0.3
57.03452	0.5
58.29548	0.3
58.94292	0.3
59.01374	2.4
59.48658	0.3
62.26635	0.3
63.02398	1.0
70.64653	0.7
70.64980	0.5
71.01382	2.4
73.02937	1.0
77.03975	0.4
81.03461	0.5
83.01389	0.6
85.02950	3.1
87.00884	0.5
89.02455	0.4
89.03992	0.5
89.41241	0.3
89.97811	0.3
95.05019	0.3
101.02457	0.4
105.03486	1.5
109.92304	0.4
115.01924	0.4
117.03492	0.9
123.04538	0.7
131.03497	1.3
132.01357	0.3
132.02176	13.4
133.02971	39.8
134.03313	1.6
140.77667	0.3
143.01405	0.3
151.03996	1.9
160.01668	7.1
160.84174	0.4
161.02452	100.0
162.02821	6.4
177.01956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.53590	4.3
55.01885	8.3
57.03453	65.7
58.00590	5.1
59.01385	83.0
69.03445	8.3
69.08100	46.0
71.01389	97.0
71.05030	40.3
72.99315	11.8
73.02955	70.9
75.00888	6.1
81.03470	9.8
82.81052	4.7
83.01392	22.8
85.02960	97.5
87.00900	20.5
88.04042	10.9
89.02462	12.4
89.04379	7.3
93.76118	4.5
95.01408	8.5
97.02975	12.7
97.44556	5.1
98.21785	7.9
99.04525	74.8
101.02466	57.4
107.88558	4.9
109.31210	3.9
113.02470	17.0
115.04043	25.2
117.05615	35.3
118.06055	4.7
131.03545	30.3
132.02199	8.3
133.02980	69.7
134.25063	4.4
143.03508	51.8
151.91582	5.0
161.02501	38.9
161.04550	100.0
162.01955	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	161.0457
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.01875	6.9
57.03457	13.6
58.00609	3.8
59.01384	45.1
64.22697	1.9
67.62280	2.0
69.03474	3.0
70.90630	5.2
71.01388	100.0
72.99309	4.7
73.02950	46.5
74.02459	2.5
75.00885	2.8
81.03444	7.2
83.01405	8.5
84.02166	4.0
85.02958	76.2
87.00878	5.8
87.05655	2.6
89.02452	9.8
95.01401	23.5
96.62696	2.1
97.02954	4.7
99.00867	3.2
101.02461	7.5
113.02446	30.8
114.17455	2.3
131.03499	10.9
131.04530	4.0
161.04587	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
52.60854	0.9
55.01880	1.8
55.58409	0.9
57.03453	7.1
59.01384	26.0
65.56780	1.1
69.02152	9.1
69.03457	1.6
71.01389	36.0
71.05021	1.8
72.99299	4.5
73.02956	15.5
75.00876	1.6
81.03468	3.8
83.01387	7.4
84.02229	0.9
84.79595	0.9
85.02958	28.7
85.64155	0.9
87.00864	4.5
89.02450	4.6
90.97169	1.0
95.01417	3.7
97.02934	2.6
98.22528	2.0
99.04499	4.5
101.02481	2.7
104.02721	1.2
105.03465	2.7
110.51116	1.0
113.02469	6.8
115.01913	1.5
115.04099	1.1
117.05578	1.7
118.02961	1.2
131.03506	9.7
132.02199	12.5
133.02972	100.0
134.03320	6.6
138.39702	1.1
143.03546	1.0
161.02467	56.6
161.04527	14.5
162.02815	3.6
162.05666	2.1
173.72430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24158	0.2
62.75516	0.2
65.03940	0.2
67.04375	0.1
69.63348	1.1
73.94632	0.2
75.18985	0.2
77.23373	0.2
80.30863	0.2
89.02428	0.2
91.05528	0.4
93.03470	1.1
119.05033	100.0
120.04602	0.2
120.05367	4.8
126.06041	0.2
135.04561	0.3
163.04015	6.5
164.04364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16628	1.2
69.12321	5.2
69.12745	6.3
72.00915	14.7
80.21661	1.1
81.11087	1.1
91.01885	3.0
91.05537	19.2
92.05859	1.6
93.03450	4.4
95.70364	1.4
116.44118	1.3
119.05037	100.0
120.05375	4.6
121.03008	2.6
135.00934	1.5
135.04549	9.7
147.04535	32.2
149.02481	2.1
162.89270	2.9
163.00378	7.4
163.04002	11.1
163.06146	1.3
164.03468	2.3
164.07155	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	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
69.63414	1.2
75.52179	0.2
85.65849	0.2
93.03456	1.2
113.65289	0.2
117.03512	0.2
119.05035	100.0
120.05366	5.0
146.76329	0.2
147.38385	0.2
147.89903	0.2
154.56917	0.2
163.04030	5.2
164.04387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83404	0.2
63.97345	0.2
69.63115	0.9
73.89561	0.2
74.42343	0.2
91.05575	0.3
91.73129	0.2
93.03468	1.8
117.03498	0.3
117.59753	0.2
117.88129	0.2
119.05045	100.0
120.05374	5.2
134.03778	0.3
135.04538	0.2
147.08138	0.3
148.01756	0.2
163.04030	5.6
163.11322	1.4
164.04382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	3-Oxo-3-phenylpropanoate
Peak:m/z	Relative Intensity
55.60579	0.4
56.05711	0.5
62.58829	0.4
67.01306	0.4
69.23495	4.1
71.44497	0.5
72.00923	1.3
77.03965	1.3
91.01902	1.1
91.05540	2.2
93.03480	3.5
95.05017	0.5
97.85490	0.5
99.64089	0.5
105.03475	2.3
107.05048	3.8
117.03493	1.0
119.05042	100.0
120.05376	5.3
121.02957	5.7
123.04545	1.7
133.02972	1.0
134.03754	12.3
135.00911	0.6
135.04556	13.0
136.04936	0.7
147.04549	2.0
148.01677	11.8
149.02461	7.2
162.89337	0.6
163.00365	1.9
163.02568	0.7
163.04021	14.3
164.03448	0.7
164.04678	0.6
164.07143	1.2
165.41351	0.4
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	Unknow
Peak:m/z	Relative Intensity
69.51604	2.0
72.00908	0.7
81.70125	0.3
91.01908	0.6
91.05541	0.5
93.03443	1.7
98.21826	0.5
111.55813	0.3
113.77616	0.3
117.03493	0.5
119.05038	100.0
120.04556	0.4
120.05379	5.1
135.04559	0.4
136.29132	0.4
139.15901	0.3
147.04532	1.2
162.89339	0.4
163.00375	1.4
163.04005	5.2
163.05231	0.5
164.07130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.09618	2.6
53.52989	2.8
59.01369	4.4
61.98831	5.0
68.23112	3.0
69.30064	16.5
69.30474	7.0
71.27299	3.1
77.26977	3.1
80.39536	2.7
87.48723	3.0
91.79179	3.3
98.21806	6.5
100.12479	3.3
109.94208	3.2
116.92102	16.9
119.05022	16.2
162.83911	33.7
162.89272	4.7
163.11293	100.0
164.11617	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
58.47627	1.0
65.63998	0.9
70.08920	3.0
70.09325	2.1
71.34655	1.1
72.00916	40.6
73.83038	0.9
83.01848	0.9
91.05529	3.3
98.22437	1.4
103.05553	3.2
119.05022	1.3
147.04532	100.0
148.04828	5.3
164.07175	45.7
165.07481	2.4
173.65775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.9351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03442	0.6
59.01384	6.4
68.99791	0.4
69.82895	0.5
69.83306	1.0
71.01386	6.4
72.99319	4.5
73.02942	2.6
75.00876	10.1
78.95919	1.5
79.95737	1.9
80.96545	0.5
85.02988	0.7
87.00883	87.5
88.01232	1.1
89.02449	2.3
96.96026	2.7
98.22604	0.3
99.00885	8.5
100.01231	0.4
101.02457	3.1
105.01943	61.6
106.02297	1.0
117.01948	2.4
119.03533	0.4
120.94532	4.4
120.95488	0.9
121.02967	2.5
121.94626	0.4
124.00770	1.7
129.01985	0.5
135.02998	1.4
136.94020	100.0
137.94093	7.5
147.03008	5.5
149.00964	0.6
151.92758	0.8
154.95122	0.3
164.93497	13.9
165.04053	33.5
165.92950	3.7
166.01704	0.8
166.04407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0194
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
57.06522	0.6
60.47580	0.6
69.27788	2.9
69.28203	2.1
70.08602	0.8
71.01373	0.9
77.03980	1.9
87.00850	1.0
93.03484	3.0
101.79375	0.7
105.01965	0.7
108.02182	0.8
114.72890	0.7
118.33121	0.8
121.02972	100.0
122.03273	4.1
122.06157	1.1
123.00880	0.8
134.02563	0.8
136.01662	0.9
137.02483	3.1
147.04636	0.7
148.05003	0.9
149.00977	2.0
149.06094	0.8
150.03217	1.4
155.31534	0.7
155.79156	0.7
165.01968	8.5
165.04095	0.7
165.05551	1.6
165.09225	0.7
166.01268	1.1
166.05122	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	165.0408
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
59.01385	8.1
64.14268	0.8
66.35574	0.8
66.96017	0.8
68.19936	0.9
69.66155	4.9
71.01387	7.4
72.99326	6.4
73.02940	3.2
75.00879	28.2
85.02957	1.0
87.00883	100.0
88.01224	1.6
89.02445	2.6
91.50195	0.9
98.22491	1.1
99.00892	10.3
101.02451	3.5
105.01944	77.2
106.02252	1.5
116.03619	0.8
117.01953	2.9
119.03576	1.1
129.01939	1.9
135.02998	2.4
147.02988	8.7
148.49858	0.8
165.04054	46.0
166.04428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0922
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
59.01374	0.5
67.01907	0.3
71.01411	0.3
75.00854	0.2
77.03994	0.4
93.03470	0.7
94.04258	0.7
95.05035	1.9
99.35408	0.3
101.25014	0.3
103.86410	0.3
105.96412	0.3
108.02182	0.5
109.02969	0.3
121.02969	9.5
121.10229	0.5
122.03759	17.9
123.04046	0.4
123.08150	1.6
135.04547	1.2
136.05316	42.4
137.02405	1.3
137.05635	2.3
137.09703	1.3
138.03255	3.0
149.01006	0.4
150.03250	8.2
150.06876	4.1
151.00391	0.3
151.03914	0.3
164.83632	6.3
165.01955	1.1
165.09221	100.0
165.97920	0.6
166.01476	0.9
166.05113	1.0
166.09566	5.8
181.29459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0213
Annotation	Uric acid
Peak:m/z	Relative Intensity
68.95152	1.6
69.00947	11.8
69.45665	8.1
69.46001	1.5
83.35330	1.2
96.02046	17.8
97.00447	4.2
105.21289	1.1
108.02231	2.9
108.04574	6.0
109.04906	1.6
122.06151	8.1
123.04566	4.2
124.01544	71.6
124.98424	2.0
138.05692	2.4
139.05983	1.7
142.02625	3.2
150.05606	6.0
152.01196	4.4
153.00681	1.5
167.02133	100.0
167.03474	3.7
167.08243	1.6
168.02530	2.4
168.06693	3.3
184.52928	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	167.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37558	0.3
69.68844	0.9
79.95737	1.0
85.06595	0.4
89.12598	0.2
90.13235	0.3
96.96023	100.0
97.95941	0.6
98.21835	0.4
108.02186	1.1
123.04549	0.7
123.08160	0.5
124.98445	0.3
152.01186	3.7
153.00697	0.8
167.03841	25.5
168.04160	0.7
178.57129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	100.0
61.98831	4.4
62.12355	1.4
64.63506	1.3
68.99818	1.3
69.03460	2.4
69.57858	9.1
69.95693	1.3
70.12116	1.5
71.75430	1.4
73.00004	1.3
78.93830	1.4
82.95447	2.9
96.30249	1.3
98.21837	1.9
108.15636	1.3
122.89431	2.8
123.00915	5.1
125.02507	9.8
125.98534	2.5
126.90371	4.1
132.86809	6.8
141.02078	1.8
153.00696	36.3
167.87149	17.6
168.02969	7.2
168.06703	1.7
168.13948	5.0
169.01456	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	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99398	0.6
59.01383	5.8
60.01206	0.6
64.70943	0.6
69.17200	6.4
71.01391	2.6
71.57368	0.7
73.01444	0.7
73.11680	0.9
73.98591	1.4
74.99385	2.2
78.95876	0.8
80.96533	0.9
87.00893	2.8
89.94318	0.6
96.96032	2.5
98.21772	1.4
102.94414	0.9
117.00481	1.6
125.00961	67.1
126.01057	5.0
126.98889	100.0
127.98995	6.9
128.03534	1.6
141.97600	21.0
142.97632	3.0
150.97069	1.4
168.99942	32.8
170.00116	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	168.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91370	0.9
59.01386	7.2
69.80276	5.3
73.01463	1.4
74.99387	2.2
96.96020	66.7
98.21836	1.6
104.65425	1.1
109.44688	1.0
117.00458	1.8
123.06481	2.9
125.00963	70.2
126.01125	4.1
126.98888	100.0
127.98985	8.6
128.03568	2.0
139.05934	1.1
139.08775	1.0
141.97592	19.8
141.99933	2.1
142.97769	2.1
151.05988	3.3
168.99953	33.0
169.01765	25.2
170.00063	3.1
189.41908	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	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
57.03446	2.6
67.01882	5.6
68.99833	3.8
69.03464	10.4
70.43301	4.2
70.80371	1.5
71.01372	4.3
77.29584	1.3
81.03465	100.0
82.03797	4.0
85.02969	3.1
95.01401	2.6
96.96021	34.1
97.02959	68.5
98.03320	2.2
99.00883	11.2
113.02457	5.5
125.02463	69.4
125.06088	2.3
125.99609	2.3
126.02807	1.9
126.98907	2.9
134.67105	1.5
151.00391	1.5
169.01581	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1236
Annotation	6-exo-hydroxycineole
Peak:m/z	Relative Intensity
57.03451	1.9
69.03459	2.1
71.05044	1.6
71.33259	1.5
71.33598	1.7
73.89208	1.5
78.82477	1.4
79.17673	1.6
81.03467	2.8
83.05032	21.3
85.06567	7.6
97.02955	3.7
98.70004	1.7
101.06090	60.5
102.06447	3.7
107.05033	2.3
110.02465	1.9
113.09764	1.9
125.02459	20.6
125.09723	7.2
126.98166	2.5
140.08459	14.1
141.12860	9.4
142.91470	1.7
154.01073	3.0
169.01453	5.7
169.05116	2.7
169.08588	2.4
169.12358	100.0
169.87004	2.2
170.12682	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	171.0299
Annotation	5-Dehydroshikimate
Peak:m/z	Relative Intensity
55.01880	5.2
56.40668	0.4
58.02969	1.7
59.01381	20.1
59.92361	0.5
67.01904	3.7
70.66515	1.2
71.01387	16.7
72.99308	5.9
78.95903	2.5
81.03460	11.5
83.05033	12.0
85.02936	0.6
86.06114	0.7
97.02967	3.3
98.00101	0.7
99.00887	100.0
99.05657	0.5
100.01228	1.9
100.07688	1.8
109.02932	0.8
111.00892	52.8
112.01235	1.6
126.34171	0.5
127.04022	49.9
128.04367	1.2
128.07201	0.9
129.24722	0.6
152.95953	2.0
171.03204	3.1
171.04382	0.9
172.06088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
57.02723	0.8
70.02837	1.3
70.03199	3.7
94.22960	0.9
95.07498	0.8
99.92590	1.6
100.12664	0.8
125.09749	3.7
127.11305	7.3
153.09254	1.6
171.01999	4.4
171.10284	100.0
172.10602	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	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	1.6
59.01399	0.4
60.57717	0.3
61.24842	0.3
63.50039	0.3
67.01874	0.5
67.15640	0.3
69.00405	0.3
71.01377	0.6
73.02959	2.3
73.10335	0.3
74.02480	0.8
81.03451	0.5
83.05038	1.2
85.02946	0.5
85.62652	0.3
93.03471	6.1
97.52024	0.3
98.87360	0.3
99.00901	0.9
99.04542	1.1
111.04555	1.5
128.10829	2.9
129.01985	0.4
130.08757	100.0
131.09097	3.6
137.02444	1.4
157.58119	0.3
167.72917	0.3
172.09827	9.7
173.04614	0.4
173.10095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
50.02645	0.8
54.61150	0.7
55.72271	0.9
58.02984	1.5
59.01366	2.4
61.98828	3.0
67.01887	2.3
69.03463	2.0
70.20239	2.6
71.01364	1.9
72.53347	0.7
73.02948	8.4
83.05035	3.7
85.02940	1.4
93.02885	1.3
93.03473	25.1
94.35990	0.7
99.00905	2.7
99.04524	1.7
99.92583	6.4
103.38876	0.8
108.14583	0.8
111.04530	6.4
111.08139	0.9
116.05111	4.4
128.10847	3.9
129.01979	1.0
130.08762	100.0
131.08270	6.3
131.09129	3.3
134.86569	1.8
136.86343	1.7
137.02498	4.3
140.31900	0.8
143.03554	0.8
144.04570	18.7
155.03503	1.1
172.02637	1.2
172.04071	3.6
172.09796	10.6
172.82964	1.5
173.04562	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	172.9944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20966	0.3
55.35771	0.3
59.01382	4.8
62.97686	0.3
67.01909	0.5
69.68416	1.8
71.01391	2.3
72.99318	100.0
73.02962	2.1
73.99666	1.0
74.99373	0.4
74.99743	1.3
75.00893	0.6
78.95914	1.9
81.03468	0.4
83.05051	0.6
85.02951	1.1
87.00883	0.5
93.03464	3.7
96.96031	2.0
96.96960	3.2
99.00866	1.1
99.04556	0.5
101.99601	0.8
111.00896	4.8
111.04539	1.1
112.98847	1.3
114.98058	0.6
115.00407	0.6
117.00465	14.9
118.00558	1.1
124.98827	0.7
129.01982	0.4
131.08284	16.7
133.32112	0.4
137.02516	0.5
142.99866	2.8
144.99965	0.4
154.94696	0.6
154.95766	4.0
156.07832	0.4
172.96841	0.4
172.99513	0.7
173.00999	0.5
173.10492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
57.03450	5.1
60.95785	0.4
64.27827	0.4
67.01895	10.8
70.73087	0.9
71.01388	0.7
85.02958	47.3
86.03300	0.8
88.13967	0.4
93.03471	0.9
111.00890	100.0
112.01241	3.4
129.01950	6.9
131.08286	5.7
132.92879	0.3
136.35576	0.4
138.01877	0.4
142.99892	0.5
146.47681	0.4
154.99907	0.7
173.00882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
51.72111	1.6
53.00306	1.6
55.01887	8.5
56.31048	1.4
57.03439	2.2
58.02969	1.9
59.01386	4.6
59.14439	1.3
67.01908	1.6
68.99819	1.2
69.67642	5.8
71.01389	100.0
72.01727	2.6
72.99316	13.8
73.02947	4.2
74.02457	1.3
80.99767	1.7
83.01389	5.2
85.02963	9.1
87.00883	1.3
93.03448	1.9
96.99312	4.8
98.21794	1.6
99.00892	39.2
111.00893	5.3
112.98846	7.1
115.00343	1.4
118.17648	1.2
124.98833	32.5
128.07216	1.4
129.01962	2.4
129.10321	4.1
131.08331	3.3
142.99878	44.5
154.99869	5.8
172.64294	1.3
173.00906	12.0
173.09315	3.2
176.81937	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.5
55.01880	9.5
55.69955	1.7
57.03453	2.6
57.61987	1.3
58.02993	2.1
59.01390	8.2
59.84753	1.4
68.99820	3.0
71.01389	100.0
71.04247	2.5
72.01732	1.6
72.99323	12.8
73.02959	8.2
73.04093	1.5
74.02477	9.5
83.01388	9.0
83.05083	1.8
85.02933	2.4
87.00883	5.6
92.06705	1.4
93.03461	8.5
96.99345	5.3
97.00433	11.3
97.98856	2.9
99.00895	41.5
111.00900	3.0
111.04543	4.3
112.98831	21.1
112.99960	38.1
115.00392	6.6
116.07181	2.8
124.98821	30.3
128.07211	1.9
129.02063	2.0
129.10341	18.9
131.08282	26.1
137.02518	1.5
140.99368	1.6
142.56400	1.7
142.99876	60.1
144.00272	2.4
154.99901	5.7
173.00916	13.0
173.02141	5.6
173.09306	15.6
174.11397	4.7
178.01137	1.6
186.73868	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.2
55.01880	8.4
57.03447	3.6
58.02984	1.2
59.01386	6.2
66.99534	0.8
67.01894	2.2
68.99828	3.0
69.03471	0.7
70.14231	2.2
71.01387	100.0
72.01734	2.3
72.99313	20.7
73.02946	7.8
74.02482	1.8
75.72732	0.8
80.99832	1.2
81.03477	0.9
83.01392	7.7
83.05041	2.4
85.02966	4.0
85.06599	2.1
87.00877	2.8
88.77473	0.7
93.03472	10.5
96.99308	4.3
97.02934	0.8
99.00890	31.1
99.04538	1.8
101.02460	2.4
111.00896	7.5
111.04533	6.3
112.98823	5.1
112.99911	0.8
114.02010	1.3
115.00388	1.3
116.07208	1.9
117.00469	2.8
124.98818	31.2
128.07240	1.1
129.01950	1.6
129.05582	5.5
129.10352	5.0
131.08279	14.6
131.81242	0.7
137.02457	2.7
142.99875	43.0
144.00252	1.3
154.99875	4.4
155.03491	1.0
173.00912	14.1
173.02324	0.7
173.04599	3.4
173.08113	1.1
173.09329	4.1
174.05621	0.9
174.11462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0821
Annotation	Suberic acid
Peak:m/z	Relative Intensity
53.15495	0.4
53.20119	0.4
54.07471	0.4
55.01863	1.0
57.03455	5.9
59.01380	1.1
65.03963	0.6
66.07698	0.5
67.01900	1.3
69.03448	1.5
71.01385	2.5
71.04990	0.8
71.32356	0.7
73.02953	9.3
81.03448	2.5
82.95479	0.4
83.05037	18.2
84.05375	0.7
85.02956	2.1
88.86403	0.5
93.03467	23.5
94.03796	0.5
99.00896	2.7
99.04533	2.9
106.42164	0.4
109.03053	0.6
109.06613	4.8
111.00894	0.7
111.04544	5.8
111.08174	100.0
112.08511	4.3
128.76939	0.4
128.95256	0.5
129.01939	1.1
129.09230	9.6
137.02477	4.0
145.02972	0.6
155.03537	0.9
155.07140	1.5
155.68352	0.5
173.04599	1.9
173.08218	30.4
174.08568	1.3
174.49222	0.4
179.64034	0.5
190.69128	0.4
192.83629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63446	0.3
53.00299	0.3
57.03442	0.9
58.02967	0.7
58.04102	0.3
59.01382	4.8
67.01888	1.8
70.45337	0.7
71.01388	4.5
72.99301	1.8
73.02948	0.8
80.55771	0.4
83.01422	0.3
83.05031	0.6
85.02965	4.6
93.03466	1.6
94.89580	0.3
99.00882	1.4
99.04528	0.4
111.00891	15.5
111.04521	3.1
112.01217	0.4
112.08795	0.6
112.98819	0.7
113.02523	0.4
114.05621	1.7
114.88354	0.3
116.07191	0.4
124.98806	1.4
129.01949	0.8
129.05606	2.8
129.10364	1.1
131.08273	100.0
132.08647	2.8
137.02380	0.3
142.99864	2.7
156.07816	2.4
173.00974	0.5
173.04555	0.9
173.08109	0.4
173.09276	1.2
173.10468	4.1
174.07719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17942	0.3
57.03443	1.5
58.04102	0.3
59.01377	3.9
67.01893	2.3
67.22546	0.3
67.67789	0.3
69.68508	1.3
71.01064	0.3
71.01385	2.9
72.99313	1.7
73.02956	0.6
81.03472	0.4
83.05060	0.5
83.06158	0.5
85.02952	4.5
85.07708	0.3
93.03452	1.4
99.00913	1.1
111.00889	16.2
111.04530	1.5
112.01240	0.4
112.08829	0.5
112.98790	0.7
114.05608	1.7
117.00432	0.3
124.98819	1.1
128.26086	0.3
129.01936	0.5
129.05585	2.4
129.10370	0.6
131.08273	100.0
132.08655	2.0
140.03477	0.3
142.99860	2.5
153.79533	0.3
155.03508	0.4
156.07788	2.7
173.01137	0.3
173.04550	0.9
173.09303	0.7
173.10548	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	173.1045
Annotation	L-Arginine
Peak:m/z	Relative Intensity
57.50684	0.3
58.04097	0.5
59.01389	0.3
63.51890	0.3
64.66254	0.2
69.43082	1.9
71.18422	0.2
83.06182	0.5
85.02960	0.9
85.95776	0.3
93.03467	0.9
105.55899	0.3
111.00909	1.3
112.08788	0.6
113.07229	0.4
114.05605	1.6
131.08273	100.0
132.08646	2.8
132.83405	0.3
134.91428	0.2
142.61623	0.3
156.07784	2.4
173.10448	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	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01870	0.9
57.03454	0.6
58.00584	1.5
59.01388	29.6
67.01905	0.6
69.03489	0.5
69.57743	3.0
71.01392	37.5
72.01726	0.7
72.99319	7.0
73.02955	2.7
74.02476	1.3
78.42618	0.6
79.01024	0.5
83.01401	2.2
85.02967	2.4
87.00889	100.0
88.01244	1.9
88.04047	3.0
91.69182	0.6
96.99310	0.8
99.00859	0.9
101.02474	1.0
112.98841	2.4
113.02444	1.1
113.07211	0.5
115.00390	95.9
116.00727	2.4
119.00174	0.6
127.00387	0.6
127.05187	0.6
129.01952	0.7
131.04675	1.1
145.06219	3.2
151.83937	0.4
175.02505	19.6
177.08429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01384	43.1
63.65672	0.8
67.67250	0.6
69.03471	0.8
69.69761	0.8
70.59933	1.5
70.60268	0.7
81.85653	0.7
85.02912	0.6
85.06600	43.0
86.06909	0.9
87.04520	1.6
90.97144	1.2
113.06096	38.1
114.06435	1.1
115.04025	100.0
116.04380	2.8
129.05559	1.1
131.07149	8.5
132.07556	0.7
132.98224	8.3
139.87367	0.7
157.05078	9.1
174.82835	2.3
174.84114	1.5
174.86139	1.7
174.88965	0.8
174.99287	1.5
175.06145	38.1
175.07666	1.9
176.03508	1.1
176.06470	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	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
61.30313	0.3
62.44529	0.3
67.01877	0.3
68.23940	0.3
69.33865	1.8
71.01373	0.3
75.00890	0.3
77.03962	1.2
81.03452	2.9
87.65267	0.3
89.03973	10.7
90.04300	0.3
93.03445	2.0
95.05018	1.5
105.03465	16.9
106.03794	0.6
107.01389	0.7
109.02990	0.7
121.02966	1.6
121.82035	0.3
123.04481	0.5
125.07075	0.3
128.37466	0.3
133.02965	31.1
134.03333	1.5
137.02501	0.6
139.04024	1.0
145.49341	0.3
149.02446	4.7
161.65364	0.3
162.03239	0.6
177.01933	100.0
178.02277	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	177.0558
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
69.63459	1.9
70.17783	0.3
71.01366	0.4
89.02450	0.4
89.03970	0.5
93.03468	0.9
94.65319	0.3
98.22483	0.4
105.03468	1.7
108.02142	0.5
108.04533	0.4
110.17639	0.3
117.03470	48.0
118.03666	0.7
118.04246	2.5
121.02962	30.2
122.03300	0.9
123.04527	10.0
133.02957	7.5
133.06564	0.8
134.03748	3.2
145.02960	63.7
146.03270	2.9
147.04485	0.4
148.91434	0.3
149.02440	1.2
162.03233	11.3
163.03656	0.4
177.02167	4.9
177.05571	100.0
178.05948	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	178.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98632	0.6
59.01374	2.2
63.73577	0.7
65.35805	0.6
71.01374	1.1
71.32882	1.1
85.02957	1.1
87.00877	3.1
91.05523	0.7
92.05069	1.9
93.03481	1.2
97.62520	0.7
99.00904	0.8
99.41106	0.6
105.03490	0.9
106.04275	7.7
107.05045	2.2
109.02972	0.9
111.00902	1.5
121.02969	5.2
133.01913	1.3
133.02969	51.7
134.03764	79.3
135.04539	100.0
136.01704	1.3
137.02451	22.7
138.02786	1.2
139.04015	8.1
149.02448	13.0
150.03212	2.7
161.04587	1.8
162.03284	0.9
164.01155	1.1
164.04816	8.1
178.02692	8.7
178.05061	1.1
179.03513	16.3
179.05293	1.1
179.05623	1.0
179.07092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0272
Annotation	p-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
59.01376	1.6
71.01391	1.2
83.86118	0.7
85.36687	0.6
87.00892	2.7
88.27219	0.7
89.04005	0.7
91.05512	0.6
93.03451	0.7
98.30701	0.8
99.00896	1.2
101.02452	0.7
105.03458	0.7
106.04303	8.0
107.05035	1.9
109.03001	1.1
111.00893	2.3
117.03524	1.5
121.02953	6.3
133.02191	1.0
133.02969	65.2
134.03767	100.0
135.04544	96.7
137.02452	29.2
138.02843	1.7
139.04033	9.8
149.02435	10.6
149.53244	0.7
150.03255	4.0
161.04593	1.9
162.03275	0.8
164.01158	1.6
164.04825	4.9
165.02048	0.7
178.02734	11.4
178.05128	1.5
179.03506	12.8
179.05690	1.2
179.07121	1.2
184.80768	0.6
192.65961	0.7
198.74438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63281	0.2
69.64307	1.4
87.00896	0.3
110.95100	0.3
119.93739	0.8
124.42736	0.2
134.96103	36.1
135.96176	2.1
136.94022	100.0
137.94096	7.1
151.92734	16.9
152.92850	1.3
154.95074	0.4
178.95073	53.0
179.95161	3.9
191.24698	0.2
193.20619	0.3
196.96094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
69.63637	1.2
71.89755	0.2
73.02691	0.2
79.05521	0.3
89.04004	0.3
96.56646	0.2
98.22488	0.4
106.04255	0.3
107.05031	1.5
117.03459	0.7
134.02727	0.4
134.03764	6.7
135.04547	100.0
136.04878	4.0
156.26669	0.2
179.03522	12.8
180.03848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
57.03449	0.7
59.01384	10.0
69.03472	1.2
69.23176	0.6
69.75123	3.4
69.99416	0.6
71.01382	6.6
73.02948	1.3
83.01387	1.3
85.02945	3.2
87.00886	15.6
89.02442	1.9
95.01393	1.1
96.97031	0.7
97.02965	1.4
98.22520	0.8
99.00857	4.3
101.02481	1.5
107.05024	2.0
108.02222	0.9
113.02479	1.0
117.01945	3.0
117.03474	0.8
118.99300	0.9
121.02914	0.9
123.04512	0.9
125.02451	2.0
131.40099	0.8
134.03760	7.7
135.04538	100.0
136.04837	4.4
136.94014	2.3
137.02461	1.0
141.01906	1.2
141.86850	2.2
143.86548	3.9
144.87230	1.1
150.94809	1.4
154.38126	0.7
159.87932	0.8
161.04573	8.9
161.87613	1.4
162.83940	0.8
164.01205	1.5
164.04802	1.4
178.85835	1.2
178.95111	1.0
179.03523	17.2
179.05617	9.1
179.07074	1.2
179.84117	1.7
180.06691	1.0
197.55656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95959	0.2
69.63652	0.9
85.78133	0.2
89.03995	0.3
91.05549	0.5
93.03535	0.2
106.04258	0.2
107.05047	1.5
109.02948	0.2
116.94854	0.2
117.03478	1.0
133.03012	0.2
134.03766	7.1
135.04544	100.0
136.04863	4.4
179.03519	14.5
180.03874	0.9
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	muco-Inositol
Peak:m/z	Relative Intensity
55.95503	3.6
56.40952	3.8
59.01382	43.9
69.03443	5.0
69.20640	12.3
69.21057	19.8
71.01385	25.8
73.02956	11.1
78.95923	7.0
83.01396	7.6
85.02937	21.0
87.00883	100.0
89.02463	13.0
95.01400	6.7
96.96024	8.3
97.02967	10.9
98.22540	6.4
99.00896	16.1
101.02457	12.4
107.05048	4.2
113.02470	7.7
115.05064	3.7
117.01972	13.7
118.99315	8.2
121.02980	6.7
122.03729	4.0
122.59975	3.8
125.02458	14.4
134.03708	4.8
135.04535	93.1
136.94055	13.0
137.02504	5.6
137.03557	3.9
141.01968	9.6
143.86523	9.1
150.94817	7.5
151.04024	4.6
151.07672	8.2
159.02998	5.3
161.04558	51.7
164.01176	5.7
164.04771	5.9
172.85179	3.8
178.85855	4.5
179.03575	20.2
179.05675	52.7
179.07141	8.1
179.56937	4.4
179.84079	3.8
180.03053	7.2
180.06705	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	179.0563
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
51.20418	1.0
55.01864	1.1
57.03432	3.2
58.00584	5.1
59.01383	86.4
60.01694	1.1
69.03443	2.8
69.20348	1.1
71.01388	66.4
71.05019	2.1
71.31069	1.6
72.99313	16.9
73.02946	9.8
75.00877	100.0
78.95886	3.8
81.03463	8.0
81.05510	1.2
82.04111	1.0
83.01385	5.9
85.02951	23.4
85.91160	1.1
87.00883	25.5
89.02451	29.7
95.01402	2.6
96.96973	1.4
97.02957	5.9
99.00880	9.7
99.04530	2.7
101.02436	5.8
101.14117	1.1
113.02454	6.1
117.01948	4.7
120.53322	1.2
125.02445	4.6
131.03505	7.7
141.01961	2.4
143.03491	10.1
161.04582	27.4
179.05615	57.2
180.05936	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	179.0714
Annotation	Massariphenone
Peak:m/z	Relative Intensity
55.01880	1.5
59.01382	15.5
69.03449	2.8
70.36099	3.3
70.36438	1.5
71.01389	11.3
73.02954	4.4
75.92548	1.2
78.95905	3.7
83.01376	1.9
85.02960	9.0
87.00876	40.6
89.02427	3.9
93.21589	1.5
96.96026	1.9
96.96996	1.9
97.02953	2.9
99.00879	10.0
101.02470	4.4
107.01410	2.2
107.05028	3.1
109.02986	1.8
113.02432	1.8
117.01941	7.5
118.99304	2.0
121.02975	2.5
125.02422	6.8
134.03731	3.7
135.04538	42.4
136.04858	2.2
136.94032	5.0
137.02495	2.3
137.69307	1.4
141.01952	3.4
141.86829	3.4
143.86516	6.5
144.87160	1.7
145.02957	5.4
146.03745	100.0
147.04396	6.1
148.62247	1.6
150.94817	3.0
151.04039	1.6
151.07687	1.6
159.03069	2.5
161.04564	22.0
161.06078	15.3
162.83827	1.5
163.04031	4.2
164.01195	2.7
164.04794	56.4
164.06177	2.8
165.05023	1.9
178.85843	2.2
178.95052	2.7
179.03566	9.5
179.05609	28.0
179.07155	14.9
179.10669	2.1
179.84135	2.3
180.03001	2.0
180.06648	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	179.0717
Annotation	Isopropylparaben
Peak:m/z	Relative Intensity
57.03430	2.4
58.07669	2.3
59.01362	6.8
61.98820	2.7
64.35356	1.9
70.20626	1.8
70.56430	3.7
70.56750	3.1
71.01374	8.8
72.99294	1.9
73.02948	2.7
78.95911	2.1
83.01389	3.3
85.02954	4.6
87.00890	31.3
89.26589	1.9
91.01913	2.6
93.03461	38.9
94.02959	2.2
95.01402	18.8
96.96973	2.0
97.02961	2.0
99.00887	6.3
101.02468	2.5
107.01386	2.7
108.02201	11.6
108.93751	3.7
117.01931	6.2
121.02971	3.9
122.89394	3.0
123.00916	2.8
125.02478	4.4
134.03783	2.7
135.04544	50.5
136.00729	2.9
136.01685	40.9
136.94051	5.2
137.02481	36.0
138.02827	2.2
141.01883	3.0
141.86819	11.8
142.86868	2.3
143.85493	2.7
143.86539	19.8
144.87187	4.2
150.94838	10.9
151.00415	2.8
151.07680	3.5
159.87817	4.6
161.04593	14.8
161.87570	11.0
162.83989	3.6
164.01170	3.5
178.85844	4.2
178.99832	4.8
179.03497	9.0
179.05623	12.5
179.07137	100.0
179.84094	9.7
179.85838	3.5
180.03004	5.7
180.07602	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	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78288	0.7
59.01376	3.0
68.30188	0.6
69.91299	0.7
70.30513	2.5
71.01389	2.5
73.02965	1.0
85.02958	1.5
87.00887	8.8
88.02268	0.6
95.01413	1.2
99.00880	2.5
101.02381	0.9
101.38839	0.7
101.96605	0.6
107.01376	0.9
107.05029	1.5
117.01945	1.3
121.02976	1.1
125.02492	1.0
134.03764	6.1
135.04538	100.0
135.11807	27.6
136.01653	0.9
136.04869	3.4
136.12180	1.6
137.02475	1.4
141.01952	0.8
151.00301	0.9
151.04037	0.7
151.07640	1.2
151.11290	0.9
161.04591	3.1
164.01212	1.2
178.99858	1.2
179.03511	11.4
179.05721	3.9
179.07094	1.5
179.10779	10.6
180.11092	0.9
180.15459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.9
61.41346	0.6
63.02395	0.7
69.03445	0.9
71.01400	3.6
73.02950	1.6
79.94826	0.6
80.44265	0.7
85.02963	1.8
87.00888	12.1
89.02402	1.5
95.01429	0.7
97.02960	1.4
99.00897	2.6
101.02449	1.8
107.01420	0.8
107.05045	2.6
108.02091	0.6
117.01965	2.0
121.02989	1.7
123.08162	0.7
125.02462	1.7
133.03004	1.0
133.81055	0.6
134.03758	5.3
135.04546	100.0
135.11829	4.2
136.01581	0.6
136.04836	3.9
136.94044	0.9
137.02452	1.7
147.94687	0.6
150.03319	0.7
151.00374	1.2
151.07655	1.2
155.20363	0.5
161.04585	5.9
164.01204	1.4
164.04822	1.9
178.99855	0.9
179.03539	14.8
179.05658	5.9
179.07166	2.2
179.10823	2.9
180.03029	1.7
199.90573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0667
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.30600	0.4
54.26918	0.4
58.00665	0.4
63.95494	0.4
68.57078	0.4
69.63457	2.7
72.00915	40.3
74.02490	4.6
78.98605	0.8
92.46722	0.4
93.03467	31.5
94.03797	0.7
106.04236	3.0
107.05064	2.9
108.02186	1.1
109.02950	0.5
116.57967	0.4
119.05036	86.3
120.05362	3.4
133.05400	0.5
134.06149	2.5
135.04530	1.3
136.07684	1.6
137.94139	0.6
138.03307	0.5
138.93810	0.7
158.52658	0.4
162.05606	1.8
163.04019	100.0
164.04346	5.6
171.15797	0.5
180.06671	97.7
181.07010	4.6
183.21017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.991
Annotation	2-Oxo-4-phosphonobutanoate
Peak:m/z	Relative Intensity
52.87631	4.3
55.22644	4.7
55.33814	4.7
56.77848	4.4
59.01379	9.2
63.96244	12.3
65.41466	4.5
69.03456	8.4
69.31428	28.2
69.31850	14.5
71.01393	14.5
73.02938	6.4
76.55103	4.5
78.98592	38.7
81.03465	7.8
89.02439	6.9
99.04525	14.9
101.02455	14.6
102.94381	7.9
122.84715	4.8
125.02461	69.5
125.06663	4.7
137.02483	4.7
162.98050	99.5
180.99095	100.0
181.01541	10.4
181.07150	8.4
181.99387	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	181.1236
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
53.50104	6.7
57.40239	6.1
59.01378	28.8
71.01398	31.0
80.96524	7.1
82.41369	5.6
85.02959	6.0
89.02451	15.3
93.03463	28.1
94.90869	6.9
95.01375	9.9
101.02455	21.4
109.02945	8.3
112.05172	6.3
123.00909	25.9
137.02455	8.0
137.06178	6.9
151.00366	44.3
166.02718	49.0
166.99808	8.8
181.01418	7.5
181.05037	19.0
181.07178	19.9
181.08733	26.8
181.12337	100.0
181.92953	15.5
182.04630	7.7
182.12617	5.7
192.14566	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	182.0096
Annotation	Enaminomycin A
Peak:m/z	Relative Intensity
63.61295	0.3
67.01876	0.5
69.24319	2.3
69.24721	0.7
87.98456	0.4
95.01404	1.1
98.22473	0.6
108.02179	46.3
109.02526	1.3
123.00890	2.6
138.01979	100.0
139.02344	3.6
141.34386	0.4
166.99858	1.1
167.99358	1.9
181.92917	1.0
182.00951	20.4
182.04584	1.0
183.01566	0.5
183.02921	0.4
183.06737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
53.68184	0.8
57.03439	2.4
61.92161	0.9
61.98820	2.2
62.01889	0.8
67.01859	1.2
69.03458	4.1
69.87383	3.1
83.05041	4.2
85.06585	9.4
95.01397	1.7
95.05027	1.9
97.06599	12.0
98.22646	1.1
105.53387	0.9
111.00890	2.0
111.08174	1.5
123.00875	0.9
123.08176	5.1
124.01683	1.7
137.09734	1.6
139.11298	100.0
139.99864	1.1
140.11626	4.6
153.00719	1.1
167.99411	9.2
182.93036	1.1
183.00491	4.5
183.02939	1.7
183.10318	4.4
183.13779	1.0
184.01071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
61.98832	0.5
67.06373	0.4
68.99838	0.6
69.60364	2.1
69.60780	0.8
91.62976	0.5
94.02978	0.5
95.01415	0.8
111.00892	1.0
140.07098	0.7
153.00655	0.6
167.99370	4.4
168.00662	1.2
183.00496	3.5
183.03098	0.6
183.04893	2.0
183.13908	100.0
184.14221	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	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52412	7.8
52.58506	8.8
54.28431	8.0
59.01377	24.5
60.17549	8.0
69.23116	57.7
70.27649	7.4
73.40767	7.8
95.50536	7.5
106.82388	7.6
116.42251	8.3
134.02361	8.3
140.02057	58.3
141.99982	11.7
155.91766	8.4
170.62151	8.5
180.97565	8.1
184.01021	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.0
69.53330	39.1
71.01388	11.4
78.95908	38.4
81.26733	8.1
82.77162	7.3
87.00888	16.6
96.96967	31.7
98.22415	13.7
100.04086	11.0
103.13431	8.1
111.04524	9.4
112.04037	9.1
124.04077	9.8
133.57953	7.9
140.02039	57.6
140.07172	10.5
141.99968	24.8
142.96628	69.3
156.99957	11.1
157.95367	20.4
158.03752	10.1
160.97733	33.8
175.96410	7.8
184.00150	100.0
184.01164	62.4
184.06094	9.9
184.97658	11.8
185.01154	10.4
185.09402	10.7
202.98813	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22171	5.7
57.48346	6.9
59.01380	17.1
69.84747	27.9
94.01068	6.8
95.84914	6.6
98.21822	8.8
104.07648	6.8
110.13611	6.1
139.56630	6.5
140.02039	58.7
141.99982	12.3
160.97600	7.9
184.01033	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	185.1187
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
59.01368	2.0
66.42841	2.2
69.15734	19.3
69.16466	1.9
125.87391	2.1
127.35215	2.1
140.89774	3.2
140.93971	3.2
141.12886	2.1
167.10796	2.7
185.11856	100.0
185.15453	4.0
186.12144	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	186.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20076	0.2
58.02987	4.0
59.01387	1.7
59.82194	0.3
65.80121	0.2
66.03478	0.9
67.44601	0.2
68.05064	2.4
71.43600	0.2
73.04037	0.2
96.29628	0.2
114.09264	100.0
115.09592	2.9
122.28123	0.3
125.09722	0.7
125.53053	0.2
131.46878	0.2
144.10326	31.9
145.10681	1.0
186.11349	2.8
187.09766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	82.3
59.49127	0.7
59.81811	0.7
59.89678	0.8
60.01729	0.8
61.98829	3.1
63.29533	0.7
70.09857	0.7
70.63464	0.9
70.63766	1.2
87.28013	0.8
100.89116	0.9
115.02514	6.0
117.00433	6.7
142.89444	1.0
143.02017	3.6
159.01511	100.0
160.01591	6.8
187.01010	10.1
188.00740	0.8
199.28464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03010	3.6
58.02978	2.4
59.01386	65.2
61.98831	3.8
65.79675	1.0
69.74132	4.5
70.53868	0.8
74.02480	12.2
74.12553	0.8
85.04092	1.3
88.04142	0.8
90.97140	1.2
97.02955	1.3
99.04528	1.2
112.52296	0.8
114.05648	1.6
115.02533	2.7
117.00450	6.1
125.09716	2.2
126.09252	2.0
128.03552	1.0
131.08284	100.0
132.08615	1.4
134.68352	0.9
142.08739	1.3
142.89398	2.0
143.02029	3.3
143.11928	12.7
144.99898	0.9
145.09933	1.8
156.07808	1.8
158.33224	0.8
159.01515	75.4
160.01611	5.2
170.09360	1.6
187.01042	9.1
187.10826	17.1
188.00664	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	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93711	4.8
69.83170	21.8
82.63902	4.7
89.76153	3.9
92.75666	4.8
99.04522	100.0
140.49065	4.7
143.03532	19.9
143.11900	8.1
159.07529	4.9
181.56805	5.0
189.51587	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	187.025
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37044	12.5
70.37410	10.3
99.04527	100.0
105.22617	4.8
109.73073	4.9
123.46725	5.2
143.03474	25.8
169.22322	5.5
187.10989	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	187.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	7.8
59.01387	99.0
69.94137	9.5
69.94546	14.4
71.05024	15.3
73.02950	7.9
74.02484	47.7
81.01234	5.3
81.03481	5.6
82.06648	7.3
83.89536	4.6
86.40417	5.6
88.04062	12.5
92.19888	4.9
97.02951	26.4
97.06587	4.5
99.04535	100.0
111.87625	4.6
115.04018	20.0
117.00468	10.2
125.02435	19.7
125.06094	13.1
126.09264	18.4
130.08742	17.3
142.08705	5.3
143.03514	13.6
143.11926	70.5
145.09856	10.3
159.01508	85.8
160.01608	6.8
187.01064	7.7
187.10909	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.33006	0.8
51.63558	0.8
56.82166	0.8
57.03436	3.7
59.01390	4.4
61.98833	5.4
66.50663	0.9
68.90069	0.8
69.03397	0.8
69.51797	5.1
78.74397	0.8
90.97142	1.0
95.05052	1.0
97.06599	13.6
98.22475	1.7
102.66087	0.7
110.65298	0.7
122.89400	0.9
123.08183	6.3
125.09734	100.0
126.10075	3.0
132.98268	0.8
136.91542	0.8
141.86842	13.9
142.13107	0.8
142.89355	1.0
143.10796	2.4
158.50555	0.8
159.01477	1.5
159.87885	5.2
168.10466	0.8
169.08672	2.6
178.88812	0.8
183.55382	0.9
186.85620	1.1
187.09770	36.9
188.10109	1.8
202.09975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77619	0.9
54.70499	0.9
58.02962	1.2
59.01382	9.8
61.98838	2.1
70.21503	3.9
71.01404	1.0
73.04078	36.7
78.48665	0.9
78.95913	1.1
90.97147	1.4
99.04546	2.4
102.05625	1.0
114.09261	2.4
125.06074	3.3
125.09742	2.6
130.08754	100.0
131.08267	16.7
131.09149	2.4
141.86816	5.6
143.07248	1.1
143.11913	59.3
144.12277	1.6
145.09879	1.2
159.01508	5.6
159.87920	2.4
186.85548	1.4
187.06236	1.8
187.10905	60.8
188.11224	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	187.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.5
59.01381	14.6
66.03456	0.7
72.00900	1.1
73.04082	0.9
74.02480	40.2
82.06644	3.5
85.03632	0.7
85.04085	3.5
87.05644	0.9
88.04050	22.0
97.02963	1.4
99.00861	1.3
99.04524	4.2
115.02544	0.9
115.08768	2.0
116.07208	4.7
117.00423	1.4
125.02522	0.8
126.09269	14.2
127.00440	0.9
130.08766	1.4
141.10396	1.6
143.02011	1.1
143.11914	62.4
144.12248	1.6
145.09851	12.6
159.00333	1.4
159.01526	15.3
160.01610	1.3
187.01045	1.6
187.10898	100.0
188.11266	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	187.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98949	0.9
55.02988	3.9
56.01058	1.0
58.02972	5.7
59.01386	63.5
60.01709	1.3
61.98822	4.8
69.48711	2.4
69.49115	4.3
72.70661	1.0
73.04078	1.9
74.02483	35.8
82.06612	2.5
85.04061	3.4
90.97156	2.5
91.18211	0.9
91.18787	0.9
99.04523	3.0
100.07662	1.2
102.05647	1.5
102.88841	1.0
114.05631	2.2
114.09257	4.3
115.02531	2.6
117.00439	4.7
125.06139	1.3
125.09743	2.2
126.09255	11.0
130.08708	2.2
131.08284	100.0
132.08652	1.6
132.98164	1.3
141.86816	4.8
142.08760	4.6
142.89391	2.2
143.11920	36.8
145.09808	3.1
156.07770	1.9
159.01518	74.1
159.87874	2.9
160.01651	5.0
168.88976	1.2
186.89908	1.4
186.95546	2.3
187.01025	7.7
187.10866	42.8
188.09265	6.8
188.11000	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	187.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18389	2.1
58.02985	27.7
59.01382	32.0
62.02665	1.9
69.04819	1.9
69.46925	12.2
84.04523	2.3
88.04043	2.9
98.02480	2.6
99.04530	91.4
100.07708	18.9
100.08300	3.3
102.05618	86.0
105.37158	2.4
116.03580	2.7
125.02464	5.2
125.07183	2.6
126.05612	5.3
127.05140	3.6
128.03552	80.4
131.08278	6.0
136.00862	1.9
141.10330	3.6
143.03493	19.6
143.11929	13.0
144.06696	21.2
145.06198	2.4
145.09843	65.9
146.04588	8.2
146.10204	3.1
170.04628	15.3
187.10895	100.0
188.05653	18.0
203.57840	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	187.1204
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.03009	3.9
58.02983	1.5
59.01388	31.5
69.12509	6.1
71.05036	0.8
74.02479	1.5
89.49416	0.7
99.04524	5.1
102.05607	0.8
104.22415	0.7
110.78743	0.7
114.05621	1.3
115.02542	1.9
117.00468	2.9
125.06062	0.7
125.09751	0.9
128.03494	0.9
130.08736	1.8
131.08281	100.0
132.08609	2.6
143.02010	0.8
143.03529	1.1
143.07155	0.7
143.11923	2.1
145.09857	2.0
150.22722	0.6
156.07796	2.6
159.01514	37.8
160.01672	2.2
170.09343	1.2
187.00990	4.6
187.10703	5.3
187.12106	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	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.01640	0.6
57.03435	2.2
59.01382	7.1
61.98835	3.0
69.65575	0.6
70.50420	1.0
71.04996	0.9
74.28841	0.6
83.05021	1.5
86.51809	0.6
99.08169	26.5
99.92538	0.8
101.06120	0.7
103.92075	0.7
122.82642	0.5
127.07666	29.3
128.08015	0.7
129.05592	100.0
130.05925	2.8
130.94394	0.6
141.32796	0.6
142.86797	0.6
143.07127	0.7
143.86523	8.8
145.08720	5.1
153.53175	0.6
160.97679	1.5
161.07196	1.7
161.87572	4.1
171.06645	5.1
189.07716	34.9
190.08144	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	189.0923
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
50.45444	0.5
59.01387	0.7
59.84919	0.4
61.98814	0.9
63.68232	0.4
63.88961	0.4
70.21153	1.6
70.21494	0.5
72.99311	0.4
74.72427	0.4
87.04529	8.1
87.51633	0.5
91.05546	6.8
101.03974	0.7
106.83645	0.4
109.16807	0.4
117.03482	29.9
118.03807	1.0
119.05044	3.3
135.04536	1.3
143.86522	1.8
146.02510	0.4
146.03746	1.4
160.97673	0.7
161.09753	5.2
161.87607	0.6
171.08165	1.0
189.09227	100.0
190.09595	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78316	0.6
57.03452	5.7
59.01365	1.4
64.29182	0.5
67.01892	3.5
67.02469	0.4
71.01398	1.0
71.07811	0.9
72.99319	1.3
81.58689	0.5
85.02958	29.6
87.00886	46.6
88.01264	0.5
92.95940	0.7
93.03483	0.7
105.04443	0.5
111.00893	100.0
112.01227	2.7
112.98801	1.0
129.01945	5.1
130.99904	0.7
148.94951	1.6
154.99870	1.0
173.00914	1.6
191.02011	9.1
191.03754	1.0
191.05624	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	191.0202
Annotation	Citric acid
Peak:m/z	Relative Intensity
52.61687	0.4
57.03213	0.6
57.03457	6.7
59.01381	1.1
67.01910	3.5
70.49313	1.0
70.49648	0.7
72.05262	0.4
72.99319	1.7
73.02982	0.4
76.96518	0.8
79.22453	0.4
85.02963	29.4
86.03319	0.9
87.00890	48.2
88.01221	0.9
92.95997	3.2
93.03487	0.8
103.04073	0.4
111.00897	100.0
112.00250	0.4
112.01204	2.4
115.00378	0.5
117.01973	0.6
129.01964	5.9
130.99887	0.7
148.95000	5.4
149.95061	0.8
152.34142	0.4
154.99893	0.7
167.41862	0.4
169.99939	0.4
173.00926	1.6
188.02837	0.5
191.02026	9.4
191.05635	7.8
202.44443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0353
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.51037	0.3
55.49543	0.3
57.03432	0.4
59.01378	0.8
61.98821	1.3
62.76189	0.3
70.45576	0.3
70.55991	1.0
85.02946	2.9
87.00877	2.9
89.00087	0.3
93.03481	0.6
109.02982	0.3
111.00890	4.9
118.99325	1.4
119.05038	1.2
120.90253	0.4
121.02965	100.0
122.03297	3.4
130.30995	0.3
137.00401	0.4
145.86295	1.5
147.04518	5.4
147.92572	0.7
163.04071	1.0
163.87337	0.7
190.85236	0.5
190.97795	0.6
190.99722	0.4
191.01945	0.4
191.03539	6.4
191.05638	5.0
191.10747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
50.13462	0.5
57.03450	9.0
59.01382	8.8
67.01897	3.5
69.03459	1.1
69.42742	2.9
69.43134	0.8
71.01024	0.8
71.01393	9.4
71.05026	0.6
71.72643	0.4
72.99315	11.9
73.02946	2.3
73.91376	0.5
75.00873	1.9
76.96501	0.5
80.02708	0.5
80.96519	0.7
81.03448	1.0
83.01401	2.2
83.05032	1.0
84.78637	0.5
85.02959	45.6
86.03300	0.8
87.00885	60.7
87.04527	1.2
88.01220	1.2
89.02450	1.3
90.81905	0.4
92.96001	6.2
93.03479	3.4
93.96091	0.6
99.00922	2.6
99.04514	1.2
100.90150	0.5
101.02461	2.9
101.06072	0.8
103.00360	0.7
103.03977	0.5
109.02966	0.7
111.00891	100.0
111.04516	2.0
112.01181	2.5
112.98821	8.9
113.02444	1.2
115.00358	1.7
116.07192	1.1
117.01937	1.3
118.05106	0.5
124.01692	4.6
127.04015	2.1
129.01953	7.7
129.05585	1.3
130.99919	1.0
131.03511	6.7
131.04616	1.4
132.94691	1.0
133.01421	1.6
147.02979	1.3
147.04640	0.6
148.94987	16.2
154.99889	0.8
161.05696	0.6
171.03062	0.9
173.00926	1.7
173.04558	1.5
176.01132	0.5
190.96033	1.5
191.02014	10.0
191.05620	47.8
192.05998	1.8
197.89368	0.4
204.87523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
54.96141	0.8
56.46508	0.8
59.01390	1.0
71.31312	1.4
86.20017	0.8
88.69266	1.1
89.04022	0.8
93.03434	1.5
96.57366	0.8
97.91874	0.8
106.04263	1.0
109.02954	1.4
121.02991	3.8
133.02950	5.9
134.03754	100.0
135.04094	3.2
137.01466	1.3
137.02463	19.6
139.04037	7.1
144.17458	0.8
149.02405	2.1
149.06111	15.7
149.92252	0.9
150.03239	1.9
150.94821	3.9
160.93179	0.8
178.02728	57.3
179.02132	1.3
179.03174	1.1
192.96048	1.1
193.01337	1.1
193.05081	16.9
193.08659	1.1
194.04649	0.9
194.08154	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	193.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98023	1.8
59.01386	4.2
61.98813	1.3
69.15321	4.3
69.15749	7.1
78.65979	1.3
86.65580	1.3
89.03993	1.3
93.03506	1.6
95.01380	1.3
97.37541	1.2
98.22543	2.3
101.02448	1.5
106.04190	1.5
106.08647	1.3
109.03005	1.8
121.02971	4.9
123.02752	3.1
123.04613	1.4
129.92332	1.6
133.02946	6.5
134.03758	100.0
135.04080	2.8
137.02457	23.6
139.03996	6.0
147.02794	2.6
149.02444	3.1
149.04330	7.5
149.06085	19.4
150.03316	2.3
150.94827	7.9
161.02435	2.0
167.01776	2.4
178.02734	59.3
179.02092	6.2
192.95847	4.3
193.01537	1.7
193.05054	24.8
193.06769	2.5
193.08768	1.8
193.88536	1.4
194.08125	1.9
209.07187	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	193.0507
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
59.01381	3.3
60.15860	1.0
63.75626	0.9
63.83522	0.9
66.58872	1.0
68.36704	0.9
70.51440	1.1
70.51974	0.8
70.60214	1.9
70.60551	1.1
71.01391	1.2
78.95949	0.9
80.78706	0.9
85.56170	0.8
101.02484	1.4
106.04261	2.0
107.01452	0.9
108.93726	1.4
111.00925	1.0
113.02428	1.3
121.02953	4.4
122.89660	0.8
133.02994	5.8
134.03749	100.0
135.04088	4.3
137.02441	20.6
139.04010	5.4
140.27611	0.9
149.02412	2.6
149.06076	15.1
150.03281	2.9
150.94794	9.5
158.84645	6.7
165.01939	1.1
178.02708	59.7
179.02179	1.3
191.75732	1.1
192.95853	3.4
193.01404	1.5
193.05051	19.2
193.06802	1.6
193.81532	2.7
194.08144	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	193.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.1
59.01380	3.0
65.03962	6.6
67.01894	3.3
70.18098	1.7
70.72558	2.7
70.72889	2.4
71.01393	4.3
71.05026	15.0
75.25434	1.6
79.05592	1.8
85.02953	2.0
90.27518	1.9
93.03477	4.2
93.07113	22.0
93.24021	1.7
94.04256	2.1
95.03989	2.1
95.05017	2.3
95.59021	1.9
101.02441	3.4
106.04274	4.8
106.06643	13.0
106.35239	1.8
107.05049	9.3
108.02140	3.0
109.02982	2.6
120.05832	40.3
121.02959	9.9
121.06639	3.8
121.10295	3.7
128.39870	1.7
133.02988	7.1
133.06595	2.2
134.03764	100.0
134.07414	32.1
135.04126	3.1
137.02451	24.6
139.04007	6.8
144.08141	1.8
147.08199	15.5
148.83998	1.6
149.02440	5.6
149.06108	30.4
149.08551	2.7
149.09740	50.8
150.03250	5.3
150.05562	4.3
150.10150	2.0
150.94846	3.4
161.02420	3.9
165.09261	2.7
178.02736	61.7
179.02249	9.9
192.95912	2.2
193.01445	5.3
193.05038	32.5
193.06798	2.5
193.08736	14.5
194.04642	3.3
194.08253	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	195.0301
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
53.93993	0.3
54.57032	0.3
69.87634	1.5
71.41120	0.3
73.95115	0.3
77.03973	0.9
93.03478	0.7
95.05032	3.4
105.03471	4.1
107.05035	3.6
108.02197	0.6
109.02956	0.6
112.62643	0.4
121.02953	1.3
122.03733	0.5
123.04537	5.2
133.02954	2.1
141.92886	0.3
149.02341	0.4
150.03207	2.1
151.04021	100.0
152.04344	3.9
152.91814	0.4
158.06462	0.4
195.03003	28.9
196.03310	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	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.64702	1.3
57.03441	5.2
59.01384	24.8
67.28443	1.3
71.01382	11.9
71.06068	2.1
72.99313	8.6
75.00880	100.0
78.95898	5.7
80.07664	1.5
83.01405	1.4
85.02953	7.6
87.00867	13.9
89.02460	10.3
96.96004	2.5
96.96963	9.4
99.00880	9.8
101.02449	2.3
102.46994	1.3
105.01936	11.2
111.00893	3.7
129.01967	31.9
136.79268	1.2
141.01950	3.2
147.03017	3.0
159.02989	11.0
177.04063	7.0
181.03358	1.2
188.41641	1.3
195.05112	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1027
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.69474	1.0
57.03457	5.4
65.03976	1.5
67.05540	1.0
70.05429	1.0
71.04656	1.8
71.05018	19.4
79.05528	4.1
80.11901	1.1
81.64635	1.0
83.05032	1.3
93.07104	16.6
95.05014	1.5
97.06598	1.8
109.06574	1.4
121.06617	1.6
123.04543	1.3
133.10248	100.0
134.10550	3.5
135.00980	1.6
149.09702	4.2
150.03242	1.5
151.04025	3.7
151.11298	25.3
165.58774	1.1
167.28140	1.0
177.09273	3.1
180.04362	2.1
181.00182	4.0
194.95935	1.0
195.03023	1.9
195.06828	2.0
195.10275	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.13657	0.4
60.23878	0.4
61.98815	0.4
69.54602	2.4
89.16703	0.3
101.60353	0.4
109.06608	3.8
111.08160	3.8
116.50239	0.3
122.03748	0.5
125.09758	0.7
135.11800	0.3
138.06886	1.0
151.11247	0.6
160.84239	7.2
167.14407	6.7
179.10800	5.2
194.92844	0.4
195.13911	100.0
195.81081	2.8
196.14232	5.0
200.56853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87141	2.4
62.88945	2.4
69.03455	4.6
70.83543	6.5
72.99310	2.1
81.03469	17.2
97.02963	100.0
98.03219	2.6
100.46969	2.4
112.11804	2.6
121.03067	2.9
123.00896	3.6
125.02466	90.6
135.04526	5.4
141.01979	10.9
147.47725	2.1
152.04407	3.2
169.01660	2.4
169.97919	2.4
182.02203	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	196.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31895	1.7
69.03452	3.2
71.16248	2.0
71.73680	1.7
72.74429	2.0
81.03461	21.5
86.95192	1.7
95.01424	3.5
96.96010	1.5
97.02959	97.0
98.03260	2.6
122.08662	2.0
123.00883	7.2
123.04486	2.2
125.02457	100.0
126.02833	3.2
135.04533	4.9
138.03236	2.3
141.01964	14.9
152.04370	7.9
153.05650	1.9
166.99878	6.8
169.01486	2.9
181.00258	5.0
182.02252	11.5
196.25858	1.9
197.04575	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00334	1.9
52.43797	0.5
57.03431	0.5
59.01373	0.6
61.56222	0.5
61.98819	1.5
65.01451	0.7
65.03963	0.7
65.99857	3.7
66.03471	0.5
67.01877	1.1
68.01388	1.5
68.99827	0.8
70.83308	1.0
70.83633	0.5
76.01940	2.2
77.00345	0.8
78.03498	3.8
80.40299	0.5
89.71162	0.5
92.01421	1.6
92.99833	0.6
94.03002	1.7
95.01403	5.5
96.96013	0.5
97.02960	0.6
103.97670	0.6
104.01441	3.7
104.99792	0.8
105.02223	0.9
106.02985	0.9
108.02159	1.3
109.02953	4.4
112.01666	0.6
116.92868	1.2
119.02502	0.9
120.00952	2.6
121.02934	1.6
122.02486	2.5
123.00900	12.3
126.90449	0.9
132.00900	1.5
133.01712	4.2
135.02040	0.6
136.00394	1.1
137.02458	2.1
138.01979	2.8
138.03236	2.3
139.99942	0.5
150.02000	8.1
153.05617	1.4
153.12871	1.9
160.84236	3.0
162.83910	8.4
163.01468	2.0
166.99876	8.0
167.02174	2.4
167.14999	0.5
167.99388	8.6
168.01678	1.5
168.90405	0.9
176.17909	0.5
179.01024	4.2
180.01797	6.6
182.00609	0.9
182.02231	14.4
183.01717	8.0
197.02049	100.0
197.11838	1.1
197.80765	3.5
198.02353	3.7
198.04140	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	197.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04923	0.6
59.70856	0.6
61.98821	1.5
63.87992	0.6
64.01913	0.7
65.03957	1.1
69.31694	5.5
70.41202	0.7
81.03432	1.0
93.03456	1.1
95.01422	3.5
100.85954	0.7
101.08330	0.6
109.02955	13.3
116.92861	1.6
121.02974	3.7
123.00903	14.2
125.93626	1.5
126.90500	1.3
137.02457	20.2
138.01964	1.1
138.03204	2.7
139.02756	0.7
140.03552	4.4
150.01952	3.4
153.01866	0.7
153.05603	1.3
160.84213	6.9
161.84305	0.8
162.83920	21.3
166.01537	0.9
166.99910	9.1
167.02206	10.2
167.03520	1.0
167.99380	10.0
180.01782	14.0
182.00583	1.6
182.02208	18.2
183.01703	9.1
197.02049	100.0
197.04448	2.8
197.04781	2.9
197.11783	1.0
197.15436	0.8
197.80800	17.1
198.02379	3.8
198.03972	1.2
212.00732	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.42466	0.6
58.16959	0.5
61.98840	1.4
67.01884	0.6
67.17931	0.5
69.03443	0.6
71.04647	0.5
71.05016	0.9
71.35921	0.6
71.36249	0.8
95.01427	3.1
95.03942	0.6
97.06594	13.9
99.08168	4.0
103.41890	0.5
109.02988	0.8
109.06560	0.9
109.61439	0.6
109.99932	0.5
111.08134	0.7
116.46321	0.5
116.92882	1.6
121.02959	1.5
122.03775	1.7
123.00904	9.9
125.09752	1.5
125.93640	1.3
126.03260	1.1
126.90530	0.9
137.02446	1.0
137.09709	1.8
138.03278	2.6
151.11272	1.1
152.96016	1.1
153.01990	0.7
153.05556	1.4
153.12869	100.0
154.13176	4.0
160.84238	7.2
161.84219	0.8
162.83943	18.1
166.99893	6.7
167.99394	8.4
168.90530	0.7
179.10793	21.4
180.01738	0.6
180.11169	0.9
182.00633	1.0
182.02232	14.2
183.01721	10.0
197.02110	3.6
197.04576	2.3
197.11856	6.6
197.15498	1.1
197.80801	12.5
198.04082	1.7
213.97298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21572	0.7
59.01368	1.1
61.98816	0.6
71.05031	0.8
71.08988	1.1
116.63335	0.7
125.87357	1.0
127.93164	100.0
128.93280	0.6
129.92346	5.7
139.93117	1.6
154.95509	66.7
155.87134	1.7
155.95799	1.1
162.83916	10.2
163.83932	1.0
164.83638	10.2
178.81227	0.7
198.80725	0.9
198.94508	12.8
199.80556	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.83747	0.6
59.01390	0.6
65.33656	0.5
69.93549	3.1
73.24702	0.6
80.00386	0.5
93.76626	0.6
99.00896	1.8
118.66421	0.6
127.92284	1.2
127.93166	16.7
129.92387	1.4
135.80005	0.6
153.12828	1.0
154.95502	10.1
155.10794	1.2
155.14407	2.0
156.21088	0.6
164.83553	0.7
168.99706	1.4
181.12361	3.4
184.02065	1.7
184.78497	0.6
198.94514	2.0
199.13408	100.0
200.01167	0.7
200.13757	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	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
59.01381	0.5
61.98826	1.3
70.42419	1.7
75.72050	0.6
126.39575	0.5
127.93163	12.1
141.53864	0.5
146.03951	0.5
154.95518	8.3
155.10867	0.8
155.14449	1.2
155.87160	0.6
162.83934	4.9
163.83997	0.8
164.83604	4.5
168.99767	0.9
181.12373	2.2
184.02037	0.8
198.94476	1.2
199.13408	100.0
199.80472	1.8
200.01245	1.1
200.13760	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	199.1342
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
52.89463	0.4
54.51867	0.4
57.03445	0.7
59.01369	1.0
61.92387	0.5
70.39236	0.4
70.41593	1.5
71.01414	0.6
71.05029	0.9
72.01253	0.4
95.85855	0.5
97.06624	0.5
97.93147	0.5
99.00880	1.8
99.08130	1.2
111.00922	0.5
125.09730	1.9
127.11306	4.1
127.93164	16.8
129.92340	0.9
153.12849	1.4
154.95520	11.6
155.10779	2.1
155.14429	0.5
163.11270	1.0
167.99344	0.8
168.99747	0.7
181.12320	1.1
184.02121	1.5
197.11809	2.1
198.94508	1.5
199.13412	100.0
200.01167	1.0
200.13759	4.9
217.43158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1343
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
59.01384	1.4
69.88777	0.7
99.00897	2.2
99.08165	2.1
109.06649	0.9
123.15789	0.8
127.93177	30.6
129.92328	2.2
154.95526	20.9
155.10760	1.4
168.99756	1.9
169.12383	6.8
181.12375	20.2
182.12659	1.1
184.02078	2.7
197.11887	1.1
198.94550	3.2
199.13420	100.0
200.01157	2.2
200.13773	4.2
210.99937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13776	0.3
59.01386	100.0
60.01714	1.0
67.86248	0.4
71.01390	0.8
73.95176	0.3
82.37739	0.3
85.32938	0.3
88.04044	1.6
91.39391	0.2
101.00975	0.5
102.98963	0.3
103.92034	0.7
113.04565	0.3
114.05627	0.7
117.00470	1.1
129.10329	0.3
131.03856	0.3
156.07838	0.6
157.03571	4.7
157.13403	0.5
159.01523	2.4
165.09940	0.3
167.23412	0.3
171.07751	0.4
172.77905	0.3
173.01086	0.3
174.01048	0.3
175.02785	1.8
201.00804	0.7
201.02577	9.1
201.04497	0.5
201.12469	1.0
202.02657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41103	0.4
59.01383	100.0
60.01710	0.7
64.67694	0.4
70.75305	0.7
99.23375	0.3
113.04553	0.4
144.95189	0.4
157.03586	4.4
159.01480	1.9
178.27249	0.4
201.02565	8.7
202.02754	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01723	0.5
68.27447	0.3
68.28555	0.4
70.65596	0.6
88.04057	0.8
91.57336	0.4
94.04158	0.3
95.04421	0.3
113.04577	0.3
153.68347	0.4
157.03587	5.3
159.01503	1.9
175.02922	0.6
180.69939	0.3
201.00850	0.5
201.02576	9.6
201.12479	0.5
202.02863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01383	100.0
60.01731	0.9
60.84690	0.4
67.49491	0.4
71.01363	0.6
71.16203	0.6
72.99305	1.0
87.92548	0.6
103.92036	14.2
104.92779	0.4
106.94421	0.7
114.05640	1.1
114.98877	0.6
117.00479	0.4
117.44263	0.4
123.94740	0.5
126.98884	0.8
128.96521	1.6
131.56303	0.4
146.97539	4.7
146.98631	0.7
156.07870	0.7
157.03592	3.8
157.13469	0.8
158.75616	0.4
158.97920	1.3
159.01530	3.2
201.02541	10.4
201.12578	1.3
202.02751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.01635	0.5
51.37580	0.4
51.49894	0.4
57.03447	1.3
59.01390	14.5
62.48940	0.5
69.55588	2.3
73.25109	0.5
99.92612	2.0
110.02094	0.4
111.08173	8.8
127.11314	2.7
133.03969	2.0
134.04750	3.5
137.09749	19.9
138.10104	0.8
139.07668	1.3
139.11308	1.4
141.09236	3.1
141.93460	2.0
155.10806	9.0
159.01443	0.5
183.10376	0.8
201.11346	100.0
202.11649	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03452	7.1
59.01381	15.5
69.03428	0.9
69.36298	3.7
69.36706	1.3
71.05028	0.6
88.04073	0.5
99.92570	2.8
106.31325	0.6
110.60658	0.6
111.08162	5.4
137.09752	2.4
139.11301	100.0
140.11615	2.4
141.92172	0.8
141.93275	4.8
157.12390	1.7
159.01480	0.8
183.10269	40.6
184.10564	1.1
201.02599	0.9
201.11324	87.0
202.11720	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1247
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
51.21340	0.8
59.01387	12.7
59.84864	0.9
70.02975	3.2
70.49953	2.6
81.03472	1.2
82.06600	1.4
84.08196	1.4
86.99026	0.9
87.05121	1.5
87.05646	17.6
113.40462	0.9
114.09248	0.9
129.30299	0.8
130.08757	36.2
131.09071	1.2
140.10847	7.5
141.10387	1.1
145.42207	0.8
155.11913	1.5
157.03616	1.1
157.13475	54.3
186.31264	0.9
201.02541	1.3
201.12473	100.0
202.12752	2.7
202.14488	1.1
222.96355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1498
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01384	4.8
64.92579	0.2
69.21863	2.3
73.73505	0.3
95.04185	0.3
99.33683	0.3
99.92598	1.8
141.93283	2.4
155.14426	7.0
156.14725	0.3
183.13898	2.5
199.13417	0.9
201.14975	100.0
202.15337	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	202.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98817	6.1
69.08291	36.8
73.20766	2.9
76.76253	3.4
89.53522	3.0
90.97179	5.3
98.22526	6.4
99.92595	34.7
103.92010	4.2
108.52211	3.6
116.92854	13.3
118.96694	3.8
122.08198	3.9
124.22912	3.6
132.98210	6.4
141.86781	6.4
141.93651	33.6
157.95450	7.2
160.97681	13.6
164.83633	32.9
166.83308	9.9
174.99303	40.5
194.45499	3.6
201.80197	15.8
202.00986	4.3
202.05255	4.1
202.94072	3.6
202.98817	16.2
223.09251	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1451
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
57.02608	0.5
57.90291	0.3
59.01383	3.5
69.13618	2.2
69.14044	1.2
82.03798	0.7
83.05043	2.0
94.23039	0.4
99.92592	1.0
113.09741	0.9
119.05053	1.0
127.04053	0.5
130.08757	1.0
141.93654	0.7
147.04575	1.4
156.13974	3.1
174.03288	0.5
174.99275	0.6
175.03972	3.9
184.13396	2.7
200.12946	3.6
201.77771	0.4
202.14502	100.0
203.03532	2.5
203.05215	0.5
203.14827	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	203.0351
Annotation	Droserone
Peak:m/z	Relative Intensity
58.52981	0.6
59.01379	5.9
71.32153	1.0
75.77937	0.5
91.05467	0.6
101.03964	1.2
105.24739	0.6
117.50306	0.6
119.05036	19.1
129.03470	7.5
130.04283	4.6
131.05014	2.4
141.09256	1.9
145.02974	2.5
146.03752	5.2
147.04535	36.4
148.04872	1.1
157.02974	1.9
158.03708	3.4
159.04507	1.6
159.10329	0.9
160.04002	0.6
160.89317	0.7
161.06093	0.7
173.02440	1.8
174.01732	1.1
174.03224	16.6
174.99219	2.3
175.04007	100.0
176.04344	4.8
203.03513	68.1
203.14787	2.0
204.03842	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	203.0351
Annotation	Droserone
Peak:m/z	Relative Intensity
59.01379	4.6
70.54252	1.6
71.62719	0.6
72.00894	0.5
83.05038	0.7
97.06637	0.7
101.03978	0.9
105.08761	0.6
116.05045	2.1
119.05043	16.1
129.02591	0.9
129.03482	7.6
130.04289	5.0
131.05043	1.7
133.02960	0.7
133.94765	0.6
135.04582	0.8
145.02983	2.0
146.03752	6.0
147.04536	33.4
157.02953	1.8
158.03743	4.5
159.04466	1.0
160.95056	0.6
160.97731	0.7
172.73930	0.6
173.02472	1.6
174.03239	17.1
174.99261	2.3
175.04015	100.0
176.04379	3.4
185.04570	0.9
201.83247	0.5
202.02792	0.8
203.03519	67.3
204.03833	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	203.0828
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.97969	0.8
54.86993	0.8
58.18808	0.8
59.01368	1.6
72.00912	23.9
74.02480	33.8
85.76156	0.8
88.71056	0.9
90.59799	0.8
116.05074	100.0
117.05419	4.2
130.06598	3.5
135.98293	0.7
142.06631	28.3
147.04520	2.2
157.07704	1.5
159.09290	18.4
161.04898	1.3
174.03244	0.8
175.03978	4.8
186.05571	4.4
203.03488	3.6
203.08266	51.9
204.08698	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	204.0304
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
59.01366	0.3
70.53498	0.8
71.01362	0.4
97.77464	0.3
115.60696	0.3
118.03001	4.2
126.61938	0.3
131.03792	1.9
132.04579	8.4
159.01863	0.4
159.03278	30.4
160.04057	100.0
161.04393	3.9
175.02745	1.0
204.03014	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	204.0878
Annotation	N-Acetyl-L-rhamnosamine
Peak:m/z	Relative Intensity
57.03447	8.8
58.02983	39.9
58.49666	1.8
59.01127	3.1
59.01385	34.1
60.01722	10.7
61.01800	4.4
61.98827	8.0
69.03442	5.0
71.01387	19.5
71.05021	6.0
71.30474	2.1
72.00905	4.1
72.04583	3.1
72.99310	8.8
73.02953	8.3
73.44746	2.3
74.02479	23.6
83.01379	2.3
84.04534	6.0
85.02970	19.3
85.96607	2.0
87.00882	13.1
87.05639	2.8
88.04044	31.4
98.06126	7.6
99.00877	3.9
99.04531	5.8
100.04058	16.0
101.02448	4.7
102.05617	6.5
104.03600	2.3
108.04559	3.4
111.00887	28.2
112.98815	2.9
114.05601	7.7
114.09264	5.5
115.00359	5.5
115.04012	2.3
116.01782	5.6
116.07198	16.7
117.01954	4.3
117.07536	3.0
118.03001	2.1
124.07718	4.5
125.02480	14.3
128.07205	3.5
130.08661	2.9
130.10683	2.0
131.04626	13.7
132.04582	7.2
132.06674	35.2
138.05626	6.6
140.07199	21.4
142.08655	2.9
142.99902	2.2
143.03532	2.9
146.04619	3.1
148.04396	2.7
157.06215	3.7
158.08234	40.0
159.03264	22.6
160.04065	88.5
161.04497	3.8
161.05728	4.6
162.07755	8.1
168.06674	3.7
173.00827	2.2
174.09679	7.3
175.99838	2.3
178.20093	2.0
182.68671	1.7
185.98067	3.6
186.07755	23.3
203.99220	6.2
204.02994	9.8
204.08783	100.0
204.10611	8.4
205.03479	6.2
205.06671	2.3
205.08910	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	205.0355
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
53.00320	3.7
55.01870	11.9
58.00601	5.4
59.01386	87.5
61.64631	3.0
68.99830	15.1
70.92730	6.1
71.01389	89.1
72.99315	50.9
73.02957	51.2
75.00891	32.6
78.18806	3.1
78.33056	3.1
83.01402	12.3
87.00876	54.1
87.04557	3.4
89.02431	3.5
96.99325	11.0
99.00893	45.2
99.04515	23.4
101.02453	14.0
102.39903	3.2
103.00383	8.4
110.07381	3.2
111.00899	27.2
115.00387	100.0
117.01961	50.2
123.23693	3.3
124.98837	13.3
125.02453	16.1
127.00403	10.6
129.01961	10.6
133.01451	3.3
142.99863	23.1
143.03511	12.3
145.01468	21.3
154.99879	13.2
159.03146	4.5
161.04396	14.7
173.00906	4.8
175.02411	5.0
188.56738	3.4
192.73779	3.3
205.03525	15.4
223.97002	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	205.0355
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
51.78819	1.6
55.01885	8.2
56.29632	1.6
57.03438	3.0
58.00598	2.3
58.02987	1.7
59.01384	81.2
61.98833	2.1
67.01871	3.3
68.99823	13.2
71.01389	97.3
72.99311	55.3
73.02953	64.3
74.02474	16.0
75.00883	41.5
80.96526	2.1
81.45506	1.6
83.01383	12.2
85.02972	4.2
86.02489	1.9
87.00884	59.4
88.16611	1.7
88.98825	2.0
89.02464	7.3
96.99296	9.3
98.00101	2.9
99.00886	37.5
99.04539	28.4
99.05630	7.3
101.02441	11.1
103.00380	7.1
111.00893	13.6
112.98826	13.7
113.07209	6.6
115.00381	100.0
117.01954	63.6
117.02598	1.2
118.33042	1.7
124.98835	17.6
125.02480	12.9
127.00391	14.3
129.01941	14.6
142.99870	21.8
143.03519	14.8
145.01418	12.2
148.04370	5.8
154.99898	15.9
157.01439	1.8
157.06210	15.9
173.00897	2.4
175.02475	6.3
205.03596	14.7
205.06537	24.5
205.08618	2.4
205.09201	2.2
205.15984	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	205.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.1
65.00336	0.8
69.24377	1.2
69.24800	1.5
69.95702	0.3
71.01396	0.5
75.02412	0.3
87.00860	0.4
87.60654	0.3
91.01900	9.4
93.03460	2.6
103.01913	0.9
115.00373	0.5
117.03484	0.6
119.01395	27.0
119.08710	0.4
120.01743	0.9
121.02969	0.6
133.02954	2.1
133.06631	0.6
145.03020	0.4
147.00897	13.5
147.04472	0.7
148.01277	0.5
152.57007	0.3
161.02478	0.7
161.06093	2.1
162.03218	1.3
164.07172	2.5
165.01952	3.6
175.00374	57.0
176.00706	2.0
187.80519	0.3
189.01949	1.4
190.02725	100.0
191.03070	4.8
205.05063	19.7
205.15996	0.9
206.05423	0.7
206.08199	0.7
217.67181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03462	5.2
59.01382	1.3
62.55289	0.9
66.92191	0.9
69.03455	2.0
71.32748	1.6
71.33100	1.0
77.28944	0.8
79.05537	1.3
79.11208	0.9
81.03462	2.2
83.05025	6.0
85.02938	2.7
88.15514	0.8
93.03448	1.0
93.07119	1.9
102.38736	0.9
105.07146	1.4
106.04257	11.5
107.05032	3.6
109.06592	2.4
109.52570	0.9
115.00346	0.9
119.05037	1.1
121.06609	22.9
122.06921	1.0
123.04475	1.2
123.08150	2.5
131.05045	4.7
133.06595	2.2
133.10146	1.3
136.75185	1.0
137.09691	1.3
145.06615	2.8
147.08173	10.3
149.06090	6.5
149.09734	9.7
159.08173	2.5
160.08952	12.6
161.09747	12.4
163.11299	43.4
164.11693	1.5
171.08203	7.1
171.17062	1.0
173.09628	1.4
175.11302	91.4
176.08412	1.8
176.11588	5.0
177.12871	7.8
187.11311	36.6
188.11684	1.4
189.09268	3.0
190.10052	9.8
199.67224	0.9
203.10815	3.3
205.12358	100.0
206.12650	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.85031	0.8
58.02980	33.4
62.41725	0.8
69.13348	6.8
70.02988	12.1
72.00916	5.1
74.52656	0.7
79.10006	0.8
84.13586	0.8
91.05534	10.4
92.01407	0.8
124.01523	0.7
126.18589	0.8
135.04539	1.0
146.06068	1.0
147.04546	39.0
148.04871	1.2
157.32422	0.8
162.09265	2.1
162.87512	0.7
164.07179	100.0
165.07527	3.6
177.01999	0.7
203.63428	0.8
206.08238	29.0
207.08545	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.48463	0.3
54.04849	0.3
59.01410	0.4
70.64397	0.7
73.60732	0.3
76.54404	0.3
84.44534	0.3
91.02032	0.3
95.05051	0.8
96.96014	0.5
105.03461	5.1
119.01389	0.4
123.04527	0.8
133.02966	41.5
134.03302	1.7
135.04532	0.5
136.21382	0.4
149.02458	2.5
159.74156	0.3
161.02498	0.4
164.04796	3.0
177.01942	11.3
177.09177	0.5
191.39488	0.4
192.04294	100.0
192.50543	0.4
193.04622	4.8
207.06625	15.5
207.13907	5.2
208.06915	0.7
208.09822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Ethyl caffeate
Peak:m/z	Relative Intensity
50.36157	0.5
50.97208	0.5
55.28603	0.5
59.01383	0.6
61.98810	0.6
69.16973	5.1
71.01431	0.5
71.53477	0.6
79.95721	0.6
84.03799	0.6
93.03460	0.7
96.96011	1.9
98.22532	1.1
106.04295	0.9
107.05062	0.9
109.02975	0.5
113.61116	0.6
117.11474	0.6
121.02953	1.8
133.02972	22.6
134.03766	11.7
135.04541	56.5
136.04858	1.5
137.01453	1.0
137.02454	11.5
139.04012	4.5
150.03230	1.2
161.02458	29.6
162.02809	0.9
163.11301	0.8
177.01958	0.8
178.02734	2.3
179.03511	31.1
180.03882	0.8
190.13673	0.6
192.04317	0.9
200.31830	0.5
207.06638	100.0
208.07037	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	207.0699
Annotation	Epibatidine
Peak:m/z	Relative Intensity
57.03446	0.5
58.00586	0.4
58.11024	0.4
59.01381	0.7
63.96251	0.6
64.97028	4.5
68.53891	0.4
78.22028	0.4
79.95740	100.0
89.77734	0.4
107.05054	1.1
113.09724	3.0
121.03012	0.5
121.06589	1.1
129.09222	4.7
137.09737	14.7
138.10078	0.7
141.09100	0.4
143.10788	4.7
148.01659	0.5
163.07712	0.8
163.11314	1.1
177.01935	0.8
177.50108	0.4
179.03581	0.8
192.04254	0.6
207.06967	87.2
207.10240	4.3
208.07280	2.4
208.09633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.103
Annotation	(E)-2-(3-methoxy-3-methyl-1-butenyl)-1,4-benzenediol
Peak:m/z	Relative Intensity
59.01377	2.0
59.63746	1.4
71.05026	5.3
71.32318	1.6
71.32799	2.1
84.84779	1.6
91.05529	1.7
93.03506	2.2
95.05044	3.8
107.26171	1.8
108.02200	2.7
119.05057	7.9
123.04539	22.1
131.08742	2.4
135.04524	4.4
135.41641	1.5
136.05284	3.7
146.03662	1.9
147.08200	6.7
149.06126	3.2
151.07658	19.6
160.05315	51.5
161.05716	2.3
175.07664	100.0
176.08009	3.2
177.01958	3.4
191.07072	3.1
192.04343	4.3
192.07942	6.4
205.08658	3.7
207.02989	2.4
207.06697	3.4
207.10284	45.7
207.13766	1.7
211.25603	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	208.0378
Annotation	vanilpyruvate
Peak:m/z	Relative Intensity
53.00310	0.9
63.02390	1.3
65.00327	3.1
67.01884	3.6
69.63536	3.6
77.03965	1.5
79.01892	1.1
87.82500	0.6
90.14807	0.5
91.01895	1.5
92.85992	0.7
93.03466	71.5
93.94569	0.6
94.03797	1.8
95.05041	0.8
98.22505	0.9
105.03445	1.6
107.01393	1.6
109.02956	1.3
109.06634	0.7
112.16875	0.6
115.64016	0.5
119.01391	1.6
121.02966	60.3
122.03247	1.3
132.22375	0.6
133.02965	6.2
134.03737	2.2
135.04559	23.9
136.04872	2.4
137.02449	3.2
139.04012	0.7
141.19289	0.6
148.01689	4.2
149.02455	50.0
150.03264	6.7
152.01161	10.0
153.01927	1.1
163.04019	26.5
164.04518	1.5
165.01944	25.1
165.05545	0.7
167.03508	1.9
169.05119	4.4
193.01428	100.0
194.01974	5.7
207.03003	1.1
208.03784	6.6
209.04547	3.0
209.08264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91745	0.7
55.01886	0.8
57.03428	0.9
58.02436	0.7
58.33146	0.8
59.01376	1.8
67.01904	5.4
69.03458	1.9
70.48399	2.2
71.01379	2.2
74.99379	5.7
79.54233	0.7
80.96519	2.2
82.99892	2.6
83.01389	1.1
85.02959	2.3
87.00886	5.1
95.01399	1.7
96.03610	0.7
97.02966	66.2
98.03268	0.7
99.00900	3.2
106.52911	0.7
106.99904	1.9
117.00459	2.0
121.01451	1.0
121.02969	2.1
122.99406	3.5
124.01669	0.8
125.00979	12.3
125.02379	1.8
127.02541	7.7
129.01959	2.4
134.99402	5.3
137.00977	1.1
137.06047	0.8
139.02554	3.3
139.03731	1.1
141.00450	15.8
142.00528	0.9
142.99893	2.0
143.02046	1.5
153.00481	4.2
155.02037	23.6
156.02167	1.1
157.03577	24.7
158.03804	1.0
165.00476	1.3
165.01692	9.6
166.92500	1.1
168.04317	0.8
180.99962	30.6
182.00278	1.8
183.01514	100.0
184.01617	6.1
208.99445	61.3
209.04735	1.4
209.06673	2.1
209.99571	5.4
217.66547	0.8
227.00552	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	209.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25974	0.3
59.01384	0.9
63.86854	0.3
64.18217	0.3
65.96656	0.3
66.01098	0.3
69.23381	1.1
69.23804	1.4
74.96593	0.3
77.03967	0.4
91.01912	1.6
91.40778	0.3
95.01407	0.4
108.02220	0.3
114.70110	0.3
119.99289	0.3
120.02173	1.3
120.09045	0.3
121.02973	100.0
122.03301	2.6
133.70973	0.3
135.04590	0.4
136.01668	1.5
136.21918	0.3
181.05121	0.5
185.92303	0.3
208.93323	0.4
209.04549	9.2
209.08182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
50.80122	0.3
59.01366	0.6
69.56187	2.2
80.55367	0.3
91.01903	1.9
120.02179	2.5
121.02972	100.0
122.03288	1.9
136.01668	1.2
137.06131	0.3
168.22136	0.3
181.05067	0.6
195.09387	0.3
209.04565	10.0
209.06548	0.5
210.04909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
54.04905	0.5
54.35571	0.5
58.76857	0.5
59.01388	2.8
61.98823	1.3
69.04511	3.4
69.04946	1.7
78.32118	0.6
91.01914	1.7
98.21715	0.9
104.20234	0.6
104.26708	0.5
118.94177	0.6
120.02188	1.4
121.02972	100.0
122.03306	2.0
135.04579	0.9
136.01674	1.7
137.06088	0.5
150.03181	0.7
164.94095	0.9
165.05635	0.6
165.09227	0.8
183.45680	0.5
194.02182	0.8
209.04561	11.7
209.08260	1.8
210.04912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49072	0.4
59.01368	1.4
63.31535	0.3
69.49874	2.5
69.88382	0.3
79.20349	0.4
83.91737	0.3
91.01925	1.5
95.01429	0.4
95.05051	0.5
98.21754	0.6
107.22049	0.3
120.02193	1.8
121.02971	100.0
122.03260	2.1
123.04501	0.3
135.04584	0.4
136.01675	0.9
137.06117	0.4
149.09918	0.4
164.94153	0.5
181.05116	0.4
208.78654	0.6
209.04556	11.7
209.08231	1.1
210.04938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01868	5.2
57.03451	23.6
58.00596	2.0
58.46388	1.4
59.01383	33.7
62.97888	1.6
65.15671	1.4
65.89849	1.3
68.99830	3.9
70.66766	3.0
71.01395	21.2
72.99294	2.2
73.02935	3.5
78.95916	3.7
83.01402	10.4
84.02173	3.8
85.02960	38.9
86.00112	1.9
87.00885	100.0
87.04520	1.6
89.02454	17.2
91.42310	1.4
96.03324	1.6
99.00892	13.9
101.02471	2.1
101.98147	1.5
110.89923	1.9
110.98565	1.7
111.00967	1.7
115.03979	7.6
125.96144	1.6
129.00969	2.4
129.01952	50.8
135.03008	2.3
159.03003	9.6
173.10440	1.4
209.06694	60.8
210.07130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0822
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
69.15661	0.4
69.16056	2.3
90.18742	0.3
95.05026	2.3
121.02979	4.1
122.03758	12.7
123.08187	1.6
136.05322	23.5
137.02440	0.5
137.05653	0.4
137.09732	0.8
138.03264	1.6
150.03241	3.8
150.06876	1.9
162.03293	0.4
165.09227	100.0
166.09579	4.0
173.01770	0.2
191.07121	1.4
209.08228	10.0
210.46680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0249
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
53.64241	0.9
59.01371	2.3
69.62166	2.4
69.62576	1.8
77.03981	1.6
79.05538	16.5
81.03461	7.9
93.03449	1.1
95.05000	1.0
105.03466	27.8
106.03827	0.9
109.85253	0.8
121.02945	6.1
123.04533	88.3
124.04872	2.5
126.99566	0.9
147.00900	3.6
148.01599	1.2
149.02454	49.4
149.09743	1.3
150.02838	2.1
150.54022	1.0
167.02153	1.4
167.03502	16.4
167.10762	1.5
168.03876	0.8
175.00366	4.3
176.37178	0.9
193.01425	67.5
194.01797	2.0
210.06837	1.8
211.02487	100.0
211.07820	5.4
211.09587	2.0
212.02786	2.8
224.42271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01372	0.9
61.98842	2.7
69.03458	1.0
70.69872	1.4
73.38378	0.4
80.59786	0.5
85.00447	1.9
92.52940	0.5
107.11404	0.5
112.13133	0.5
135.42674	0.4
139.68535	0.5
141.86833	2.6
142.87569	0.7
152.91754	0.5
159.87866	1.5
165.12881	0.7
167.10866	1.1
167.14415	1.9
176.66350	0.6
183.13918	17.3
184.14279	0.8
193.12355	4.5
211.13402	100.0
212.13701	4.5
219.58604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01376	0.6
69.03456	1.3
69.46683	2.4
79.99070	0.4
84.51418	0.4
86.69258	0.4
89.44068	0.3
98.21796	0.4
124.69858	0.4
155.10803	0.7
165.00101	0.4
165.12857	0.7
167.10756	1.3
167.14407	2.1
181.12354	0.5
183.13914	16.1
184.14388	0.7
193.12352	3.4
211.13408	100.0
212.13766	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.14384	0.5
59.01382	0.7
61.98839	3.3
70.82439	1.1
85.00449	1.9
95.01405	0.6
97.06591	5.8
101.06081	1.0
109.06606	0.8
111.08167	1.5
121.02998	0.5
136.52144	0.5
139.04019	1.0
141.86826	3.1
142.87686	0.6
152.91743	1.2
153.05536	0.6
154.06413	2.8
155.07193	0.5
159.87886	1.9
167.14421	3.2
183.13892	1.8
186.05310	2.4
194.40294	0.5
195.10275	2.7
211.13416	100.0
212.13812	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	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
55.01865	3.9
57.03463	2.6
59.01368	7.5
69.01366	26.0
69.03465	13.2
71.01390	5.1
71.05021	30.0
75.42459	2.2
80.02659	2.2
95.05019	3.3
97.06573	12.1
98.03745	26.8
99.04507	6.1
107.04997	2.5
113.09745	22.8
115.07658	26.3
125.09727	14.0
125.10504	2.4
127.11301	26.1
141.12888	2.4
151.11293	100.0
152.11635	2.3
154.09975	3.2
162.04680	2.1
169.12332	25.3
171.98680	2.2
195.10229	2.4
195.29044	2.0
197.99159	10.6
213.01604	3.2
213.09450	3.6
213.11353	52.7
213.14847	14.3
213.18608	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.68344	0.2
52.11934	0.3
57.75041	0.3
59.01361	0.6
68.55846	0.3
80.50822	0.3
84.12342	0.3
89.67032	0.3
98.21700	0.6
125.59714	0.3
130.48244	0.3
167.14435	0.3
177.12874	0.4
183.13907	31.9
184.14250	1.1
195.13910	26.1
196.14252	1.1
197.99162	0.5
211.13461	0.6
213.14972	100.0
214.15303	4.6
228.72189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.86716	0.7
56.57430	0.9
58.04272	0.7
59.01367	1.8
69.03442	1.5
70.84073	2.2
71.05029	19.1
74.20673	0.9
97.02956	2.6
97.06614	2.0
111.09702	0.8
113.09774	1.1
115.04029	2.8
115.07665	2.6
118.92456	0.9
126.06850	0.9
127.11307	9.9
143.86473	1.7
151.11316	1.1
169.12354	15.4
169.15967	1.4
195.13863	2.1
197.99220	4.8
213.01584	1.8
213.11427	3.1
213.14977	100.0
214.15318	3.7
226.46541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
58.05244	0.6
59.01358	0.9
69.03902	0.6
69.04218	6.6
72.92097	0.5
159.36482	0.5
169.12329	1.3
177.12712	0.8
183.13905	29.5
184.14256	0.9
192.80692	0.5
195.13902	26.4
196.14244	0.9
197.99188	3.7
211.13222	0.7
213.01579	0.9
213.14964	100.0
214.15352	3.6
218.62135	0.5
229.00671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22050	0.7
56.69173	0.7
59.01380	1.9
60.01811	0.7
61.01192	0.6
62.56572	0.6
63.52354	0.7
65.96558	0.7
69.72155	3.2
69.72527	1.5
71.01379	2.4
72.99319	77.2
101.00966	2.7
117.00481	13.5
120.61690	0.7
127.02535	1.2
133.01389	0.9
139.26225	0.6
145.71335	0.7
171.01523	1.0
172.99445	100.0
173.99559	4.6
191.49100	0.8
210.54485	0.7
215.00519	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	215.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74494	4.2
58.00582	3.7
59.01385	59.0
61.27804	3.6
65.72378	3.8
71.01398	53.7
71.30682	6.0
72.99322	96.4
74.12498	3.2
77.24733	3.6
78.95912	32.8
79.30109	4.1
85.02908	3.7
87.05663	5.3
88.04065	9.3
88.88969	3.9
89.02456	71.2
90.75100	3.5
101.02454	13.8
113.02489	11.5
117.00451	19.6
118.05112	3.8
119.03497	12.3
172.99454	100.0
173.00914	4.7
173.99557	8.1
179.05635	7.9
215.00856	23.1
215.03258	12.8
216.13544	7.4
226.27635	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	215.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74494	4.2
58.00582	3.7
59.01385	59.0
61.27804	3.6
65.72378	3.8
71.01398	53.7
71.30682	6.0
72.99322	96.4
74.12498	3.2
77.24733	3.6
78.95912	32.8
79.30109	4.1
85.02908	3.7
87.05663	5.3
88.04065	9.3
88.88969	3.9
89.02456	71.2
90.75100	3.5
101.02454	13.8
113.02489	11.5
117.00451	19.6
118.05112	3.8
119.03497	12.3
172.99454	100.0
173.00914	4.7
173.99557	8.1
179.05635	7.9
215.00856	23.1
215.03258	12.8
216.13544	7.4
226.27635	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	215.1291
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.70208	0.6
52.72967	0.5
53.46425	0.5
56.89466	0.7
57.03441	1.4
59.01384	1.1
62.54504	0.6
70.66171	1.7
73.83955	0.5
87.00860	0.7
107.84487	0.7
121.14532	0.6
125.09729	1.4
128.26974	0.6
144.00914	4.2
151.11295	1.1
153.12872	51.6
154.13205	2.1
171.13989	0.7
171.97095	1.1
197.11856	48.5
198.12248	1.8
215.01012	27.9
215.12901	100.0
216.01297	0.9
216.13264	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
57.88239	0.7
59.01382	7.6
60.01721	3.1
65.61150	0.6
70.09759	1.5
71.01387	11.9
71.05019	18.6
72.00912	1.1
88.04045	100.0
89.04366	0.7
98.21771	0.7
99.04507	5.2
116.03555	1.1
116.07187	2.4
117.07451	0.8
129.05623	1.3
142.95129	0.6
146.08240	50.2
147.08569	0.7
174.99393	0.8
175.99571	1.8
176.99820	0.7
218.00644	2.2
218.10336	19.7
218.12451	1.0
219.17593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
57.03450	76.3
58.03789	1.2
59.01383	24.0
61.98825	3.8
69.68043	5.8
71.05017	2.4
79.16430	0.9
81.03456	1.4
83.01392	1.2
83.04527	2.2
83.05029	43.9
93.03471	1.7
99.04503	2.2
106.04237	1.7
107.05037	3.0
107.08688	8.6
109.06598	2.3
111.08157	1.7
119.08602	2.1
120.05792	2.9
121.06606	1.2
125.09697	1.6
131.08696	1.6
132.05820	2.4
133.06592	3.7
133.10222	3.9
135.08160	1.7
135.11816	7.3
147.08157	2.8
149.08505	2.2
149.09726	34.5
159.11812	9.8
161.06110	4.8
161.09724	22.1
172.08885	1.2
175.07663	2.5
175.11256	5.8
177.12852	46.0
178.13188	1.3
189.09146	1.3
190.10014	9.7
201.12885	10.5
203.10713	2.0
204.11578	1.3
216.09468	0.9
219.13908	100.0
219.17490	3.7
220.14230	5.3
230.41669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0981
Annotation	Uncinine
Peak:m/z	Relative Intensity
55.01888	1.8
59.01385	8.2
61.98838	19.0
65.99857	11.5
66.03488	2.7
67.01900	15.9
68.66190	1.6
71.32915	2.3
80.05075	1.9
85.02966	6.8
88.65562	1.6
90.44998	1.6
106.06632	15.4
108.04576	10.2
108.08215	26.9
111.00898	100.0
113.02438	3.2
118.03004	6.5
120.04585	6.7
123.08175	9.4
132.04558	2.9
147.06927	8.2
155.35806	1.6
156.91882	1.8
170.56201	1.9
176.10838	84.2
177.11206	5.0
180.42371	1.8
209.95781	2.1
220.02661	2.8
220.09785	21.9
220.17931	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	221.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.1
61.98842	1.6
70.05632	2.0
70.06033	2.3
72.00916	2.3
73.04076	100.0
76.86082	1.0
91.05537	1.6
107.87826	1.1
136.97487	1.8
147.04543	17.5
148.04840	1.1
162.83904	3.2
164.07166	20.2
177.08923	0.9
177.10329	3.6
178.98524	4.1
184.87654	1.7
202.88756	1.5
220.84566	1.8
220.99648	4.8
221.09337	37.0
221.15337	1.7
221.84239	10.1
222.07658	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	221.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
63.78222	0.6
69.53285	4.4
72.00920	1.4
73.04079	100.0
73.23033	0.6
74.02468	2.0
74.04417	0.9
74.99925	0.6
77.50769	0.7
84.11594	0.6
85.04089	2.3
91.05550	3.8
94.50605	0.6
103.05546	0.8
104.93898	0.7
117.49363	0.6
133.03004	1.1
134.03748	0.6
135.04565	1.1
139.65242	0.8
147.04538	20.9
149.06123	1.3
154.73825	0.8
161.02498	2.5
164.07185	21.7
172.04843	0.7
177.05574	2.7
177.10344	3.1
221.04671	1.2
221.09335	39.3
222.09666	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	221.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.6
67.69356	1.2
69.99998	2.3
70.00346	5.5
73.04077	49.7
74.02483	56.4
83.02514	4.1
85.04082	65.0
91.05537	12.4
111.02023	1.5
129.88179	1.3
133.02965	2.0
135.04532	3.0
147.04552	8.0
149.06093	2.0
160.07671	10.0
161.02466	3.8
164.07222	10.3
177.05624	4.8
204.06567	1.7
221.09337	100.0
222.09674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
57.79277	0.4
59.01386	4.2
70.35307	0.4
71.01384	1.2
71.05008	0.5
73.02957	1.4
81.03481	0.8
81.07111	0.8
83.05035	0.7
93.03484	0.4
94.62317	0.5
96.53410	0.4
97.06604	0.6
99.04525	0.6
107.05032	1.4
119.04993	1.1
121.06582	3.4
121.10254	1.9
133.02986	0.8
134.03766	0.5
135.04448	0.6
135.11823	0.9
137.09729	10.3
143.08673	1.7
145.10222	0.9
147.08170	5.2
148.05333	0.7
149.06064	2.4
149.09718	0.5
157.06577	2.4
159.08142	1.5
160.08907	0.8
161.02461	1.0
161.09732	3.2
162.57571	0.5
163.11298	61.5
164.11603	2.1
165.09232	1.9
169.06702	0.5
173.06134	0.4
173.09741	1.5
175.11307	1.4
177.05556	2.9
177.09178	0.8
178.98573	0.6
179.10844	0.4
185.09700	1.7
187.07648	39.7
188.08069	2.4
189.09216	1.1
190.05116	0.6
201.09236	0.8
203.10782	100.0
204.11122	4.3
221.04597	0.8
221.08244	1.5
221.11832	46.5
222.07645	0.8
222.12117	1.6
222.14215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	Kobusone
Peak:m/z	Relative Intensity
51.90609	0.1
56.97488	0.1
59.01372	0.5
60.32386	0.1
61.98817	0.2
67.37943	0.1
69.30489	0.6
69.30895	0.2
71.12918	0.1
89.72509	0.1
91.36564	0.1
101.06081	0.2
127.07677	1.2
133.22235	0.1
139.66939	0.1
148.05301	0.4
149.05925	0.4
151.07674	0.5
162.83833	0.5
162.91148	0.2
164.08432	2.3
165.09113	0.2
173.86897	0.1
184.87639	0.2
202.88632	0.2
205.12358	1.7
206.12679	1.1
207.13927	1.9
220.14709	4.4
220.84586	0.3
221.15471	100.0
221.84212	1.4
222.15820	4.5
235.13417	1.6
236.13820	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	222.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
69.33202	1.9
69.59999	11.9
72.00892	10.7
80.59543	1.9
80.84074	2.1
91.24487	1.9
147.04529	36.4
164.07195	100.0
165.07593	2.4
190.05173	2.1
193.01395	2.2
201.44540	2.4
222.02989	10.0
222.07710	14.5
223.02835	2.7
237.33408	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	222.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16269	0.4
57.14433	0.4
57.66888	0.3
61.00373	0.3
69.10130	2.1
69.10554	1.2
69.89870	0.3
72.00913	12.5
74.02479	29.0
91.05546	1.8
104.03547	100.0
105.03879	1.2
106.19343	0.4
107.05051	0.5
117.03478	1.9
135.04604	0.7
137.00645	0.5
142.02818	0.3
146.06128	1.0
160.07703	1.0
174.05679	0.7
189.37544	0.3
192.06630	1.7
222.07748	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	222.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86236	0.3
63.80114	0.3
65.00031	0.4
66.41480	0.3
70.12685	1.3
72.00917	11.7
74.02480	28.4
91.05548	1.7
104.03546	100.0
105.03899	0.9
116.31761	0.3
117.03485	2.1
122.07358	0.3
146.06090	0.5
160.07643	1.0
174.79906	0.3
192.06635	2.0
222.07718	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	223.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52187	0.6
59.01279	3.8
59.01599	1.0
68.42822	0.5
69.47082	3.9
70.21848	0.6
75.93159	0.6
93.03401	0.8
109.06606	0.8
110.99139	4.4
111.99805	1.4
120.02111	1.5
121.02866	1.3
123.99805	0.8
125.10518	0.6
135.04488	1.4
135.11769	1.4
135.99907	4.3
136.34727	0.6
149.01018	0.8
149.02356	2.8
151.11095	0.7
151.99411	5.0
152.00558	0.6
152.01125	1.1
161.09666	0.9
163.99350	0.9
164.04750	1.4
175.00319	1.0
178.98048	2.2
179.07112	1.0
179.10782	5.0
179.98900	13.1
193.01395	2.2
194.00934	0.7
207.98376	100.0
208.03665	3.2
208.98740	3.4
223.00755	37.3
223.02808	3.7
223.06279	1.7
223.09810	2.8
223.13362	1.0
224.01131	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	223.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01374	1.5
60.37209	0.6
65.00333	0.5
69.49615	3.4
71.05056	0.4
74.24489	0.5
74.99006	0.5
80.96510	0.8
89.04009	1.0
91.05537	0.6
93.03464	5.8
96.96028	2.8
97.06617	0.7
106.04299	1.0
107.05035	100.0
108.05377	2.3
117.03484	0.7
119.05042	1.0
120.05798	0.5
121.02966	32.3
123.08240	0.5
128.20197	0.5
132.02182	1.6
134.03825	0.5
135.04533	52.3
136.01668	0.6
136.04904	1.0
137.02455	1.2
142.86858	0.5
147.04527	4.2
149.02446	85.6
150.02824	1.4
151.04027	1.7
151.11308	1.8
152.01132	5.4
161.09692	2.4
163.04016	4.9
164.04796	49.6
165.01941	3.4
165.05087	1.3
167.03506	1.0
169.05090	2.6
179.03505	62.4
179.10742	10.3
180.03847	1.7
193.01418	18.5
194.01689	0.7
208.03769	25.4
211.98895	0.5
223.02707	8.6
223.06125	24.7
223.09563	5.3
223.13426	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	223.0286
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
56.67199	0.1
59.96713	0.8
61.98816	0.5
70.40797	0.3
70.41159	0.3
73.01154	0.2
74.99078	17.6
75.96230	0.8
75.99041	0.3
93.00144	7.2
121.02988	0.2
149.00964	13.3
150.00974	0.4
150.98859	0.7
163.02536	0.1
197.86203	0.2
206.99707	5.6
207.99965	0.4
208.03900	0.2
208.97510	0.2
223.02844	100.0
223.13345	0.7
224.02879	6.0
225.00818	0.2
241.03909	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	223.0615
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01386	7.5
61.98831	19.6
63.81703	7.2
66.25174	6.2
67.33208	5.7
71.31628	10.8
73.97137	7.1
85.45148	6.0
93.03474	12.0
121.02985	25.0
121.13290	6.2
135.04549	8.3
149.02460	50.1
152.01132	16.8
159.19858	6.4
163.04037	13.5
164.04803	46.4
165.01942	10.0
169.04991	8.3
176.83783	6.9
179.07175	14.5
181.82159	6.9
193.01460	76.9
208.03780	100.0
223.02893	44.4
223.06081	51.1
223.13368	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	223.0978
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
54.82369	2.2
59.01384	10.4
64.55038	1.9
69.03437	3.2
69.05051	21.3
69.05467	4.5
84.02156	4.8
86.49902	2.3
93.03453	3.2
107.05025	2.3
109.06604	5.3
121.02957	11.4
122.43002	2.4
135.04533	6.5
135.08157	2.6
135.11809	60.5
142.93678	2.5
148.22736	2.0
149.02448	10.1
151.04036	2.6
151.07448	2.1
161.09685	8.9
163.04016	2.3
164.04779	3.6
165.01991	3.5
177.09265	2.6
178.99794	2.5
179.10782	100.0
180.11084	5.7
193.01448	12.1
205.12379	2.6
208.03775	18.2
223.02736	13.8
223.06129	8.1
223.09714	19.1
223.13373	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	223.0978
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01368	7.1
61.98830	6.3
62.78366	4.5
121.02947	6.4
135.11801	100.0
136.12167	4.4
149.00990	5.2
157.30730	4.4
179.10774	96.8
193.01439	7.3
205.08636	6.3
205.12326	9.1
208.03760	10.7
223.02917	21.0
223.09846	20.6
223.13365	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0979
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01387	84.5
61.98818	3.3
70.84814	8.2
74.99077	4.9
109.06566	5.2
121.02982	5.1
135.04575	4.2
135.08174	3.9
135.11823	100.0
136.12123	3.9
147.12088	3.0
149.00952	3.5
149.02455	6.4
161.09734	3.6
163.04054	3.4
164.04758	3.9
179.07132	3.5
179.10785	41.8
184.37288	2.4
193.01427	7.8
208.03781	8.1
214.22527	2.7
223.02853	22.5
223.06137	8.6
223.09695	6.2
223.13437	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.10964	4.2
59.01366	9.4
61.98839	45.5
63.78070	4.1
71.31441	5.9
71.31802	5.0
74.99085	12.1
93.00157	10.9
101.76732	4.0
112.60471	4.3
141.86809	16.6
149.01012	9.0
151.03979	12.4
159.87851	7.4
160.84178	5.1
164.83531	8.2
165.01929	4.8
166.06386	52.5
176.83705	59.8
186.87372	6.4
195.13924	38.5
206.99727	4.9
208.03734	7.8
222.84251	10.3
222.95264	7.3
223.02864	100.0
223.13420	84.7
223.83974	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.39671	0.6
59.01381	100.0
60.01703	1.2
69.63923	3.8
71.05051	0.9
74.02480	2.1
74.99084	1.1
87.00852	1.0
93.03449	0.9
94.29192	0.7
107.05095	1.0
109.04115	1.6
110.09741	4.0
111.05647	3.5
121.02988	1.4
122.09792	1.2
123.04536	0.7
125.02479	1.5
135.04553	1.1
135.11787	1.0
138.04341	0.9
147.39391	0.6
148.06187	0.6
149.02490	2.2
152.01183	0.7
161.09766	1.1
161.13390	1.1
163.11346	0.7
164.04825	1.1
179.07147	1.4
179.10727	1.7
179.12013	6.5
193.01457	3.0
208.03804	3.7
223.02791	4.4
223.06230	1.9
223.11188	1.0
223.13380	15.6
224.13921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59544	1.4
57.67034	1.7
58.90994	1.4
59.01370	3.0
65.00324	2.7
67.01878	6.0
68.58316	1.2
68.93043	1.5
69.03444	4.5
69.73703	7.7
71.01377	3.6
73.25228	1.3
82.02987	4.5
87.66191	1.3
90.97143	57.0
97.02953	6.8
98.22430	2.4
105.95834	7.3
116.98697	3.0
118.96655	5.3
120.94566	2.2
122.97641	12.5
125.02408	2.2
132.98219	1.7
140.98714	39.3
143.00264	21.7
144.98174	1.7
150.97156	5.0
155.97414	3.4
156.98192	8.9
158.99739	2.0
166.96556	1.4
168.98184	11.4
170.99782	17.2
173.01315	16.3
180.99139	5.2
181.09842	3.5
184.97704	4.9
186.99248	6.4
196.97705	31.0
198.99257	86.9
199.04518	3.0
199.99554	2.0
200.97209	29.3
201.29530	1.6
224.97182	100.0
225.08951	2.0
225.97517	2.5
242.98210	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	224.9808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20782	0.8
57.76446	0.8
59.01395	1.4
59.98536	1.3
61.63779	1.0
62.31209	0.9
69.03452	3.8
69.33761	4.9
69.34172	2.3
71.73873	0.9
81.03443	1.8
88.03995	0.9
97.02946	1.8
99.00891	1.0
99.04543	4.0
102.32922	1.0
102.94410	14.4
105.66261	0.9
125.02462	2.7
146.93401	1.5
155.01192	3.3
162.98045	15.1
180.99104	100.0
181.17897	0.9
181.99438	2.8
224.98083	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	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01389	5.6
59.51954	1.2
65.03918	1.6
68.02173	1.1
69.03471	2.0
71.01387	1.9
71.05022	3.8
71.28373	1.1
72.19714	1.1
73.02931	3.4
83.01380	5.2
83.05012	3.0
88.04041	3.3
93.03441	2.0
95.01382	3.1
95.05037	13.0
97.02940	3.6
97.06593	13.1
98.22508	4.5
99.04517	3.3
106.04259	1.8
107.05036	1.7
109.02964	6.1
109.06603	8.3
110.03724	6.0
110.51057	1.1
111.04498	2.2
111.08094	1.3
113.06082	2.2
123.08187	1.7
125.06057	2.4
127.00351	1.7
135.08194	3.2
137.09711	1.5
140.82028	1.3
151.07664	2.1
151.11252	1.5
153.09265	1.1
153.12793	1.9
161.09679	2.0
163.11304	19.2
169.12305	2.3
179.10802	2.8
181.08687	2.5
181.12331	7.1
189.09209	6.4
197.11826	3.0
206.99315	1.4
207.10286	36.4
208.10658	1.6
225.07706	3.3
225.11322	100.0
226.11641	4.6
229.37936	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.7
63.34724	1.4
66.43425	1.4
67.82798	1.3
76.33611	1.3
83.05006	1.6
88.04056	1.4
93.03475	2.0
98.21813	4.4
165.09183	2.7
181.12350	100.0
182.12666	3.4
225.00281	1.9
225.11314	17.0
225.14969	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	225.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71341	5.1
59.01374	12.4
60.71580	6.8
61.98830	39.0
63.83098	6.0
70.32658	13.3
70.33013	14.2
97.03003	11.6
136.65134	6.5
137.69189	6.4
141.86836	12.0
143.86526	14.0
163.11252	11.2
164.82976	6.3
178.83432	38.5
181.12390	31.6
207.10277	76.7
216.28844	6.7
225.11290	100.0
225.92638	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	225.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.7
59.01357	4.0
61.98840	9.2
67.88621	1.9
70.51880	3.5
70.52243	3.4
72.00906	2.4
74.02470	5.1
96.03291	2.0
110.09736	2.9
111.05662	17.6
112.11338	3.0
124.11327	15.6
143.86548	2.2
145.17963	1.7
153.13921	4.8
156.10240	3.1
162.83902	3.3
178.83411	12.1
179.11882	3.0
181.13474	100.0
196.64838	1.6
202.99516	1.8
225.12535	15.2
225.92639	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	225.1499
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01380	7.0
61.98838	17.1
71.32688	2.6
93.03444	2.5
95.22290	1.7
108.68727	1.9
124.60442	2.2
126.90510	3.1
137.02495	2.1
141.86853	2.3
143.86499	2.7
153.92267	2.0
162.83980	2.2
178.83426	12.6
181.12366	1.8
195.13943	9.6
197.15448	5.2
207.13866	21.6
225.11461	4.3
225.14972	100.0
226.15349	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	225.1611
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.74333	0.4
58.02970	0.6
59.01376	0.8
65.64854	0.4
66.91970	0.4
70.02979	0.4
74.94370	0.5
78.69081	0.4
80.05070	0.7
81.03466	16.4
83.05037	89.3
84.05376	1.4
89.22609	0.4
93.03478	1.1
96.96013	1.6
98.22603	0.8
102.31753	0.4
108.04563	0.9
111.31057	0.4
125.07233	4.1
126.05682	0.4
136.80368	0.4
137.02469	0.7
139.08830	0.5
143.08299	3.0
145.08720	0.7
166.12431	0.4
168.99992	0.4
182.58589	0.4
207.15057	12.6
210.05313	0.6
225.05806	0.7
225.16109	100.0
226.16507	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.8
59.90378	2.6
66.03225	2.6
66.03499	27.6
71.01384	5.7
71.30769	4.1
72.86234	2.9
72.99280	2.8
73.14650	2.8
83.05016	6.8
94.02987	74.5
97.02951	9.1
98.00111	5.0
99.00901	4.5
101.00956	2.8
108.04549	2.5
109.01699	5.4
111.00863	6.9
112.04051	3.6
112.07692	4.5
112.98842	6.0
113.03573	15.2
114.05589	5.3
116.07239	2.8
117.00452	22.2
123.04521	4.4
127.02501	3.9
130.08745	18.7
131.02002	18.6
136.04057	13.8
137.03641	3.1
140.07199	6.8
141.00438	6.6
142.46959	2.5
145.09869	3.0
151.04001	8.1
156.99921	5.5
157.03609	6.0
167.03529	6.1
167.04776	2.5
168.01534	5.6
173.03053	6.4
183.01460	3.8
183.11391	11.6
184.06151	100.0
210.02525	4.0
210.07658	4.8
210.41498	2.8
226.06082	3.2
226.81140	3.7
226.98561	2.8
227.00551	3.7
227.05470	10.3
227.06870	18.2
227.10304	7.6
227.14198	13.1
227.16002	4.6
227.20120	12.9
228.03584	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	227.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54523	0.6
57.03444	0.8
63.72089	0.6
63.98600	0.5
71.01382	0.7
85.63605	0.5
85.66393	0.5
98.11206	0.6
98.22521	1.3
111.08142	1.0
122.07554	0.7
123.34497	0.8
129.55684	0.6
165.12863	19.5
166.13158	1.1
183.13916	100.0
184.14311	2.8
209.11862	1.9
227.12921	20.1
227.16348	1.3
227.20268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.31021	0.5
51.54037	0.5
58.00594	2.6
59.01374	0.8
65.50657	0.6
68.37569	0.5
69.17277	4.4
69.17687	0.9
71.05029	1.0
78.44247	0.5
80.02682	1.4
81.03477	1.7
83.01425	0.6
83.05039	7.4
84.02189	3.3
125.09747	1.1
135.08160	0.9
137.09660	0.7
148.26695	0.6
153.12888	1.1
155.14417	1.4
163.11311	6.6
165.12843	5.9
171.13922	1.6
181.12318	2.7
183.14006	1.5
191.10765	2.1
199.13403	25.8
200.13779	0.8
209.11838	100.0
210.12158	3.8
227.12898	44.9
228.13266	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	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.42297	0.3
52.75616	0.4
69.60594	2.2
72.72118	0.4
80.85462	0.3
111.08173	1.0
111.83595	0.4
113.42679	0.4
144.63045	0.4
165.12872	18.8
166.13177	0.6
183.13919	100.0
184.14229	3.6
209.11816	1.8
227.10672	0.9
227.12912	14.4
227.20193	0.5
228.13297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
64.73671	10.6
67.56998	11.8
69.23463	61.9
69.23882	33.9
78.25060	11.2
78.48267	14.0
88.04032	22.0
154.34882	12.9
180.83160	17.7
183.13884	100.0
209.11711	17.5
209.34389	12.3
227.12820	29.5
227.16719	11.9
227.20161	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36269	0.4
52.58104	0.5
59.01371	1.0
59.39521	0.4
59.80748	0.4
61.58205	0.4
69.61102	2.5
71.01410	0.6
72.99315	0.9
73.02956	1.1
78.95926	0.8
87.00883	100.0
88.01254	0.7
89.81665	0.5
99.00913	0.4
102.94409	9.8
111.00883	2.5
115.08772	0.5
117.01953	1.1
124.96435	0.6
139.18768	0.4
142.96428	0.7
142.97545	14.4
166.97531	9.7
168.95447	3.8
168.99910	1.0
186.96526	3.3
210.96477	0.5
228.97554	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.19561	0.3
57.03450	1.2
69.07207	1.2
69.07642	2.3
74.74983	0.3
80.96303	0.3
83.05030	0.8
85.02945	0.8
97.06594	0.4
106.89073	0.3
109.70466	0.3
125.09708	2.8
125.67799	0.3
127.11305	4.0
130.06561	0.6
141.80574	0.4
143.10809	0.3
155.14409	1.3
165.12860	0.8
167.14426	2.2
171.10294	4.8
183.13878	1.2
185.07143	0.5
193.12405	0.8
209.11809	3.1
210.12436	0.4
211.13420	10.4
229.14453	100.0
230.14813	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03442	1.7
59.01369	0.4
62.19340	0.4
69.09589	3.4
71.05032	0.7
71.07558	0.3
83.05046	0.8
84.02192	0.7
85.02963	0.8
85.08257	0.4
89.83855	0.4
97.06589	0.7
98.22604	0.5
101.71082	0.4
120.77705	0.4
125.09747	3.1
127.11318	4.6
141.31799	0.4
149.06073	1.7
155.14447	2.4
165.12872	1.0
167.14465	1.2
171.10307	4.8
183.13887	0.6
185.11871	0.4
209.11887	3.1
211.13431	6.3
227.12871	0.4
229.14465	100.0
230.14801	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03444	0.5
59.01376	1.1
68.56317	0.5
70.66047	1.5
72.10949	0.4
80.31134	0.5
114.83292	0.5
120.91126	0.5
139.11288	0.6
141.65479	0.5
153.12874	2.7
165.12842	1.1
167.14430	36.8
168.14818	1.4
185.15442	1.4
189.41896	0.5
197.11861	2.3
211.13422	38.4
212.13763	1.5
215.12914	2.9
229.14462	100.0
230.14810	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03445	2.0
59.01366	2.1
69.24208	6.7
71.04993	1.2
75.96057	0.8
85.02967	0.9
97.06595	1.3
98.22630	0.7
108.52265	0.9
125.09749	4.7
127.11320	5.2
155.14415	1.8
167.14503	1.4
167.87093	1.1
170.88356	1.4
183.13872	0.9
185.15532	1.0
209.11798	2.3
211.13440	4.1
229.14442	100.0
230.14830	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.00101	0.3
57.03444	1.4
59.01369	0.3
69.31589	0.4
69.96524	1.6
70.54200	0.3
71.05009	1.0
71.72884	0.3
72.26601	0.3
83.05036	0.7
84.02167	0.3
85.02953	0.8
97.06580	0.7
125.09714	2.9
127.11309	5.7
137.20035	0.3
141.07140	0.4
142.58096	0.3
155.14421	2.3
157.31065	0.4
159.81036	0.3
165.12845	0.7
167.14400	1.4
171.10295	5.1
183.13910	1.2
199.94839	0.4
201.14993	0.7
209.11815	3.3
211.13432	6.4
227.13263	0.4
229.14444	100.0
230.14799	4.1
248.81741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1557
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
56.68264	0.8
62.19193	0.6
69.09763	4.2
69.10188	2.6
74.31777	0.7
75.50895	0.7
79.62811	0.7
84.08179	0.8
98.06097	0.9
98.21788	1.4
104.74885	0.6
114.09267	1.8
115.08758	5.1
117.55647	0.6
126.93614	0.6
130.08748	40.5
184.26370	0.7
185.16594	36.7
186.16849	0.7
224.70258	0.8
229.15575	100.0
230.15811	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	230.0824
Annotation	Bruceolline I
Peak:m/z	Relative Intensity
52.28057	1.1
57.38296	1.0
65.03970	1.7
67.01887	1.8
69.66930	6.8
81.03464	28.3
92.05083	1.3
96.04530	1.2
98.24302	1.2
103.05580	1.3
103.30427	1.2
108.04549	2.1
116.35460	1.0
121.05345	2.4
122.06166	2.4
122.72978	1.1
124.04053	4.1
129.05862	2.4
130.06610	2.2
132.04561	5.9
136.04051	12.3
137.04842	3.5
141.03528	1.5
143.05017	3.0
148.04053	32.5
149.04845	13.5
150.05615	12.9
156.08212	4.6
157.05336	9.9
158.06067	2.9
161.06068	5.2
164.03580	1.8
166.06616	1.6
168.04550	3.9
168.08264	1.5
169.05319	5.6
171.06880	3.3
172.07692	33.6
173.08232	1.1
174.09280	7.8
182.06137	18.0
184.07693	12.0
187.06395	1.5
194.06122	1.6
196.04092	1.3
197.04849	13.8
198.05527	1.3
200.07185	80.9
201.07684	3.6
202.08754	11.6
210.05635	6.1
211.06473	7.0
212.07176	100.0
213.07527	2.9
213.32736	1.3
222.28882	1.3
226.05083	3.4
228.06766	1.3
230.08234	93.9
231.08626	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	231.135
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.33506	1.3
59.01374	12.4
70.40811	1.4
71.30215	1.7
72.00900	3.9
72.99306	5.2
73.04078	18.0
78.95914	1.7
86.08131	1.6
99.09101	1.7
105.01970	1.5
116.07166	1.8
130.08748	93.6
131.08252	9.0
143.11909	29.4
147.04547	4.9
164.07166	15.9
170.46031	2.0
173.10388	2.0
186.80659	1.6
187.10886	100.0
188.11276	2.1
188.97183	4.8
189.43605	1.8
231.13531	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	231.1351
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
54.46324	0.8
58.02974	3.6
59.01373	1.1
70.54394	2.1
72.00904	2.0
72.99314	7.7
74.02479	28.6
82.06648	1.9
85.04081	2.6
99.79031	0.8
118.02600	0.9
126.09263	8.7
128.07155	1.5
130.08727	3.3
132.98199	2.7
139.08781	4.8
141.04306	0.7
141.10338	7.0
143.11911	33.8
143.13054	1.7
144.12149	0.9
151.49767	0.7
169.09837	14.4
169.13466	2.7
187.10889	100.0
188.11264	2.3
188.97214	8.9
231.13509	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1604
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03453	1.5
59.01368	0.9
62.99265	0.2
69.15464	2.3
71.01396	0.3
76.53823	0.3
83.05012	0.3
87.04523	0.3
112.88504	0.2
117.62845	0.3
125.09715	0.5
127.11301	2.5
135.07578	0.3
148.19127	0.2
155.14384	0.5
171.10281	4.6
183.13905	0.6
185.15521	0.5
187.07631	0.3
189.12874	0.4
195.13922	0.6
211.13431	0.3
213.14970	5.1
229.14456	3.5
231.16011	100.0
232.16364	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	232.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72307	1.9
59.01383	8.7
61.53252	1.6
63.80122	1.7
69.03471	1.9
69.03781	20.4
98.22646	3.5
121.03016	1.8
131.80434	1.9
133.01962	1.9
133.02980	33.2
134.03720	7.0
137.02463	5.8
139.03996	2.4
161.02457	100.0
162.02869	3.3
178.02724	9.0
232.06165	27.9
233.15479	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31661	2.1
57.03451	5.3
58.02982	3.4
59.01382	34.5
70.72007	5.5
71.01388	25.3
72.99321	13.7
74.02484	22.0
74.99722	3.9
75.02826	4.7
76.02911	6.8
80.96514	2.2
83.01411	7.3
83.05022	2.1
85.02966	9.2
87.00893	3.5
90.97187	2.8
96.96009	2.6
97.02953	3.3
99.00857	11.2
99.71284	2.4
103.71393	2.5
103.90494	2.6
109.02913	3.4
111.00889	7.2
126.09302	2.9
127.00401	5.1
129.01985	6.5
132.98253	5.4
143.11923	9.8
144.12267	7.7
145.12555	3.1
146.12982	2.3
160.97736	2.6
170.10226	4.4
171.10335	3.5
186.27864	3.2
187.10938	12.3
188.11246	29.1
189.05557	3.2
189.11378	32.3
191.02213	2.5
214.98875	2.9
232.13861	4.0
232.99123	4.8
233.15549	100.0
234.15805	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20783	0.3
56.22042	0.3
59.01381	0.7
59.96739	0.5
60.97522	0.5
69.30996	1.8
69.31403	0.7
74.99078	7.8
75.96225	0.4
91.02206	0.8
93.00153	3.2
98.22659	0.3
118.96297	1.3
134.99413	8.4
136.95013	0.3
136.97354	3.0
141.07359	0.4
143.05333	0.6
149.00967	75.5
150.00925	2.2
150.98907	1.4
159.08566	2.4
161.06396	4.0
215.05670	1.5
217.07219	100.0
217.36644	0.3
218.07352	5.7
233.10358	98.6
233.15405	19.0
234.10501	5.2
234.15854	0.8
235.08307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96567	0.8
59.01382	6.4
61.83948	0.7
70.78535	1.7
75.00884	1.1
83.05032	1.0
137.09732	1.0
145.02985	1.5
147.11815	0.9
163.11302	1.8
165.12860	23.9
166.13272	1.3
173.02505	1.3
176.78865	0.9
190.98698	0.8
195.00320	0.8
199.28696	0.7
205.12161	1.5
231.10112	2.9
232.97470	0.8
233.02252	2.2
233.11664	84.7
233.15440	100.0
234.11996	3.3
234.15869	3.3
249.11145	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	234.0408
Annotation	Pyranonigrin D
Peak:m/z	Relative Intensity
52.89985	0.5
59.01376	1.0
65.99843	0.7
71.32816	0.7
73.12114	0.4
82.40752	0.4
87.02005	0.6
106.57523	0.4
108.02173	0.9
109.02979	0.7
120.04537	1.2
131.03671	0.5
132.00919	1.1
132.04576	0.5
134.06210	0.4
135.00877	0.8
144.04559	0.8
145.02954	1.3
147.03276	12.1
147.04462	0.8
148.01649	2.7
148.04016	1.4
149.01106	0.7
150.01978	1.8
151.02719	0.4
159.03224	0.6
160.04034	5.1
162.01961	0.7
162.05611	1.6
172.04086	2.5
174.01860	0.4
175.02762	14.8
176.03561	5.7
178.05049	3.1
188.03563	1.1
189.04366	0.4
190.01482	0.6
190.05072	0.8
204.03041	1.1
206.04636	4.0
217.03740	0.7
232.02655	0.4
233.03273	1.4
234.04079	100.0
234.15807	6.0
235.04433	4.0
235.06764	0.6
235.07272	0.5
235.13383	0.9
244.16742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0615
Annotation	5,7,8-Trimethoxycoumarin
Peak:m/z	Relative Intensity
59.01390	1.4
65.00324	1.2
65.03964	1.9
67.01900	1.5
67.54931	0.6
67.55307	0.7
68.01412	1.4
70.37611	0.5
73.02951	0.8
79.05552	1.4
79.46241	0.5
91.05547	15.9
93.03486	3.7
95.05066	1.1
96.99326	1.6
97.06603	2.5
106.04275	1.1
107.05044	100.0
108.05381	1.6
109.03030	1.1
111.00879	6.0
115.09717	0.6
119.05072	0.9
121.02979	6.2
121.06615	11.2
123.04558	3.0
131.05035	0.9
132.05795	1.8
135.04538	8.5
145.06609	1.4
147.08183	11.1
149.06149	1.4
163.07677	36.0
164.08035	1.7
173.06087	0.6
191.07158	20.1
192.07631	0.7
209.04932	1.0
235.06113	11.1
235.13385	1.7
235.16101	0.9
236.05714	1.7
250.72429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1089
Annotation	3061-90-3
Peak:m/z	Relative Intensity
59.01375	3.2
69.52802	2.2
69.53213	2.0
70.02980	2.8
87.05643	100.0
88.04066	0.8
88.05981	1.1
91.05537	4.8
113.51215	0.7
147.04530	23.0
151.05348	0.6
164.07187	7.5
191.11934	4.1
235.10895	73.4
236.11230	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85854	0.2
58.60107	0.2
61.98823	0.4
65.02302	0.2
67.71561	0.2
70.32384	0.5
70.32748	0.4
77.22302	0.2
79.44891	0.2
99.72108	0.2
107.05035	0.2
111.04504	0.2
120.57219	0.2
134.03758	0.7
135.04550	0.6
136.05292	0.7
147.04625	0.3
148.05313	13.4
149.06024	0.7
149.09691	1.9
151.07707	0.3
162.06860	0.8
175.07622	0.3
176.08434	1.0
177.09218	52.7
178.09537	1.8
180.08037	0.3
190.10008	1.8
191.10753	0.9
192.11574	38.4
193.11870	1.5
201.09247	0.8
202.09416	0.2
203.07156	0.9
206.09521	0.4
217.08708	3.8
218.09497	8.9
231.91263	0.2
236.10550	100.0
237.10895	5.1
240.41304	0.3
256.63016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	0.5
59.01384	3.5
65.00331	0.8
69.69891	2.2
69.70294	1.0
71.01395	1.0
77.03970	3.3
78.95924	4.2
80.96531	2.2
87.00900	0.7
89.03979	16.3
91.05585	0.6
93.02880	1.1
93.03471	21.2
95.01416	0.6
95.05019	3.9
96.96047	0.6
98.22419	0.7
101.02473	0.8
105.03476	9.0
108.02200	0.8
113.95810	0.5
115.48093	0.5
121.02972	40.8
122.03310	0.6
123.04552	1.9
129.53712	0.5
132.02208	4.0
133.02977	9.4
139.04012	1.5
148.01630	0.7
149.02463	25.3
150.02759	0.8
165.01880	0.7
176.01141	3.7
177.01953	100.0
178.02319	3.2
194.93703	0.6
215.14127	0.5
237.03976	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	237.077
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
50.25982	0.2
50.36839	0.2
55.01877	0.3
59.01368	0.3
59.60606	0.2
65.00277	0.2
68.89616	0.2
69.03455	0.2
69.43545	0.2
69.47157	1.3
72.70587	0.2
81.03445	0.8
82.89316	0.2
83.05043	1.4
85.02952	0.6
95.05009	0.3
104.65418	0.2
107.05039	0.3
109.02978	0.4
112.01671	0.4
121.02962	0.3
122.03728	0.8
123.04523	0.4
125.02458	1.6
135.04469	0.3
136.05302	1.9
139.04019	9.4
149.09708	0.9
150.03250	3.5
151.00385	0.4
151.04033	3.9
152.04796	1.8
153.01950	1.6
164.04808	6.1
164.08429	0.3
165.09241	1.7
167.03508	1.0
167.18628	0.2
178.06372	0.3
179.03561	1.3
179.07144	0.3
190.02791	0.3
193.08704	100.0
194.09023	3.4
219.06668	4.6
237.07693	19.3
237.14987	0.4
238.08017	0.9
248.04770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.8
63.83611	0.7
63.96268	0.7
69.12292	2.8
69.12720	3.9
78.95937	1.0
93.03490	1.1
105.25992	0.6
107.05058	0.9
119.01450	2.8
121.03043	1.9
147.00893	14.7
147.01939	1.2
149.02493	1.5
151.04050	2.4
159.91196	0.7
164.01183	1.4
165.01880	0.8
175.00429	0.8
179.03506	38.3
180.03804	1.7
180.68784	0.8
193.08826	0.7
207.02995	100.0
208.03319	2.8
221.04520	1.1
222.05344	80.2
223.05707	2.9
237.07666	30.2
237.11259	1.4
237.14938	1.2
238.08002	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	237.0923
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
59.01396	1.3
69.71313	3.5
69.71731	2.2
85.53689	1.0
91.05547	11.1
116.92898	1.4
117.03481	33.9
119.05067	5.5
121.02970	1.9
121.39995	1.1
135.04549	3.5
137.97897	1.1
146.54938	1.0
166.05453	1.1
193.16090	2.0
209.09807	1.2
237.09238	100.0
237.14752	6.8
238.09496	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	237.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.6
57.03447	4.9
58.00593	4.6
59.01385	100.0
71.01392	77.3
71.01798	3.2
71.31056	2.9
72.99312	5.7
73.02957	28.5
73.04079	20.3
74.02487	22.9
75.00874	2.1
83.01400	12.9
83.02483	1.7
85.02963	39.2
85.03489	2.0
85.04079	14.2
87.00887	6.8
87.05663	2.0
89.02456	32.0
91.04021	2.0
93.03498	2.3
95.01395	6.7
99.00883	8.6
101.02453	69.7
103.04036	4.4
106.04293	2.0
107.05048	22.9
113.02454	23.4
115.04113	1.6
119.03503	5.4
119.05037	7.2
121.02956	2.4
131.04665	12.1
143.03458	3.1
159.02988	6.0
161.04550	20.2
163.06137	2.7
176.07172	2.1
177.01996	8.7
180.06693	4.4
193.09828	1.9
197.31866	1.7
209.25529	1.8
233.39088	1.7
237.08688	43.4
238.09117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01372	0.3
69.38478	1.8
73.02939	0.4
81.03471	0.3
87.04543	0.3
89.06079	0.6
93.03479	0.2
95.08685	1.4
96.65226	0.2
96.96015	0.4
99.00922	0.3
108.04559	1.4
121.02953	0.8
121.06615	15.8
122.06956	0.4
123.08167	0.3
131.08670	0.3
137.09743	100.0
138.10081	2.8
149.09724	0.4
161.02539	0.3
167.75453	0.3
175.07709	0.7
175.11308	2.4
193.12328	0.4
237.07671	0.6
237.11226	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	238.145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33038	5.2
82.41347	5.0
85.71811	4.9
91.07267	5.1
97.22131	4.7
100.65931	5.5
113.29824	6.1
118.88655	5.3
121.40101	4.7
138.21597	4.7
140.84694	5.3
148.88791	5.5
183.13914	5.9
195.13878	25.3
211.13431	100.0
223.03009	10.2
238.11304	5.6
239.03299	5.4
239.06734	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	239.0562
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
58.96175	1.2
59.01384	1.9
62.78455	1.1
65.33443	1.1
69.51836	7.6
73.81488	1.4
87.00882	12.6
91.01881	1.3
93.03426	2.8
98.22488	2.3
105.75854	1.4
106.04298	6.2
107.05033	36.7
108.02166	3.9
121.02996	7.3
130.70271	1.2
133.06589	20.1
135.04492	5.5
147.04453	1.3
148.87500	1.3
149.06085	54.4
161.18655	1.4
177.05582	56.5
179.03503	90.0
180.03841	2.0
195.06660	8.8
211.07596	2.7
221.04494	4.1
239.05534	100.0
240.05856	5.4
248.83911	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	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.81224	1.2
59.01372	6.7
69.03399	1.4
69.11668	5.6
69.12085	8.7
71.01387	2.0
72.99303	2.3
78.95911	3.7
80.47787	1.5
81.03445	3.9
82.40892	1.4
85.02964	1.6
87.00454	1.2
87.00883	10.8
93.03448	4.2
97.02939	1.8
99.00851	1.5
106.04244	6.4
107.05042	61.3
108.02148	3.4
108.05363	2.1
109.02931	3.0
109.06597	2.1
114.05611	4.1
121.03002	7.1
123.04531	2.9
124.01692	3.9
125.02457	12.9
133.06590	16.8
135.04495	6.3
136.07651	1.5
136.98592	1.5
137.02478	2.5
149.06093	45.5
151.04024	13.3
151.07668	9.9
152.57777	1.9
154.99637	1.9
163.07568	1.7
177.05586	52.8
178.05975	1.7
178.96025	2.9
179.03510	86.2
195.02986	4.0
195.06648	10.6
196.03807	1.4
206.96915	1.9
221.04506	3.0
223.02864	2.5
237.33430	1.3
239.05586	100.0
240.05873	2.9
244.25523	1.6
248.19334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90129	1.1
57.91836	1.1
71.33038	1.9
74.99073	17.1
91.02211	9.3
93.00148	7.6
96.25330	1.2
97.04176	1.2
116.92856	1.8
121.02900	1.2
123.00881	1.3
149.00995	8.3
159.41837	1.1
179.03481	1.4
179.27736	1.2
195.13873	3.9
206.99681	4.4
207.04123	3.0
223.02850	100.0
224.02908	4.5
239.06886	10.4
239.12199	1.4
241.04005	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40458	0.2
58.74823	0.2
59.01381	0.4
59.96707	0.3
69.14853	1.0
69.15284	0.9
74.99076	12.2
75.21600	0.2
75.96218	0.5
79.70879	0.2
91.02211	9.2
93.00141	5.2
96.96021	0.2
133.32646	0.2
149.00963	5.6
156.33688	0.2
195.13791	0.3
206.99699	3.3
211.85765	0.2
223.02846	100.0
224.02890	4.7
239.06389	0.7
239.12857	0.3
241.03877	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	239.0928
Annotation	CMPF
Peak:m/z	Relative Intensity
57.03433	6.5
59.01373	6.1
64.63258	2.9
66.70385	2.9
71.04672	2.6
71.05028	19.9
71.32210	4.2
79.05547	2.4
81.03463	2.7
82.52722	2.4
85.26602	2.2
93.03471	3.9
93.07108	49.7
96.96026	47.0
97.06611	2.5
107.03560	2.3
121.06608	3.2
125.82851	2.6
133.10255	100.0
137.06087	21.6
149.06093	3.8
149.09706	5.0
151.11301	33.7
159.10306	19.0
177.05582	2.7
177.09250	15.1
179.03546	4.5
180.61581	2.6
181.05058	5.3
195.10284	74.4
207.03983	2.9
221.08179	11.1
223.02910	5.5
239.05965	39.6
239.09279	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.82773	0.8
57.03452	90.7
58.03775	1.2
59.01387	1.1
69.03459	5.5
69.07061	1.1
69.07456	6.3
71.05010	4.2
81.07101	0.9
84.07586	0.6
94.65619	0.6
95.05063	1.6
96.62335	0.6
97.06599	1.6
107.05048	2.9
109.06596	18.0
109.10248	1.0
120.05819	3.0
121.02929	0.8
121.06617	1.5
122.03800	0.8
123.08171	33.4
124.08527	1.2
125.09715	5.5
133.06528	0.7
135.08188	7.3
137.09735	1.5
138.10123	0.8
139.10368	1.0
149.09732	1.4
151.11302	19.9
152.11720	0.9
166.93141	0.7
177.12842	2.5
179.10835	4.7
195.13913	85.8
196.14258	2.8
217.88753	0.6
223.02870	0.9
239.12909	100.0
240.13211	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
54.68245	4.5
59.01377	10.0
61.98823	6.0
69.35134	30.7
76.63123	4.2
96.96010	8.4
98.72673	3.9
99.94989	3.9
130.82219	3.8
160.84244	9.4
170.88428	5.0
195.12251	8.0
195.13910	100.0
223.02834	14.4
226.61082	4.4
239.06758	4.5
239.12813	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	239.1291
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03440	0.7
59.01394	2.1
69.16328	0.9
69.16747	2.9
79.64220	0.4
86.59146	0.4
90.29050	0.4
95.05026	1.5
96.84737	0.4
96.96037	0.9
101.06092	7.8
107.05058	0.5
109.06592	6.0
111.08167	4.6
122.03738	0.7
125.09714	1.0
135.11758	0.9
138.06805	0.4
139.04018	14.1
140.04366	0.5
151.11278	0.7
154.06366	35.0
155.06714	0.6
167.14433	9.9
179.10776	4.9
182.05867	3.9
195.13908	100.0
196.14279	4.1
223.02850	1.3
239.06888	4.3
239.12904	5.7
239.16524	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	239.2018
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
52.00336	1.6
53.91792	1.2
53.92063	1.3
54.03443	1.2
59.01384	6.6
66.69639	1.4
69.63903	7.8
103.01520	1.3
179.03537	1.6
195.13881	3.4
207.04092	2.8
221.19179	2.0
223.02867	2.5
239.06850	12.7
239.20172	100.0
240.20529	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	241.0033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62936	0.8
59.01376	20.6
60.48891	1.1
67.01897	2.4
69.03448	6.9
69.22605	8.0
71.01379	2.4
78.95901	2.6
81.03472	4.7
87.92526	2.2
90.97150	6.7
95.01401	1.4
97.02948	6.9
103.92026	7.6
104.92795	3.6
114.94855	1.3
118.96649	1.2
124.96997	4.8
125.02455	18.1
129.36412	1.1
132.98203	31.6
140.96457	6.1
143.00285	3.4
144.98235	2.0
150.97144	2.3
152.96460	8.2
155.03488	0.9
156.95917	2.1
158.99814	1.0
160.97701	7.0
162.95602	3.9
164.98712	3.4
165.01994	1.4
168.95963	13.3
168.98149	3.1
170.99730	6.0
174.99237	3.2
182.99721	2.7
185.01364	7.2
186.96962	7.5
186.99246	12.1
192.98175	5.1
196.95348	1.3
197.01299	4.3
197.12984	1.8
198.99245	4.0
201.00740	4.5
210.99266	17.2
213.00822	55.8
214.01172	2.2
214.96603	5.8
215.02386	96.8
216.02684	2.1
222.99147	3.9
229.00278	16.6
240.94823	5.2
241.00310	100.0
241.08301	2.2
241.11891	1.6
241.21729	3.0
242.00661	2.8
242.06081	1.0
256.99774	2.9
259.01382	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	241.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04354	1.8
55.97939	1.7
56.37526	1.5
56.92616	1.4
57.03446	3.5
59.01376	3.6
60.72597	1.5
69.03454	1.8
69.54052	9.0
71.05003	1.6
73.02945	24.2
74.48823	1.4
74.50710	1.4
81.03427	2.1
83.04993	1.7
97.06587	5.6
99.04532	2.0
103.67567	1.5
107.08652	4.4
125.02442	1.7
127.21649	1.7
135.08139	3.9
138.76805	1.7
151.07719	1.8
153.09222	100.0
153.12833	5.2
154.09546	1.8
179.07114	11.4
179.10707	1.8
187.85611	1.6
190.57587	1.7
197.08189	3.6
197.11807	12.0
241.04907	2.0
241.10896	7.7
241.14264	4.6
241.21771	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	241.0832
Annotation	Thymidine
Peak:m/z	Relative Intensity
59.01389	14.9
61.26800	2.9
75.89930	3.2
82.61038	3.0
112.04032	2.9
121.31901	3.0
125.02496	3.4
125.03570	10.7
140.05070	3.0
151.05153	19.2
153.01277	4.9
164.33759	2.7
197.13028	17.6
213.00919	5.6
213.05467	4.1
215.02341	4.9
241.00452	4.8
241.08347	100.0
241.11882	15.8
242.06021	3.9
242.08600	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	241.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34580	0.7
54.36833	0.8
54.83778	0.8
58.02970	2.0
58.77719	0.8
59.30806	0.7
66.92118	0.7
69.04281	5.5
69.04697	2.9
70.02990	4.9
82.02995	31.9
82.06622	1.8
84.04568	4.5
84.22975	0.8
96.04572	0.9
109.04143	0.8
110.02498	2.3
111.03279	2.1
112.04057	7.9
114.09253	2.2
126.09252	2.5
127.05145	5.3
130.08755	11.3
136.38519	0.9
139.77016	0.7
141.10371	23.1
154.12379	1.6
167.11877	1.2
168.09065	2.4
169.09880	1.8
169.13496	3.1
197.12970	89.0
198.13321	3.4
210.66301	0.7
214.78473	0.9
223.10948	0.8
227.94603	0.7
241.11967	100.0
242.12262	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.7
64.60153	0.3
66.20217	0.3
66.75634	0.3
69.49191	1.8
79.95744	30.3
80.96526	5.6
94.98117	0.4
98.21807	0.4
106.98103	5.1
107.55434	0.4
116.07197	0.6
121.02905	0.6
124.00754	100.0
125.01096	0.7
126.05604	0.9
129.10355	0.4
130.08723	0.6
213.05539	1.3
241.05003	1.5
242.04915	62.1
242.18709	0.5
243.05101	1.9
243.06960	0.6
243.10352	0.4
243.17050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Spongouridine
Peak:m/z	Relative Intensity
52.82463	1.3
58.39153	1.2
59.01365	2.5
59.67316	1.4
66.03491	13.2
68.01422	2.5
71.01380	3.4
71.30328	2.0
72.99311	2.3
78.95892	4.3
81.75124	1.3
82.02990	29.2
87.00872	4.7
87.92535	1.5
88.04062	1.4
93.58936	1.3
94.03014	2.3
96.00900	2.0
96.04549	1.4
99.86472	1.3
101.01059	1.4
101.02470	3.3
103.92020	3.1
108.04537	3.0
110.02486	100.0
110.99398	2.1
111.02015	4.3
111.02740	1.4
122.02486	6.9
124.04065	2.7
126.98876	18.3
127.05155	4.3
128.03534	2.8
137.84590	1.4
140.03569	8.6
145.09842	3.3
152.03531	11.9
153.03064	8.8
169.98694	1.4
173.01105	2.5
182.97858	19.1
200.03906	2.4
200.05663	30.9
200.36607	1.4
200.98914	5.1
212.88019	1.6
243.06233	18.0
244.13043	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01880	0.5
59.01379	1.0
66.03489	14.4
68.01414	2.8
69.53616	2.9
69.55237	0.5
71.01369	2.4
82.02985	30.0
83.01385	1.0
84.04565	0.6
89.02441	0.6
94.02996	2.6
96.04546	2.3
108.04574	3.1
110.02483	100.0
111.02016	6.5
111.02787	1.2
117.01945	0.9
122.02502	8.8
124.04047	3.3
126.05579	0.6
132.03020	1.1
134.02376	0.6
138.02023	0.7
138.05653	0.6
138.89400	0.6
140.03539	10.4
146.99352	0.6
152.03543	19.0
153.03067	8.9
182.04601	0.8
200.05647	37.2
201.05949	1.0
207.53328	0.5
243.06224	25.1
244.06573	1.1
254.49887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.22519	0.3
69.49860	1.4
69.50269	0.6
71.29533	0.3
73.18747	0.3
85.02966	0.7
90.71824	0.3
93.03469	3.9
97.02967	0.3
108.02218	0.7
109.02962	5.9
119.05009	0.4
121.02964	27.8
122.03264	0.5
130.08636	0.4
135.04539	5.7
137.02550	0.3
141.07172	0.5
145.06596	0.4
146.03772	0.3
155.05121	0.3
158.03751	0.4
159.04501	1.8
159.08235	0.4
161.02429	0.3
169.06656	1.6
172.05339	2.9
173.06079	2.0
180.05824	1.2
181.06659	0.5
183.04449	0.4
185.06085	2.1
187.07684	2.0
195.04422	0.8
196.05318	2.4
197.06093	4.3
198.06821	0.6
199.03993	0.9
200.04788	0.8
204.04294	0.6
208.05203	0.9
209.48308	0.3
212.04688	0.5
213.05569	3.7
214.06290	1.1
215.07124	3.1
224.04716	1.7
225.05603	5.8
226.06357	18.1
227.06720	0.7
241.05081	6.1
242.05855	13.5
243.06612	100.0
244.06982	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	243.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62764	0.3
59.01373	0.6
66.92318	0.3
69.68734	1.6
81.03488	0.3
85.02949	0.6
89.20596	0.3
93.03468	4.5
108.02187	1.0
109.02964	7.3
110.02463	0.5
119.05061	0.4
121.02967	30.4
122.03296	0.9
129.10330	0.5
130.08739	4.6
134.03777	0.7
134.91277	0.4
135.04532	5.7
139.04042	0.5
141.07138	1.1
147.04401	0.4
149.02461	0.6
158.03804	0.5
159.04527	2.9
169.06589	1.7
172.05273	2.6
173.06120	2.1
180.05798	1.3
181.06677	0.5
185.06114	2.9
187.07655	2.8
195.04660	0.4
196.05264	2.4
197.06094	4.2
198.06616	0.5
199.03981	0.7
199.07614	0.7
199.18159	3.8
200.04730	1.3
201.05566	0.6
204.04268	0.8
208.05255	0.8
213.05618	4.2
214.06261	1.4
215.07129	2.9
224.04730	2.4
225.05582	6.3
226.06361	18.4
227.06772	0.6
228.04210	0.4
241.05054	5.9
242.05836	14.9
243.06615	100.0
243.17126	11.9
244.06944	4.5
244.17461	0.4
247.94368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03460	2.9
64.42844	2.4
70.56896	5.8
71.05015	5.5
77.47501	2.5
85.00450	2.4
97.02952	7.2
99.00898	31.7
105.49506	3.0
110.02470	3.2
125.09727	9.7
142.02721	3.3
163.11284	9.9
181.12334	25.2
199.13396	28.1
207.10278	56.7
207.75128	2.8
225.09163	5.3
225.11349	100.0
243.12399	87.5
244.12807	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
60.48926	3.1
66.21500	2.8
70.62712	5.8
70.63020	4.0
73.02959	4.1
85.00449	6.8
99.00850	17.6
125.09756	4.8
158.94615	3.2
162.83954	4.8
163.11322	4.4
181.12379	15.4
199.13402	15.1
207.10277	26.1
225.11339	62.6
243.12375	100.0
243.78839	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1239
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03438	3.7
59.01384	59.1
71.05031	2.1
73.02932	4.1
75.25297	1.3
76.95841	1.7
83.05034	2.3
97.02991	2.2
97.06593	2.2
99.00884	4.1
125.09760	1.9
129.05579	2.2
130.08780	1.6
137.09767	2.0
139.11299	40.8
163.11284	4.2
165.09230	2.2
181.12366	37.9
183.10281	53.5
184.10594	2.1
199.13403	33.0
201.11243	3.7
207.10217	12.9
225.11340	57.1
225.73563	1.6
226.11784	2.6
243.12389	100.0
244.12854	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	243.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00418	1.1
66.03491	1.1
69.66979	3.4
69.67401	1.1
72.40872	0.7
81.90021	0.8
82.06624	5.6
98.21837	1.3
108.78852	0.8
114.09290	1.1
129.10374	2.3
130.08748	34.7
137.92081	0.8
138.61015	0.8
141.10316	1.0
148.55304	0.7
174.35854	0.8
176.68074	0.7
182.15500	4.8
199.18158	29.6
200.18526	1.2
243.06393	1.5
243.17140	100.0
244.17482	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	243.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08889	2.3
54.50789	2.2
62.35509	2.4
63.92587	1.9
67.30467	2.2
68.10464	2.3
69.68475	2.0
70.75823	5.6
70.76177	3.4
88.43658	2.5
98.08443	2.1
100.23873	2.2
110.02505	2.5
129.10359	2.3
130.08754	43.8
130.13768	2.2
130.14766	2.1
150.44763	2.1
169.08002	2.2
179.03191	2.2
199.18158	28.4
200.18576	2.8
221.93813	2.2
243.17134	100.0
244.17349	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03448	2.0
71.31026	3.1
77.59037	1.8
82.06638	3.3
85.00458	1.9
92.35896	2.4
107.91215	2.3
109.01685	4.9
110.02479	3.0
129.10312	5.8
130.08743	46.3
148.73694	2.5
152.03442	2.4
182.15553	3.8
189.74626	2.0
199.18167	27.5
243.17140	100.0
243.42348	2.0
244.17467	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1965
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
60.13779	1.6
71.32549	3.4
81.05853	1.5
99.92609	2.0
110.02463	1.8
116.92928	2.2
127.82220	2.0
188.06979	1.8
195.17555	5.2
197.17287	3.7
197.19110	70.7
198.19551	2.9
225.18639	2.9
243.19669	100.0
244.16972	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	244.1303
Annotation	GLY-GLY-ILE
Peak:m/z	Relative Intensity
52.35845	0.8
58.02980	9.7
59.01362	1.2
67.05718	0.9
70.02981	3.3
70.08298	1.9
70.08686	2.3
73.04070	5.7
74.02477	21.9
78.95905	8.4
79.58727	0.9
82.02966	1.0
82.06628	1.9
83.02490	1.0
83.31139	0.9
87.05617	2.0
90.51382	0.8
95.30280	0.9
96.00914	1.0
98.02486	23.7
98.22496	1.1
109.01693	1.9
112.07755	1.2
113.03587	33.2
116.07218	1.5
126.04325	1.1
129.10301	1.4
130.08749	100.0
131.09120	2.0
139.08813	2.5
140.07181	3.7
141.10365	13.8
143.11905	16.5
145.09789	0.9
155.11891	1.4
165.10362	2.4
166.08748	1.9
169.09850	7.1
182.13083	2.2
183.11414	9.7
200.14069	8.4
202.12100	1.4
210.07697	4.6
226.12045	1.7
227.10382	17.6
236.07355	0.9
244.06827	1.1
244.13029	45.6
244.16747	2.9
245.13297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01771	1.5
58.02984	1.7
59.01380	9.5
70.02998	1.9
71.01385	16.3
71.30480	1.7
72.99303	4.6
73.02924	2.0
73.04065	2.4
74.02483	1.8
78.95899	6.7
82.03008	3.2
84.04539	2.8
87.00874	13.5
88.04043	30.0
96.96973	4.2
102.05618	6.2
103.92012	3.0
110.02484	2.1
112.07708	4.9
115.00386	26.3
115.08771	7.3
116.07182	53.9
118.05100	2.5
126.98904	2.1
127.05209	1.9
128.03552	28.1
128.98674	2.0
129.10355	100.0
130.08743	36.4
130.10709	2.6
131.08232	5.6
140.10796	2.8
145.09830	5.4
148.04384	4.6
152.95988	2.8
152.99651	1.7
155.11908	1.6
157.13481	14.6
165.86438	1.6
170.97037	6.0
173.10458	2.3
174.99205	11.9
179.81493	1.7
183.11368	7.8
184.07159	1.6
184.97670	4.5
184.99397	2.8
201.12457	42.7
202.08261	2.4
202.11908	2.7
202.98637	2.8
205.82526	1.6
209.09369	2.8
227.10356	20.6
227.12228	3.1
244.90280	2.2
245.11426	86.1
246.11740	4.0
246.17107	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	245.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92043	3.4
56.23760	2.8
58.51020	2.6
59.01371	21.2
61.50412	2.8
69.61760	15.5
70.02966	4.0
71.01380	10.5
72.99314	64.5
78.95908	9.6
82.02969	4.3
85.02886	3.3
87.00884	8.7
88.04034	16.3
94.29475	2.8
97.02978	3.8
98.02473	4.1
102.05605	10.9
109.01699	8.4
112.07719	3.2
113.03587	17.3
114.01986	6.3
115.00386	17.7
115.08796	15.9
116.07180	89.5
117.00507	4.7
123.04548	3.4
128.03557	28.3
129.00516	3.3
129.10345	58.0
130.08749	100.0
130.96648	6.7
130.98390	6.7
140.07208	11.4
140.10869	5.0
145.09868	4.3
146.92540	5.2
148.04427	7.1
148.97673	5.2
151.66920	3.2
152.95969	30.5
152.99574	4.4
156.10371	4.2
157.13490	22.1
170.97012	46.5
171.00638	4.1
172.99498	25.4
183.11403	25.1
184.95816	3.9
184.99399	4.9
201.12453	39.4
201.17924	3.6
202.95134	23.7
202.98796	7.7
210.07751	10.2
227.10393	52.8
227.12430	7.4
244.90372	7.4
245.04337	6.3
245.06705	4.7
245.11400	88.9
245.17055	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1185
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
59.01387	1.8
59.62991	1.2
65.02785	1.6
71.33785	2.2
117.03471	24.9
119.05042	100.0
120.05361	1.8
121.02987	6.1
123.04516	3.0
133.03015	2.0
145.02980	41.1
146.03297	1.2
151.75432	1.1
160.84227	1.8
163.04031	44.1
245.11845	83.0
246.12132	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	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
59.01382	5.0
71.21258	3.8
98.22537	10.1
122.98417	4.7
165.12877	22.6
183.13921	15.4
186.85670	4.5
201.15074	9.3
203.97786	4.7
209.11850	13.4
227.12894	70.2
245.13950	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	246.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91974	0.4
59.01373	3.1
70.52809	0.5
70.53141	1.0
71.44228	0.4
72.00515	0.8
72.00912	13.2
78.95902	1.0
83.66725	0.5
96.96970	1.3
99.92596	1.9
103.05561	1.1
115.92072	0.7
126.81694	0.4
147.04532	44.0
148.04845	0.8
164.07169	100.0
165.07523	2.7
192.61711	0.5
199.10835	1.2
246.07523	2.6
246.17159	0.7
247.11020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
92.36934	0.3
104.59113	0.4
111.00954	0.4
121.02958	0.8
132.01311	0.4
132.02153	1.7
133.02971	28.8
134.03787	4.7
137.02458	6.5
137.09776	0.6
139.04030	2.4
150.03265	0.6
161.02458	100.0
162.02774	2.1
178.02745	5.2
246.07712	27.0
247.08063	1.0
247.13487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0977
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01369	4.3
71.11020	3.0
84.48385	1.6
93.03461	2.0
109.02968	1.7
111.00863	2.3
121.02962	9.6
133.02975	31.6
134.03755	49.9
135.04500	5.2
137.02461	63.5
138.02744	2.1
139.04028	23.1
150.03218	6.7
159.04465	2.7
175.17352	2.0
178.02713	33.3
179.03529	10.1
187.04164	1.7
222.09541	1.9
247.03519	5.4
247.09750	100.0
247.16962	3.8
248.10155	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	247.0977
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
59.01381	5.2
69.12777	36.1
93.03489	4.0
95.35909	3.3
100.03648	3.3
106.04255	3.9
121.02957	10.7
133.02977	27.6
134.03737	51.1
135.04539	12.9
136.53076	3.3
137.02452	55.9
139.03976	19.7
143.07089	3.4
150.03288	7.5
159.56053	3.9
160.79088	4.1
161.02493	5.9
174.61722	3.3
178.02736	34.8
179.03543	11.9
202.00201	3.5
203.10789	12.2
247.09753	100.0
247.12595	5.5
247.13531	8.2
247.17010	3.8
248.09944	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	247.1124
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
71.16998	1.8
79.54372	0.8
94.25313	1.0
115.08760	1.4
116.07198	11.0
125.07211	1.9
127.08791	1.4
141.10361	15.1
147.04529	1.3
148.04390	7.4
155.11922	16.0
164.07231	1.4
165.07568	4.7
169.06216	1.9
180.85332	0.9
182.87935	1.0
192.66946	0.9
199.10912	36.2
200.11330	1.1
201.52751	0.9
203.12270	3.2
247.11244	100.0
247.53653	1.0
248.11534	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	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
55.12181	0.1
71.06480	0.1
71.32290	0.1
71.32663	0.2
80.37344	0.1
91.51021	0.1
168.84758	0.1
181.77109	0.1
188.28745	0.1
205.16039	0.3
220.17061	1.2
231.13986	0.7
241.50499	0.1
247.17053	100.0
248.17390	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
63.90346	3.5
68.20225	4.0
71.31531	5.0
73.99930	3.8
91.51585	3.1
99.04518	38.5
134.03789	8.7
149.06097	11.0
150.06898	5.5
161.13388	15.3
187.11333	6.2
205.12321	49.1
218.11877	3.5
234.11493	5.6
249.11305	41.4
249.15013	6.9
250.14481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1133
Annotation	(S)-1'-Methylbutyl Caffeate
Peak:m/z	Relative Intensity
53.47559	0.7
54.16500	0.6
61.98821	1.5
64.05154	0.7
67.11508	0.8
70.61880	2.3
71.41991	0.7
71.46171	0.7
73.85406	0.7
119.97820	0.8
121.02975	1.4
133.02971	18.0
134.03767	11.6
135.04538	27.7
137.02477	9.1
139.04007	3.4
150.03130	1.0
161.02457	29.2
162.02765	0.9
178.02693	2.5
179.03519	12.7
190.85226	0.8
234.11378	1.0
248.97195	1.9
249.11324	100.0
250.11722	3.7
250.14441	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	250.0946
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.15247	0.4
59.01373	1.9
61.98859	0.7
65.01460	0.4
69.90368	0.4
71.01395	1.4
71.31139	1.0
85.02950	0.4
87.39619	0.4
89.02453	0.8
92.02562	3.3
95.31908	0.4
97.03010	0.6
101.02433	0.6
107.03642	5.2
113.02482	0.5
115.60122	0.4
133.02991	0.6
133.03926	0.7
133.05263	0.9
134.04747	100.0
135.04393	3.0
137.02496	0.4
155.64349	0.5
160.06308	11.2
161.02473	0.6
161.04546	0.4
165.95644	0.6
176.05769	0.5
178.05074	0.6
179.03522	2.8
186.92439	0.5
205.12260	0.8
206.08252	0.6
218.11861	1.5
221.09299	0.9
224.95697	0.8
230.75861	0.4
234.11446	1.3
250.07298	0.6
250.09471	25.9
250.14493	38.6
251.09845	1.2
251.14883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.104
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
51.91015	0.6
69.39364	2.1
69.39786	2.3
69.93153	0.7
71.01373	0.6
71.02510	2.9
71.52156	0.7
72.00928	1.6
73.00563	0.6
73.04079	100.0
80.96560	0.8
91.05559	1.2
94.83540	0.6
98.22482	1.0
98.68647	0.6
103.05127	3.4
105.52084	0.6
109.02940	0.7
135.04564	6.8
147.04546	18.0
161.02513	1.6
164.07181	26.9
164.08574	1.4
170.71689	0.7
175.08707	0.8
177.10333	1.4
179.03513	4.7
189.05641	2.4
214.52003	0.7
221.09331	49.9
222.09608	1.8
232.77986	0.6
233.09308	1.7
251.10416	43.0
251.14799	2.6
252.10678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.104
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.59486	1.4
55.01872	4.8
57.03460	3.3
58.00610	2.3
59.01386	42.7
60.26148	1.5
60.99314	3.4
69.12591	14.9
71.01394	63.8
72.99309	3.9
73.02563	2.3
73.02956	18.6
73.04057	2.1
74.02489	29.0
75.00891	2.5
80.96526	2.0
83.01408	9.8
85.02969	30.1
85.04080	35.5
89.02460	12.5
91.05525	8.8
95.01416	4.2
97.02986	3.2
97.04092	19.0
99.00916	7.0
101.02459	53.2
101.03123	3.1
104.03584	4.0
111.00858	1.6
111.02012	18.3
113.02463	22.6
114.05627	2.3
118.06687	1.4
119.03528	2.3
133.02934	2.0
134.74301	1.5
135.03450	2.0
135.04539	22.2
139.02510	1.7
143.03488	3.0
153.04092	2.4
155.02049	1.9
159.02989	4.5
160.07712	6.5
161.02538	7.8
161.04575	21.1
164.07187	8.1
165.00397	2.2
171.55576	1.4
172.07748	8.9
175.08798	4.6
177.05710	1.9
179.03496	17.3
181.03624	1.9
189.05605	3.4
189.10432	12.0
197.03094	2.2
203.08328	5.5
207.01472	5.0
221.09335	100.0
222.09711	6.0
225.02628	3.2
251.00420	4.0
251.05836	4.0
251.10365	48.2
251.14886	6.4
271.89185	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	251.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.2
57.03454	5.5
58.00610	3.3
59.01388	45.9
59.70032	1.4
60.99292	2.4
69.03486	1.7
70.03037	1.4
71.01392	63.5
71.37502	2.8
72.00950	1.5
72.99322	3.6
73.02958	19.2
73.04061	1.9
74.02483	29.9
75.00883	2.3
80.96518	1.4
82.95055	1.4
83.01389	12.1
85.02970	25.8
85.03448	2.2
85.03550	1.9
85.04082	29.4
87.00898	2.3
87.05653	2.0
88.04050	1.4
89.02469	10.9
91.05561	7.8
95.01414	4.3
97.02910	1.4
97.04097	17.6
99.00916	8.5
101.02461	55.9
102.02784	1.6
103.60749	1.5
104.03581	3.5
107.40793	1.4
111.02032	18.7
113.02476	23.9
115.68621	1.3
118.42295	1.4
119.03520	3.1
125.02466	2.3
129.00246	1.3
133.02963	2.5
134.03786	1.8
135.04544	23.2
146.06105	2.1
147.04539	2.9
153.04123	2.2
157.05486	1.6
159.03047	4.3
160.07689	4.8
161.02489	5.5
161.04605	21.2
161.05949	3.0
164.07219	6.6
172.07692	10.6
175.08817	5.7
177.05539	2.4
179.03510	16.6
181.03598	2.6
189.05664	2.5
189.10368	10.0
197.03096	2.3
199.17836	1.6
203.08327	6.6
207.01556	4.2
221.09340	100.0
222.09683	1.8
225.02585	1.9
251.00563	3.2
251.05826	1.9
251.10347	43.6
251.14915	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	252.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14529	0.8
60.89402	0.8
61.35591	0.7
66.81857	0.7
69.11707	6.9
79.95747	100.0
88.74540	0.8
98.22478	1.5
118.67686	0.8
126.12943	0.8
143.89891	0.8
180.34479	0.7
188.11208	9.2
252.07365	33.9
252.10020	1.9
252.15234	1.0
253.07602	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	252.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38423	1.2
59.01360	1.9
59.75968	1.1
66.67216	1.4
69.69148	2.7
69.69559	5.1
72.93815	1.1
83.45061	1.1
85.67381	1.2
93.03463	1.3
112.07645	1.5
112.55610	1.2
114.05610	1.8
116.07174	8.9
126.05653	1.4
133.02953	2.3
135.04503	3.0
137.06165	1.4
142.05237	1.6
161.02428	4.3
162.02673	2.1
167.11867	3.8
181.13475	3.6
211.10881	4.1
225.12439	47.0
226.12785	1.5
252.07111	2.9
252.13516	100.0
253.14209	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	253.0509
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.49889	0.9
59.02764	0.8
61.98820	0.9
63.02403	8.7
63.14369	0.9
65.00327	4.4
70.57269	2.6
100.29199	0.8
107.01381	3.8
119.05006	2.1
132.29587	0.8
143.05025	5.5
145.02968	3.0
146.32042	1.0
151.00443	1.1
152.91711	1.2
161.16617	0.8
165.07037	1.5
165.12871	1.0
170.88329	2.1
181.06560	1.4
185.06149	1.3
209.06128	3.2
209.15456	1.7
217.84978	1.3
253.05084	100.0
253.14368	1.9
254.05400	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	253.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
64.39608	0.9
65.03944	0.8
66.98844	1.0
69.03463	0.8
71.01385	2.1
71.32396	1.3
72.00915	0.8
72.99299	1.0
74.02473	2.7
81.03452	1.0
89.02469	2.3
91.04026	2.0
93.03471	12.7
96.96015	1.0
104.03559	5.8
105.03345	1.1
105.03947	1.5
107.05065	1.5
108.02182	18.5
109.02962	20.1
109.06579	1.4
111.11133	0.8
117.03470	2.6
119.05036	9.5
121.02988	3.7
122.03738	1.6
123.04530	1.2
123.08154	1.7
129.03491	1.8
130.04250	1.9
131.05009	3.2
132.02222	1.5
133.01915	1.6
133.02969	46.8
134.03806	5.7
135.04539	60.2
137.02473	2.8
138.06888	5.9
139.07663	2.8
143.05045	5.8
145.02953	5.3
145.06621	0.9
146.03738	12.5
147.04532	23.7
147.08311	1.0
149.09753	3.0
151.07729	4.8
151.08740	1.2
152.08429	2.0
153.09186	5.9
159.04488	4.6
161.02460	100.0
162.02817	3.0
169.69467	0.9
171.04536	1.0
173.09709	2.6
178.02707	1.4
179.03537	16.6
182.07367	1.3
183.08160	1.5
191.10788	12.2
193.06480	1.1
197.09814	1.2
207.08122	1.8
209.06059	3.3
209.09892	1.3
209.11734	1.6
210.06813	1.5
211.07675	3.2
223.07686	3.9
225.09239	2.5
233.06136	1.3
234.06844	2.9
235.07695	6.1
235.09723	0.9
236.08376	2.7
237.05789	1.7
238.06332	8.1
251.07181	7.3
252.07860	4.2
253.07181	71.6
253.09038	27.6
254.07237	2.0
254.09416	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	253.0873
Annotation	3,7-Dimethoxy-5-hydroxyphenanthrene
Peak:m/z	Relative Intensity
57.74597	0.8
59.01390	1.5
65.03963	1.4
69.32065	2.9
69.32497	2.7
76.05429	0.7
78.22876	0.7
81.03461	0.9
93.03473	20.8
95.33218	0.7
96.74244	0.7
96.96069	0.8
98.53232	0.8
103.05553	1.0
105.03474	2.2
107.05061	1.6
108.02183	36.8
109.02970	43.5
117.03488	3.5
119.05042	18.1
121.02956	2.7
123.04543	0.9
123.70268	0.7
129.03462	1.4
130.04271	1.8
131.05031	3.8
133.02966	11.6
135.04532	3.4
137.56461	0.8
143.05055	9.6
145.02943	5.3
145.06615	0.9
146.03743	12.7
147.04535	24.2
149.09697	4.1
153.34979	0.8
159.04514	8.5
161.02483	3.2
164.79582	0.6
165.12816	1.0
169.06590	0.8
181.06627	1.2
182.07420	2.6
183.08176	3.5
193.06586	1.2
195.08165	1.4
196.05360	1.3
197.09729	2.5
200.90843	0.7
206.07414	1.6
207.08185	4.3
209.06123	3.9
209.09641	1.5
210.06851	3.3
211.07648	8.3
221.06142	1.1
223.07692	6.9
225.05630	1.4
225.09181	7.3
234.06850	4.2
235.07649	8.9
236.08395	2.5
237.05583	3.7
238.06367	8.7
251.07155	10.5
252.07806	4.9
253.08748	100.0
254.09019	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01875	2.2
55.37101	1.8
58.00591	4.3
59.01384	100.0
71.01387	70.3
72.99305	6.9
73.02953	9.4
79.71600	2.1
83.01395	9.3
85.02953	13.9
87.00887	11.3
89.02450	66.5
91.03999	3.9
95.01385	6.4
97.02997	4.0
98.21773	3.8
99.00867	2.5
101.02448	74.3
101.03120	4.0
101.30147	2.0
113.02455	36.2
113.03175	3.5
119.03519	18.4
121.02931	2.8
125.02454	2.1
129.94763	2.1
130.90268	1.9
131.03497	4.2
143.03497	6.4
149.04572	2.8
161.04562	30.7
179.05630	11.6
253.09299	86.4
253.18068	4.2
254.09503	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.7
58.00590	5.3
59.01383	100.0
71.01387	77.2
71.32713	3.4
72.99295	5.0
73.02934	9.1
75.86488	2.6
81.50690	2.8
83.01403	9.5
83.71429	2.3
85.02950	20.4
87.00867	7.2
89.02454	68.1
91.04011	4.5
95.01402	6.5
99.00863	3.9
101.02451	80.3
113.02464	34.8
119.03518	19.5
125.02489	3.3
131.03484	4.4
143.03499	7.8
151.60548	2.4
161.04564	23.5
163.93074	3.0
179.05638	11.4
253.09291	82.3
253.14433	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	253.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65998	4.0
50.76047	3.7
58.37548	3.5
59.01384	91.9
69.93009	17.8
70.29445	4.2
71.01392	72.7
72.99308	66.4
73.02959	10.6
78.95918	41.7
81.04583	4.4
83.01381	6.2
83.10439	4.2
85.02966	13.2
87.00899	8.7
89.02464	42.2
93.03484	6.5
96.96020	6.1
98.22422	6.5
99.00912	5.4
101.00951	5.7
101.02455	67.3
110.07259	14.0
112.98576	13.8
113.02457	24.9
115.00405	8.8
115.08828	5.8
116.07190	12.4
117.00443	15.7
119.03505	10.2
120.95451	21.7
125.02464	7.0
129.00465	11.8
133.01443	11.1
136.94028	25.6
136.94995	17.5
136.98581	75.9
137.02464	4.0
143.03548	6.5
152.95963	13.1
154.06247	4.9
154.91762	4.5
154.98438	7.4
154.99626	100.0
155.08287	5.7
159.01529	27.2
161.04620	27.9
162.96484	7.8
164.94405	4.0
170.97052	17.5
172.99469	19.9
178.94922	6.7
178.96240	6.1
179.05615	6.5
192.92677	5.8
192.93965	18.5
193.01472	6.3
206.95494	4.9
210.95023	15.0
234.95084	5.9
252.95959	29.5
253.03493	6.5
253.09277	70.4
253.13042	22.6
253.21718	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	253.093
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
53.35987	2.1
53.80700	1.9
55.01878	5.0
57.03451	2.0
58.00593	5.7
59.01384	100.0
63.02390	2.1
63.42896	1.8
66.46828	1.9
69.75063	4.1
69.75475	6.0
71.00983	3.4
71.01386	70.3
72.99314	26.5
73.02956	10.1
78.95912	3.3
81.04575	5.2
81.27508	2.0
83.01399	9.2
85.02956	17.8
87.00883	8.1
89.02451	59.6
91.04055	1.7
93.03445	14.4
95.01372	3.1
97.02962	2.7
99.00872	2.7
99.04504	2.5
101.02453	64.3
109.02963	2.1
110.07235	6.0
112.98603	2.8
113.02458	29.4
115.08791	2.2
116.07163	4.6
119.03539	14.9
121.02964	5.5
124.04100	2.0
129.01938	2.2
131.03505	3.9
132.78368	1.7
135.00868	5.9
136.98578	28.9
141.01900	1.8
143.03513	6.4
149.02473	7.8
151.85188	1.6
154.99640	33.6
159.01498	1.9
161.04582	31.2
163.02505	2.4
165.01869	1.8
170.97047	2.9
171.82674	2.1
172.99492	2.2
179.05643	10.7
189.26357	1.9
193.01431	30.1
209.14070	3.4
223.74913	1.9
252.95943	3.9
253.03598	15.3
253.09315	68.7
253.13101	9.1
254.09589	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	253.0928
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.49703	1.8
55.01876	3.3
58.00589	4.0
59.01383	100.0
69.06171	15.0
71.01388	54.6
72.99314	7.2
73.02962	8.1
73.67385	1.7
78.95917	3.2
80.96545	2.7
83.01403	5.2
85.02959	10.2
87.00892	6.1
89.02456	49.1
91.04012	2.4
93.03455	1.9
95.01398	2.9
97.02971	2.7
99.00903	2.1
99.04556	1.9
101.02449	49.2
113.02460	22.3
119.03531	12.1
125.02470	3.3
136.98598	3.3
142.37518	1.9
143.03487	4.1
154.97514	14.8
154.99619	3.8
161.04564	22.8
165.05551	2.5
179.05617	8.1
249.53500	2.2
251.20177	1.8
253.03777	1.9
253.09312	53.8
268.51959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
70.55051	2.9
73.81689	1.1
82.68202	1.1
82.84315	1.0
85.07500	1.3
116.92896	2.3
235.30540	1.1
253.21741	100.0
254.22101	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	253.2176
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
51.91328	19.0
55.49554	18.8
56.73762	21.3
69.76642	100.0
98.21774	45.4
116.92856	42.0
179.58810	25.7
210.03282	21.1
253.21436	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88613	0.8
59.01382	10.0
65.76411	0.8
66.83297	0.9
70.52984	2.0
72.00907	1.8
74.02470	1.5
78.95878	3.0
81.04565	1.0
81.18787	0.9
83.06149	7.1
83.99407	1.0
99.98879	3.3
108.05650	1.3
110.07226	3.7
111.00845	1.2
114.05590	1.3
117.00451	7.1
126.00441	2.7
126.98913	0.9
128.07152	2.1
129.06696	1.4
130.08762	7.9
131.08281	18.1
141.01587	2.0
143.01984	1.3
150.05226	5.6
153.99939	3.1
154.01086	1.2
154.99434	1.3
156.07806	1.0
157.00983	1.5
157.03558	2.0
159.01511	5.4
162.27956	0.9
168.99844	1.8
172.01028	23.2
172.03329	1.0
173.01102	1.3
173.10443	12.2
174.02606	1.1
178.04558	1.2
183.01511	6.1
183.06242	1.2
185.03004	3.2
189.21600	1.0
192.02679	4.5
192.06187	2.3
194.07753	3.0
194.93837	1.7
196.05785	26.6
197.05847	1.2
198.25211	1.0
199.04489	0.9
200.04066	1.0
211.01056	4.8
211.05695	5.8
211.08177	2.1
213.07329	10.6
214.05682	2.1
219.98241	1.1
224.07277	0.9
228.07187	3.5
230.08852	11.5
231.08357	8.4
232.08420	1.0
238.06842	84.4
239.07059	5.9
255.08318	100.0
255.23303	52.1
256.08463	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	255.0889
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
52.00035	0.5
55.80846	0.4
64.48459	0.4
69.20631	0.4
71.13512	0.9
78.25364	0.4
93.03400	1.4
97.06525	0.5
108.02117	1.5
109.02964	9.5
121.02850	0.7
122.03702	0.8
130.08662	0.9
133.06531	1.8
135.04500	0.5
144.08136	0.8
153.09077	0.5
167.10634	0.5
184.08676	1.0
196.07484	0.8
197.05954	6.1
197.68201	0.4
204.44380	0.4
211.09729	0.8
212.08308	7.8
225.22368	0.4
226.06244	0.8
229.04753	1.3
237.11214	0.6
239.07091	0.9
240.06517	15.8
241.06824	0.6
253.08508	0.7
255.08688	100.0
255.23302	8.5
256.08997	3.8
272.05588	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	255.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41449	0.5
59.01379	11.3
59.98956	0.5
62.79913	0.5
71.00162	1.2
71.16826	0.5
72.00901	1.2
72.99304	1.0
74.02460	1.0
74.99368	1.1
78.95909	5.1
81.04567	1.6
83.05023	2.0
83.06154	9.0
83.99405	0.7
97.99722	0.6
99.98889	0.7
108.00529	1.1
108.05694	2.3
110.07235	2.6
111.00877	0.9
114.05582	0.7
115.02535	0.6
117.00452	6.3
124.00027	0.5
126.00481	3.8
129.05511	0.6
129.06706	1.3
129.99963	0.6
131.08275	29.2
140.01987	0.7
141.00545	0.9
141.01590	1.9
141.04182	0.6
141.05219	1.7
142.22270	0.5
143.01976	1.1
145.09810	0.7
150.01637	1.5
150.05237	9.8
152.91725	1.5
153.99962	2.5
154.01134	1.3
154.06195	1.2
156.07808	1.3
157.03583	1.2
159.01489	7.1
165.05196	0.8
167.09372	0.7
167.90517	0.5
168.99931	0.8
169.03555	1.5
172.01033	30.1
173.01183	0.9
173.10432	14.7
173.11879	1.0
178.04701	1.5
182.03072	1.1
183.01497	4.8
183.06248	1.7
185.03096	3.7
185.06683	1.4
192.02704	4.5
192.06323	3.4
192.99988	0.6
194.07881	4.9
194.92610	0.8
194.94072	0.6
196.05783	34.8
197.05971	1.2
199.04662	1.2
200.04202	1.4
208.05769	1.3
211.01038	2.9
211.04427	7.6
211.08409	1.2
212.04491	0.8
212.08942	1.2
213.07265	1.9
214.05757	3.5
220.05742	0.6
228.07234	0.8
230.08832	1.4
231.08354	9.8
232.08569	0.6
236.98985	0.7
238.06844	100.0
239.07011	6.4
254.99725	0.9
255.03604	3.7
255.09549	10.8
255.23308	42.3
256.10254	0.6
256.13034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1965
Annotation	Lyngbic acid
Peak:m/z	Relative Intensity
55.24196	0.9
57.03182	0.9
57.03455	12.5
59.01383	60.3
60.01727	1.0
71.01392	10.2
71.33137	1.3
123.43187	0.9
183.17543	29.1
184.17867	1.3
195.17552	2.5
209.19159	1.1
211.20685	2.4
216.42148	0.8
219.84602	2.6
237.18594	3.5
255.19669	100.0
255.23228	5.9
256.20081	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	256.192
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
56.89221	0.3
62.05083	0.2
69.12064	0.3
69.18919	0.3
71.32750	0.3
125.02447	0.4
130.08766	3.0
137.51321	0.3
143.11900	1.0
182.15604	0.3
185.21346	0.3
190.16049	0.3
210.18555	0.3
212.12906	0.5
213.11292	0.3
238.07800	0.4
238.18060	0.8
256.19174	100.0
257.19513	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	257.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16474	2.5
69.13908	21.5
69.14330	7.5
74.02476	95.5
74.47309	2.8
84.59946	3.0
95.05038	4.8
97.04111	4.4
97.06611	8.7
98.14075	2.8
109.04090	7.5
110.09753	23.1
111.05647	24.5
122.09758	8.9
138.04346	4.2
150.09212	4.9
164.09593	6.2
167.11871	4.2
179.11908	100.0
206.39946	3.1
211.10902	31.6
213.12973	3.4
218.74765	3.0
223.10938	30.3
257.09631	9.4
257.13858	12.8
257.17474	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	258.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24476	0.7
53.51870	0.5
59.01385	8.2
61.98829	3.6
63.59090	0.6
70.92914	1.0
70.93266	0.7
72.00919	3.0
72.99329	1.0
73.04091	0.7
74.02487	1.7
74.99377	2.0
77.46224	0.6
78.95909	9.5
82.02957	0.7
82.06625	1.8
83.06158	0.7
84.04572	1.0
85.81986	0.7
88.04041	8.9
96.96967	7.7
101.07222	0.7
102.05627	3.8
102.98915	0.8
112.07712	1.1
113.03502	0.6
114.05640	0.8
114.09316	0.8
116.07217	1.4
117.00456	9.4
118.00599	0.6
126.00469	1.1
127.05162	4.0
127.08746	0.7
128.03554	8.2
128.07175	10.0
129.10361	10.9
130.08749	100.0
131.09099	1.4
135.71057	0.7
141.10378	0.6
142.42767	0.6
143.11870	0.7
144.11455	0.7
145.06288	0.7
145.09813	2.3
154.12375	0.8
165.41402	0.6
167.04657	1.1
168.01508	0.9
168.05121	2.7
169.09915	1.5
171.15039	3.9
172.00993	3.9
173.01073	0.7
174.02563	1.5
188.07846	3.0
196.14586	5.3
197.12984	1.1
201.70407	0.6
210.06206	2.8
212.07845	2.1
214.05745	1.6
214.15627	1.2
214.19243	7.2
215.14014	5.8
216.07274	5.4
217.07115	0.8
228.07275	17.2
229.07474	1.0
230.08842	68.6
231.09047	5.1
233.09068	0.7
237.99538	0.7
240.13464	4.1
241.07104	1.0
241.11937	6.1
256.06647	0.8
257.95801	0.8
258.08334	70.6
258.14603	13.7
258.18216	27.1
259.02249	2.0
259.08197	6.5
259.12912	12.3
259.15417	1.0
259.18512	0.9
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
58.02992	3.8
59.01380	8.0
61.98824	6.7
65.02509	3.2
70.02977	7.7
70.89694	3.9
71.30584	6.3
71.30955	3.1
74.02477	15.9
78.95907	29.9
87.05645	13.3
88.04046	41.3
96.96974	19.4
101.07202	11.3
101.60271	3.0
110.92589	3.2
130.08745	55.9
141.10336	4.3
143.11923	8.3
145.09866	5.1
165.93100	4.4
169.09831	8.0
171.15051	4.6
183.11502	3.6
196.14532	5.8
197.12979	12.6
214.15631	11.1
214.19290	8.7
241.11917	10.0
257.99420	6.3
258.14584	100.0
258.17685	25.3
259.02216	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	258.146
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
58.02959	1.1
59.01374	1.7
64.01318	0.7
70.65769	2.4
71.02508	1.3
74.02470	2.3
81.58974	0.8
82.02986	2.1
82.06621	3.0
82.18912	0.7
83.06159	5.3
84.04565	2.6
84.08180	0.8
85.49437	0.8
87.05645	1.9
88.04048	51.5
97.07728	1.7
98.02486	0.9
101.07213	3.6
102.05626	2.1
109.04092	2.7
112.07669	4.9
113.03525	0.7
114.09245	0.9
115.08779	4.0
116.07213	1.0
117.00439	1.1
126.09235	1.3
127.05151	29.4
127.06105	1.7
127.08713	0.7
128.03551	10.3
128.07216	1.0
129.10353	50.6
130.08751	37.7
131.09085	0.8
139.08812	2.3
141.06738	0.7
141.10371	3.1
142.28563	0.8
143.11914	3.5
144.11450	1.1
145.06207	9.6
145.09859	5.0
155.11877	3.8
169.09824	5.8
169.13455	1.4
171.15041	2.5
179.11855	1.0
187.10966	0.8
196.14569	45.6
197.12982	2.5
197.14870	1.8
197.16643	1.6
214.15634	11.7
214.19237	13.7
215.13977	1.6
216.07257	0.9
222.12535	5.2
228.07265	3.0
230.08856	8.9
231.09181	1.0
240.13539	31.9
241.11932	3.1
258.08554	8.2
258.14587	100.0
258.18207	51.3
259.08234	1.7
259.12720	6.0
259.15305	1.7
259.18625	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	258.1712
Annotation	L-Hexanoylcarnitine
Peak:m/z	Relative Intensity
51.64126	0.6
57.03443	2.9
59.01388	39.2
65.50449	0.7
70.74698	2.0
71.01388	18.6
73.04077	12.1
81.03434	0.8
83.05019	2.3
99.08182	1.4
111.08188	0.8
128.42508	0.7
129.09302	0.9
130.08755	1.4
152.07173	1.3
169.09798	0.9
182.13011	3.4
184.13423	1.1
186.14975	8.3
198.14954	1.6
226.12047	2.7
240.16081	6.6
246.10677	0.7
258.17105	100.0
259.17307	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	258.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97099	0.4
56.97376	0.4
58.02979	0.4
59.01387	1.9
59.59015	0.4
69.57360	2.3
70.02988	0.4
71.01404	0.6
71.80961	0.3
72.00900	0.5
72.99329	0.4
73.04072	0.5
74.02460	0.6
76.05104	0.3
78.95908	3.1
82.02983	1.4
82.06625	1.5
83.06142	1.5
84.04534	1.3
85.30836	0.4
88.04046	5.3
95.06174	0.3
96.96980	2.2
97.07713	1.7
98.02468	0.5
98.21929	0.6
99.00887	0.6
99.09304	0.7
101.07233	0.6
102.05614	0.5
109.04096	0.9
112.07691	1.1
113.03579	0.9
113.06033	0.4
114.05592	0.5
114.09250	0.9
115.08784	1.2
116.07189	9.3
117.00452	0.6
124.05016	0.4
127.05147	7.0
127.08786	1.3
128.03555	2.8
129.10355	14.7
129.11325	0.7
130.08749	46.2
131.09093	0.4
141.06662	0.7
141.10342	1.6
143.08278	0.5
143.11880	0.8
144.11421	3.5
145.06175	2.2
145.09827	7.3
152.07158	0.5
155.11882	0.9
157.13510	0.7
169.09900	0.8
171.15048	0.8
195.95723	0.4
196.14561	9.9
197.12946	2.3
197.16574	2.3
214.15619	1.7
214.19260	26.1
215.14049	0.5
215.19562	0.9
216.07217	0.6
222.12399	1.3
230.08875	0.6
236.25467	0.4
240.13541	5.3
241.11894	4.1
258.08591	3.7
258.14636	16.6
258.18210	100.0
259.02042	0.5
259.12897	3.1
259.15695	0.7
259.18549	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	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04666	0.4
60.42825	0.4
69.87080	1.8
71.01384	0.9
73.04047	0.3
75.86761	0.3
78.95908	100.0
87.92536	0.7
91.47374	0.4
96.00917	0.4
96.96967	75.4
98.21786	0.4
101.02430	0.4
103.92033	0.5
111.33242	0.4
112.78702	0.4
116.07196	0.9
117.07520	0.6
128.03552	1.1
129.10362	0.6
130.08746	3.9
138.98019	3.6
141.34192	0.4
145.96745	0.4
146.04588	0.5
168.99046	1.2
171.14969	0.6
199.00151	2.2
199.94044	0.5
200.12108	0.4
215.13904	1.1
241.01215	1.0
241.11935	1.2
258.92395	0.7
259.02225	25.1
259.12979	2.6
260.02429	0.6
260.18539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0227
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
59.01391	0.3
70.39445	0.3
71.00031	0.4
71.01393	0.7
73.02914	0.2
75.18023	0.2
77.30699	0.2
78.38252	0.2
78.95910	100.0
80.96495	0.2
87.05662	0.2
96.96969	75.1
101.02482	0.5
109.85740	0.2
137.17291	0.2
138.96997	0.4
138.98032	4.9
144.40887	0.3
150.98055	0.3
156.91019	0.6
168.99066	2.1
178.96101	1.7
187.00970	0.4
196.92802	0.5
198.90466	0.9
198.92165	0.8
199.00185	2.3
205.34105	0.2
213.05135	0.3
214.93726	0.4
216.90642	9.4
217.90785	0.4
234.91724	0.7
238.90178	0.2
240.91588	0.9
241.01112	1.5
245.12280	0.3
245.42830	0.2
258.40182	0.2
258.87552	0.4
258.91806	3.7
259.02240	27.9
259.40500	0.2
259.92044	0.3
260.02634	0.7
260.72711	0.2
276.88522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1089
Annotation	Maculosin
Peak:m/z	Relative Intensity
50.29133	0.6
55.84374	0.5
58.12173	0.6
59.01391	1.2
68.55028	0.5
69.03455	1.1
71.32829	0.9
79.60358	0.6
87.74223	0.6
91.45446	0.6
96.96027	0.7
106.03011	0.9
108.04578	2.8
108.97029	0.6
111.46117	0.6
113.36932	0.6
122.02518	3.8
136.04071	1.4
136.07693	8.5
145.61652	0.5
152.07201	1.3
161.07202	4.6
162.07866	0.9
171.10283	0.8
172.09937	0.8
173.08464	0.8
186.09282	1.0
188.10846	8.0
199.08800	1.0
200.09575	2.8
201.06638	8.5
201.08264	0.9
202.07510	6.4
203.11955	0.9
213.10323	0.8
214.03908	1.2
215.04636	2.3
215.08281	2.7
215.11893	9.0
216.08809	13.5
216.10748	1.3
217.09457	1.0
226.07455	2.0
229.06190	6.2
230.06917	1.5
230.10590	1.5
231.11382	85.6
232.11697	3.1
241.09822	11.7
243.07707	0.7
244.08524	5.0
259.10873	100.0
260.11301	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	259.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44929	1.3
58.02965	1.3
69.25427	2.6
69.25834	5.3
74.02481	100.0
78.65837	1.1
84.29914	1.0
98.99419	1.0
110.09762	2.1
111.05664	8.6
112.11363	1.5
121.33354	1.1
124.11353	6.1
140.10852	1.3
153.13997	3.1
169.13486	3.0
179.11899	1.3
181.13480	67.5
182.13788	1.7
213.12466	35.9
220.84489	3.6
221.84251	19.8
222.84235	6.9
223.83984	9.9
225.12466	83.9
226.12784	2.8
259.11255	6.7
275.26270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	0.8
59.01397	2.3
60.49811	0.6
68.35966	0.6
70.03008	0.8
71.01397	1.3
71.30917	1.2
74.02483	2.8
78.95908	19.0
78.96339	1.1
80.39061	0.6
81.92781	0.7
82.02999	5.2
82.06621	1.1
83.43184	0.6
83.55466	0.6
84.04573	2.7
88.04037	1.0
93.49825	0.6
96.23876	0.6
96.96973	14.2
98.02499	1.0
100.04053	1.8
101.07214	1.5
102.05632	3.8
112.98845	0.7
116.07162	1.1
127.05122	2.5
128.03551	18.5
129.10355	7.3
130.08751	100.0
131.08244	1.0
131.09094	3.0
140.07227	0.8
141.10356	4.4
143.11974	0.9
146.04634	0.8
154.12387	2.3
156.80783	0.6
167.08191	1.4
169.13466	1.3
171.15045	11.3
172.04445	0.8
180.10310	2.2
187.10880	1.0
197.12978	19.8
197.14799	1.6
198.13219	0.7
215.10371	2.5
215.14006	8.3
241.11943	39.5
242.12231	0.9
259.02292	4.9
259.12933	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
66.03526	1.2
70.03005	0.8
70.48327	1.9
71.01400	1.0
72.00937	1.0
72.99324	2.8
73.04095	0.8
74.02509	3.2
78.95920	4.0
82.03008	2.1
82.06628	3.8
84.04543	3.9
84.08228	1.1
85.02959	1.1
86.06125	1.1
88.04050	3.7
89.04414	1.4
96.96995	2.9
97.01672	0.9
100.04085	1.7
101.02496	0.8
102.05622	17.9
112.07716	2.7
114.01965	0.8
116.07254	1.4
117.00468	0.9
118.00581	1.1
127.05168	1.5
128.03560	37.9
128.07228	1.8
129.03903	0.9
129.10364	18.8
130.08759	100.0
130.96646	0.9
131.08337	0.8
131.09126	5.8
135.04503	0.7
141.10381	1.0
145.09900	1.3
146.04607	3.3
148.97664	1.3
154.12390	5.3
155.11916	1.0
157.09499	0.8
158.71948	0.7
169.13528	0.9
171.13672	1.1
171.15050	16.4
179.11862	1.3
187.10852	0.8
197.12956	9.0
197.14781	2.0
213.08168	0.8
215.10602	1.1
215.14018	22.9
215.16029	1.5
215.19571	2.1
217.06798	1.0
229.07478	2.7
231.09044	9.1
232.08603	2.1
241.11943	29.2
241.13849	1.1
259.02133	1.8
259.08517	15.6
259.12915	56.8
259.18539	9.7
260.04715	1.4
260.08023	2.4
260.13211	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	260.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04224	0.3
57.03436	0.5
59.01376	1.3
70.06615	0.6
70.49430	0.3
70.92876	0.5
70.93217	0.6
71.01379	0.5
71.05031	3.8
73.04066	1.8
74.02467	1.1
82.25768	0.3
83.05044	1.1
84.04559	0.6
85.06594	3.2
87.04503	1.0
87.05659	0.5
90.67490	0.3
99.08165	0.6
100.07687	0.5
114.04007	0.4
123.36178	0.3
127.11308	5.1
128.43443	0.4
131.04630	1.2
142.12352	0.5
155.10780	1.0
157.12344	0.8
172.04326	0.4
186.15056	0.5
194.19933	0.4
196.17090	1.7
203.08389	0.5
214.18089	1.4
221.84290	2.9
223.83980	2.1
240.15968	0.4
242.17642	12.5
243.18010	0.6
258.17062	2.5
260.10358	1.3
260.18674	100.0
261.19031	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	261.0439
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
50.66746	0.3
57.36810	0.3
59.01372	0.9
63.96235	0.6
71.05024	0.5
71.13829	0.7
79.95743	32.0
80.96523	14.4
95.05016	0.6
96.96019	3.0
111.04523	0.6
116.23446	0.3
122.39142	0.3
125.09713	0.3
135.08153	0.5
137.09746	3.0
149.06081	0.8
149.64055	0.3
152.50571	0.3
155.90193	0.4
162.05594	0.4
172.99155	6.9
173.99800	0.6
181.08720	10.5
182.09070	0.5
187.09747	0.3
188.01501	5.8
189.02219	0.5
201.02312	0.4
217.05428	4.4
224.86111	0.3
228.43497	0.4
243.03319	8.1
246.02089	0.6
261.04388	100.0
262.04718	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	261.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63393	0.7
59.01381	2.2
68.37492	0.7
68.86848	0.6
71.33986	1.0
79.95754	3.5
80.96525	100.0
117.12292	0.8
129.74567	0.7
141.09227	0.8
150.57912	0.6
196.60641	0.8
261.08038	38.4
262.08322	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	261.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01381	0.3
59.11886	0.1
68.34736	0.2
69.39880	1.0
70.38216	0.2
71.01376	0.2
77.22592	0.2
79.95742	1.6
83.01412	0.2
83.44423	0.2
96.96018	100.0
97.06604	0.4
102.97522	0.2
123.08172	0.2
125.09722	3.3
133.06670	0.2
147.08163	0.5
151.11278	1.1
164.71989	0.2
187.09749	2.2
217.16029	0.5
254.45937	0.2
261.08020	15.7
261.13144	0.5
261.22479	0.2
262.08423	0.6
276.44342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71871	3.0
59.01378	12.2
70.02961	9.6
70.72377	6.8
72.04524	4.5
74.02478	100.0
91.05548	4.9
98.02486	24.2
103.92014	4.6
114.05626	40.0
116.03549	48.4
121.69234	3.1
128.03525	4.5
132.04568	34.1
144.04651	3.4
187.58372	2.7
201.06717	11.3
222.84087	4.4
261.08945	20.1
261.12439	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
59.01377	0.8
61.98838	0.3
70.08228	0.4
70.08583	0.4
72.51650	0.2
91.05489	0.3
92.40417	0.2
93.03484	0.3
103.01498	0.3
106.04234	0.6
107.05042	1.0
109.03004	0.2
111.00896	0.2
117.03455	0.4
118.94209	0.3
121.02943	0.9
125.09733	0.2
132.02135	0.4
133.02963	18.0
134.03764	8.5
134.89470	0.2
135.04532	100.0
136.04868	2.2
137.01456	0.3
137.02454	4.0
139.04022	1.4
147.04553	0.3
148.05313	1.7
150.03224	0.4
161.02452	28.0
162.02829	0.6
163.03992	0.3
178.02736	0.9
179.03503	49.9
180.03828	1.6
197.90201	0.4
204.38208	0.2
223.83960	0.4
260.87363	0.3
261.11316	93.7
262.08820	0.3
262.11661	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1133
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
50.25944	1.3
59.01382	10.5
61.98838	3.7
71.32919	2.4
93.03478	1.6
96.33823	1.4
103.01510	4.2
106.04243	3.1
107.05108	1.5
107.97848	1.4
109.02962	1.6
116.92847	2.0
118.94189	2.9
121.03018	4.9
128.59782	1.6
133.02972	22.1
134.03755	43.0
134.89465	1.7
135.04527	16.3
137.02451	40.4
139.04044	15.3
149.02496	2.3
150.03207	5.4
160.08936	4.9
161.02469	4.8
174.06860	3.5
178.02711	22.6
179.03528	17.3
183.52609	1.4
192.95940	1.6
197.90331	2.2
217.12431	2.1
222.84149	2.2
223.83810	1.8
235.16991	12.1
247.04170	1.6
260.87088	1.6
261.11319	100.0
261.14337	3.3
262.11691	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	261.1248
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
59.01376	3.1
62.02955	1.1
65.01317	1.1
70.81975	2.5
70.82349	2.5
82.31135	1.1
91.05541	13.9
100.47128	1.0
108.92918	1.1
114.05624	97.3
118.06593	1.6
131.05055	1.6
134.89539	1.9
135.04510	4.2
146.06085	2.6
155.21275	1.1
166.63853	1.5
200.10809	1.1
222.84384	1.6
223.83900	1.4
261.12460	100.0
261.22220	1.9
262.12796	4.0
272.43085	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	261.1277
Annotation	Met Leu
Peak:m/z	Relative Intensity
59.01368	1.2
66.89585	0.4
70.02966	1.5
71.04998	0.4
71.31919	0.9
72.04536	0.6
74.02480	14.1
97.89568	0.5
98.02502	3.1
99.05649	0.5
116.03545	6.5
116.62845	0.5
117.05611	0.5
128.03549	1.2
130.08751	45.7
131.09123	0.9
132.04552	4.5
132.06717	0.9
144.04500	0.5
167.11972	0.5
169.13452	1.5
175.02603	0.6
192.62619	0.4
201.06728	1.7
213.12491	1.5
219.07837	0.5
234.82005	0.5
243.11739	0.9
261.08936	3.1
261.12784	100.0
262.13065	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	261.1345
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03449	2.8
59.01377	1.6
64.82416	0.4
69.03467	0.5
71.01367	0.4
79.95744	0.6
80.96490	0.6
83.05034	0.7
89.02449	0.5
91.04028	1.1
95.05046	0.7
97.06598	12.2
123.08166	5.2
125.09734	100.0
126.10081	3.2
143.10817	1.7
169.08711	3.7
187.09775	85.0
188.10088	3.1
243.76968	0.5
261.07895	1.4
261.13422	24.8
262.13718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85158	4.4
59.01374	12.1
69.19054	14.8
69.19468	25.7
97.06614	9.7
118.94159	6.4
125.09746	100.0
143.10812	4.8
169.08661	6.1
187.09773	87.6
261.13403	27.1
262.22418	4.6
268.13818	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	261.9416
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39001	2.1
63.66173	2.2
70.81635	2.8
71.01364	2.9
78.95902	2.5
87.92533	67.0
97.65661	2.3
103.92034	100.0
104.92814	32.4
105.93591	22.3
106.94445	2.9
119.91525	2.5
123.94651	33.7
127.95679	4.5
145.96729	41.4
147.94646	2.9
155.95219	2.2
161.96222	31.6
163.97757	6.8
169.97382	2.3
171.94699	5.2
173.96190	5.4
189.95726	9.6
199.94156	44.3
217.95233	5.7
261.22464	2.3
261.94180	39.7
281.25806	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	263.129
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
52.04525	0.3
61.98839	0.4
66.13820	0.3
69.79528	1.4
72.81255	0.3
78.50665	0.3
86.31719	0.3
89.81730	0.3
93.03481	0.6
106.04245	0.5
106.30926	0.3
107.33156	0.3
121.02964	1.0
132.02177	0.4
133.02972	18.9
134.03763	10.8
135.04536	24.9
136.04845	0.7
137.01459	0.6
137.02463	8.4
139.04030	3.5
150.03220	0.9
155.93797	0.3
160.01619	0.3
161.02460	30.8
162.02782	0.8
165.01891	0.5
178.02713	1.6
179.03511	10.4
180.03790	0.5
263.12897	100.0
264.13251	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	263.1292
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
55.02913	1.8
57.03228	2.3
57.03459	33.0
59.01383	6.1
60.24800	2.0
63.75309	2.2
64.94414	1.7
65.35645	1.6
67.01894	3.0
71.33009	2.4
72.87206	1.8
74.67830	1.8
83.05032	22.0
93.03458	4.5
96.96120	1.9
106.04263	2.9
107.05042	6.5
109.06635	4.4
111.00178	4.0
111.00901	59.9
112.01700	19.9
126.90524	2.5
133.10191	2.5
135.04590	3.1
135.08162	2.4
146.07402	6.4
147.06839	2.5
149.06107	2.4
149.09749	18.1
150.06873	5.5
151.11301	48.3
152.11490	2.0
159.11853	5.1
161.09697	7.4
164.68959	1.8
175.07713	2.6
175.11282	2.6
177.09312	2.1
177.12866	17.0
178.06325	5.5
186.24332	2.0
188.74574	1.9
193.08731	8.7
201.12871	100.0
202.13243	4.5
203.10826	2.5
205.08704	3.1
219.13905	15.8
221.11803	2.6
245.11777	12.1
263.12878	13.5
263.16550	1.9
264.16174	2.6
269.96939	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	263.129
Annotation	Parthemollin
Peak:m/z	Relative Intensity
57.03452	100.0
59.01379	17.7
65.05135	3.3
69.15432	2.6
69.70023	4.3
69.70421	14.8
72.96227	2.6
77.39050	2.5
80.61366	2.7
81.03447	4.4
83.01388	7.8
83.05029	36.7
87.06502	2.7
95.01414	17.4
97.06633	2.9
98.22466	3.2
99.04482	2.7
106.04282	2.6
107.05019	9.4
107.08688	5.2
109.02946	13.8
109.06562	2.8
111.04591	2.8
120.05881	2.6
121.06618	3.5
122.32461	2.6
123.08150	3.0
125.09755	5.8
135.11839	4.3
137.02438	13.3
149.09732	34.0
151.04027	36.7
151.07614	4.5
151.11278	12.0
153.05623	3.7
159.11775	6.6
160.51295	4.1
161.06078	4.4
161.09744	26.8
163.07617	7.9
174.27982	3.0
175.11227	3.5
177.12865	37.6
193.05058	4.1
194.05771	8.7
196.67218	3.7
201.12880	14.9
203.10762	3.7
204.11563	2.9
205.08675	12.3
219.10394	4.4
219.13910	60.6
220.14024	2.9
221.11845	12.5
233.22537	3.0
263.12915	55.8
263.15756	5.2
264.13159	2.8
264.15912	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	263.1291
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
71.39847	14.1
71.98285	11.9
81.35387	9.8
90.32452	9.5
97.02991	9.7
98.47717	10.0
109.02979	15.4
111.04507	10.2
113.06062	10.0
122.03754	18.4
125.06110	14.6
128.15613	9.2
134.89482	13.6
136.05341	15.6
136.89203	14.6
137.06046	14.7
138.06873	14.0
139.07649	32.5
147.06761	11.0
148.05234	10.5
151.07655	80.1
152.04802	12.9
152.08437	43.5
163.07674	11.4
188.42731	9.3
194.92793	12.2
201.12793	28.0
203.10760	27.0
204.11594	75.5
219.13939	100.0
228.71698	10.4
263.13016	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
70.15600	2.1
71.02496	0.5
79.08872	0.5
79.95737	1.0
80.96535	0.8
91.05538	5.0
95.13422	0.5
116.07189	46.4
117.07524	0.6
125.07308	0.5
127.08794	25.6
131.04977	0.6
135.04533	0.7
202.12389	4.9
263.06024	1.4
263.14035	100.0
264.14169	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	263.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51256	1.8
69.51666	2.4
72.00903	1.9
78.18147	0.6
91.05544	7.3
94.36409	0.6
98.06125	0.9
105.99080	0.6
115.08791	81.3
116.09135	1.1
120.47188	0.6
147.04541	20.5
148.04831	0.9
164.07205	11.6
198.17680	0.6
219.15022	6.2
263.14026	100.0
264.14444	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	265.1194
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
52.28183	0.8
53.57486	0.9
56.71658	0.8
59.01367	2.8
71.01375	2.8
72.00898	3.5
72.86541	0.8
73.04073	100.0
74.04385	1.0
78.15768	0.8
85.02946	1.5
91.05527	2.9
98.21716	1.6
101.02457	2.4
113.02438	1.6
119.05016	1.0
137.80264	0.9
147.04526	25.5
161.04570	0.8
164.07170	48.8
165.07495	1.9
177.10371	2.3
221.09317	88.8
222.09587	2.7
262.45993	1.0
265.11920	29.2
266.12305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
62.47005	0.2
65.01434	0.2
69.68630	0.3
69.69025	0.5
92.02551	2.1
107.03642	5.2
117.37896	0.2
134.04738	100.0
135.05170	1.5
147.03497	0.2
203.46536	0.2
211.07707	0.2
213.00854	0.3
266.06049	0.4
266.08945	8.6
267.06531	0.3
288.89630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.8
58.78069	3.1
59.01381	100.0
62.48783	3.0
71.15348	3.4
71.33045	3.9
71.33496	5.7
80.36111	3.3
81.02172	6.9
85.37824	3.2
86.02483	7.9
93.52601	3.4
94.06627	3.6
96.04562	14.5
99.00873	4.9
107.03757	18.9
108.04566	57.2
109.01722	5.6
114.05640	3.5
122.02500	15.5
122.06137	57.3
124.04047	4.1
135.11812	47.5
136.04091	4.7
166.05095	22.2
178.12410	4.5
222.14951	22.1
223.13380	42.4
239.14009	3.8
248.12921	15.5
266.08829	4.3
266.13892	16.7
267.06668	8.0
267.12360	10.2
267.16046	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	267.0665
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
53.03934	1.1
65.61833	1.1
67.18682	0.9
67.19099	1.1
68.99809	4.3
80.96528	1.1
84.51295	1.1
93.03465	2.0
98.21796	2.3
108.02169	1.2
109.02948	13.6
117.03495	3.0
121.02951	5.0
130.04204	1.3
133.02950	2.6
135.04573	1.5
141.07133	2.3
145.02995	5.9
148.17261	1.0
153.07095	2.1
155.05133	1.2
155.08670	4.4
158.03738	3.5
159.04532	8.6
165.07089	2.5
167.05042	5.5
167.08670	5.5
168.05811	2.6
169.06583	11.6
171.04474	1.5
174.42451	1.1
179.08646	1.1
180.05817	11.4
181.06560	5.0
182.03755	3.0
182.07468	1.2
183.04538	4.2
183.08179	19.8
184.08614	1.1
193.06599	19.4
194.07254	3.2
195.04518	18.3
195.08162	16.2
196.05298	23.9
197.06100	15.8
199.03699	1.1
208.05353	11.6
209.06070	20.2
210.03238	1.9
210.06854	7.5
211.04156	3.3
211.07658	61.5
212.04660	1.3
212.07997	3.0
213.05647	1.5
220.05330	3.7
221.02811	1.4
221.06087	33.5
222.06834	11.9
223.04083	9.2
223.07652	16.1
224.04790	29.3
225.05573	9.0
228.71790	1.2
234.03394	1.1
237.05568	10.5
238.06378	22.0
239.07147	79.3
240.04233	2.6
240.07530	2.9
248.04901	2.9
249.05615	19.3
250.06367	11.8
251.03601	1.3
252.04312	9.1
265.05029	3.8
266.05835	12.6
267.06631	100.0
268.07117	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	267.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15240	0.2
60.48038	0.2
63.83786	0.2
65.99859	0.4
67.03010	0.2
69.45890	1.7
71.01381	0.4
73.04079	1.7
73.94487	0.2
74.02467	0.2
80.03808	1.2
81.04586	1.7
87.10643	0.2
92.02554	5.9
93.04601	1.1
101.02458	0.2
108.02052	3.2
108.05669	1.2
108.31953	0.3
110.07256	2.5
117.65935	0.2
119.05060	0.5
126.03136	1.6
129.10336	0.6
130.08759	4.7
131.04599	0.3
132.02618	0.2
135.03151	100.0
136.03607	1.2
141.10374	0.5
149.04703	0.6
154.06232	0.6
163.03952	0.3
169.09862	0.5
177.04298	0.3
180.06703	0.6
183.08153	0.3
193.09866	0.6
201.39774	0.2
205.14594	0.3
206.13029	1.0
211.07603	0.4
221.06140	0.3
223.15637	2.4
231.97365	0.4
237.08881	1.6
239.07199	0.8
249.05701	0.3
267.07364	33.5
267.09778	1.5
267.14606	6.0
268.07648	1.0
270.90988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72326	2.4
51.82080	2.3
59.01382	52.2
63.74493	2.6
64.12691	2.9
71.01391	5.2
71.32949	4.1
73.02953	5.7
74.09908	2.6
81.03477	20.9
85.02962	3.4
86.02486	8.5
93.03458	18.1
95.01422	2.9
95.05025	2.9
96.96013	14.1
99.00900	8.4
107.05068	4.1
108.02177	5.3
109.02962	12.7
109.06626	6.3
111.00896	8.4
119.08730	4.7
121.02958	4.7
121.06586	10.8
123.04530	2.8
125.02490	5.1
129.01950	7.3
135.08157	19.7
137.06102	100.0
137.07152	5.1
138.06493	4.7
147.04512	3.6
147.08205	9.5
148.05298	3.7
149.06114	4.2
151.04066	6.7
152.09850	2.8
153.73018	3.0
161.02451	5.5
163.07675	30.0
173.06134	4.7
176.04755	8.0
179.07127	10.4
179.10825	8.8
191.07152	77.7
192.07578	4.8
193.05098	11.5
223.09818	12.4
223.13312	15.8
224.16544	21.1
235.06107	13.7
239.07097	3.8
267.06516	4.2
267.08948	10.6
267.12473	6.2
267.16095	12.0
268.15884	3.7
268.45029	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	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02110	0.8
59.01381	1.1
60.55214	0.8
69.68759	0.7
71.01395	0.9
83.05003	0.9
96.96017	6.0
98.95046	0.8
114.49743	0.8
121.36601	1.1
130.08725	4.4
132.05852	0.8
135.11809	69.2
136.12117	1.9
145.31223	0.9
146.07425	0.9
151.11314	2.0
161.08475	1.7
161.09734	22.4
163.00391	0.9
179.10783	100.0
180.11101	3.3
197.16589	1.3
205.08688	11.2
223.09761	3.1
223.13403	1.1
229.21025	0.8
241.15565	11.3
267.08844	3.6
267.12479	2.2
267.15967	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	267.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10487	7.6
56.24144	6.6
56.42548	6.6
57.03450	12.6
57.78450	7.2
59.01389	100.0
61.46378	9.9
71.32497	8.0
71.32915	10.6
74.05437	7.4
81.03461	15.6
96.96033	20.6
135.11815	16.7
148.04086	7.5
161.13304	7.6
179.10788	27.8
223.13373	36.1
267.06754	21.9
267.12482	21.0
267.16092	24.1
278.48169	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	267.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45228	0.6
54.43969	0.6
57.03447	3.0
59.01383	100.0
61.26500	0.6
63.31481	0.6
69.59769	0.6
71.05029	2.0
71.33308	0.9
74.47854	0.5
76.99209	0.6
81.03479	0.6
83.05045	2.7
85.85725	0.7
87.00903	1.7
96.96017	0.7
109.03005	1.7
109.89234	0.7
135.55978	0.5
142.20995	0.5
161.09869	0.8
161.13435	2.5
163.11316	1.6
173.39543	0.6
205.12439	1.7
207.10301	2.8
211.07648	0.7
223.13402	34.8
224.13799	1.3
234.19313	0.6
239.07083	1.1
246.15070	0.6
249.11430	0.6
250.06525	0.9
267.06546	3.5
267.12473	7.8
267.16077	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	267.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.61560	15.0
70.32855	56.2
76.16203	15.9
79.75008	14.9
90.00234	14.0
98.22463	20.0
121.02950	28.4
178.51938	16.5
183.08130	15.2
223.13464	43.8
267.16122	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99874	0.9
57.03458	5.1
59.01382	100.0
60.01718	0.9
60.15931	0.9
60.17153	0.8
70.84792	1.8
70.85123	0.8
71.05019	2.4
73.02966	1.0
83.05032	2.0
87.00872	1.2
96.96026	1.5
98.21879	1.2
99.04508	1.0
109.03035	1.0
113.25660	0.9
135.11775	1.1
161.09718	1.6
161.13368	2.2
163.11273	2.3
179.10767	1.2
183.90355	0.8
191.10721	1.4
207.10303	4.0
223.13388	35.4
224.13672	2.1
267.06631	2.0
267.12396	10.5
267.15961	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	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.74066	1.1
57.03447	3.2
59.01383	100.0
69.16005	11.0
71.01376	2.0
71.05031	2.7
76.30217	1.1
83.05001	1.5
96.95996	2.0
115.41176	1.1
161.13339	3.0
163.11322	2.0
192.66110	1.2
205.12355	1.5
207.10255	4.5
223.13403	46.4
224.13794	2.0
267.06747	2.2
267.12350	7.4
267.15942	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01388	100.0
69.26518	9.0
71.05030	2.1
83.05042	1.6
87.00874	1.5
96.96032	1.4
109.02966	1.5
130.56932	0.9
161.09767	1.4
161.13344	3.3
163.11275	1.6
179.10745	2.3
187.11281	1.6
192.56703	1.0
197.05913	1.2
207.10257	2.4
223.09926	1.8
223.13422	40.6
224.04842	1.3
224.13753	2.4
239.07161	2.3
250.06367	1.0
267.06534	5.7
267.12561	6.5
267.15948	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	268.167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09277	2.7
69.09703	2.3
82.06613	0.9
83.05024	0.9
84.08180	2.1
92.29796	0.5
98.22549	1.2
112.07660	1.9
116.07173	1.8
121.87325	0.6
128.07161	0.8
130.08745	33.2
131.09113	0.7
135.11816	1.7
136.12151	4.7
162.10036	1.2
167.97922	0.6
170.27533	0.5
176.40984	0.5
179.10837	1.7
180.11110	7.1
181.13568	1.4
197.16597	18.0
198.16867	0.7
206.08980	0.8
241.15587	100.0
242.15877	4.7
268.16684	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	268.9476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57542	0.9
59.01387	5.9
63.11157	0.8
63.19456	0.9
67.01878	1.0
71.01382	5.1
71.31099	1.1
72.99316	71.6
74.99378	2.1
78.95913	3.2
81.03452	2.0
88.16917	0.9
93.03455	3.1
95.05022	1.2
96.96020	1.0
97.02969	9.0
99.00884	1.5
107.05042	0.9
109.02968	31.4
114.98886	1.0
115.00407	4.6
117.00440	4.2
121.02935	1.3
121.06618	1.7
123.04527	1.2
125.00932	1.3
125.02437	2.9
126.98931	1.5
127.02551	2.1
128.95970	2.0
131.05057	1.0
133.01447	9.4
133.02959	2.1
135.04532	5.7
136.93130	1.2
137.06133	0.8
137.09697	2.0
144.41357	1.1
147.04561	7.0
149.02405	2.1
152.91812	1.3
152.95975	68.4
153.05502	1.1
153.96342	0.9
155.02036	1.2
155.05673	1.2
157.03563	3.4
159.01569	1.3
159.04518	9.9
163.04088	1.0
165.01892	1.1
165.05643	1.9
166.02715	1.5
170.97029	100.0
171.97386	2.0
172.99449	8.2
177.01978	1.2
181.03561	3.0
181.05067	1.7
181.08714	3.8
183.01540	7.3
184.01477	0.9
187.10864	1.1
189.85770	0.8
194.02185	2.1
197.03004	1.4
199.01036	1.4
199.04643	15.2
208.90607	0.8
208.99425	15.2
209.04541	1.8
212.94833	1.0
225.02579	13.0
227.00499	3.2
251.00531	1.6
251.07170	1.7
252.07936	1.9
254.05779	1.2
267.06583	1.3
268.94577	3.6
269.01648	6.9
269.08432	14.2
269.21350	1.0
269.24841	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	268.9475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22906	0.7
53.29559	0.6
55.91179	0.6
59.01381	2.8
60.17639	0.6
63.74591	0.8
68.99223	0.6
69.41681	4.8
71.01398	0.9
72.99318	65.5
76.36669	0.7
80.89123	0.7
128.95978	2.5
152.60561	0.7
152.95982	64.1
170.97035	100.0
171.97318	1.1
199.04654	2.9
225.02614	1.7
268.94733	2.4
269.01581	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	269.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80620	0.7
59.01370	3.2
67.01895	4.6
69.03448	1.4
69.06462	3.2
69.06883	4.2
71.01369	1.5
72.99311	0.8
74.99380	5.4
81.03445	1.3
82.99906	1.7
93.03468	4.8
95.01367	0.8
95.05059	1.1
95.21584	0.7
97.02959	36.6
98.03270	0.8
99.00896	1.2
99.92566	1.4
106.99905	1.9
108.02187	1.4
109.02962	43.6
115.92092	2.0
117.00448	2.7
119.04986	0.8
121.02954	2.9
122.03735	1.2
123.04509	2.0
125.00988	6.8
125.02448	2.4
126.86470	0.7
127.02530	9.4
131.05019	0.9
133.02971	3.5
135.04517	10.2
137.02396	1.1
137.06096	5.5
139.02525	1.7
139.03995	1.4
140.17528	0.7
141.00491	1.8
143.02014	1.9
145.02917	1.3
147.04549	3.8
149.02483	4.2
153.04150	1.4
153.05571	3.2
153.78485	0.7
155.02014	2.7
155.05653	1.5
157.03572	10.6
159.04527	13.8
165.00455	1.8
165.05580	1.8
166.02643	1.6
171.01482	1.8
177.01999	1.2
181.03543	4.7
181.05081	5.9
183.01486	31.7
184.01662	1.6
197.03032	2.7
199.04642	15.3
207.01492	5.7
208.99428	100.0
209.04539	11.9
209.99568	7.2
225.02594	14.2
226.02731	0.9
227.00475	16.0
228.00644	1.2
237.05576	1.9
251.00546	4.6
251.07193	2.4
252.08060	1.4
254.05820	2.3
267.06705	1.4
268.07404	0.9
269.01572	3.7
269.08572	18.3
270.08673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.03459	0.7
61.39718	0.5
63.02392	1.7
64.36522	0.5
65.00333	4.6
69.33886	3.9
73.02943	3.0
79.95736	0.6
83.01385	1.4
87.04515	1.5
105.03455	0.8
107.01396	6.4
109.02943	0.7
117.03476	24.4
118.03831	0.9
121.02942	1.8
127.07641	1.0
146.18512	0.5
149.02457	9.3
149.72691	0.5
151.00366	11.4
155.07143	1.2
159.04530	2.7
160.85182	0.4
169.06610	0.5
181.06625	1.8
183.04500	1.3
201.05576	2.4
223.34285	0.5
225.05580	4.6
225.14946	7.2
227.03558	1.6
241.05107	0.7
249.12384	0.6
269.04556	100.0
269.14081	2.8
269.17593	4.4
269.21149	1.2
270.04916	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97361	0.4
52.18937	0.4
56.15037	0.5
61.49102	0.4
62.34302	0.5
65.00328	2.2
67.01894	4.6
68.99828	1.1
70.49104	0.5
71.04521	0.9
85.02966	0.5
95.01416	2.7
96.99324	0.5
101.03992	1.7
111.00932	0.9
115.42198	0.5
117.03509	1.0
123.00864	1.1
124.40785	0.5
127.05479	0.7
136.98824	2.2
139.00404	2.5
141.07100	1.2
143.05080	1.0
145.06587	0.9
155.05013	1.3
166.99786	1.1
167.05064	0.7
169.06622	5.3
171.04535	9.0
171.08171	0.5
173.06087	1.4
180.05786	0.6
181.06599	1.7
185.06023	1.0
195.04524	1.3
197.06100	12.9
199.04066	3.4
201.05611	1.4
213.05597	4.4
223.04012	1.0
224.04738	1.2
225.05580	4.6
225.14998	0.6
227.03610	0.5
237.42160	0.5
239.03542	1.2
240.04288	1.7
241.05061	3.9
269.04562	100.0
269.21198	0.9
270.04871	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	269.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00362	1.5
59.01358	1.7
61.56141	1.4
62.76658	1.3
65.00327	4.5
67.01897	1.4
68.53963	1.3
73.02924	1.4
82.18658	1.5
85.49364	1.6
90.59818	1.8
90.70684	1.3
95.83187	1.5
118.54160	1.7
136.98833	4.0
139.00435	3.9
141.07080	2.4
167.05014	2.1
169.06564	5.4
171.04565	2.3
195.04515	3.2
197.06050	4.9
223.03943	2.5
223.07748	1.5
225.05702	2.5
225.14937	1.8
241.05080	4.0
251.03526	2.4
269.04562	100.0
269.17789	2.5
269.21152	3.2
270.04910	5.1
273.74475	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	269.0815
Annotation	Pacharin
Peak:m/z	Relative Intensity
57.03416	0.7
59.01381	1.2
60.18110	0.7
64.25108	0.7
64.25494	0.8
65.59873	0.8
69.27802	0.8
73.02970	0.9
75.14226	0.7
81.03471	1.2
82.44291	0.8
83.05029	1.5
85.06591	1.8
91.05527	0.8
93.03484	1.3
95.05046	0.7
96.96030	1.8
98.21771	1.2
107.05051	1.0
108.02178	1.3
109.02964	56.4
110.03328	1.1
119.05064	1.2
121.02943	5.4
123.04559	1.8
125.02464	1.0
129.03448	1.1
133.02966	2.9
134.03767	12.3
135.04544	100.0
136.04846	3.8
137.09737	1.6
145.02972	2.1
146.03812	1.7
147.04539	10.9
156.05051	0.8
159.04541	17.3
160.04813	0.7
167.33095	0.8
181.08768	1.5
199.07651	1.1
223.07672	1.1
224.94077	4.0
225.05527	1.3
225.11388	3.2
237.05582	1.6
251.07095	2.8
252.07838	1.1
253.05141	1.0
254.05920	3.6
268.07370	1.6
268.93198	2.5
269.08209	33.1
269.21219	1.6
269.24820	1.2
270.08426	2.1
270.17114	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	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
71.33382	3.2
105.18523	2.1
117.03479	2.5
144.72993	2.4
165.12819	4.3
181.12354	100.0
182.12601	3.2
207.13922	3.2
225.11311	35.4
225.14722	3.1
269.04541	7.1
269.13922	7.8
269.17548	3.1
269.21210	6.0
287.86081	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67715	35.0
59.01374	41.0
102.25764	29.8
159.41304	35.0
169.28188	35.1
181.12305	46.2
186.95602	100.0
214.86282	31.3
266.09076	31.3
269.13947	32.1
269.17319	34.2
269.21167	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2125
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
54.38575	1.1
54.57365	1.1
59.01371	1.6
61.22459	1.2
70.84416	1.4
70.84767	2.5
84.62965	1.2
127.11320	1.6
155.10802	5.1
170.88499	1.3
171.10298	5.9
172.91978	1.3
186.95645	2.8
210.21152	1.1
238.90642	1.3
251.20187	11.3
269.04431	1.6
269.21246	100.0
270.21500	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	269.9957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66385	1.1
59.01378	1.4
71.30769	2.2
93.88961	1.1
99.98261	2.7
99.98923	49.4
125.98537	1.3
126.00485	4.3
126.98243	2.2
127.98417	73.0
128.97946	5.0
130.46211	1.1
136.94075	1.3
141.99974	100.0
143.00116	3.2
157.97946	2.2
161.17920	1.1
161.38538	1.1
166.99583	1.3
167.99715	1.3
169.99472	53.3
170.98979	3.1
184.00999	5.3
199.98993	7.4
221.94066	1.2
223.99004	2.5
226.00554	3.9
227.98505	2.4
242.00085	27.6
243.00200	1.7
269.24875	1.6
269.99573	53.5
270.99503	7.4
272.85471	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	270.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.9
67.86446	1.0
69.30792	1.8
69.31192	7.7
74.31242	1.0
76.34608	1.3
94.36317	1.1
98.22556	2.4
99.51190	1.1
117.03472	27.9
121.02955	1.5
124.26982	1.2
127.44655	1.1
127.83462	1.0
132.06268	1.1
145.02960	100.0
146.03314	3.5
153.05072	1.2
162.74271	1.1
270.11304	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87523	0.4
52.49847	0.5
56.85933	0.4
57.03442	1.3
69.72438	2.6
74.53528	0.5
81.03461	8.8
83.05027	1.2
86.55495	0.4
95.05049	2.3
97.06595	24.5
99.04543	0.9
99.08156	0.9
113.09734	1.1
127.07748	0.4
134.39532	0.4
139.07655	1.5
140.07480	0.4
141.05525	1.2
150.12076	0.6
153.12851	5.1
154.08769	1.2
157.08710	19.8
172.09787	0.6
179.10779	5.9
190.95424	0.5
191.66389	0.4
195.10254	0.8
197.11839	42.4
198.12057	1.4
209.11795	1.7
235.13440	5.6
252.16045	2.9
270.17114	100.0
271.17453	5.5
289.82562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	0.7
52.16747	0.6
61.73277	0.7
98.21756	1.1
159.10968	0.6
161.35989	0.6
181.96039	0.7
252.19655	0.7
270.20749	100.0
271.21048	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	270.2078
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
64.68724	0.3
65.91124	0.3
70.66364	0.3
70.94156	0.6
83.89836	0.4
119.63673	0.3
150.48524	0.4
190.16129	0.3
196.16817	0.4
212.88098	0.3
224.20132	0.4
252.19701	1.2
268.19162	0.3
270.20758	100.0
271.21063	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.0
64.88952	1.3
70.01703	1.6
71.01383	4.4
71.05043	1.9
71.30917	1.8
71.31308	1.7
72.99319	9.2
74.02452	1.8
74.91127	1.3
75.00883	2.2
78.23695	1.7
78.95911	2.5
79.05546	6.5
81.03469	4.2
83.05031	2.8
84.20584	1.5
84.21119	1.3
85.02966	2.6
88.04073	7.7
93.03468	1.9
95.02552	1.9
95.05036	2.9
96.00952	1.6
96.96992	2.6
97.02957	4.4
99.00896	9.0
107.05042	100.0
108.02191	10.6
109.02974	34.6
109.06591	3.0
111.00904	1.6
111.04529	4.1
112.05212	2.4
114.05647	2.8
115.00350	3.9
116.07200	6.3
121.02999	3.4
122.03753	3.3
123.04556	11.2
125.02450	2.2
128.03577	2.1
131.08261	2.8
133.01427	4.0
133.02988	3.8
135.04553	20.4
139.07657	14.7
143.04620	2.3
145.09856	2.4
149.06099	19.3
151.04024	27.6
152.95993	4.5
154.95851	2.3
155.03470	1.9
156.07887	1.9
161.06094	8.6
163.07628	2.8
167.03578	2.9
170.97078	5.9
172.96855	2.4
173.10379	1.4
183.06639	38.9
185.01273	1.7
185.03137	2.8
195.03012	19.2
201.04506	1.8
201.09245	1.5
210.99141	3.0
211.07362	2.1
213.05727	2.3
227.02298	1.9
227.05626	13.3
227.09189	2.5
230.05264	4.9
233.47379	1.8
239.01950	3.5
241.05092	4.7
242.05872	25.6
255.06621	1.5
271.04910	11.0
271.09821	51.4
272.10159	4.2
272.16193	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	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.38395	0.8
56.43675	0.8
59.01365	1.6
63.02398	11.6
65.00330	17.3
69.39626	1.9
69.40038	4.5
83.01394	12.3
83.05039	0.9
93.03470	16.9
107.01398	28.1
119.05040	82.6
120.05363	1.5
121.02947	1.6
125.02444	1.5
137.02435	1.1
143.05038	1.2
145.02968	1.5
151.00381	72.7
152.00731	2.2
161.06041	2.3
165.01932	3.6
169.01453	4.4
174.01939	1.0
177.01932	10.4
185.06189	1.5
187.04018	2.7
227.07228	1.0
229.05159	1.3
241.05084	1.4
256.07361	1.5
271.06140	100.0
271.15530	3.2
272.06488	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	271.0614
Annotation	Isopestacin
Peak:m/z	Relative Intensity
56.75565	0.9
58.93906	1.0
65.00330	7.2
68.99796	1.0
69.40326	0.8
69.72225	4.7
75.00858	0.9
76.76250	0.8
80.47607	0.9
83.05025	1.0
95.01385	4.3
96.99307	1.1
108.02194	2.1
109.02939	1.1
111.00892	8.9
123.00906	2.4
124.01675	18.3
125.02480	1.2
136.01718	4.2
136.02576	0.9
136.98822	8.9
139.00394	14.4
152.01166	15.8
156.00661	5.7
157.06570	2.3
166.99834	4.7
169.06657	1.4
171.08163	2.1
173.06067	4.8
181.06638	1.7
185.06099	2.4
192.99454	0.8
193.01309	1.4
197.06104	1.2
199.07690	1.0
201.05580	1.8
209.06042	1.8
213.15048	2.3
225.05568	9.0
227.07103	3.4
229.05182	1.3
243.06627	48.5
244.06979	2.6
253.04993	8.6
257.80322	0.8
258.35986	1.0
271.06131	100.0
271.19125	2.3
271.22861	0.9
272.06448	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	271.0615
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.44073	0.8
59.01364	1.7
59.20593	0.9
63.02401	9.9
65.00332	18.5
65.24746	0.8
68.99778	1.1
70.20548	3.3
75.99783	0.8
81.03472	1.1
83.01395	12.4
93.03457	16.8
100.34938	0.8
107.01400	31.1
119.05036	82.4
120.05367	2.6
121.02928	1.0
125.02445	1.7
151.00381	71.2
152.00716	1.4
161.06136	1.0
165.01942	4.4
169.01483	4.0
171.06429	0.8
177.01897	9.2
185.06113	1.5
187.04060	2.6
197.22366	1.1
209.15543	1.1
227.07353	1.3
227.87779	0.9
235.13618	1.1
251.70387	0.8
253.14424	1.9
271.06128	100.0
271.22821	1.2
272.06497	4.8
276.35718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	0.8
59.01384	5.7
69.50959	5.2
70.02987	1.4
71.01369	2.0
72.99310	3.3
74.02471	2.0
74.99376	0.7
78.95912	9.6
83.97880	0.7
86.02490	1.5
87.05650	1.2
88.04031	2.2
91.51236	0.9
95.02526	5.7
96.00906	4.9
96.96058	3.8
96.96970	15.5
97.02962	2.6
97.41068	0.7
98.02504	1.2
99.00883	0.8
99.04569	0.8
99.05635	1.8
112.05179	4.5
112.08857	0.7
114.05616	3.9
116.07175	1.2
117.00459	1.3
117.01944	1.0
125.01025	1.0
126.98893	1.6
128.03560	4.0
128.07239	1.0
128.98650	0.9
129.00465	0.9
129.05592	1.3
130.08742	5.4
131.02063	1.7
131.08273	100.0
132.08612	1.5
133.43028	0.7
143.02029	2.6
143.04630	7.5
145.09853	1.6
151.02652	0.8
152.95964	1.1
156.07802	8.0
156.99965	2.7
159.03267	1.0
168.99878	0.9
170.96930	1.0
171.01558	1.0
172.01089	2.4
173.04613	0.8
173.10446	49.6
174.10785	1.4
185.01318	2.4
185.03111	6.4
185.09299	1.6
185.44923	0.9
186.02638	0.8
201.00868	0.8
201.04305	2.0
201.99977	0.9
210.08817	4.5
210.99220	3.6
211.01076	1.9
211.07262	3.1
227.02408	2.5
227.11525	3.2
229.02103	2.2
229.06508	1.0
229.08485	1.5
230.05255	1.5
253.02092	1.6
253.09401	1.8
254.04613	5.2
254.07320	1.2
271.01028	1.0
271.07733	2.7
271.10535	7.4
272.09930	2.3
272.18719	1.1
278.32462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01082	10.6
69.01495	31.5
84.22452	3.8
90.53426	3.9
100.80762	4.1
111.34178	4.1
125.02485	8.1
129.21777	4.1
147.46179	3.7
183.13933	100.0
185.18533	3.7
227.12904	39.7
227.16541	12.6
239.76016	4.0
253.05174	4.8
253.14502	4.8
271.06155	29.7
271.15506	15.0
271.19278	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	271.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	3.8
68.17501	3.6
68.88699	3.6
71.31631	6.1
83.04995	5.0
126.14651	3.8
130.08751	100.0
137.50497	4.1
140.07188	9.7
169.04736	3.8
178.06062	4.2
185.16582	67.8
227.17775	6.9
229.15529	4.6
248.41502	4.7
271.16669	83.8
271.19550	4.9
271.21066	13.4
272.16760	6.2
294.73010	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.40007	0.9
54.86316	0.9
55.80986	0.9
62.59652	0.9
69.19865	2.7
69.20266	6.3
78.28852	0.9
87.49945	0.8
98.21729	1.2
116.92877	1.2
195.52554	0.9
204.85966	1.0
223.20645	3.4
225.22252	57.8
226.22566	3.4
253.21912	1.3
271.22794	100.0
272.23135	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	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.89119	0.3
55.09858	0.3
55.38826	0.4
56.06274	0.3
59.01383	0.3
61.98818	0.6
63.97721	0.3
70.20473	1.2
71.93494	0.4
83.45104	0.3
87.48638	0.3
111.09871	0.4
116.17739	0.3
117.36816	0.4
123.66295	0.4
202.98709	0.5
211.20699	2.0
225.22264	1.5
253.21780	1.4
264.31464	0.4
269.21252	0.9
270.26422	0.4
271.22800	100.0
272.23169	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	272.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12427	0.4
52.28732	0.5
59.01384	11.0
60.17204	0.4
63.43260	0.4
67.16181	0.4
70.35047	0.8
72.00903	0.5
75.84650	0.4
95.19209	0.4
117.00455	1.9
126.98907	0.5
128.07190	0.7
130.08755	100.0
131.09108	1.5
143.04704	0.5
168.99925	1.9
172.01001	0.8
210.06209	0.4
212.07755	0.4
228.07278	2.8
230.08862	7.9
237.02606	0.4
240.04774	0.4
272.09949	39.4
273.10016	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	272.1618
Annotation	(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine
Peak:m/z	Relative Intensity
63.31909	0.5
70.03003	0.6
70.31226	1.7
82.06638	1.2
87.05648	9.5
88.04047	100.0
89.04385	1.1
97.04087	4.5
100.07690	0.5
100.69367	0.5
115.08782	1.1
120.82890	0.5
140.10870	1.1
150.06427	0.8
153.10339	3.1
155.11928	4.9
157.13461	8.4
166.08743	0.6
167.00034	0.5
183.11397	18.4
184.11722	0.5
185.29938	0.5
186.16136	1.3
194.36781	0.5
200.14020	0.6
201.12428	0.8
217.38680	0.5
228.17180	6.9
230.15096	0.6
272.09995	2.1
272.16153	47.6
273.16541	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	272.187
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
52.53519	0.3
57.03465	0.4
59.01364	0.4
60.69509	0.3
60.99952	0.3
71.01373	0.7
71.39532	0.5
72.02171	0.7
73.02949	0.6
81.03448	0.8
83.05028	3.9
99.08149	0.5
127.78419	0.3
128.78976	0.3
132.06209	0.3
141.12854	0.3
149.25908	0.3
167.14442	1.3
169.12294	0.5
170.11879	0.5
196.13414	0.4
197.11894	1.1
199.13426	0.5
208.17191	0.4
211.13400	1.1
225.17125	0.4
227.12872	1.1
229.14481	0.7
234.14996	0.9
236.16499	2.5
253.14560	0.5
254.17584	7.0
268.85452	0.4
272.18683	100.0
273.19061	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	272.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65224	0.3
56.71071	0.3
59.01381	7.2
70.02959	0.5
70.64285	0.9
71.01371	0.6
72.04574	0.3
75.48679	0.3
83.05014	1.4
84.04505	0.4
94.06619	0.6
95.13655	0.3
97.06593	1.4
98.06103	0.3
99.08167	5.4
108.08192	0.8
112.07627	0.4
113.09715	1.6
123.08123	0.4
124.04108	0.3
125.06142	0.8
126.09228	0.6
141.09229	0.4
143.07137	1.0
153.12845	1.6
157.08720	0.5
162.15643	0.4
188.83006	0.3
197.11815	0.7
207.50609	0.3
212.16562	0.7
236.16515	0.5
254.17633	3.4
270.17139	1.5
272.18680	100.0
273.19012	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	272.187
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
57.03426	1.2
59.01382	12.9
71.01383	1.6
71.02440	2.4
75.47763	1.2
78.41693	1.2
83.05029	1.9
93.58424	1.2
93.59003	1.3
94.06601	1.4
99.08173	4.7
111.86368	1.1
132.47044	1.2
134.25833	1.2
142.25481	1.2
156.71989	1.1
200.16486	2.4
243.03242	1.3
254.17592	3.0
270.17010	2.2
272.18680	100.0
273.18976	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	273.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
69.54610	8.1
71.01400	2.1
77.42142	1.4
78.95921	31.2
93.24934	1.3
96.96986	5.7
98.22524	1.6
100.05998	1.4
104.64940	1.4
110.98550	18.5
113.67860	1.3
115.00391	4.0
125.00967	23.5
126.98005	2.4
126.98903	38.0
128.03557	2.4
128.28055	1.5
129.03880	2.0
141.97566	2.6
143.04637	3.4
144.04979	4.1
145.09856	5.0
157.03682	1.4
158.01434	4.5
168.99951	100.0
170.00139	5.8
183.01483	4.8
185.03004	1.9
211.01131	1.7
211.10934	2.9
212.99026	2.3
241.01216	5.9
255.00034	1.5
273.03854	28.6
273.06641	2.8
274.02505	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	273.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
71.01369	2.7
71.29904	1.0
71.30338	1.1
73.02945	3.3
74.02482	1.6
74.43755	0.8
74.99387	1.0
78.95913	56.2
81.26719	0.9
82.02992	1.1
87.00852	2.7
88.04041	1.0
89.02425	2.6
90.31308	1.0
95.52331	0.9
96.96969	3.3
98.02490	1.2
99.00889	1.3
100.06023	1.4
110.98535	43.8
115.00388	3.6
117.00444	1.7
117.01949	8.7
118.05178	1.2
125.00070	1.4
125.00957	25.7
126.01067	1.4
126.98889	35.8
127.05135	1.4
127.98981	1.4
128.03537	3.2
129.03862	2.3
130.08736	3.3
131.08250	3.8
133.01474	4.6
135.60719	1.0
141.97571	2.9
143.04614	1.8
144.05003	2.2
145.06190	1.9
145.09821	4.1
146.04608	1.8
156.99983	4.5
159.01460	1.3
168.99936	100.0
170.00005	5.6
172.01001	2.2
173.10457	2.3
181.43181	0.9
183.01511	5.5
185.03082	1.3
186.02605	1.5
192.20854	1.0
194.33815	1.0
211.00929	2.4
211.10872	1.8
212.98920	5.3
213.04115	1.7
216.99263	1.0
227.49216	0.9
241.01210	11.2
248.07811	1.0
255.00015	1.2
273.03809	64.8
273.10919	3.2
274.04227	2.1
274.09406	1.6
276.91519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0387
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
63.38565	0.1
69.87498	0.8
78.95914	92.1
85.02953	0.5
89.92773	0.2
96.96977	5.2
98.21875	0.2
110.98549	65.8
111.98880	0.2
126.00993	0.2
132.34512	0.2
136.94041	0.6
145.09825	0.2
223.00092	0.3
241.01215	19.1
242.01622	0.3
273.03839	100.0
273.94983	0.3
274.04138	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	273.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50516	19.7
69.50922	53.9
78.07230	10.7
98.03353	11.9
145.30032	11.9
167.02130	10.6
180.32404	11.1
273.12961	60.6
273.18994	100.0
274.20261	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	273.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
58.02977	2.1
58.30754	0.8
59.01382	1.3
70.02971	1.4
71.32259	1.5
73.04079	4.3
77.11058	0.7
81.39111	0.8
87.04501	1.1
96.21840	0.8
97.30198	0.8
98.02486	9.5
99.89794	0.7
100.23595	0.9
109.82117	0.8
115.05111	1.1
122.06087	1.3
130.08748	100.0
131.09079	2.8
141.10291	1.0
143.11913	93.1
144.12236	2.3
171.16165	1.0
185.12973	9.5
187.10866	3.3
193.05022	0.9
228.09082	1.6
229.11940	93.8
230.12326	4.2
243.11360	3.0
273.12222	8.3
273.15091	1.7
273.19052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24302	0.4
59.01369	1.3
65.08689	0.5
67.01873	0.6
71.01385	3.5
71.32327	0.7
74.02481	0.7
82.02960	1.2
82.06639	2.1
83.14049	0.4
84.04563	2.7
87.05663	0.6
101.46517	0.5
114.67559	0.4
127.05133	0.9
128.03551	100.0
129.03883	2.1
129.10347	1.3
130.08748	47.8
131.09048	0.7
137.44434	0.5
139.08781	4.0
141.10390	1.7
145.06221	0.8
149.06158	0.5
152.07201	0.7
153.02045	0.5
155.11952	0.8
167.11920	1.3
169.09827	8.2
169.13422	3.5
179.11876	2.7
181.09831	0.5
181.65471	0.4
197.12988	8.1
201.12376	0.9
213.12498	0.6
214.70331	0.5
223.10922	0.9
230.08258	1.4
241.11951	36.4
242.12273	1.6
244.06538	1.4
273.00772	0.7
273.10245	2.0
273.14618	11.8
273.18933	2.9
274.11890	1.4
274.14764	0.7
274.20395	1.1
285.87488	0.6
290.38388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31854	0.9
63.21895	0.9
69.56557	3.1
69.56991	3.2
69.79147	0.9
81.03464	12.6
92.05064	1.4
98.21780	0.9
103.27953	0.9
108.04569	2.0
121.05350	1.6
124.04045	3.1
125.02441	2.4
129.05710	1.1
130.04204	1.0
130.06686	1.1
132.04556	2.8
136.04036	5.6
148.04053	15.1
149.04875	7.2
149.73727	1.0
150.05612	6.0
155.05133	1.1
156.08160	2.3
157.05348	6.6
158.06146	1.3
161.06110	2.7
165.41759	0.9
168.04643	1.4
169.05324	3.6
171.06882	2.3
172.07713	26.1
173.08014	1.9
174.09250	11.6
182.06094	11.9
183.06696	0.9
184.07677	7.5
187.06380	1.4
197.04826	8.5
198.05423	1.2
200.07190	39.8
201.07729	2.4
202.08809	7.5
210.05588	2.1
211.06384	2.7
212.07202	51.4
213.07497	2.9
218.08307	1.7
226.05147	1.5
230.08237	100.0
231.08488	3.7
234.62593	1.1
244.05989	1.9
274.07224	2.7
274.20282	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	274.2026
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
57.03432	0.7
59.01369	1.5
70.36125	1.6
70.36490	0.5
71.01376	0.5
71.05021	4.4
74.02470	1.0
83.05041	1.0
85.06591	4.1
87.04514	0.8
87.05640	1.2
99.08163	0.8
100.07700	0.7
101.07207	1.0
103.63062	0.5
114.09258	0.8
116.92864	0.7
119.05043	5.9
127.05176	0.6
127.11254	4.0
139.11317	0.6
145.06184	1.9
153.24699	0.5
155.10782	1.0
157.12341	1.5
161.96008	0.4
186.14919	0.6
210.18625	0.9
226.18076	0.7
228.19672	4.1
256.16693	0.7
256.19199	9.8
272.18787	1.7
274.11935	2.2
274.20245	100.0
275.15295	1.0
275.20523	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	274.2026
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
56.13914	1.4
59.01370	2.5
70.83440	1.5
70.83777	2.1
85.01134	1.3
85.06595	4.1
119.05050	2.1
141.12872	3.9
182.19841	1.3
206.87057	1.4
256.19254	6.4
272.18597	2.3
274.20251	100.0
275.20593	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	275.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84320	0.6
57.03451	8.4
59.01372	0.7
61.17075	0.6
69.21383	2.1
69.21802	3.4
71.05021	1.0
79.95741	100.0
80.96519	56.3
81.03453	0.8
83.05027	9.0
95.94974	0.7
96.96021	8.2
97.02883	0.7
98.03746	0.9
107.08679	1.5
133.10239	0.9
149.09740	11.1
151.11288	20.8
151.12488	1.1
152.11525	0.7
195.10263	11.1
231.06943	12.1
237.60072	0.8
247.09782	0.7
271.86346	0.7
275.05957	65.7
276.06247	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34472	0.3
57.03423	0.3
58.93832	0.4
63.96227	1.1
69.12943	3.8
71.05016	0.5
79.95741	29.7
80.96519	11.6
95.05037	0.6
96.63937	0.4
115.87870	0.3
133.28967	0.3
172.99133	10.1
173.00667	0.7
187.00691	0.8
188.01492	8.3
233.03026	1.2
248.01840	0.4
257.08582	0.5
260.07266	1.5
275.09598	100.0
276.09930	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	275.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85483	1.3
71.05006	0.6
79.95732	2.6
80.96523	100.0
116.92854	0.8
117.16000	0.5
117.40419	0.5
120.42390	0.5
121.29079	0.5
155.12819	0.5
192.95872	0.6
275.09613	43.4
276.09857	2.0
276.82767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
69.19077	0.5
71.33726	0.5
79.95740	33.0
80.96523	27.7
83.85836	0.4
109.51586	0.5
132.99623	0.5
139.11305	1.1
139.16389	0.5
140.09787	0.4
141.57481	0.5
144.85815	0.5
180.23741	0.4
185.99927	2.1
187.00717	3.4
188.98581	0.7
190.72411	0.4
195.14005	0.8
199.00618	0.7
203.10738	1.4
204.00966	3.0
247.09795	0.7
257.08551	10.5
259.06387	0.8
275.09595	100.0
276.09851	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	275.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78740	0.3
50.94849	0.3
57.54239	0.3
61.64450	0.3
63.96248	0.5
68.34827	0.3
68.99816	1.2
70.95842	0.8
72.00954	0.3
75.99747	0.3
79.95742	18.4
80.96522	60.0
81.03456	0.7
94.58872	0.3
99.04554	0.5
118.06647	1.1
129.09250	0.7
147.04529	0.6
155.10799	5.0
163.00600	0.4
164.07158	0.8
169.12372	0.8
174.97070	2.0
185.99945	0.4
189.99426	19.4
190.99918	0.4
193.12334	1.0
211.13437	1.9
257.08771	1.6
275.09604	100.0
276.09897	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	275.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39179	0.5
57.03453	0.5
67.03024	2.8
69.08561	5.6
70.02959	1.2
71.01398	1.1
72.00902	0.9
80.96503	0.6
82.02988	4.7
84.00890	0.7
85.76943	0.5
91.05541	2.2
96.00933	0.5
96.95988	1.5
98.02483	1.7
101.10416	0.6
107.02514	3.5
109.04081	17.0
109.35001	0.5
111.03261	0.6
112.04053	3.5
118.06618	0.9
119.05046	1.2
122.06128	1.0
127.05140	100.0
128.05479	2.3
136.07701	5.9
139.05209	0.8
139.06387	0.6
140.07170	2.0
147.04526	7.6
154.08760	0.9
156.54184	0.6
164.07173	2.3
182.71469	0.6
186.05653	1.1
186.09166	0.7
197.01534	0.6
199.09175	0.6
202.12326	1.0
214.08684	1.0
231.11336	3.4
245.12993	0.8
275.05664	1.5
275.10394	51.5
275.13702	2.3
276.10822	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	275.1516
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
51.16380	0.3
52.68396	0.2
58.05327	0.2
60.94406	0.2
69.03384	0.9
69.03805	1.7
74.02504	0.3
87.05655	0.9
88.04018	0.2
88.05981	0.3
92.90774	0.2
93.03474	0.4
93.21350	0.2
101.07206	0.3
101.13534	0.2
112.08841	0.2
119.05038	100.0
120.05379	2.9
127.05137	0.7
127.62962	0.2
138.06735	0.4
144.04608	0.5
145.02986	0.3
145.06198	0.6
162.05699	0.3
191.11952	0.6
231.08582	0.3
233.12956	11.0
234.13431	0.4
257.19510	0.3
258.12466	0.5
275.12256	1.9
275.15131	17.2
275.20050	2.1
276.15356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1656
Annotation	7-Hydroxy-10-ethoxydehydrodihydrobotrydial
Peak:m/z	Relative Intensity
53.55300	0.9
53.91960	0.7
59.01382	3.7
69.31177	0.7
70.80111	1.7
71.05027	22.6
79.75043	0.7
81.03442	0.8
83.05023	5.0
90.92423	0.7
91.05548	1.1
95.28552	0.7
116.92889	2.1
164.89696	0.8
177.16502	1.6
184.08357	0.7
191.05672	0.9
192.85011	1.1
192.95856	2.5
193.88541	0.9
203.14430	3.0
223.98743	0.8
225.58325	1.0
229.15993	2.1
231.17567	33.0
231.20963	5.1
232.17917	1.8
257.15479	8.5
263.15781	0.9
275.16565	100.0
275.20129	44.8
276.16873	6.7
276.20502	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	275.2019
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.23940	1.4
59.01382	8.6
59.68115	1.5
68.43386	1.4
69.64275	8.4
69.99149	1.3
71.43645	1.3
72.93294	1.3
98.22488	2.4
113.51476	1.5
116.92883	2.8
121.45937	1.3
165.58394	1.8
177.16487	2.5
231.21173	11.3
275.20184	100.0
276.20505	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	276.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69318	100.0
89.71950	16.8
97.56880	21.5
141.52235	18.5
142.17444	17.8
166.58615	19.0
194.92812	40.7
217.87154	24.0
276.20602	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	276.9185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12829	0.5
51.83212	0.4
59.01381	0.8
67.87991	0.5
69.19575	3.8
78.95907	0.6
79.95721	0.8
90.98066	0.8
92.96006	0.7
96.76389	0.4
96.96025	23.6
132.99141	0.9
134.96196	1.5
134.97075	41.5
135.97186	1.5
136.94029	100.0
137.94106	4.6
138.94528	0.6
151.92641	0.6
169.82603	0.5
176.98117	11.6
177.98265	0.4
178.95094	6.0
196.38348	0.5
216.89703	85.3
217.89738	5.1
234.90770	22.0
234.93163	0.8
234.97229	1.5
235.90750	0.9
271.55487	0.5
276.91678	0.8
276.98257	19.6
277.21527	0.6
277.98370	1.6
288.02457	0.5
293.39615	0.4
294.85083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38893	1.0
67.19291	1.0
71.01406	1.6
71.30765	1.5
78.47863	1.2
78.95913	42.3
96.96969	100.0
101.00539	1.1
115.00373	2.6
125.01250	1.1
139.91760	1.1
186.39836	1.2
240.15358	1.1
277.03598	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	277.1084
Annotation	Paniculide C
Peak:m/z	Relative Intensity
50.60939	1.1
61.98824	1.9
69.14317	4.3
69.14747	8.4
69.98759	1.1
74.35678	1.2
78.95876	1.8
105.03443	2.3
121.02931	2.9
123.04565	2.7
137.02509	1.9
149.02466	14.6
150.03246	11.1
151.04021	78.5
152.91740	4.7
153.01950	3.9
164.04750	1.8
177.01927	17.6
194.92822	5.1
194.95523	1.4
195.02994	42.2
196.03191	1.5
212.93918	1.7
226.46019	1.4
277.10818	100.0
278.11166	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	277.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62909	0.6
50.68245	0.6
52.38816	0.6
54.30832	0.6
58.02976	4.3
61.20400	0.6
65.52867	0.6
69.30747	5.1
70.02985	12.6
71.01379	0.9
71.02505	0.8
71.05026	24.3
80.96509	2.8
87.05638	8.4
89.41653	0.6
90.98613	1.2
91.05532	4.4
92.05837	0.7
99.04532	7.9
114.09306	0.7
115.05148	2.1
116.07182	4.2
117.48915	0.7
121.03010	0.7
125.33853	0.7
129.05551	1.3
130.03336	12.5
130.04242	0.4
130.08749	42.2
131.05067	0.9
131.09128	1.0
135.04539	1.4
135.69293	0.9
141.09436	0.5
141.10347	24.6
146.08241	100.0
147.05983	5.4
147.08546	2.7
154.30185	0.7
216.13927	6.2
217.11928	25.0
218.12321	1.3
277.12302	38.7
277.15591	97.1
278.12695	1.7
278.15939	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02976	4.7
59.01382	0.6
69.39608	2.1
69.40033	1.5
70.02981	12.9
71.01392	0.8
71.05023	24.2
72.00903	1.0
79.52423	0.4
80.50182	0.5
83.86292	0.4
87.05638	7.6
96.96019	4.6
97.04046	0.5
99.00896	0.7
99.04527	8.1
115.05141	1.9
116.07196	3.7
121.02977	0.7
123.04612	0.5
129.05585	2.0
130.03323	10.4
133.02965	1.6
134.03760	0.6
135.04544	1.0
138.05591	1.3
146.08240	100.0
147.06003	4.9
147.08578	1.6
161.02480	0.7
191.00256	2.1
205.99017	3.4
217.11943	25.3
218.12340	0.8
219.59973	0.5
222.99255	0.9
232.95474	1.0
233.01346	1.9
234.11420	0.5
234.99300	2.2
237.97862	0.9
243.13513	0.8
248.97194	1.0
249.97954	1.1
277.00305	5.3
277.12280	36.8
277.21719	1.0
278.06979	0.7
278.12503	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	277.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
64.29916	0.4
69.18641	3.4
71.02516	0.9
72.00908	2.0
91.05539	7.0
112.07678	1.0
118.06579	0.4
129.10355	77.3
130.08760	0.9
130.10707	1.2
135.04550	1.0
139.08800	0.5
141.10306	0.6
146.08250	0.7
147.04535	22.5
147.56090	0.5
148.04936	0.8
164.07173	18.1
167.61424	0.4
233.16594	6.0
277.15579	100.0
278.15897	7.6
289.19122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43600	0.6
58.86959	0.7
60.17719	0.7
69.43088	4.9
72.00921	1.5
75.75874	0.7
82.06624	2.1
87.05669	1.1
91.05537	7.1
95.04411	0.8
96.68713	0.7
112.07695	5.9
129.10352	66.3
130.08752	7.5
130.10667	1.3
133.25761	0.7
141.10336	3.0
147.04543	19.0
148.04765	0.8
164.07170	15.8
165.07487	0.9
204.01663	0.7
233.16560	4.5
277.15582	100.0
278.15933	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	277.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.1
70.02985	11.1
70.66077	0.6
70.66400	0.7
71.02511	1.0
71.05025	20.1
72.00918	1.0
74.28254	0.4
80.96518	2.3
87.05643	7.6
90.98611	1.5
91.05539	4.2
98.06105	0.4
99.04539	6.6
112.44073	0.5
114.09185	0.5
114.99409	0.5
115.05145	1.5
116.07188	3.1
118.06633	0.7
119.05045	0.6
120.99770	0.4
121.02952	0.5
129.05603	1.3
130.03336	9.2
130.08748	39.9
131.05031	0.8
131.09050	0.8
135.04550	1.1
139.08813	0.4
141.10353	24.3
142.10660	0.5
146.08243	88.4
147.04787	0.5
147.06006	4.8
147.08554	2.4
167.08318	0.7
189.09233	0.6
189.50757	0.5
216.13922	3.8
217.11949	23.8
243.13466	0.6
252.16933	0.5
277.07428	1.7
277.12308	33.3
277.15591	100.0
278.12674	1.2
278.15930	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34808	0.4
59.01380	2.7
63.21884	0.4
69.80058	2.3
82.49382	0.4
97.06541	0.5
108.20461	0.4
233.22835	0.7
259.20425	0.6
275.20316	0.5
277.21735	100.0
278.22064	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.1
71.01376	0.5
72.53444	0.2
76.76242	0.2
83.05006	0.3
93.51711	0.2
98.22523	0.4
121.02937	0.2
135.71736	0.2
165.94281	0.2
176.87488	0.2
189.57790	0.2
205.15904	0.3
233.22772	0.4
259.20731	0.6
271.24930	0.2
275.20093	0.3
277.21732	100.0
278.22070	7.2
278.25177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2177
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01380	2.6
61.98819	0.4
69.25069	2.3
71.01376	0.5
83.05029	0.3
94.65262	0.3
121.03007	0.6
127.07654	0.4
127.11318	0.5
134.89482	0.3
152.91777	0.5
156.14789	0.3
181.60274	0.3
194.92874	0.7
205.15930	0.5
212.00896	0.3
219.89886	0.3
220.66690	0.3
233.19145	0.4
233.22729	0.6
259.20798	0.5
277.21738	100.0
278.18857	0.6
278.22073	7.5
278.25156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.32868	0.1
56.06509	0.1
59.01382	2.2
71.01377	0.7
75.15202	0.2
75.98012	0.2
83.05019	0.2
84.66882	0.1
113.06114	0.2
116.87192	0.1
120.94970	0.2
121.02992	0.3
127.07640	0.4
146.77431	0.2
178.52635	0.1
205.15962	0.4
205.19568	0.2
233.15567	0.2
233.19147	0.2
233.22725	0.5
259.20667	0.5
275.20184	0.5
277.21735	100.0
278.22086	7.2
278.24738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01388	1.7
63.62648	0.8
70.66104	1.2
77.00256	0.7
104.76499	0.8
106.35529	0.7
113.45683	0.7
142.85751	0.8
159.01671	0.8
208.43056	0.7
218.29962	0.7
259.20551	0.9
277.21741	100.0
278.22043	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	278.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
59.01387	18.5
69.09435	2.8
69.09853	6.9
71.01381	8.1
71.05016	2.5
72.99285	1.0
73.04060	1.8
74.02464	3.1
80.96524	1.6
83.01386	3.5
84.04563	0.9
85.02963	2.5
87.05652	2.6
89.02457	8.3
95.01386	1.7
99.04516	6.0
101.02451	6.0
106.06647	1.3
107.05005	3.5
108.04576	1.7
108.05308	1.2
113.02441	3.3
113.03558	1.3
114.05599	3.5
115.05932	1.5
116.07178	3.2
117.05585	15.1
119.03495	3.4
119.04967	1.2
119.08640	1.8
121.06619	1.0
123.04492	1.3
127.08803	1.4
130.08684	1.1
132.04544	3.7
132.05745	1.2
134.05026	1.4
134.06136	29.9
134.09770	1.8
135.04483	1.1
135.06503	1.4
139.03972	1.3
145.05339	1.5
145.06567	2.5
146.06081	4.0
147.04527	2.0
147.07007	1.8
147.08153	12.5
148.07716	3.3
149.02452	3.7
150.05589	2.2
160.02667	2.1
160.04016	2.4
160.07684	3.9
162.05608	1.7
162.09274	13.8
164.07150	3.3
172.07697	17.6
173.04776	4.2
173.06123	1.4
173.09274	1.0
174.05597	14.9
175.06409	16.1
178.05119	2.7
186.05623	7.4
188.07170	42.6
189.07739	2.1
190.08748	100.0
191.09045	2.9
204.06683	9.8
216.06717	4.8
217.09953	1.4
234.07712	7.1
246.44431	0.9
261.08862	1.1
278.06723	13.7
278.11758	8.6
279.05487	1.2
279.10843	31.5
279.13593	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	279.0988
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.06787	0.9
59.01095	1.3
59.01382	24.1
71.01389	23.9
71.02511	37.7
71.04993	1.5
71.10166	2.1
72.00914	2.1
72.99298	1.3
73.02947	2.4
74.02477	1.5
78.95894	2.1
80.96521	2.3
83.01357	1.3
83.06015	0.9
85.02938	1.4
88.04051	19.6
89.02455	17.3
91.05529	3.3
93.03464	3.1
96.96011	3.8
97.02931	1.5
99.04521	3.9
99.05651	2.8
101.02449	8.3
107.05012	6.2
113.02440	4.7
115.00375	23.7
115.04052	1.9
115.08784	82.3
116.07171	5.0
117.05573	11.9
119.03524	4.3
119.05038	23.2
121.03000	3.0
122.06109	1.9
123.04530	3.8
125.06113	1.0
127.08765	1.6
129.10332	2.1
129.42430	1.0
132.02992	1.7
133.02988	2.8
135.04510	1.6
136.93224	3.5
139.04007	6.2
143.03560	1.3
145.08717	3.9
146.06140	12.9
147.04507	6.5
149.02472	11.7
151.65346	1.0
152.91754	9.6
161.04655	1.3
163.04059	8.7
163.08768	22.7
164.07169	24.5
165.07405	1.3
173.09325	6.8
174.09215	1.6
177.05536	1.2
179.05666	1.9
180.06657	13.0
234.96738	1.4
235.08533	0.8
235.10892	23.5
235.14474	10.8
236.11127	1.8
241.45259	1.2
261.08768	3.4
278.95764	6.0
279.10068	40.2
279.13513	100.0
280.10544	1.6
280.13864	4.0
298.52695	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	279.1089
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03447	2.1
57.70824	1.6
58.00609	3.3
58.91418	1.4
59.01387	100.0
60.01707	1.8
70.83245	4.5
71.01393	75.0
71.02505	11.6
71.05038	1.6
72.00894	1.6
72.99307	5.3
73.02946	2.6
74.11420	1.5
85.02962	13.6
85.11514	1.7
87.00890	2.1
88.04061	5.8
89.02457	84.4
90.49883	1.7
95.01391	3.4
96.36288	1.7
99.04543	10.8
101.02460	40.4
107.05058	3.4
113.02475	25.1
115.00404	8.6
115.08768	7.1
116.07178	7.8
117.05602	10.3
119.03528	39.0
119.05021	4.4
122.89474	2.1
127.08803	2.4
131.03491	3.9
139.70377	1.7
143.03488	5.0
146.06143	3.6
146.33589	1.5
147.04605	2.0
149.04533	2.6
161.04521	3.8
163.08842	7.7
164.07239	8.4
179.05652	7.7
180.06679	2.1
187.98752	2.1
190.20410	1.9
206.80208	1.9
218.11967	1.9
235.10919	8.7
235.14542	1.6
261.08694	1.7
279.10742	56.7
279.13638	26.3
279.23318	3.7
280.11041	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	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.23444	0.5
51.66170	0.7
55.01899	0.9
56.29142	0.7
57.03464	1.2
58.00594	2.6
58.02974	0.6
59.01385	55.0
60.01735	0.9
70.33806	1.8
71.01389	31.6
71.02499	3.6
71.05029	7.6
72.99319	2.9
73.02962	1.8
73.92512	0.6
78.95915	0.8
80.96520	1.8
81.03483	1.3
83.01389	2.5
85.02956	6.8
86.02480	0.7
87.00912	1.4
88.04050	1.5
89.02455	32.1
92.67297	0.6
92.97530	0.7
95.01402	2.5
96.96019	1.8
96.96972	1.2
97.02947	1.5
99.00919	1.6
99.04527	20.9
101.02448	19.7
101.06160	0.7
107.05043	3.5
110.02502	1.1
111.02055	0.6
113.02451	11.9
115.00381	2.1
115.08774	7.0
116.07201	7.0
117.05593	47.7
119.03522	13.5
119.04957	3.5
121.03010	0.6
125.02460	1.2
127.08772	1.8
129.10342	1.2
131.03563	1.4
143.03505	3.8
144.03069	0.7
145.06598	1.0
146.06076	1.1
147.04555	0.9
149.02490	1.7
149.04495	1.0
159.06622	2.7
160.02672	2.2
161.04521	1.0
162.98042	1.3
163.04012	1.5
163.08839	1.9
164.07184	2.5
173.06082	2.3
173.09314	1.9
179.05595	2.4
180.06767	1.3
180.99107	18.5
209.04868	0.6
218.11908	1.1
235.02667	0.8
235.10869	1.8
235.14523	1.7
243.06148	3.9
261.04120	1.0
265.51605	0.6
279.05252	3.8
279.10858	100.0
279.13620	20.8
279.71725	0.7
280.01321	0.6
280.11179	4.2
280.13849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68618	3.3
57.03446	15.7
61.49916	4.0
71.01410	4.9
71.08619	3.9
95.05014	4.5
97.02950	9.1
109.02941	7.3
109.06605	11.5
121.06593	9.9
122.03757	14.8
124.05314	27.6
125.06054	7.6
134.89366	3.2
137.06079	19.5
139.07661	100.0
147.08188	5.5
168.07913	25.6
187.11285	21.4
190.39665	4.1
203.50093	3.5
204.64977	4.0
205.12344	43.2
217.12396	4.1
276.20547	3.9
279.12393	9.0
279.23282	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.53070	0.7
54.22967	0.8
55.09079	0.7
59.01385	0.8
68.75964	0.7
70.45374	2.4
72.99317	1.4
75.48946	0.7
92.06286	0.7
96.96020	2.3
97.06627	0.9
110.03081	0.8
125.09750	2.8
137.33136	0.7
139.11296	2.5
172.73354	0.9
177.16479	4.4
194.52892	0.7
214.46596	0.8
233.19109	3.5
240.65237	0.8
264.14075	0.8
273.83981	0.8
279.19659	100.0
279.22333	3.8
280.19980	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.61821	0.4
58.44194	0.4
69.27053	3.0
69.27455	0.8
75.37507	0.5
75.53170	0.4
81.31274	0.5
89.36274	0.5
104.40765	0.6
108.32265	0.6
116.02650	0.6
117.39233	0.5
155.81395	0.5
181.88478	0.6
183.54510	0.5
234.00648	0.5
261.22498	0.6
279.23325	100.0
280.23663	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	280.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81374	2.3
59.01376	5.4
68.89705	2.6
70.94071	6.3
71.01403	4.5
72.00905	19.1
91.05524	6.3
96.00921	5.1
99.00888	3.5
109.01702	98.2
115.34821	2.5
118.06625	12.6
124.46695	2.3
135.83383	2.8
147.04532	33.6
164.07175	100.0
165.07629	2.6
174.09230	6.2
175.53445	2.4
176.07153	19.5
193.03204	3.0
202.04987	2.9
218.08295	5.4
222.12691	2.6
244.06151	73.3
245.06458	4.4
252.08237	2.7
262.07184	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78599	0.2
58.00613	0.3
59.01379	8.9
69.26179	2.1
71.01386	2.8
72.99299	0.3
73.02945	0.3
80.01954	0.3
89.01967	0.3
89.02432	1.2
90.60199	0.3
91.05514	0.5
93.03488	0.3
93.90414	0.3
101.02448	1.2
105.03471	0.4
106.04228	0.4
107.05055	1.1
108.77496	0.3
109.02970	2.2
111.00871	0.6
117.03478	0.6
121.02979	1.0
123.04530	0.3
132.02180	1.3
133.02968	28.4
134.03784	6.2
135.04536	100.0
136.04843	2.9
137.02440	4.5
139.04008	1.1
145.01454	0.3
147.04532	0.9
148.05315	4.0
149.06093	15.9
150.03271	0.6
150.06441	0.4
161.02457	69.6
162.02802	2.7
163.04004	0.4
169.66812	0.3
175.04034	0.8
177.05582	26.1
178.01355	0.2
178.02711	1.4
178.05884	1.5
179.03508	89.3
180.03886	3.0
189.05545	0.5
203.03531	2.9
207.06563	0.3
221.04556	35.0
222.04951	1.5
281.06677	16.5
282.07013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.30114	2.1
57.03447	4.3
58.00596	2.5
59.01385	99.9
60.04509	2.0
69.90626	10.1
71.01388	100.0
72.99320	3.4
73.02953	23.1
73.04060	7.5
74.02471	3.4
83.01402	10.2
85.02953	39.7
85.04056	3.1
87.00872	3.1
87.04528	2.7
89.02451	55.0
95.01407	6.8
97.02915	1.9
98.21824	2.7
99.00896	8.7
101.02452	77.0
101.55260	1.8
107.05004	3.1
108.02053	3.5
111.02010	8.3
111.15711	2.0
113.02449	40.3
115.55381	2.2
119.03516	26.4
119.07131	10.3
126.03062	2.7
131.04584	2.5
133.01569	8.5
133.02998	2.4
135.04507	9.7
143.03511	7.4
145.60437	2.4
149.04515	2.0
150.04210	29.0
159.02998	7.1
161.02425	6.6
161.04565	46.8
165.85132	2.2
177.05608	3.2
179.03528	7.6
179.05641	5.6
180.06685	4.9
193.09770	2.5
200.05733	2.4
237.08817	22.6
243.06168	8.1
281.12415	35.5
282.08426	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	281.1399
Annotation	Merrillianone
Peak:m/z	Relative Intensity
53.63957	2.4
57.03439	7.7
59.01390	7.2
61.75638	2.5
71.31271	2.9
71.31649	3.9
83.05029	5.7
87.00877	4.8
95.05042	7.0
105.68665	2.9
111.04538	3.0
111.08178	3.4
121.06608	4.2
123.08180	10.5
124.05322	4.4
139.07707	7.0
147.02762	2.7
171.11786	24.4
187.11377	2.7
189.12891	6.2
201.12894	4.1
207.14021	4.2
237.14995	21.6
281.13983	100.0
281.17108	5.1
282.14368	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	281.1397
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01895	1.6
56.76345	1.3
57.03453	10.8
59.01379	7.0
60.57681	1.3
69.23724	10.0
71.05048	1.2
79.05523	1.4
80.05280	1.3
83.05045	7.7
83.38280	1.3
90.49357	1.5
92.77567	1.4
95.05029	5.9
97.02962	2.8
97.06593	3.4
99.04510	1.8
107.05017	1.7
109.06610	3.1
111.04572	1.9
111.08178	4.6
113.06120	1.5
119.08661	4.5
121.06585	3.7
121.10273	1.5
122.03764	5.0
123.08165	3.4
124.05305	17.3
125.81535	1.3
129.07091	5.0
133.06589	1.6
135.04535	1.5
135.08160	1.6
137.06093	5.4
137.09738	5.0
139.07652	28.2
143.08676	3.9
145.10231	1.8
147.08174	1.7
147.11798	1.6
149.09712	1.9
153.09259	1.5
154.07437	1.4
155.08644	1.5
159.08270	1.5
159.11783	1.8
163.11327	2.4
169.10265	7.7
171.11804	100.0
172.12135	4.4
175.11238	3.8
177.12877	1.7
187.11284	18.3
189.12866	24.5
201.12883	13.7
207.13879	9.6
215.10767	4.7
217.12274	6.5
219.13892	3.8
237.14946	38.9
238.15308	2.2
281.13956	88.4
282.14307	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	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
62.29086	1.0
65.94885	0.9
71.15561	1.4
92.29035	0.9
104.31853	0.9
108.01369	1.0
126.33189	0.8
129.21339	1.0
192.74265	0.8
197.46913	0.9
244.70647	0.9
281.24875	100.0
282.25201	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	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.17400	0.2
66.00975	0.5
69.42451	0.4
69.42857	1.0
75.77750	0.2
82.04113	1.2
87.00906	0.3
98.21841	0.3
107.03635	4.3
108.02045	8.6
110.07227	0.4
126.03106	5.4
130.08745	3.1
133.01567	32.0
134.01958	0.4
134.80396	0.2
149.60320	0.2
150.04214	100.0
151.02689	0.4
151.04660	1.8
154.06194	0.3
163.59332	0.2
164.05783	0.3
167.34204	0.2
198.68031	0.2
201.02512	0.3
239.99072	0.2
266.06332	0.3
282.08435	25.8
283.08661	1.3
283.16367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82612	0.5
56.99506	0.4
57.92672	0.4
59.01368	0.5
63.21556	0.4
70.65972	1.2
76.02280	0.4
82.06630	1.3
84.08189	3.1
84.80081	0.5
97.06593	0.5
112.38770	0.4
116.07221	0.9
126.09229	1.8
130.08749	43.2
131.09114	1.0
191.94270	0.5
195.15015	1.9
201.15053	0.5
209.27643	0.5
211.18158	23.2
212.18410	1.1
255.17145	100.0
256.17447	5.3
282.18237	6.5
283.15326	0.7
283.18719	0.6
283.26465	1.3
291.51746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2079
Annotation	epi-Tumonoic Acid D
Peak:m/z	Relative Intensity
52.11019	0.7
58.83044	0.7
59.01387	4.7
62.87245	0.6
65.33264	0.6
69.05367	5.4
71.01390	0.9
83.05016	1.0
93.21582	0.6
98.10186	0.6
116.38060	0.6
208.17015	0.8
282.20776	100.0
283.21188	6.3
283.26300	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	283.0615
Annotation	Acacetin
Peak:m/z	Relative Intensity
58.54553	1.5
59.01374	4.8
59.48526	1.5
61.72515	1.6
62.21605	1.6
65.76292	1.6
69.64831	1.5
70.64682	4.4
70.65009	1.4
71.38046	1.3
88.36707	1.8
95.08131	1.4
110.00105	6.8
137.02397	1.7
139.05504	2.4
163.00392	19.2
165.66850	1.6
165.99028	7.7
184.05244	1.9
211.04065	1.8
215.14682	1.4
224.04889	1.8
239.03415	4.3
265.18106	2.3
267.03104	2.4
268.03778	100.0
269.04163	6.0
283.06140	31.0
283.16022	2.1
283.19156	9.9
283.26425	18.9
284.06427	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	283.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21813	3.2
54.38911	3.1
56.70036	3.1
57.03446	8.9
58.78320	2.7
63.37313	3.2
67.05510	3.9
69.31195	21.8
71.05012	13.2
71.69762	3.4
82.43429	3.3
93.07108	38.5
98.21784	7.7
117.03461	7.5
119.05033	9.1
131.08664	4.5
133.10252	74.9
137.06090	9.5
151.11310	34.6
159.08200	4.3
170.96422	3.0
177.09230	4.9
195.10265	100.0
221.08192	10.1
239.09286	4.7
245.83556	3.7
283.06052	57.4
283.09012	6.7
283.26529	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	283.1189
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
50.04654	2.8
53.54069	2.5
57.03439	4.6
58.00610	3.4
59.01382	60.1
59.28461	2.8
68.74252	3.8
69.03476	9.6
70.95770	7.2
71.01385	5.5
71.05014	4.1
79.05537	66.7
81.03451	4.0
83.05030	4.1
95.05019	18.8
97.02948	16.5
97.06596	44.4
99.00898	4.6
107.05064	10.2
109.02994	3.9
109.06599	6.3
110.03770	3.1
111.04517	3.4
113.02477	7.1
115.03989	4.2
121.06638	3.6
123.04506	11.6
123.29551	2.8
125.06083	22.7
125.09655	3.9
127.07649	6.6
133.10283	7.4
139.07564	3.6
141.05579	13.8
161.09750	3.8
177.12901	8.6
179.10823	3.0
182.01001	2.9
185.08183	4.9
195.10345	4.2
197.09666	3.5
221.11819	4.4
239.12967	18.2
265.10803	5.1
283.11942	100.0
283.15219	7.3
283.26413	48.8
284.12256	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.83052	2.2
71.01377	6.0
87.66740	2.2
89.02446	2.8
96.96043	5.7
98.22532	4.8
99.88911	2.4
101.02449	3.5
102.98618	2.3
113.02493	2.9
113.82819	2.2
119.05043	3.0
141.12459	2.1
197.28204	2.2
209.11650	2.6
211.04149	2.7
283.06073	17.5
283.09116	4.4
283.12103	5.1
283.15414	7.3
283.26459	50.7
284.18701	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
56.26864	1.1
59.87207	1.0
69.17796	1.0
70.50393	1.1
70.52660	1.6
77.53463	1.1
107.05038	95.4
108.05375	1.5
113.31157	1.2
143.84189	1.1
144.68620	1.1
163.11299	100.0
164.11626	4.9
182.99658	1.0
234.88153	1.2
283.17062	86.6
283.22791	22.0
283.26389	5.3
284.17331	6.4
284.23026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1916
Annotation	Koninginin C
Peak:m/z	Relative Intensity
56.14161	0.7
57.03453	7.0
61.16441	0.8
71.01380	11.1
71.32660	1.3
76.65291	0.8
81.36073	0.8
99.04538	5.5
101.28032	0.7
117.68077	0.8
129.33087	0.7
130.65314	0.7
139.16110	0.8
181.15993	40.6
181.17627	2.0
182.16345	0.8
183.13855	2.0
193.16040	1.3
198.56284	0.9
207.59563	0.9
214.10596	0.8
225.15022	1.5
265.18060	4.2
269.16226	0.9
283.19165	100.0
284.19656	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.1
67.74413	2.1
68.83032	1.8
69.94528	8.8
70.59599	1.9
71.01382	5.5
87.00879	2.4
88.04076	5.2
98.21829	2.9
99.05658	2.8
99.98936	5.6
106.12215	2.1
114.05611	2.1
117.00454	7.1
118.00570	3.5
131.08389	2.1
141.99976	100.0
143.00079	7.5
151.02670	2.8
152.03000	2.4
161.47684	2.0
182.09322	2.7
184.01045	32.1
185.01245	3.1
196.05771	11.6
197.06137	2.3
202.02705	10.4
213.08522	3.6
257.94006	1.8
267.06482	2.4
283.26450	38.1
284.01181	39.3
284.06552	2.3
284.12564	7.3
284.15793	2.4
284.18835	2.4
284.26868	11.6
285.01196	4.2
285.06796	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	284.1256
Annotation	HC Blue No. 2
Peak:m/z	Relative Intensity
58.02985	2.0
59.01380	7.3
61.72035	1.1
70.93198	1.3
70.93522	1.4
71.01395	3.1
72.99321	1.3
74.02486	2.2
82.03000	2.8
83.06161	10.4
84.04564	1.6
88.04048	4.8
90.97160	4.9
92.05130	1.3
97.02959	1.4
99.00874	2.3
99.98935	3.0
101.02484	1.2
101.07220	2.0
108.44151	1.0
109.04074	3.7
110.02527	1.1
111.05660	3.0
112.67399	1.0
113.07227	64.4
114.05614	18.4
117.00460	4.4
118.00571	2.3
119.00225	1.4
120.92641	1.2
122.03758	11.0
123.04537	2.8
125.02484	4.7
126.01973	2.1
127.05160	18.2
127.08758	1.3
128.03563	5.0
132.98280	5.5
135.04587	1.5
138.05627	2.1
139.08823	7.9
140.98701	1.4
141.10350	2.2
141.98264	2.2
141.99976	41.1
143.00183	3.9
145.06210	9.5
151.02599	2.2
152.08324	1.8
153.10313	2.3
155.08240	1.2
156.06593	1.5
156.98183	1.2
165.05565	1.5
169.09871	2.8
170.99823	1.9
178.09866	2.0
180.11436	93.8
181.09894	2.8
181.11794	2.7
184.01027	10.8
185.01225	2.5
186.02554	1.2
187.10941	2.7
187.98798	2.4
190.00363	3.2
195.11426	1.2
197.01303	3.8
198.12497	86.3
198.99318	5.7
199.00995	0.9
199.12819	3.7
202.02681	2.1
203.02287	1.0
206.09372	3.0
210.99232	2.3
213.00821	5.8
214.99014	1.8
215.02388	18.7
222.12465	1.3
222.99265	4.6
224.10416	15.3
224.97200	16.6
225.04128	1.4
229.00261	1.7
240.13614	3.3
240.17319	1.8
241.00314	33.2
242.11438	9.6
242.98238	2.5
259.01425	1.4
266.11490	48.2
266.98288	1.5
267.09647	2.0
283.26489	1.6
284.01205	18.4
284.12573	100.0
284.15985	8.6
284.26794	6.9
284.99088	7.3
285.07715	2.3
285.12875	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	284.187
Annotation	(2E)-octenoylcarnitine
Peak:m/z	Relative Intensity
59.01382	6.7
63.26049	0.6
68.40369	0.6
69.03432	0.7
70.03252	0.6
70.26855	2.2
73.04070	0.6
77.58255	0.6
81.03463	7.8
83.02519	0.6
83.05026	2.0
91.76968	0.5
95.05037	2.9
97.06594	26.1
98.06931	0.7
99.04512	1.6
99.05663	0.6
99.08155	1.4
105.34186	0.6
112.07720	0.6
113.09702	0.8
114.05614	10.4
130.08752	1.1
139.08818	1.2
141.05539	0.8
141.10333	0.7
153.12857	5.8
157.08698	1.7
168.10300	2.1
169.09828	2.5
179.10759	5.9
183.15031	2.5
191.14412	1.0
197.11841	34.5
198.12163	1.5
202.98775	0.7
203.92838	0.6
209.11809	2.9
225.16068	1.0
227.13919	0.6
232.50999	0.6
235.13368	7.3
240.17227	1.4
247.94324	0.6
266.17590	2.0
284.16187	4.8
284.18704	100.0
284.26782	3.8
285.19061	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	284.2233
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
51.58047	0.3
57.29178	0.3
64.93151	0.3
104.05706	0.3
137.93446	0.3
184.95837	0.3
196.17084	0.3
196.64523	0.3
210.18686	0.4
266.21268	1.3
284.22336	100.0
285.22702	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	284.2234
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
51.17500	0.2
59.01360	0.3
69.12908	1.5
69.13314	0.6
69.95736	0.2
73.04769	0.2
86.45247	0.2
185.05827	0.3
188.84386	0.2
192.15802	0.2
227.03502	0.7
244.85991	0.3
255.03044	1.1
261.44006	0.3
266.21317	0.5
284.03259	0.8
284.22321	100.0
285.04053	1.1
285.22672	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	284.9932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74540	1.2
58.65086	1.2
59.01393	4.0
67.01904	1.6
69.03460	4.8
69.62411	7.6
71.01382	2.2
75.09927	1.3
81.03461	2.6
90.97142	16.6
96.49092	1.7
97.02972	1.6
113.07159	2.0
118.96613	1.8
122.97641	1.3
123.04540	2.3
125.02438	9.1
132.98215	15.6
140.98709	14.7
143.00273	7.7
144.98174	1.4
153.06909	1.4
156.98146	2.3
158.99777	2.2
160.97685	2.3
168.98169	3.3
170.99785	6.1
173.01317	6.2
181.11513	2.2
182.99759	1.5
185.01361	2.2
186.99236	5.2
192.98154	2.1
196.97719	8.8
197.01373	6.8
198.99275	18.8
200.97229	8.5
201.00790	2.3
210.99309	8.5
213.00832	32.9
213.84230	1.4
215.02380	41.1
222.99243	9.7
224.97183	87.5
229.00253	6.5
239.07399	1.6
241.00313	100.0
242.00667	3.7
242.98248	8.4
259.01193	2.2
266.98233	5.1
284.99268	10.0
285.12885	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	285.041
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
50.38885	0.3
57.03444	0.4
59.01387	0.4
69.09965	2.8
71.01408	0.4
73.02978	0.9
74.97158	0.3
89.67771	0.3
98.21772	0.5
99.04552	0.3
111.00912	1.5
112.77686	0.3
122.03883	0.3
157.06610	0.8
167.05057	1.8
169.06654	1.1
180.05827	0.5
182.03746	5.7
183.04489	0.4
184.05272	0.5
185.04460	0.7
185.06087	10.5
186.06447	0.4
187.04118	0.3
195.04550	2.9
196.05330	3.5
197.02568	0.8
197.06082	5.8
198.03250	4.5
198.06252	0.4
199.03928	0.8
210.03249	1.0
211.04031	10.4
212.04800	8.7
213.05595	11.3
214.05952	0.8
223.04033	2.6
224.04808	9.6
225.05215	0.8
226.02745	20.3
227.03291	1.4
239.03465	2.7
240.01787	0.4
240.04308	15.0
241.05089	47.7
242.05487	3.0
255.03281	0.5
259.11212	1.1
267.03009	10.8
273.04099	3.3
285.04080	100.0
285.16858	3.0
286.04410	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0408
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.37414	0.3
59.01362	0.4
63.02404	1.0
64.24764	0.3
65.00330	3.4
67.71318	0.3
69.06932	3.2
71.61267	0.2
73.02934	0.3
73.41183	0.3
83.01385	1.8
93.03418	0.3
101.06024	0.3
105.03425	0.9
107.01387	5.4
107.02068	0.4
107.09457	0.3
118.98304	0.3
121.02964	0.9
132.02130	0.5
133.02962	27.6
134.03265	0.6
135.04532	0.4
143.05029	0.5
145.02994	0.3
147.04512	0.5
149.02454	3.9
151.00378	8.1
152.00664	0.3
155.05055	0.4
169.06570	0.4
171.04463	0.5
175.04008	4.9
176.04240	0.4
177.01985	0.3
185.06126	0.7
189.05559	0.4
197.06149	0.6
198.03194	1.0
199.04013	4.2
201.01950	1.9
207.55310	0.3
211.03960	0.5
212.04813	0.4
213.05573	1.6
215.03532	1.0
217.05077	2.9
223.04018	0.3
229.05075	0.5
239.03554	0.5
241.05067	1.2
243.02992	1.0
257.04477	0.9
267.03101	0.4
284.26721	0.4
285.04056	100.0
285.17117	1.0
286.04413	6.1
295.12369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
61.83477	1.0
66.44954	1.0
69.20200	1.0
71.13186	1.9
72.00915	10.7
74.02478	15.9
74.35349	1.0
75.41491	0.9
78.55878	1.0
86.57106	1.0
99.92619	1.3
115.45604	1.0
116.05070	46.5
117.05417	1.4
130.06642	13.6
142.06625	13.3
157.07751	2.3
159.09280	10.0
161.04842	2.4
172.00951	1.5
186.05624	1.2
203.08269	100.0
204.08548	4.0
225.06461	61.9
226.06668	3.0
227.13811	1.1
240.67947	1.1
254.55965	1.2
269.05484	2.8
277.17615	1.1
284.26816	2.8
285.08560	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	285.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96247	1.0
59.01361	2.3
70.81832	0.9
71.04256	1.2
71.04587	1.5
79.68569	1.1
84.69247	0.9
96.53097	1.0
109.00304	1.0
125.09828	1.0
129.17523	0.9
130.08740	1.0
183.13910	6.9
193.12367	1.2
199.02036	1.0
202.98836	1.5
211.13428	100.0
212.13724	4.9
239.14220	1.1
241.09901	1.1
285.04050	2.7
285.12531	2.7
285.17300	1.8
285.20627	2.2
286.13184	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99396	0.9
59.01385	1.3
69.03456	1.0
69.72486	4.4
75.99256	0.8
78.63833	0.9
78.91167	0.7
85.90962	0.8
97.40347	0.9
133.02995	1.2
148.45413	1.0
183.13866	7.8
193.12375	2.8
202.98805	1.1
211.13403	100.0
212.13777	5.3
285.04117	2.7
285.17230	1.1
285.20566	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	285.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48006	0.7
59.01382	100.0
64.93169	0.7
69.34938	4.4
69.35348	1.4
83.05013	4.8
83.41212	0.8
96.95992	0.8
98.22485	1.8
202.98793	1.7
217.07585	0.8
225.16058	12.9
228.14343	1.2
285.16379	2.3
285.19073	2.4
286.20273	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.44941	0.5
57.03453	14.7
63.35122	0.4
70.61723	0.8
70.62101	0.8
71.01386	10.9
99.04526	5.6
155.14455	0.8
167.14450	1.3
183.17549	52.6
184.17860	1.8
185.15469	2.0
195.17485	0.7
202.98836	0.5
227.16559	2.7
267.19690	3.0
285.04370	0.7
285.20737	100.0
286.21088	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	285.2437
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
66.21955	3.7
69.96169	14.2
80.54556	3.7
92.92797	6.2
211.20729	3.9
224.92415	3.8
233.10588	3.4
237.22180	5.0
239.23825	59.6
285.04062	5.4
285.24371	100.0
286.24725	4.6
292.03735	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	286.109
Annotation	Carbazomycin H
Peak:m/z	Relative Intensity
55.18697	1.4
56.89014	1.2
59.01373	1.5
61.98816	3.9
62.24905	1.2
69.71250	1.1
71.31271	1.2
71.31429	1.4
81.13734	1.1
94.92538	1.6
100.94083	1.2
117.03618	1.2
133.02975	33.7
134.03729	2.7
137.02434	2.4
139.04076	1.3
161.02460	100.0
162.02765	3.3
170.88536	1.5
178.02704	4.4
179.03481	3.1
199.66420	1.4
237.86932	1.3
286.07864	1.6
286.10910	19.1
287.11337	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	286.1776
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
59.01371	5.8
67.85168	1.9
70.83331	5.6
73.04073	19.8
81.03452	4.4
82.06630	2.8
83.02504	2.5
83.05032	23.8
99.08212	1.9
114.09189	2.1
115.08801	5.0
116.07183	47.1
125.07204	5.7
129.10327	3.7
130.08745	62.5
137.16183	1.9
139.08649	1.8
141.10326	4.4
141.12837	2.3
143.11884	14.5
155.08293	15.5
169.09830	11.5
185.16608	36.7
186.17038	2.2
220.70216	1.8
224.28062	1.8
229.15532	2.0
242.18755	24.5
259.78400	1.6
268.19272	8.7
286.17673	100.0
286.20294	81.0
287.17929	3.3
287.20700	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	286.2026
Annotation	L-Octanoylcarnitine
Peak:m/z	Relative Intensity
54.70967	0.5
55.86858	0.4
59.01391	5.0
61.98843	0.5
70.62701	1.4
72.75486	0.5
83.05025	0.7
88.36577	0.5
97.06618	0.8
99.08167	3.7
143.07150	1.1
153.12805	0.6
197.11833	0.6
223.89128	0.6
224.90935	0.5
226.18120	0.5
268.19128	2.4
268.56287	0.5
284.18808	1.5
286.20270	100.0
287.20706	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	286.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01377	0.8
63.34076	0.7
69.20677	2.4
69.21098	3.8
71.14149	0.6
80.26576	0.7
83.05018	2.8
95.05043	2.4
95.07768	0.8
97.06597	13.4
99.08163	1.1
111.04514	1.6
113.09759	4.2
124.03977	0.7
155.14441	1.5
170.11882	1.2
172.10634	0.6
176.23347	0.7
177.20583	0.6
188.12816	0.7
193.12161	0.7
268.19144	2.4
270.03589	0.7
286.20261	100.0
287.20670	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	286.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01384	0.4
69.03472	0.6
70.87161	0.8
70.87487	0.6
71.05019	0.6
73.04071	1.7
81.03455	4.9
83.05032	32.9
84.05391	0.6
99.08154	5.1
111.08183	0.4
113.09721	0.7
114.09241	1.0
116.07209	1.8
123.40449	0.4
125.07243	0.8
127.08747	0.5
128.18541	0.4
129.10370	0.4
130.08749	12.1
139.11304	1.1
141.12868	1.7
143.11917	0.7
151.11333	0.5
155.08331	1.8
166.12317	0.8
168.13919	0.6
169.09843	0.6
184.13461	1.5
185.16624	5.5
192.63680	0.4
193.72368	0.3
202.14542	1.4
240.19884	0.4
241.14497	0.5
242.18793	2.4
242.20941	0.4
268.19202	8.3
282.68762	0.4
286.17725	7.8
286.20288	100.0
287.17926	0.8
287.20654	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	286.2027
Annotation	(plusmn)-Octanoylcarnitine
Peak:m/z	Relative Intensity
57.03425	0.4
58.57504	0.3
66.51121	0.3
69.60352	0.5
69.60772	1.2
77.61368	0.3
78.05141	0.3
83.05019	0.9
83.23293	0.3
84.02191	0.3
99.04519	1.0
110.06083	0.3
130.08795	0.4
131.96304	0.3
144.35521	0.3
153.12830	0.4
155.14375	0.3
167.14420	1.3
169.12407	0.4
172.13467	0.3
179.13048	0.3
183.13931	2.4
184.13408	0.7
197.11737	0.7
198.14642	0.4
199.13443	0.7
201.05412	0.3
211.13443	1.5
223.29662	0.3
227.12888	1.4
235.13385	0.7
250.18088	1.9
251.18497	0.3
253.14456	1.3
253.60783	0.3
268.19211	6.3
269.19919	0.4
286.20258	100.0
287.20590	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	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.16631	0.4
59.01374	0.8
59.84084	0.4
61.98817	0.5
64.43581	0.4
70.02976	1.3
70.09139	1.6
71.12444	0.4
72.70020	0.4
74.06118	2.5
78.95927	0.5
94.92490	0.4
101.89416	0.5
118.05108	1.5
144.01361	0.4
149.13992	0.4
161.02448	1.2
227.10881	0.5
240.23308	3.1
242.21246	1.7
268.22726	0.7
284.22202	0.7
286.23901	100.0
286.43936	0.5
287.24368	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	287.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	47.3
61.98839	5.5
69.23463	1.9
69.23864	5.3
74.99401	1.6
97.94794	0.7
98.21757	1.6
101.00961	7.5
102.98918	1.1
115.02518	3.2
117.00453	98.3
118.00529	5.2
141.99977	1.8
143.00079	3.8
143.01990	2.5
143.99718	6.4
144.87283	1.3
144.97513	7.5
144.99944	100.0
145.99373	2.9
146.00128	3.0
159.01509	67.0
160.01653	4.0
174.99498	1.3
185.01151	2.3
186.00801	1.9
186.98422	3.9
187.00986	34.1
188.00778	2.0
198.99596	1.6
201.02567	1.9
202.99014	1.8
217.00554	10.0
241.00539	2.6
243.02205	6.3
244.02347	1.0
245.00116	4.1
246.00174	1.0
259.01605	32.2
260.01740	4.3
287.01111	59.7
288.01169	9.6
298.83640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92727	1.8
57.39556	1.7
59.01383	61.6
61.98839	4.0
70.59482	4.6
70.59855	3.9
74.02504	2.1
74.99388	4.1
81.03465	1.9
87.05640	2.0
101.00964	4.7
102.98869	2.3
103.92056	3.4
108.05663	3.6
108.29097	2.1
115.02488	4.5
117.00449	100.0
118.00564	4.4
125.02452	21.0
126.98923	3.8
127.93210	2.0
130.08743	14.3
131.08284	3.3
133.52994	2.1
143.00041	3.1
143.01945	3.1
143.99725	4.0
144.97464	3.7
144.99944	94.5
145.09846	49.4
146.00160	4.3
159.01500	54.6
160.01677	4.0
166.00793	2.5
172.00967	3.5
173.10475	2.5
174.99472	2.6
182.00299	2.6
186.98535	2.5
187.00984	34.2
198.05545	3.6
217.00558	7.9
226.02823	2.6
228.00789	2.2
241.00401	2.9
241.08060	2.0
243.59349	1.8
244.99963	4.3
259.01553	31.3
260.01758	3.4
263.03326	2.6
270.01651	10.7
277.53894	2.2
287.01096	58.1
287.11075	15.7
288.01096	7.3
288.07626	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	287.1293
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
50.89799	4.2
51.45847	4.6
55.01883	5.4
57.03442	7.5
59.01382	100.0
68.34629	4.2
69.06660	53.0
80.96496	6.7
81.03476	7.0
98.00134	8.3
99.00890	99.8
111.00870	14.0
125.02522	9.7
129.07097	17.3
145.06602	21.9
151.11290	18.8
157.06642	8.0
167.07167	6.1
169.12352	92.8
171.08232	6.2
173.06081	61.7
174.06801	6.7
175.11310	4.5
183.13800	7.0
185.09756	10.8
199.14943	12.5
201.13014	6.2
206.05827	8.0
213.11372	33.8
215.14462	18.2
220.22162	5.1
237.60828	5.0
243.10326	5.5
243.13940	72.4
244.14293	7.2
287.09790	5.4
287.12634	75.3
287.15704	9.5
287.18634	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	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.03355	0.5
50.73988	0.5
57.03450	1.4
57.62187	0.6
59.01383	100.0
60.01709	0.7
69.11772	2.2
69.12195	2.8
77.66721	0.6
78.33525	0.5
83.05007	0.5
97.06582	0.8
99.04545	1.8
113.10163	0.7
130.08748	0.5
130.47800	0.6
165.12881	2.3
167.10802	0.9
207.13921	2.0
209.11829	6.8
225.14980	5.6
227.12900	51.7
228.13268	3.4
233.11816	0.6
251.12915	2.0
269.13956	14.6
270.14371	1.0
287.15039	68.3
288.15314	4.0
298.37476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
52.74126	1.0
54.34737	1.5
59.01377	1.0
65.82079	0.9
67.07471	0.9
71.32981	1.1
71.89271	1.0
91.17477	1.0
116.92813	1.6
121.02966	8.4
147.91611	1.0
149.02451	20.0
150.02809	1.2
164.04761	4.7
167.03378	1.0
196.03801	13.5
203.07063	1.5
287.16553	100.0
287.21915	2.9
288.16943	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01379	8.6
59.02591	0.4
69.31598	2.6
71.12025	0.3
74.02480	0.6
86.00108	0.4
88.04051	1.3
90.97160	1.1
114.98863	0.4
119.72388	0.3
128.07172	0.5
130.08749	100.0
131.08223	0.5
131.09091	2.0
132.85318	0.4
132.98195	1.0
139.75780	0.4
141.98245	1.0
142.96605	1.9
144.99908	0.7
145.09853	0.6
157.16933	0.3
160.00677	0.8
160.97714	1.4
162.95641	0.4
166.77271	0.4
172.01479	0.4
174.99275	1.0
184.97662	3.0
187.98776	0.9
202.98727	2.8
227.97701	0.7
228.07240	0.5
244.04950	2.7
244.13017	1.3
246.06541	3.5
260.01718	0.5
265.96283	0.4
288.07672	54.9
289.07986	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	288.1244
Annotation	AC1L9EZE
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	2.5
63.44495	0.4
69.92735	1.4
69.93137	1.0
78.71789	0.4
79.03206	0.4
98.22426	0.8
117.03465	0.9
121.02968	0.8
132.02199	0.9
133.02966	31.5
134.03766	4.7
136.04044	0.4
137.02463	5.8
139.04079	2.2
150.03198	0.9
161.02454	100.0
161.83505	0.4
162.02803	3.6
162.03958	0.6
178.02751	5.6
188.03546	0.8
288.12424	28.0
289.12741	1.4
289.18109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.03978	0.3
56.84141	0.3
59.01375	0.8
61.98816	1.7
67.01881	0.4
70.94791	0.4
70.95102	0.7
77.95119	0.4
81.03455	1.2
92.05053	0.8
93.03451	1.6
107.03825	0.6
108.02174	0.4
108.04568	5.0
109.02963	5.2
126.12919	0.3
127.02843	0.4
134.02492	36.8
135.03293	7.4
136.04054	37.0
137.02467	1.6
137.04411	1.2
148.04056	0.7
149.04857	1.4
176.03520	5.8
177.04144	0.5
190.05125	0.6
216.64462	0.4
220.56815	0.3
279.56601	0.5
288.16064	100.0
289.16400	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2184
Annotation	N-Nonyldeoxynojirimycin
Peak:m/z	Relative Intensity
55.73191	0.9
59.01383	5.4
59.20551	0.9
69.06152	8.7
69.06561	2.2
71.93311	1.0
75.78889	0.9
82.20106	0.9
85.06606	1.4
98.22484	1.8
99.08200	1.9
109.02969	1.0
121.85103	1.1
132.27908	1.3
174.15837	0.9
198.48323	1.2
259.10666	1.1
270.20703	4.5
286.20154	2.2
288.21838	100.0
289.07193	1.7
289.22058	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.9
69.86129	2.9
69.86514	2.2
72.69788	1.0
85.47534	1.2
87.00877	10.4
104.05900	1.2
126.98847	3.7
128.03534	1.7
129.00467	1.8
130.08739	6.9
131.08235	2.2
131.09126	3.9
132.98225	1.6
142.96634	53.5
145.09854	2.2
148.04404	7.7
157.95319	5.6
160.97697	20.3
172.00983	1.3
174.99236	15.2
175.96413	4.0
181.99446	2.1
184.97682	77.4
185.98024	1.7
198.99265	4.4
199.09836	1.2
201.00858	2.1
202.98747	100.0
203.99043	1.9
225.90901	1.2
226.98715	5.6
244.99834	4.4
246.97791	2.3
289.08087	5.1
290.05386	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	289.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01244	1.2
71.01394	14.8
71.31002	2.5
72.99319	24.8
73.87691	1.4
74.99395	3.1
78.95915	41.6
80.99075	1.3
89.02457	2.6
92.96015	2.7
96.96982	1.9
102.98907	1.3
114.98914	18.4
115.00386	45.4
117.00500	1.8
133.01451	100.0
134.01746	1.7
148.95030	8.9
157.93210	1.3
172.99448	16.9
184.99458	1.9
186.97374	46.0
187.97505	4.2
190.96068	7.9
215.00475	9.6
224.15897	1.4
228.98424	25.4
289.01743	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	289.072
Annotation	Epicatechin
Peak:m/z	Relative Intensity
57.03449	6.8
59.01382	1.9
63.26467	0.7
65.40344	0.7
69.03468	1.4
70.64759	0.8
70.65154	2.1
78.08848	0.6
80.02702	1.0
81.03458	6.2
83.01385	8.3
83.05034	0.7
84.51756	0.7
93.03469	3.5
95.01392	2.5
95.05030	9.0
97.02956	17.0
99.04542	0.7
108.02173	2.2
108.16034	0.7
109.02959	59.5
110.03318	0.7
111.04500	0.9
115.04019	1.6
117.03446	0.9
121.02955	7.5
121.76453	0.7
122.03800	3.9
123.04535	39.8
124.04798	0.9
125.02457	33.8
126.02759	0.7
133.06573	1.0
135.04546	4.2
137.02451	16.9
138.03239	1.5
139.04007	7.1
145.02940	3.4
146.03680	3.2
149.02437	6.7
150.03212	2.7
151.02878	1.3
151.04025	22.3
157.06650	0.7
159.04529	6.7
160.05296	4.0
161.02444	2.6
161.06093	11.3
162.03259	3.5
163.03984	1.9
164.01157	7.1
165.01939	9.3
166.02634	1.0
167.03491	3.4
173.06061	2.4
174.03290	0.9
175.03999	4.4
175.07695	3.8
177.05565	1.3
179.03506	13.2
185.06055	2.6
186.06836	0.8
187.03998	9.7
188.04781	8.6
199.07571	1.2
201.05592	2.1
202.06372	5.0
203.07153	26.1
204.07500	1.1
205.03253	1.2
205.05083	16.2
212.04868	0.8
221.08218	9.4
227.07047	3.4
229.04970	0.8
230.05795	2.2
231.02922	1.2
245.08194	38.2
246.08513	2.6
247.06084	2.9
271.06177	2.5
289.07187	100.0
289.16241	3.9
290.07568	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	289.0754
Annotation	Chloroxuron
Peak:m/z	Relative Intensity
50.46819	0.3
59.01371	0.6
63.96238	0.8
66.31127	0.4
69.05359	3.4
71.05024	1.2
79.95738	32.9
80.96523	9.6
82.98782	0.3
84.21926	0.3
86.93191	0.3
93.03432	0.5
96.96001	0.3
97.02905	0.3
97.06612	0.3
98.22584	0.6
109.06564	0.6
120.94956	0.3
120.97970	0.4
157.63127	0.3
172.99144	10.2
187.00684	0.5
187.99873	0.6
188.01489	6.8
188.03162	0.4
189.01906	0.4
209.11842	3.5
218.33643	0.4
271.06448	4.6
272.06729	0.4
274.05139	0.6
289.07526	100.0
290.07867	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	289.1812
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01406	0.7
69.46359	0.5
71.33118	0.8
71.33472	0.5
75.13868	0.5
229.15926	4.1
257.15451	9.9
289.18106	100.0
290.18478	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	289.2176
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
52.55804	4.1
53.01124	4.5
61.98833	8.3
67.47816	4.9
69.39964	33.5
70.50495	4.5
91.23904	4.8
98.22545	4.4
113.16422	3.9
119.05244	4.0
156.49867	4.4
268.14996	4.7
289.18640	3.8
289.21741	100.0
290.22189	7.8
304.54108	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	290.104
Annotation	Obscurolide A1
Peak:m/z	Relative Intensity
52.33043	2.0
59.01365	2.2
63.16829	2.3
71.32549	2.6
71.32919	2.5
91.05561	4.1
96.96024	2.6
98.06097	4.8
99.04544	10.0
164.07195	3.1
202.12401	100.0
203.12782	4.1
212.62627	1.9
228.10201	2.5
246.11356	14.0
252.90442	2.3
290.10629	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	291.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49003	0.2
57.62269	0.2
59.01384	0.5
59.96717	0.2
60.97498	0.6
61.98810	0.3
64.25332	0.2
67.53378	0.2
70.63390	0.5
74.99063	1.9
75.96206	0.2
80.29231	0.2
83.37825	0.2
90.53265	0.2
93.00146	0.7
102.33121	0.2
103.01479	0.3
121.02965	0.7
134.99397	0.4
137.18019	0.2
141.51086	0.2
149.00946	2.2
161.06358	1.2
165.01978	0.2
192.98128	1.6
206.99734	0.6
209.01265	3.7
209.04558	0.2
210.01172	0.3
217.07227	2.2
225.00816	0.7
275.05948	0.7
289.07489	2.8
291.09097	100.0
292.09216	9.3
309.10263	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59607	0.3
58.40980	0.3
59.01381	0.4
63.96243	0.9
64.99232	0.3
69.47799	1.6
69.48211	0.6
70.59991	0.4
71.05043	0.4
79.95358	0.4
79.95741	14.5
80.96523	100.0
81.03477	0.4
109.06571	0.4
145.08664	0.3
171.10300	0.7
172.99127	4.2
174.97144	0.4
188.01476	2.3
227.12964	0.5
273.07834	0.4
291.09097	84.8
292.09415	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	291.1602
Annotation	7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
Peak:m/z	Relative Intensity
57.03447	25.3
59.01371	26.1
64.10361	6.4
69.28073	59.3
70.51344	6.4
94.14890	6.8
97.06593	6.8
110.52279	6.7
121.02954	19.0
126.06726	6.9
142.69911	7.6
156.13863	11.1
157.02362	7.2
178.09981	7.7
181.79366	6.1
187.14871	13.9
189.13010	7.4
190.10066	8.1
203.14487	8.9
205.16090	17.9
209.04660	8.0
229.15944	26.8
247.17136	20.7
291.16306	12.3
291.19583	100.0
292.19934	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31966	0.6
57.03437	2.3
58.49347	0.6
59.01391	3.3
71.90727	0.6
83.05020	1.6
93.03477	1.1
95.05032	1.5
98.21604	1.2
111.08168	15.4
137.09767	0.8
149.09702	0.9
167.10782	2.6
177.12831	2.7
179.10826	2.1
195.13918	9.2
195.15567	1.1
201.66521	0.7
229.00972	0.6
247.20706	3.4
273.18622	1.0
291.19687	100.0
292.19995	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16201	0.8
57.03435	1.3
59.01371	2.4
71.05028	21.7
79.51870	0.7
83.05055	1.2
97.06612	5.6
111.08213	3.0
113.23154	0.8
127.05193	0.7
131.32530	0.7
137.09793	1.6
163.14923	1.1
165.12938	1.2
181.12373	2.1
195.13953	2.0
200.45027	0.8
207.14119	1.0
217.16010	0.9
219.13925	2.5
235.17111	3.0
247.20549	1.9
273.18506	1.6
291.19693	100.0
292.20010	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35162	0.6
57.03454	3.6
59.01387	0.8
60.00554	0.6
67.58385	0.6
69.06054	7.2
70.85402	0.6
71.32890	0.6
82.44689	0.6
92.61665	0.6
93.07114	1.6
97.06585	2.4
111.08167	1.4
111.84934	0.7
113.09714	2.4
121.10250	16.2
123.08205	1.1
125.09732	6.1
139.11322	0.8
141.12831	1.3
146.59827	0.7
147.08176	1.1
165.12901	1.2
177.12848	1.0
185.11855	14.3
186.83025	0.6
195.13974	0.9
197.11882	4.4
209.11795	2.3
211.10133	0.7
211.13373	2.2
223.13316	1.1
247.13461	0.9
247.20773	1.3
273.18533	1.2
285.02832	0.7
289.18027	0.7
291.19684	100.0
292.20023	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01372	1.2
68.30253	0.4
70.44871	1.2
75.31746	0.4
84.99545	0.4
95.05023	0.4
97.06590	0.6
119.05070	0.6
121.02975	0.7
125.06104	0.8
141.01746	0.5
148.08913	1.2
150.10509	1.0
151.11368	0.5
163.11267	1.5
165.12859	22.8
166.13254	0.9
176.12067	0.9
177.12985	0.5
191.14346	0.7
193.12352	0.7
247.20680	12.5
248.20912	0.6
263.20218	0.6
273.18637	6.1
291.19681	100.0
292.20013	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	292.1305
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
51.46611	0.7
59.01381	5.0
70.35790	2.6
71.01379	2.3
72.00913	3.0
73.04073	7.9
87.05650	5.5
88.04051	4.6
89.02469	2.6
91.05533	4.0
97.04093	4.0
99.05632	2.2
101.02458	1.1
101.07204	0.9
103.15497	0.8
107.04935	0.8
113.02465	1.1
119.03514	1.2
126.06740	12.2
127.05136	8.5
129.06703	1.3
130.08797	1.3
144.07803	100.0
145.08157	1.3
147.04526	15.0
164.07175	34.8
165.07559	1.4
177.10341	2.8
193.05238	0.7
202.81764	0.7
203.08376	0.7
248.14008	3.4
292.13052	74.3
293.12756	3.7
293.15231	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	292.1306
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
50.74160	0.9
55.74965	0.8
58.02988	1.3
59.01385	10.3
69.75234	4.9
70.73001	0.9
71.01392	8.8
71.02509	17.1
72.00895	1.5
72.99303	1.0
74.02441	1.4
78.94176	1.1
78.95929	1.3
82.02997	3.1
83.06151	2.8
84.04562	6.4
85.02971	3.7
87.00902	1.0
89.02451	7.0
91.05548	5.8
95.01424	1.0
97.04079	1.6
99.00903	1.4
101.02464	5.8
101.07212	10.1
102.05632	1.2
109.04096	7.7
111.05635	6.0
113.02442	4.5
119.03529	3.2
119.05038	2.2
123.99789	1.0
125.03616	2.1
127.05149	56.4
128.03575	8.0
128.05504	1.2
129.06670	1.5
129.10358	2.9
131.07158	1.9
135.04524	1.3
138.06749	18.4
139.05217	1.2
144.11430	7.5
145.06215	22.4
145.09857	4.2
146.06116	10.5
147.04550	4.1
156.07805	26.8
156.11430	2.3
161.04640	1.1
163.08772	1.5
164.07210	8.2
209.99707	1.2
213.10361	18.2
214.08780	1.3
230.13017	6.8
231.11382	8.0
248.14056	7.6
256.10880	1.2
274.12006	47.5
275.10025	1.5
275.12653	1.9
292.13095	100.0
292.16653	21.4
293.12613	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	293.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.4
57.03442	4.4
59.01385	14.7
67.01932	3.0
68.99825	1.8
69.03450	9.7
69.54395	7.7
69.54810	4.1
71.01382	15.8
80.96536	2.8
81.03449	3.8
83.05029	4.2
85.02967	3.0
89.02466	12.8
91.01897	4.4
91.05565	2.6
93.03452	14.9
96.96030	5.3
97.02959	4.6
99.00888	15.2
105.07107	8.3
107.05032	36.3
111.00891	3.7
115.05552	26.8
117.03493	2.7
117.07104	9.5
119.05025	8.9
121.02949	6.0
123.04546	2.1
123.08260	2.7
125.02461	5.7
131.05034	9.6
133.06604	92.8
135.00896	5.3
135.04564	2.6
143.05025	17.4
146.03737	7.4
147.04518	2.0
149.02409	2.9
151.04018	47.1
151.11307	8.3
159.04521	22.8
161.06090	100.0
162.06415	5.9
164.07132	4.4
177.05537	4.1
179.10747	3.2
187.04015	6.2
195.10281	3.7
205.03310	2.4
205.05069	26.9
205.16083	3.3
215.12064	2.3
223.09769	6.8
231.03046	9.5
249.04039	62.3
250.04283	3.4
250.26892	2.4
293.02994	37.6
293.10846	2.6
293.14120	4.6
313.93069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1146
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.98177	1.1
59.01385	16.4
70.49429	3.6
71.01392	7.4
71.02512	17.4
72.00901	7.5
84.04543	6.2
85.02953	4.2
89.02443	7.6
91.05537	8.3
101.02435	4.6
102.05622	28.2
103.05508	1.6
103.97543	1.3
113.02416	2.6
113.06046	1.7
113.07232	16.0
116.74005	1.1
119.03481	4.4
119.04955	1.8
127.05135	5.6
128.03555	64.1
129.10345	2.8
131.07127	3.3
135.28966	1.2
145.07249	1.3
146.04604	8.3
146.06087	4.5
147.04547	24.4
148.04837	2.1
160.47742	1.2
163.03918	1.1
163.08792	3.1
164.07182	100.0
165.07495	3.5
169.09610	1.4
186.09312	1.4
188.10823	9.7
231.11420	8.2
232.93756	1.2
249.12465	33.1
250.12729	1.9
275.10413	36.5
276.10663	1.9
293.11469	65.3
293.15045	2.0
294.11658	3.8
311.99475	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	293.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
56.24649	0.8
58.00590	1.8
59.01387	42.0
70.64310	1.7
70.64644	1.0
71.01390	23.6
72.99305	2.8
73.02937	1.8
75.00832	0.7
83.01397	1.6
85.02965	6.3
85.06602	17.5
87.00856	1.6
89.02460	20.8
95.01380	1.7
100.00424	0.7
101.02460	15.3
107.05009	2.1
113.02465	8.8
113.06094	4.0
115.07643	2.3
119.03529	9.9
127.07660	2.0
130.08792	3.5
131.07162	70.3
132.07474	1.7
141.10384	0.9
144.66269	0.7
148.06377	0.9
148.26874	0.7
161.04549	0.9
173.08154	1.7
179.05669	1.2
190.60861	0.7
194.16585	0.8
242.46754	0.7
293.12445	100.0
293.15088	4.5
294.12762	6.1
302.95599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.151
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
57.51973	1.0
59.01387	10.0
59.56832	0.6
69.09727	1.3
69.10136	5.2
71.01392	4.8
73.02928	0.7
73.04069	2.1
85.06591	2.5
89.02450	3.3
101.02458	2.3
106.04235	1.2
107.05040	20.1
113.02468	1.7
113.06050	0.9
119.03504	2.0
119.05043	3.4
130.08754	50.7
131.07161	14.3
131.09100	0.8
134.06099	3.4
141.10359	12.5
143.11940	3.6
187.10890	8.4
214.64178	0.8
230.18814	0.7
232.13437	4.2
249.16035	1.7
293.12360	17.4
293.15149	100.0
294.12671	1.2
294.15485	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	293.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74967	0.7
61.98827	0.8
69.41240	5.8
96.96024	20.7
121.02923	1.0
145.10588	100.0
146.10922	2.8
148.05336	2.2
149.06088	19.1
180.04300	2.5
193.15939	0.8
195.47543	0.9
220.14720	2.6
221.15527	4.1
236.10497	2.9
273.13678	0.9
293.15445	30.9
293.17960	7.0
294.16153	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	293.1763
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.61121	0.2
55.16430	0.3
55.48174	0.2
57.11375	0.4
61.98827	0.4
70.64900	0.6
71.01390	7.7
90.12534	0.2
102.24895	0.2
111.14814	0.2
125.06091	0.3
127.07664	0.9
148.05319	1.8
151.07671	0.7
164.08437	1.6
177.09230	6.3
177.10689	0.5
178.09581	0.3
190.10081	0.4
192.11578	8.2
193.12059	0.9
205.12349	8.3
206.12755	0.6
207.13995	1.9
217.08658	0.5
218.09485	2.1
220.14705	51.3
221.15475	100.0
222.15822	6.6
235.13452	1.3
236.10556	69.7
237.10934	4.8
253.14520	0.3
293.17609	6.5
294.18008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
52.87823	5.6
59.01373	9.5
59.03202	6.0
60.04635	5.9
61.50272	6.8
61.98833	31.3
66.07999	7.4
68.05682	5.9
71.32167	8.5
71.32578	6.9
103.55610	8.2
106.03560	6.6
106.92023	6.9
121.03003	11.2
152.91730	8.0
160.09862	7.0
181.55780	7.4
183.13803	14.2
186.12997	7.6
211.13422	10.2
293.17813	11.8
293.21204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.0
61.98832	2.0
70.06844	1.4
72.47802	1.7
95.05037	3.2
111.08142	2.6
135.11807	31.3
136.08937	4.3
141.88928	1.6
155.58578	1.7
157.08722	100.0
158.09036	3.8
171.10245	1.6
177.09151	3.1
177.16428	1.9
192.11557	3.8
193.15933	7.3
220.14641	4.5
221.15456	8.5
223.17050	1.8
228.90726	1.7
231.21170	5.6
236.10541	4.9
249.18633	19.9
275.20175	83.7
276.20526	5.7
293.17749	10.4
293.21222	94.4
294.21591	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01383	1.0
69.24254	4.5
75.81814	0.6
76.49661	0.6
96.96050	0.9
97.06566	1.3
98.21801	1.1
113.09689	0.5
125.09759	5.2
141.12837	1.3
149.09741	1.4
165.13013	0.6
185.11836	9.7
188.00900	0.6
197.11862	3.5
220.14656	1.0
221.15456	2.0
236.10533	1.5
275.20276	0.9
293.21240	100.0
294.21497	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.3
66.00931	2.0
71.01382	3.1
71.09146	3.9
72.99320	2.1
91.17210	2.6
96.96017	2.0
121.02958	2.3
139.11314	4.2
153.12891	2.3
191.18050	5.0
193.16000	2.5
220.14693	6.6
221.15572	15.1
224.68416	2.1
236.10561	8.9
293.18091	3.3
293.21246	100.0
294.21664	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
68.93341	1.1
71.32568	2.6
76.14632	1.5
86.99878	1.2
105.46918	1.3
121.10242	56.1
125.09743	2.3
127.11290	2.0
171.10281	99.8
172.10637	2.2
185.11833	4.7
197.11830	1.6
231.21104	5.5
263.76593	1.3
268.17477	1.5
275.20178	100.0
276.20386	6.6
293.21240	64.5
294.21506	5.8
313.89603	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22566	0.8
59.01381	1.0
70.35931	3.2
111.08156	1.5
115.25043	0.9
135.01369	0.9
175.65045	1.0
179.14401	1.4
195.13916	15.4
195.15578	1.7
196.14589	1.6
205.15979	1.0
223.13376	13.3
228.13626	2.3
249.22348	0.9
256.13199	4.8
265.21698	1.4
275.20248	8.7
293.21240	100.0
294.21500	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91693	0.4
61.59767	0.4
70.95282	1.2
81.03477	0.5
149.09756	0.6
169.68486	0.5
172.28191	0.5
181.15985	1.0
225.14934	1.2
249.22192	1.1
259.77628	0.5
275.20059	0.6
293.21243	100.0
294.21579	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69018	0.5
53.66227	0.4
57.03453	4.8
59.01394	2.1
61.98851	0.7
69.09285	1.1
69.09683	3.3
71.01376	0.8
85.06613	0.8
94.92940	0.4
97.06578	0.9
106.79245	0.4
113.09747	16.7
125.09765	0.9
139.11316	1.8
141.12921	0.5
149.09740	0.8
167.10831	2.2
177.12904	1.0
179.10843	1.4
179.14508	0.4
185.11797	2.9
195.13937	2.8
197.11850	0.6
208.96591	0.5
220.14786	0.8
221.15479	1.2
236.10497	0.7
249.22260	1.9
293.21265	100.0
294.21539	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61929	0.8
55.57121	0.8
59.01368	2.1
60.48072	0.8
61.98829	1.2
69.03449	0.8
69.51259	0.9
71.32514	1.0
96.95998	1.0
165.12810	1.9
181.06599	0.8
193.16049	1.4
211.00858	1.5
220.14694	2.0
221.15431	4.5
223.17043	1.1
235.17039	5.4
236.10576	3.6
275.20154	7.0
276.22882	1.0
291.07181	1.4
293.08911	40.7
293.18079	3.3
293.21228	100.0
294.09055	4.3
294.21570	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	295.0463
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
58.55935	2.4
59.01382	30.8
62.16500	2.1
67.01900	2.3
69.19211	2.3
71.01386	40.6
71.02502	2.4
72.99325	4.4
79.05546	2.7
81.03461	9.6
85.02970	5.8
87.00871	2.3
89.02457	23.1
92.05600	2.6
95.01402	2.8
95.05025	2.5
96.96986	2.7
97.02968	2.5
99.00878	18.7
101.02451	10.1
107.05033	7.9
109.02962	5.4
109.06611	3.6
111.00900	3.9
113.02446	6.9
115.00378	36.1
115.04022	3.3
119.03527	8.3
119.05119	6.3
119.08671	75.7
121.06627	4.3
121.92044	2.5
122.03736	3.1
123.46021	2.4
125.02451	33.9
126.98827	3.1
129.15031	2.6
131.03770	2.6
132.04100	4.3
133.01447	67.1
134.01797	2.3
134.03767	3.3
135.04543	59.1
135.08183	6.6
145.06599	8.2
147.04558	11.4
148.05350	4.2
151.04027	6.5
152.03558	11.5
159.02866	2.7
161.04507	3.3
161.06151	3.5
163.03975	3.0
163.07657	100.0
163.11304	9.1
164.07956	2.9
165.05525	3.7
179.03531	17.4
179.05605	4.1
180.06679	9.5
203.59807	2.3
207.06598	20.5
207.10428	2.9
208.09770	5.5
251.05569	22.3
295.04608	11.8
295.10260	23.6
296.10724	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	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01368	0.8
69.48510	5.1
90.17543	0.8
99.08174	0.9
139.11319	1.5
155.10777	3.2
167.00078	0.7
171.10283	27.6
172.10614	0.8
183.10263	15.2
195.13879	1.3
277.21729	40.0
278.22128	2.8
295.22787	100.0
296.23099	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00984	0.5
57.03449	2.9
64.42856	0.4
70.95993	0.8
82.66234	0.4
96.81893	0.4
102.48369	0.5
125.09765	2.7
141.12869	4.8
141.39784	0.4
149.06705	0.5
151.11285	0.6
185.11818	2.0
263.46072	0.6
295.22803	100.0
296.23126	8.1
308.46964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32911	0.3
57.03452	2.0
69.34565	0.5
69.34966	1.7
111.08134	0.5
113.09737	3.0
124.76192	0.3
127.11304	0.8
165.12852	1.2
179.14465	1.3
181.12361	0.8
203.79921	0.3
251.23753	1.3
277.21826	0.7
295.22778	100.0
296.23117	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03427	1.1
59.01362	1.7
70.89027	0.8
78.78836	0.6
105.54849	0.5
113.09727	2.7
116.78339	0.5
134.42345	0.5
147.89034	0.5
177.12779	0.8
179.14394	1.1
181.12350	0.6
185.22177	0.6
195.13905	20.6
196.14259	0.9
251.23869	0.8
275.70764	0.5
277.18304	1.3
277.21732	21.5
278.22110	1.8
295.22778	100.0
296.23117	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	295.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53702	1.4
55.21520	1.5
57.03423	2.3
70.36364	1.5
70.36717	4.8
71.17672	1.0
88.40953	1.4
100.31084	1.6
125.09707	2.1
151.11246	1.6
155.14412	3.5
171.10245	6.1
175.31209	1.2
178.68477	1.3
251.23811	2.5
266.44214	1.2
277.21704	8.1
295.22806	100.0
296.23071	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11282	3.3
57.94909	4.3
71.32210	4.0
94.36011	3.5
102.10895	3.6
150.55089	3.8
162.61925	3.7
277.21875	5.9
290.97049	3.8
295.22806	100.0
295.26151	5.0
296.23099	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.61282	1.5
54.39668	1.3
54.66876	1.4
59.01369	1.6
61.98829	2.3
71.94647	1.3
76.22050	1.5
98.22512	3.7
98.95586	3.2
130.27969	1.5
141.12862	6.5
141.13849	1.4
151.64111	1.4
155.14447	3.0
159.97562	1.6
249.22183	9.1
295.17712	3.2
295.22797	100.0
296.23080	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.43875	1.6
62.74211	1.8
71.26665	3.9
104.83669	1.7
133.95346	1.7
171.10275	5.4
179.48392	1.9
183.13910	61.5
184.14232	1.9
262.05859	2.0
267.35092	1.8
277.21701	13.1
295.19363	3.9
295.22787	100.0
296.10593	2.1
296.23132	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
67.13056	0.9
70.45261	1.8
70.45631	1.9
71.37138	0.7
95.89075	0.9
97.43236	1.2
113.09712	2.2
140.08908	0.9
164.77205	0.9
179.14307	1.0
183.13905	3.1
193.43758	0.8
195.13914	26.2
277.21750	23.1
278.22095	2.0
295.22791	100.0
296.23215	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	296.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.6
59.01373	3.1
69.06548	4.8
69.06971	4.2
71.01402	1.4
81.03460	2.5
83.05015	1.6
97.06605	13.7
109.06619	1.0
123.08183	12.9
125.06082	2.4
134.04764	1.0
134.98080	0.9
138.83238	0.9
139.11322	1.4
149.09689	0.9
179.10805	1.0
179.14407	8.7
183.10287	25.0
184.10667	1.0
205.12317	2.2
223.13396	15.1
252.19754	1.0
261.14957	3.3
278.17880	1.7
296.18698	100.0
297.19040	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53909	5.5
70.54278	5.4
78.32930	2.3
93.43472	2.5
104.18994	2.7
126.89812	2.8
130.08752	72.2
131.09103	3.0
141.43951	2.7
171.16566	2.3
225.19711	5.1
251.45071	2.9
260.78018	2.6
269.18713	100.0
270.19113	4.3
298.49597	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	296.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13223	0.4
55.58341	0.4
59.01390	3.3
64.76715	0.4
66.67116	0.4
70.43955	1.3
71.01376	1.2
71.29860	0.4
80.93463	0.4
83.05029	1.4
91.52502	0.5
99.92442	0.4
103.45859	0.5
115.20870	0.5
132.31325	0.4
136.49559	0.4
164.24756	0.4
222.18654	0.6
250.21858	1.1
278.21371	0.5
296.22324	100.0
297.22629	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	297.0981
Annotation	Picein
Peak:m/z	Relative Intensity
52.85766	0.2
54.06339	0.2
57.03462	0.4
59.01386	0.4
70.46163	0.3
70.46496	0.3
85.06599	0.3
93.03475	0.6
95.05090	0.3
107.05051	0.7
109.02962	1.2
113.06095	0.6
114.87740	0.2
118.35297	0.2
121.02971	0.2
130.08694	0.2
134.03758	1.9
135.04538	100.0
136.04869	3.3
144.51973	0.2
153.09285	0.4
155.98404	0.2
157.05112	0.3
159.04524	0.4
161.02396	0.3
161.38562	0.2
187.04045	0.4
189.48068	0.2
218.45534	0.2
244.10936	0.2
267.06680	0.4
282.09039	0.4
297.07663	0.9
297.10193	0.7
297.13370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39969	2.6
51.45197	2.0
57.03444	4.6
59.01382	4.9
60.37827	2.1
65.03938	3.9
67.24953	2.1
68.52161	2.5
71.01416	2.8
71.05007	9.0
71.18315	5.1
73.69597	2.1
80.09676	2.4
80.98775	2.2
83.05046	3.2
84.09054	2.2
88.04079	3.1
91.05536	9.1
93.03452	15.9
93.05509	2.5
96.79257	2.2
97.06595	5.0
103.05525	3.5
109.02922	2.8
119.05039	45.7
121.02969	3.2
121.06622	14.0
123.04522	15.4
131.08670	15.4
135.04491	6.3
136.05278	10.4
137.06102	3.7
147.08180	2.4
151.07657	100.0
152.08063	3.3
159.08171	22.1
161.09737	2.7
163.11292	3.7
175.11272	2.7
176.08485	3.9
177.09244	22.6
191.09206	3.8
191.10803	45.8
195.10255	8.8
209.15639	2.9
221.08194	10.2
253.08673	5.2
253.14452	5.1
293.51819	2.7
297.07602	5.6
297.13504	17.6
297.24261	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	297.186
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
62.22716	0.3
63.74451	0.2
71.31959	0.5
72.38433	0.4
82.18922	0.2
92.02106	0.2
127.59259	0.2
169.74490	0.3
200.98088	0.3
207.64093	0.3
226.09998	0.6
227.10904	0.3
239.10829	0.9
240.11438	0.3
253.12317	1.7
254.13150	3.0
267.13901	13.5
268.14294	1.0
281.15497	15.1
282.16251	67.7
283.16589	4.9
286.12213	0.3
297.18604	100.0
298.18930	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	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72025	3.7
83.47314	0.9
84.79965	0.9
116.59892	0.9
125.09738	0.9
125.92038	1.0
127.11269	2.3
152.54454	0.9
153.12753	1.5
164.95706	0.9
171.10291	11.1
172.72021	1.1
183.01187	2.3
204.44856	1.0
239.14426	1.9
279.23322	12.4
280.23618	1.4
297.15424	6.0
297.24356	100.0
298.24704	10.6
318.19843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
56.46844	0.4
59.01379	1.0
62.17558	0.4
68.75151	0.4
70.97218	1.0
87.93491	0.4
89.14168	0.5
118.38652	0.4
137.09721	0.7
139.11307	0.4
141.12856	1.5
155.10783	14.3
155.14413	0.4
156.47774	0.4
162.23239	0.4
171.10306	1.0
183.01207	0.6
192.95026	0.5
193.43506	0.4
222.60791	0.4
261.22122	0.6
268.31458	0.5
279.23325	14.5
280.23578	0.8
297.24362	100.0
298.24686	7.3
298.27884	0.8
309.45096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.2
65.47334	0.6
70.10765	1.2
70.23624	0.6
71.01389	9.2
72.99323	1.3
74.02471	0.8
76.59044	0.5
77.29752	0.5
81.03460	1.2
83.01408	0.8
83.05031	1.5
84.87677	0.5
85.02969	1.8
85.07699	0.6
86.46201	0.6
87.05628	0.7
88.04050	2.7
89.02454	8.0
89.03975	1.4
90.13771	0.6
92.05071	21.1
93.03475	3.3
93.05314	0.8
94.80048	0.6
95.74370	0.7
99.00902	1.5
101.02477	4.7
107.05036	0.9
109.01716	1.1
109.02963	1.2
112.98856	1.2
113.02508	3.9
113.91584	0.6
114.05646	5.6
119.03502	3.5
121.02983	2.8
123.04572	1.8
125.02448	1.5
130.08766	0.9
133.03015	1.3
135.03290	3.7
135.04465	0.7
136.04060	100.0
137.02490	5.6
137.04410	2.5
149.02461	3.2
150.05656	2.6
151.04036	3.1
152.04338	1.1
167.01692	1.1
167.03474	1.0
177.01949	18.7
177.03519	0.9
178.05154	4.5
179.03513	1.8
183.11449	0.8
195.03056	0.9
196.03354	1.4
197.03012	0.6
201.12431	1.5
217.00308	3.3
223.10872	0.8
227.05640	2.8
237.04158	1.0
239.02010	1.0
254.18938	0.7
255.10292	2.1
281.11496	1.2
298.09213	0.7
298.14288	0.9
298.17697	1.5
299.04153	1.8
299.08014	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	298.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30417	0.5
52.33261	0.5
57.03437	0.8
59.01392	2.9
64.46187	0.7
64.67085	0.7
81.03462	1.7
90.65224	0.6
97.06589	1.1
99.04488	0.5
107.11720	0.5
125.09760	7.7
174.99294	0.9
179.54120	0.5
181.16029	3.3
185.11856	22.3
186.12041	0.6
217.00253	3.4
225.14989	55.6
226.15314	3.0
237.15025	1.1
263.16525	4.8
280.19235	1.4
297.78278	0.6
298.20282	100.0
299.20615	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	298.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.55138	0.2
65.90359	0.2
70.06661	0.6
93.67264	0.2
120.42002	0.2
128.12329	0.2
217.00323	0.4
257.82187	0.2
280.22720	0.4
296.22293	0.4
298.23892	100.0
299.24234	7.1
299.27695	0.3
299.39636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01385	4.6
64.90825	0.9
65.00028	1.2
65.00327	12.4
65.13554	0.9
69.09946	1.9
69.10342	7.2
73.97643	0.8
84.75343	0.8
89.96271	0.8
108.02184	0.9
108.99257	1.1
110.00084	1.5
113.09692	0.8
117.03477	2.0
118.79810	0.9
124.54601	0.9
128.62537	0.9
131.03767	3.3
132.04544	1.8
132.51907	0.9
136.97812	1.4
136.98819	19.1
149.99614	1.6
158.03859	1.0
164.01205	2.1
165.99084	1.2
183.04486	2.3
184.05261	1.4
186.03262	2.2
199.04077	1.3
200.04813	3.6
211.04022	2.1
212.04779	3.7
217.00363	4.4
227.03525	2.9
228.04294	1.9
255.02988	1.3
256.03607	1.3
283.02490	4.3
284.03271	100.0
285.03604	6.1
299.05624	33.7
299.14484	1.0
299.18661	2.8
300.05869	2.7
300.12582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01391	5.9
69.26031	0.5
70.48093	1.7
70.56974	0.6
71.01379	1.0
72.00925	0.5
78.95923	0.7
93.03474	95.0
94.03810	2.5
114.05659	0.7
119.38574	0.5
130.08740	1.1
131.08334	0.8
137.02467	100.0
138.02792	3.1
147.04601	0.8
164.07214	0.9
166.12759	0.6
171.02650	0.9
174.99261	1.6
185.59607	0.5
187.10963	1.4
207.92461	0.7
217.00343	5.4
217.11954	2.2
228.07042	0.6
230.08873	1.0
269.10068	2.2
285.65631	0.6
299.01926	1.1
300.01141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01877	1.3
57.03432	1.3
57.63194	1.0
58.00590	3.6
59.01383	87.9
63.63367	1.0
69.69644	3.0
69.70036	2.2
71.01385	39.2
72.99306	3.0
73.02936	2.0
83.01405	1.6
85.02962	8.7
87.00887	2.0
88.04038	4.4
88.44197	1.2
89.02448	37.9
93.03469	26.0
95.01376	5.3
98.21825	1.5
101.02445	19.5
104.06630	1.2
104.44741	1.1
108.02208	1.0
109.02951	1.5
113.02464	16.8
114.05592	2.3
119.03504	13.1
121.02962	3.1
123.04488	1.1
129.10341	1.2
131.03503	1.2
135.04559	2.3
136.01691	7.6
137.02452	100.0
138.02779	3.3
138.05588	5.7
149.02484	2.4
149.54149	1.1
151.04013	8.2
177.01947	6.6
179.03513	44.9
180.03894	1.7
209.04549	6.3
217.50992	1.0
239.05594	18.8
249.10786	1.4
255.10118	2.1
299.07748	72.7
300.08072	4.0
300.19373	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	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	87.4
69.34258	9.9
69.34686	10.5
71.01391	32.2
72.99301	7.0
73.36423	2.5
74.02510	3.0
81.03447	9.5
83.01363	3.0
83.05038	5.9
85.02924	4.3
88.04044	8.0
89.02446	25.1
89.03960	5.1
93.03471	54.9
95.01414	3.1
95.05026	4.2
97.02960	3.5
98.22469	6.1
99.00863	8.8
101.02420	13.3
102.98840	3.5
105.03467	3.9
107.05020	3.9
109.02955	9.2
111.00889	3.4
111.04527	5.8
112.98853	3.1
113.02456	9.6
114.05643	5.2
114.98865	3.4
115.00334	4.3
117.00466	25.7
119.03511	8.7
121.02965	15.7
123.04519	11.1
124.90757	2.6
125.02454	9.4
126.98899	3.2
127.03974	2.7
129.00505	3.4
133.01442	3.3
133.02928	6.0
135.04546	17.7
136.01642	4.3
137.02467	100.0
137.06036	2.7
138.02762	4.9
138.05624	7.1
139.04016	7.1
141.01991	4.4
144.99916	5.5
147.09053	2.5
149.02483	24.1
151.04030	16.2
156.99968	7.1
167.03564	3.8
173.01169	2.6
174.99269	7.0
177.01949	94.0
179.03493	34.2
191.03555	5.0
201.02573	11.7
201.12383	3.4
209.04665	7.6
213.02495	3.6
217.00293	25.5
227.05542	11.1
230.08752	4.2
237.04013	5.1
239.05612	8.9
255.10291	4.7
256.98254	9.4
266.98224	5.5
269.09866	8.9
298.99167	18.4
299.04196	6.9
299.07767	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
69.54609	1.8
70.72388	0.3
71.01392	1.6
74.02453	0.5
83.05049	0.4
83.15499	0.3
88.04052	0.8
89.02454	1.4
89.03963	0.3
93.03484	1.5
109.02972	0.3
110.72486	0.3
113.02470	0.5
114.05615	0.5
117.10216	0.3
119.03514	0.6
121.02995	1.0
125.02461	0.3
130.08754	100.0
131.09113	2.1
133.02969	0.6
135.04547	2.7
136.06575	0.3
137.02470	4.4
138.05637	1.0
139.08791	0.3
149.02463	1.1
149.06291	0.3
149.66350	0.3
151.04062	0.6
161.02489	0.8
167.03447	0.4
168.01479	0.5
177.01938	4.9
177.05438	0.4
179.03519	2.0
185.93304	0.3
189.08003	0.6
203.09357	0.3
209.04649	0.3
211.06058	0.3
219.83388	0.3
227.05643	1.0
239.05609	0.5
270.14642	0.3
281.06888	0.3
281.09949	0.7
299.08029	1.8
299.10895	1.4
299.13580	1.6
300.07855	0.6
319.10583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01376	0.4
61.69640	0.1
68.37349	0.1
73.84632	0.1
76.56271	0.1
201.09360	0.2
213.09265	0.5
214.09972	0.3
215.10750	0.5
217.00273	0.3
227.10786	9.3
228.11345	0.9
237.22269	1.1
241.12303	0.7
269.15500	0.7
281.21158	0.3
283.17032	1.2
284.17914	0.2
296.83725	0.2
299.20166	100.0
300.20526	9.1
316.16888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.202
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
57.85243	0.7
70.55004	3.0
97.47533	0.8
127.09392	0.9
137.32388	0.9
291.16693	0.9
299.20203	100.0
299.25888	3.5
300.20535	9.4
314.32129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.01882	1.4
58.89318	0.5
68.70671	0.9
71.21627	0.8
71.21958	0.7
72.99303	0.6
83.05039	1.3
102.68858	0.6
225.22295	2.8
242.79510	0.6
249.22273	2.4
251.23834	10.0
252.23878	0.6
253.25392	97.7
254.25697	7.4
281.24869	2.8
286.38208	0.8
299.25946	100.0
300.26321	7.7
302.34085	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.13485	1.3
59.01382	2.5
59.70324	1.3
69.30853	1.4
70.51729	3.1
70.52126	3.4
72.29391	1.6
149.59303	1.6
216.13171	1.6
217.00366	3.4
230.51640	1.5
253.25262	3.3
290.32617	1.7
299.25937	100.0
300.26291	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	300.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.1
58.80098	1.1
59.01380	2.9
61.21397	1.0
66.03479	2.9
68.56216	1.1
71.31896	1.2
71.32280	1.4
73.02969	1.6
74.02480	100.0
80.05063	1.7
81.07092	1.2
82.02973	3.0
82.06620	3.4
83.04985	1.2
83.06150	5.8
84.00933	1.3
84.04551	7.7
84.08178	1.2
85.04073	1.8
87.05662	2.0
88.04032	3.1
93.09579	1.3
98.02502	1.8
99.00879	1.6
100.04760	1.0
101.07225	3.4
107.02583	1.1
109.04084	6.9
112.07716	1.9
114.05669	1.7
116.07204	4.1
125.03587	3.0
126.01955	1.6
126.09255	5.3
127.05154	69.0
128.03558	5.6
129.02051	1.3
129.10359	70.1
130.08781	7.0
130.10736	2.3
137.09741	2.1
138.05605	2.9
139.08748	4.4
143.11923	36.8
145.06215	50.9
153.10359	5.0
154.08766	8.6
155.11911	3.8
171.11365	3.7
187.10876	3.0
195.15036	6.5
196.14566	79.9
197.14796	3.4
197.16595	6.8
199.13303	1.4
206.06590	1.1
212.12914	1.6
214.15620	33.9
215.15909	1.3
225.16093	20.5
231.12247	1.9
238.15617	5.0
240.13547	2.0
256.10648	2.3
256.16714	10.2
256.20285	29.9
257.20410	1.5
258.14499	1.4
282.14542	10.5
300.15652	86.3
300.19272	73.7
301.16016	7.1
301.19601	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	300.193
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
51.50358	0.5
58.56155	0.6
59.01382	1.8
66.03488	1.3
69.10693	6.3
70.02982	1.5
73.02953	0.9
74.35357	0.6
76.26176	0.7
82.06644	1.8
83.05032	0.7
87.05649	15.8
88.04063	1.0
97.04096	1.8
99.00910	0.6
99.30116	0.6
113.27220	0.7
115.08794	2.6
116.07188	22.0
129.10396	1.3
130.08757	100.0
131.09088	2.6
135.97702	0.6
137.09743	1.2
139.08791	5.1
141.10335	4.9
143.11932	3.5
145.71465	0.6
151.97667	0.8
152.07173	0.8
153.10370	1.4
155.11963	1.7
157.13463	3.2
168.14052	1.3
169.09851	13.8
171.05319	0.6
181.08759	0.9
183.11430	4.7
185.16628	17.8
186.12509	1.1
195.15065	1.5
199.48750	0.7
212.12878	1.4
229.15477	0.6
245.13863	1.1
256.10995	0.8
256.20340	19.7
257.20660	0.9
271.27402	0.6
276.51361	0.7
291.79257	0.7
300.19308	85.9
301.12921	0.7
301.19672	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	300.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
60.16451	0.6
65.87805	0.6
69.32564	1.4
69.32987	2.7
73.04074	11.2
74.02500	0.7
80.05072	0.6
82.06636	1.1
83.02505	1.4
84.08204	0.7
97.06631	1.0
105.46004	0.5
114.09230	0.6
129.10358	0.7
130.08746	100.0
131.09082	2.7
134.20807	0.5
137.45610	0.7
139.08778	5.5
141.10344	5.2
143.11900	5.4
143.34962	0.7
169.09834	18.7
182.15530	1.0
186.12527	0.9
199.18152	27.4
200.18457	1.6
212.12883	4.9
223.23938	0.5
243.17104	1.3
256.11890	1.3
256.20319	13.3
257.20517	0.7
300.19220	75.6
300.21680	5.1
301.19446	4.7
301.22452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34803	0.6
51.48330	0.6
59.01087	1.3
59.01381	26.3
69.25488	1.0
69.25888	4.0
73.04071	12.6
74.02467	0.9
83.02520	1.3
93.49347	0.6
97.06586	0.8
114.09288	1.1
128.07164	0.7
129.10353	3.8
130.08745	100.0
131.09082	2.3
139.08781	6.5
141.10338	6.5
143.11908	25.8
144.12190	1.0
169.09833	21.2
186.12502	0.9
198.12469	0.7
199.18164	29.4
200.18480	1.0
212.12888	1.5
240.19762	1.7
243.17039	1.3
256.20297	24.3
257.20468	0.8
300.19287	92.9
300.21939	15.8
301.19559	6.6
301.22363	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	300.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69242	0.5
64.02305	0.5
66.03491	0.9
69.21655	0.4
73.04075	19.9
74.02489	0.7
82.06639	3.6
83.02515	4.4
84.08207	1.2
97.06573	0.8
110.39582	0.6
112.07664	0.9
114.09305	0.7
117.51632	0.5
129.10350	1.8
130.08748	100.0
131.09073	3.0
139.08771	5.8
141.10342	5.8
143.11911	1.9
169.09843	21.1
182.15501	4.1
182.83452	0.5
186.12440	1.1
199.18169	33.2
200.18559	2.0
212.12941	1.8
212.84682	0.5
243.17041	2.4
256.20309	14.0
257.20486	0.6
300.19284	80.1
301.19623	4.4
311.37769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.193
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
56.55486	0.7
58.02979	3.3
59.01396	1.9
61.44496	0.7
66.03497	1.0
69.68639	1.4
69.69057	2.6
73.02940	0.9
74.02479	100.0
75.02801	1.0
76.96892	0.7
81.07136	0.8
82.03020	0.8
82.06626	5.3
83.06159	2.7
84.04563	2.6
84.08176	0.6
85.04083	1.3
87.05668	1.3
88.04059	2.7
97.04092	0.7
98.99529	0.7
99.00928	1.3
101.07208	0.9
104.04562	0.7
104.33550	0.6
109.02972	0.8
109.04092	3.7
112.07702	1.6
114.05621	1.1
116.07217	2.6
121.03030	0.7
126.09264	5.1
127.05148	25.9
127.06098	1.3
128.03584	2.4
128.07193	1.0
129.10355	37.0
130.08781	2.1
137.09729	1.1
138.05643	3.2
138.08008	1.2
139.08778	4.6
143.11911	38.1
144.12288	1.6
145.06210	18.5
145.07285	1.4
152.42468	0.7
153.10391	2.7
154.08748	4.2
155.11937	1.5
163.07664	0.8
169.09863	1.4
171.03008	0.6
171.11488	1.6
182.47282	0.7
187.10921	1.8
195.15010	5.9
196.14565	32.7
197.14821	1.8
197.16661	6.3
199.18227	2.3
212.13007	1.0
214.15620	16.7
225.16081	24.1
226.16530	1.0
231.12230	0.8
238.15752	2.2
256.10641	1.5
256.16830	4.2
256.20325	30.2
257.20691	2.3
269.06693	0.7
282.14694	3.9
300.15768	37.4
300.19400	68.9
301.15994	2.3
301.19696	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	300.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79155	0.5
58.02977	6.0
59.01379	8.7
60.01737	1.7
65.95222	0.6
66.03481	1.5
69.55629	3.4
71.01392	0.9
71.02487	0.8
72.62486	0.5
73.02969	1.4
73.04066	0.9
74.02482	100.0
75.02826	0.6
82.06636	5.8
84.00906	1.4
85.04068	0.8
87.05650	2.2
88.04048	21.0
98.02485	0.8
98.22464	1.2
99.00903	0.9
109.02971	1.4
112.07693	4.2
113.02535	0.6
113.03579	3.6
113.07253	0.8
114.33151	0.7
115.05187	1.0
115.08777	5.4
116.05077	0.9
116.07195	0.8
125.02454	1.0
125.06162	0.6
126.04362	0.7
126.09262	5.5
127.05125	1.7
128.07193	1.3
129.06705	1.7
129.10355	22.8
130.08749	10.3
135.91812	0.6
137.09753	1.6
138.05624	1.6
138.07973	0.8
139.08791	5.2
141.10353	0.6
143.11917	36.7
144.12271	1.2
152.07207	2.1
153.10390	1.4
155.08302	1.0
157.13463	3.1
163.01529	0.6
169.07768	1.1
169.09825	1.4
171.07803	1.0
182.15547	0.8
187.10880	2.8
195.15018	6.7
197.16576	6.5
199.18260	1.0
201.12410	2.3
208.13332	1.0
211.10861	1.1
212.12840	1.8
214.15686	3.0
222.82843	0.7
224.17700	2.6
225.16087	21.8
226.16385	0.9
231.11992	0.7
255.10094	0.9
256.10657	3.7
256.20328	32.5
257.20624	2.3
268.16647	1.5
284.04230	0.7
300.15625	13.1
300.19220	76.1
301.09393	0.9
301.12845	1.4
301.16211	1.0
301.19565	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	300.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12453	0.4
59.01385	8.8
63.14116	0.4
70.72729	0.9
73.04073	4.4
81.03468	0.6
83.02504	0.5
83.05045	1.2
97.06635	0.6
98.53365	0.4
119.14246	0.4
125.35222	0.3
126.09251	0.5
127.11272	2.3
127.22158	0.4
128.07263	0.4
130.08752	29.9
131.09097	1.3
131.27132	0.4
139.08826	1.4
141.10365	1.9
143.11931	2.1
148.58437	0.4
169.09846	6.1
171.10268	2.8
185.11795	0.4
199.18164	11.4
225.15015	0.8
228.27693	0.4
239.10263	0.4
256.20334	4.3
263.16821	0.5
282.20792	4.2
283.21011	0.7
298.20316	1.3
300.19235	13.8
300.21957	100.0
301.19540	1.0
301.22318	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	300.2183
Annotation	CHEBI:84843
Peak:m/z	Relative Intensity
57.22181	0.8
59.01385	100.0
60.01719	0.9
65.09634	0.8
81.49191	0.8
88.57716	0.7
102.44350	0.8
103.93816	1.0
117.30315	0.7
129.10408	1.1
130.08763	8.0
139.08743	1.0
143.11949	3.8
169.09908	3.3
180.89934	0.8
182.03142	0.8
199.18214	1.7
240.19806	6.9
256.20450	2.0
300.19470	5.4
300.21912	79.0
301.22275	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	301.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01910	0.4
57.03453	2.0
59.01385	92.1
60.01714	0.6
60.87192	0.4
68.03391	0.4
69.92655	2.1
70.02989	1.2
71.01405	1.2
72.00959	0.4
72.99303	1.1
73.04092	1.5
74.02475	4.0
74.85358	0.4
74.99419	0.5
82.76604	0.4
85.63393	0.4
87.05658	1.5
88.04050	4.0
94.46060	0.4
96.00923	2.8
110.07256	0.9
113.03561	0.9
114.01969	2.7
115.02524	10.1
116.02674	0.6
116.07184	0.8
117.00452	9.5
118.00567	0.5
119.00196	0.5
121.14319	0.5
123.00835	0.7
125.09763	0.6
127.05109	0.7
129.10355	1.7
130.08774	2.3
130.96629	0.9
131.04686	1.0
135.98470	0.6
138.03230	0.5
139.04060	1.5
141.00446	0.6
143.11929	1.1
148.97647	0.5
154.06325	0.5
157.03586	2.6
159.01509	100.0
160.01662	5.6
169.08632	0.6
169.09888	0.6
186.12459	3.9
200.14003	0.6
201.02565	24.2
202.02716	2.0
217.00539	1.6
241.00418	0.6
258.99078	0.6
259.01578	3.4
260.01895	0.8
260.04483	4.0
301.02670	43.5
301.15527	7.0
301.19055	1.3
302.02823	5.3
302.05765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0934
Annotation	Isotachioside
Peak:m/z	Relative Intensity
57.03450	2.0
58.02976	0.8
59.01377	1.3
69.38132	3.2
70.02998	0.9
71.01385	4.2
71.02502	0.6
73.02955	1.8
73.04074	2.7
74.02486	15.4
82.02998	1.3
82.06620	0.8
83.01369	0.5
83.02475	0.5
85.02960	1.2
87.05653	1.6
88.04047	5.0
93.03474	6.8
95.01411	3.5
96.00945	2.2
98.02512	1.9
98.22583	0.7
99.00889	1.5
101.02474	1.4
101.07218	0.7
108.05710	2.4
109.01754	0.5
109.03017	0.5
110.07236	0.4
111.00826	0.5
112.02881	0.6
113.02448	1.4
113.03591	2.8
113.64696	0.6
115.00394	2.1
116.07193	1.1
121.02993	7.6
123.00906	52.1
124.01769	2.9
127.05139	0.7
127.08823	0.7
129.10384	2.3
130.08780	4.6
131.08267	0.6
132.03067	0.6
135.04509	0.5
135.08134	0.5
137.02463	1.7
137.09729	0.9
138.03250	32.8
139.04037	100.0
140.04390	2.6
140.07199	2.5
141.10390	1.1
143.11923	5.4
147.04549	0.8
149.02489	1.4
150.03239	0.5
151.04010	1.3
153.07831	1.6
153.10373	1.6
155.08293	0.7
161.04570	1.5
163.03952	0.6
163.07597	0.5
164.07222	1.4
165.01965	0.6
165.07692	0.5
166.02740	1.7
166.08755	1.4
167.08301	2.0
169.08656	0.5
169.09851	2.4
170.05743	3.8
178.02731	0.6
179.03662	0.5
180.11490	0.9
181.05116	3.7
183.11411	1.5
186.12482	4.8
187.10899	4.7
193.05057	1.5
198.12538	1.6
201.12527	0.9
205.09985	0.6
209.09406	0.6
214.15685	1.3
222.12527	0.7
223.10953	1.0
226.12111	1.5
240.11517	0.5
241.28053	0.5
258.14621	5.8
267.09848	5.7
269.06677	0.9
284.12543	3.8
301.05908	0.8
301.09271	2.1
301.15506	9.9
301.19080	1.3
302.13687	3.1
302.17224	1.7
302.19946	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	301.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03907	16.4
61.98847	41.6
68.22538	20.0
70.57372	56.4
73.57683	17.2
83.05038	21.7
93.62748	21.0
134.99223	22.2
146.06241	20.4
153.74850	20.2
165.01837	20.8
225.32651	22.7
257.03888	23.9
271.02548	26.7
283.10880	21.8
301.00116	100.0
301.03116	90.4
301.16559	21.0
301.20032	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38511	1.1
57.03442	1.3
57.42721	1.2
57.54164	1.2
59.01392	1.8
61.98833	2.2
71.32000	1.8
100.81777	1.3
101.77544	1.2
111.08102	1.9
111.15269	1.1
123.00900	1.4
165.12863	27.8
165.28607	1.3
183.13918	100.0
184.14221	3.7
209.11850	5.1
227.12878	32.0
300.99860	2.9
301.16626	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	301.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
69.11426	2.2
69.11839	0.7
69.35672	0.3
89.02425	0.4
91.04057	0.5
95.41978	0.3
98.22577	0.7
101.33827	0.3
106.96546	0.4
110.00123	0.9
111.08181	0.4
116.38905	0.3
119.05062	0.8
137.99431	0.4
139.00395	0.3
163.90366	0.3
165.12886	3.6
165.99074	1.3
166.99895	0.5
183.13927	100.0
184.14262	5.0
203.56779	0.3
209.11868	2.4
227.12921	4.6
232.25359	0.4
256.72250	0.3
257.12997	0.9
271.40942	0.3
271.77142	0.3
286.04794	1.9
301.00104	0.7
301.07178	1.8
301.16620	6.6
301.20023	0.8
302.07574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98181	0.2
59.01365	0.8
60.91154	0.2
89.02443	0.4
91.04011	1.0
96.40400	0.2
96.96020	0.2
97.06598	0.2
111.08158	0.3
113.73740	0.2
121.79144	0.2
165.12865	3.7
166.13156	0.2
183.13904	100.0
184.14240	4.3
209.11871	1.9
227.12888	4.6
228.13095	0.3
235.49390	0.2
300.99893	0.5
301.16589	8.4
301.19989	0.5
302.16910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.32544	0.2
60.97511	0.8
68.60644	0.2
69.56506	1.4
73.19522	0.2
73.47453	0.2
74.99073	0.8
76.97653	0.2
82.35350	0.3
89.94247	0.2
118.96272	0.6
133.30148	0.2
134.99417	4.8
136.97334	2.4
143.05351	0.5
143.57347	0.3
150.98874	0.6
153.93863	0.3
159.08453	1.6
161.05168	0.5
161.06416	6.4
201.04170	0.7
203.05682	3.1
205.03610	1.3
215.05624	1.1
217.07220	77.3
218.07379	5.4
230.72601	0.3
235.08177	0.3
261.06339	1.2
271.58405	0.2
283.11862	0.9
285.13498	36.1
286.13675	3.2
300.99979	2.4
301.16614	100.0
302.00327	0.3
302.16821	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	302.1038
Annotation	Cenocladamide
Peak:m/z	Relative Intensity
55.92624	1.4
61.10692	1.2
61.98833	3.8
62.61204	1.3
64.42575	1.7
69.36314	8.1
69.36723	2.6
72.03060	1.2
77.03963	1.4
78.95909	2.4
93.03480	3.7
93.47626	1.4
123.04557	1.7
133.02946	2.0
137.02419	2.5
139.16426	1.3
144.30235	1.3
149.02473	27.6
150.03238	11.3
151.04042	2.3
153.01988	7.7
177.01941	100.0
178.02252	3.0
189.04320	1.8
194.02159	5.5
195.03004	2.6
245.34335	1.4
302.00443	2.0
302.10388	37.5
302.21005	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	302.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70816	1.1
59.01387	2.3
68.39195	1.2
71.01392	28.2
71.06599	1.7
71.06929	1.6
72.00919	3.4
72.99314	2.4
73.02916	1.6
74.02480	1.3
78.95912	53.4
84.04545	1.8
87.00888	100.0
88.04055	27.5
92.92744	1.2
96.96970	1.5
99.05656	12.5
100.04060	8.4
102.05628	2.5
102.94418	7.7
111.00915	2.0
111.05682	2.2
112.04075	2.3
114.01951	2.1
115.00385	12.7
117.01932	1.6
117.06725	7.2
118.05122	5.8
128.03549	4.7
129.06734	4.2
131.08296	5.3
132.03044	71.5
133.01465	10.2
133.03374	1.5
140.07217	2.8
142.97575	11.0
145.06224	1.9
146.04628	1.9
154.01242	3.0
157.09822	2.5
160.94177	2.8
166.97539	11.6
168.01546	4.0
168.95512	3.9
169.01654	1.6
170.01259	1.4
173.10490	2.4
182.09354	13.1
184.98544	1.6
186.02576	5.6
186.12477	12.6
186.96523	2.8
187.02789	2.3
198.12770	1.5
198.89743	27.4
200.10454	5.8
201.08789	4.5
203.99208	3.4
212.10373	5.8
213.08771	1.6
228.03680	1.7
228.97581	48.6
240.13576	4.7
240.90805	2.4
242.01631	8.8
242.88757	4.1
258.14639	5.3
284.12540	41.7
285.12924	1.7
302.05811	1.8
302.13577	6.2
302.90784	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	302.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70816	1.1
59.01387	2.3
68.39195	1.2
71.01392	28.2
71.06599	1.7
71.06929	1.6
72.00919	3.4
72.99314	2.4
73.02916	1.6
74.02480	1.3
78.95912	53.4
84.04545	1.8
87.00888	100.0
88.04055	27.5
92.92744	1.2
96.96970	1.5
99.05656	12.5
100.04060	8.4
102.05628	2.5
102.94418	7.7
111.00915	2.0
111.05682	2.2
112.04075	2.3
114.01951	2.1
115.00385	12.7
117.01932	1.6
117.06725	7.2
118.05122	5.8
128.03549	4.7
129.06734	4.2
131.08296	5.3
132.03044	71.5
133.01465	10.2
133.03374	1.5
140.07217	2.8
142.97575	11.0
145.06224	1.9
146.04628	1.9
154.01242	3.0
157.09822	2.5
160.94177	2.8
166.97539	11.6
168.01546	4.0
168.95512	3.9
169.01654	1.6
170.01259	1.4
173.10490	2.4
182.09354	13.1
184.98544	1.6
186.02576	5.6
186.12477	12.6
186.96523	2.8
187.02789	2.3
198.12770	1.5
198.89743	27.4
200.10454	5.8
201.08789	4.5
203.99208	3.4
212.10373	5.8
213.08771	1.6
228.03680	1.7
228.97581	48.6
240.13576	4.7
240.90805	2.4
242.01631	8.8
242.88757	4.1
258.14639	5.3
284.12540	41.7
285.12924	1.7
302.05811	1.8
302.13577	6.2
302.90784	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	302.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65926	0.8
71.32941	1.3
72.00909	2.2
72.80254	0.8
79.62035	0.8
91.05544	1.1
100.07668	1.4
118.06641	35.5
119.06973	1.6
127.08782	5.6
137.07230	3.0
139.08806	1.3
147.04532	18.0
148.04875	1.4
164.07172	25.3
168.20233	0.8
231.15041	12.1
274.29742	1.1
275.14023	100.0
276.14331	6.0
302.15057	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	302.1513
Annotation	Val Trp
Peak:m/z	Relative Intensity
59.01372	6.8
64.90039	2.9
71.02654	5.4
71.02996	3.0
74.02477	19.6
80.86237	3.1
91.75186	3.1
115.08797	36.9
116.05082	16.0
116.07206	15.8
125.07185	3.6
127.08803	3.5
129.10353	33.5
130.06604	4.8
134.22478	3.2
142.06683	7.8
155.08263	9.3
173.09322	66.7
174.09743	3.3
197.32249	3.1
203.08197	9.7
216.78073	3.4
258.16061	11.4
302.15121	100.0
302.19650	10.0
303.15271	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	302.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46040	1.0
55.74644	0.8
57.03446	1.5
59.01382	100.0
60.01704	1.6
61.98833	2.2
62.31678	0.8
62.63338	1.0
70.82162	1.7
83.05015	2.6
85.02978	0.9
101.62815	0.9
103.59167	0.9
111.08141	0.9
128.55762	0.8
137.09755	5.5
137.10692	1.0
157.08684	0.9
160.44246	1.1
166.29843	0.8
186.15004	4.8
198.14967	1.6
224.16585	11.9
240.19807	2.2
266.67322	0.9
284.18784	2.4
302.19745	64.8
303.20001	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	302.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43242	0.8
52.29170	0.8
55.05280	0.8
57.03464	1.4
58.00603	2.1
59.01379	2.2
61.98816	1.4
70.92918	1.2
70.93259	1.3
71.01371	1.0
73.02952	2.3
74.43140	1.0
75.60710	0.8
81.03456	1.9
83.05035	14.6
83.94369	0.9
85.02960	1.7
94.52386	1.0
99.08174	2.3
155.07112	1.2
157.08720	8.1
163.14273	1.0
169.53607	0.9
257.14005	1.9
259.74023	0.9
284.18777	3.1
302.19775	100.0
303.19931	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	303.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
60.31361	1.0
70.69833	2.0
70.70172	1.3
70.87843	0.9
104.21306	0.9
108.28027	0.9
129.12057	0.9
167.14430	31.1
168.14777	1.8
178.97063	0.9
211.13402	43.5
212.13748	2.5
229.14452	100.0
230.14795	5.0
298.73166	1.0
303.12909	1.0
303.18243	19.6
303.21579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1968
Annotation	Agallochin I
Peak:m/z	Relative Intensity
56.93814	1.8
57.03443	3.4
59.01368	2.4
68.20659	1.6
70.57391	5.9
75.13484	1.9
81.03456	9.2
83.05029	32.6
96.57040	1.9
99.08160	10.3
111.67301	1.8
211.62561	1.9
219.13832	2.3
222.92299	2.6
259.20694	9.3
285.18726	16.3
303.19659	100.0
303.89859	3.1
304.20050	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.3
60.01716	3.4
61.01809	0.7
61.98833	100.0
64.10609	0.3
66.61086	0.3
66.75943	0.3
69.34876	2.0
81.02036	0.3
86.21633	0.4
93.05642	0.3
98.22497	0.4
99.82714	0.3
108.58829	0.3
112.04444	0.3
114.53918	0.3
115.02551	0.6
116.02656	0.9
117.00506	0.8
117.02248	1.6
117.95525	0.5
117.97345	0.3
118.00526	0.8
118.97554	0.7
119.00198	1.5
119.95264	2.2
134.97092	3.1
159.01508	3.6
159.96599	2.5
160.01643	11.2
160.96744	0.4
161.01195	15.0
161.93628	0.4
161.96303	7.0
161.98949	18.0
162.01532	3.3
162.96559	7.4
162.99042	1.0
166.40810	0.4
176.98177	1.3
201.02556	0.6
202.02794	2.4
203.02267	3.3
204.00029	4.2
204.02846	0.9
262.01685	0.9
304.00119	9.1
304.02850	11.2
305.02948	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42315	0.4
58.02978	48.7
59.56380	0.5
61.98823	1.1
69.41480	2.1
69.41904	0.8
91.78966	0.5
97.23582	0.4
98.21877	0.9
108.23677	0.5
118.49106	0.4
122.82578	0.4
124.02675	0.4
150.32880	0.4
157.86333	0.4
168.13947	100.0
169.14342	4.2
195.13936	0.8
207.13989	1.1
212.12912	8.2
213.13231	0.6
222.92529	0.7
303.90002	0.7
304.15536	0.6
304.19400	0.8
305.08060	0.5
305.17661	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	304.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50166	1.2
59.01387	100.0
60.01718	2.4
61.11992	1.2
61.98887	1.4
69.82885	6.4
73.04081	2.8
74.02477	2.0
74.66831	1.1
76.03611	1.0
81.88975	1.3
85.06600	1.4
87.92572	1.4
89.02414	1.4
90.05320	1.1
103.92008	3.3
115.07626	1.5
116.05051	2.1
131.04640	4.0
138.65721	1.3
172.13365	2.7
199.39259	1.5
203.08261	3.7
210.68929	1.2
244.19244	16.6
260.10416	10.1
286.20209	3.0
287.31195	1.3
304.21335	63.0
305.12552	1.9
305.21643	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.7
59.01381	1.8
66.85280	0.5
68.99578	6.2
69.54697	3.5
71.01389	15.4
72.99320	7.0
73.02962	2.3
74.02481	2.0
78.95911	3.5
81.18011	0.5
82.36712	0.6
86.02505	0.5
87.00893	1.2
89.02444	3.3
93.03473	0.7
96.96026	0.6
96.96988	1.2
97.02941	0.6
99.04544	2.5
99.05613	1.1
107.05064	0.6
109.02969	0.8
110.03642	0.7
111.02022	2.5
111.04581	1.2
112.98593	9.1
115.00389	41.5
118.96589	0.6
123.04525	2.1
125.02473	0.9
126.05822	0.6
128.03563	2.9
130.96657	1.6
133.01450	100.0
134.01772	2.4
135.04623	0.8
143.03532	1.3
143.04643	3.9
148.97702	2.2
155.03575	0.7
156.18767	0.6
157.01379	0.5
171.03011	0.9
179.04637	1.2
187.06102	1.0
188.97203	1.5
202.95119	6.5
244.96190	4.9
245.06937	0.7
254.07758	1.0
263.02689	0.9
272.08881	1.6
304.98822	0.8
305.02155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61774	0.5
59.34809	0.6
61.07917	0.5
69.61720	1.4
69.62133	1.9
71.01390	16.3
72.99323	6.7
78.95940	0.9
85.64513	0.6
87.00903	0.9
87.82635	0.6
89.02469	2.6
115.00394	40.9
116.00730	0.8
130.96666	1.9
133.01453	100.0
134.01851	1.5
148.97720	1.1
153.30981	0.6
188.97256	0.8
202.95149	4.5
216.73271	0.5
244.96161	4.0
290.91830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1401
Annotation	trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
Peak:m/z	Relative Intensity
58.99322	1.7
59.01380	3.8
69.26917	1.9
69.62962	10.3
71.12390	1.8
74.02455	2.2
78.36205	2.4
79.91907	1.7
79.95755	2.7
95.05032	4.6
96.96030	2.0
98.21833	2.3
103.53937	1.8
106.04227	2.4
107.05030	16.0
120.05820	14.3
123.08179	2.3
129.07109	3.0
129.91391	1.9
132.05862	2.1
133.06610	19.7
135.76872	1.9
143.04597	2.8
146.07402	5.1
147.08182	58.2
149.09737	3.4
152.04817	18.9
159.04486	1.8
160.61066	1.9
163.04004	3.2
164.04822	8.5
175.11330	2.1
177.05579	3.1
184.06642	2.3
188.04840	9.6
189.12865	2.1
192.07915	5.0
196.03793	25.3
199.14981	3.5
201.12822	3.6
204.04263	3.0
217.12614	4.1
217.15988	100.0
218.16306	6.3
224.06920	20.3
243.13799	9.6
261.07669	7.6
261.12198	2.4
261.14963	45.5
262.15329	3.1
268.06149	2.1
287.12961	8.4
301.19785	2.0
302.86996	1.7
305.10641	3.2
305.13986	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	305.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92963	1.8
59.01369	2.2
59.89579	1.9
61.84042	1.9
65.03976	3.3
70.94888	4.4
86.17692	2.2
88.97231	1.9
93.80793	2.1
96.95990	2.3
107.05056	17.6
120.05820	11.8
124.01661	3.6
125.02509	2.3
133.06612	19.7
145.06665	2.9
146.81386	2.2
147.08176	62.1
148.08571	3.5
149.09750	2.3
151.03990	2.6
152.04820	17.7
164.04822	10.0
175.11372	4.1
177.05618	5.9
189.12865	2.6
192.07968	6.7
196.03810	25.5
217.15990	100.0
218.16313	4.0
224.06920	17.9
243.13971	8.9
261.14993	44.5
262.15500	3.2
287.12888	5.6
305.10706	3.4
305.13882	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02977	13.4
58.99610	1.0
61.94556	1.2
66.03503	1.5
69.19849	7.4
69.20254	1.6
70.02967	1.8
71.01369	1.1
72.00915	2.2
74.02482	28.3
78.85996	1.0
82.02990	4.3
84.04546	2.0
86.02478	12.1
86.99107	1.7
87.05656	11.3
88.03539	1.1
88.04045	2.1
90.00204	3.2
93.44187	1.0
97.04073	3.4
99.05654	26.4
101.07224	3.9
102.05647	3.2
106.38793	1.0
109.04093	3.2
111.05663	1.8
112.04056	3.8
116.01768	1.9
123.05656	2.5
124.04047	3.2
125.03539	2.3
127.05109	5.4
128.03554	64.8
130.43379	1.1
131.04654	2.3
135.05652	4.6
137.07185	1.4
141.06747	6.4
143.04636	100.0
144.05029	1.7
145.06197	4.9
146.04593	7.3
153.06717	4.7
160.00749	22.4
163.24800	1.1
166.09885	3.5
167.04646	6.5
167.08252	2.7
170.03297	1.6
177.03410	9.1
179.04654	17.4
181.06203	3.1
185.05688	3.4
197.05637	5.0
198.08961	1.3
210.08861	17.3
220.25841	1.3
228.09883	1.7
242.07855	3.6
254.07832	24.4
272.08893	29.1
288.06476	5.5
306.04962	1.3
306.07681	35.2
326.58389	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	306.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27471	0.9
58.02978	13.2
59.61937	1.0
60.89953	1.0
66.03506	1.0
69.47303	2.6
69.47726	5.5
70.02972	2.1
72.00912	1.8
72.99709	1.2
74.02485	29.2
81.04618	2.0
82.02988	4.9
84.04553	2.2
86.02487	9.0
86.99119	3.0
87.05652	10.7
88.04047	1.4
90.00204	2.9
97.04084	4.1
99.05659	24.9
101.07229	4.0
102.05635	2.4
109.04086	2.5
110.67960	1.0
111.05663	1.5
112.04079	3.1
113.03593	2.1
116.01810	1.3
120.01322	1.5
121.65147	1.0
123.05682	2.7
124.04058	2.1
124.46952	1.0
125.03576	2.3
127.05177	5.1
128.03558	64.3
131.04651	2.4
135.05684	5.1
137.07239	1.4
141.06741	6.4
143.04640	100.0
144.04988	2.1
145.06207	5.0
146.04616	8.9
153.06693	5.3
155.08264	1.2
158.20761	1.0
160.00755	21.3
166.09908	3.3
167.04605	7.2
171.04196	1.7
171.07755	1.6
177.03426	9.9
179.04654	15.9
181.06207	2.3
184.10847	1.4
185.05676	2.1
197.05727	4.3
198.08867	2.5
210.08847	18.8
213.03432	1.1
223.91969	1.1
228.10039	1.3
242.07913	2.2
254.07834	22.1
272.08908	28.0
273.09418	1.4
286.77148	1.1
288.06607	6.1
301.00455	1.4
306.07687	33.0
307.07953	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	306.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	4.1
59.01381	10.3
64.77509	0.9
69.65575	4.6
72.00915	23.6
74.02479	7.7
75.14980	0.7
76.08454	1.0
77.39069	0.8
82.02996	0.9
86.02490	2.8
86.06149	0.8
87.05645	2.7
87.92532	1.0
90.00189	1.6
97.04081	1.0
99.05645	6.7
103.05536	1.1
126.00510	2.5
127.05145	0.9
128.03546	19.2
135.05658	2.2
139.48387	0.9
141.06734	1.5
143.04630	25.1
143.05746	1.2
144.05023	1.0
145.71169	0.9
146.04594	1.8
147.04536	60.5
148.04851	1.9
153.06667	1.6
160.00771	7.4
164.07173	100.0
165.07527	4.6
166.09921	0.8
167.04634	2.1
172.01045	17.9
172.55290	0.9
173.01077	1.3
177.03384	2.7
179.04677	5.1
185.05634	1.0
194.45734	0.9
210.08823	5.4
242.07863	1.4
254.07898	6.9
264.07327	2.8
272.08890	6.7
282.38370	0.8
288.06668	1.2
306.08286	59.2
307.08527	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
67.01896	6.8
68.99823	9.6
69.33516	2.8
69.33939	3.6
71.01381	1.8
79.01910	2.5
80.96508	1.1
93.03481	1.2
93.29655	0.8
95.01455	0.9
96.96037	1.1
97.06576	1.2
98.22500	1.1
99.00879	5.7
101.02458	4.6
102.04766	1.4
103.05563	3.8
106.75919	0.8
115.05547	66.8
116.05888	2.5
117.03471	3.7
117.07129	1.0
119.05041	2.3
121.02993	0.9
121.06557	0.9
127.04018	10.1
130.04262	7.4
131.05040	31.7
132.05476	1.4
133.02945	3.3
133.06630	1.3
135.04532	1.5
143.05032	15.1
145.02980	2.8
145.06587	1.2
147.04555	3.8
149.06151	1.5
158.03766	7.2
159.04527	100.0
160.04924	3.7
161.02451	5.7
161.06107	2.3
165.05574	0.9
173.06165	2.2
175.04018	1.6
175.07654	5.5
177.05557	2.4
187.04008	22.8
188.04510	0.9
189.05571	3.7
191.07143	8.9
201.05574	2.3
203.03514	2.3
204.04227	1.4
217.05011	2.7
219.06628	54.4
220.06979	3.4
231.02989	22.5
232.03345	1.5
245.04538	0.9
263.05573	13.0
280.12445	0.8
307.04510	14.2
307.12033	1.9
307.15408	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42688	2.3
62.97702	2.6
69.33008	20.2
72.00913	4.8
72.04548	24.4
87.05659	18.4
88.04060	19.9
91.05545	10.0
93.43841	2.3
97.04091	6.4
99.05676	4.9
100.04060	100.0
101.04391	2.5
114.01980	4.9
115.05149	95.0
116.03735	2.6
118.06647	4.1
144.03044	54.1
147.04543	5.7
164.07158	3.4
174.09367	3.3
176.07198	19.0
190.05240	3.2
197.28867	2.8
201.10365	12.0
220.06172	3.8
235.10927	51.0
235.13254	2.1
236.11287	5.8
245.09348	21.6
261.09143	5.5
263.10471	16.1
307.08789	3.3
307.12177	2.7
307.15549	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
58.10870	2.1
59.01387	60.3
63.55968	1.9
66.14933	2.5
71.01391	70.2
71.42406	4.4
72.99297	1.9
73.02948	20.9
73.04076	3.2
78.90842	2.0
78.95910	2.4
83.01385	6.3
83.05055	13.8
85.02962	20.4
85.13716	1.9
87.00910	10.6
88.85626	2.0
89.02459	29.2
95.01371	3.9
96.14349	2.1
97.02946	5.9
99.00861	6.5
99.04526	3.7
101.02457	47.8
108.24848	2.3
113.02457	20.1
115.03998	4.7
119.03491	9.4
119.04999	2.3
127.04002	8.8
127.05047	2.0
130.08771	3.2
143.03503	3.9
145.05087	32.6
159.02960	2.3
161.04594	18.0
217.07051	3.1
243.08234	2.4
289.09375	5.4
307.10266	100.0
308.10425	2.4
308.12927	4.4
308.16016	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	307.1189
Annotation	Nodulisporacid A
Peak:m/z	Relative Intensity
54.60087	6.4
57.03450	36.9
59.01380	13.6
61.35965	6.4
71.05033	9.3
71.32940	10.7
74.99097	10.9
83.05022	31.9
93.03461	6.6
96.96027	22.3
97.02992	7.9
107.04997	8.7
111.00899	69.7
112.01669	14.0
113.02434	16.7
135.04593	10.5
136.99091	7.6
149.09724	24.8
150.06934	8.8
151.11281	42.7
159.11778	8.8
161.09679	13.9
163.37129	6.3
168.27608	8.5
177.12875	23.0
178.06325	6.9
179.07068	7.9
193.08665	13.2
201.12868	100.0
203.10764	7.6
219.13972	17.5
219.17648	7.3
245.11769	19.5
247.09796	10.4
263.12900	15.7
289.10989	9.3
289.18109	9.7
307.12213	10.7
307.15515	93.0
307.18811	14.8
308.16138	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	307.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
58.03770	5.8
59.01365	34.7
69.85096	33.1
80.96528	25.0
83.05026	37.6
86.66047	5.7
95.01379	6.7
96.96016	11.4
98.29082	6.3
106.04239	7.0
107.08718	6.4
109.06572	10.0
113.01926	5.5
125.09701	7.2
137.02370	6.4
149.09724	42.1
151.04025	11.3
151.11372	8.1
159.11758	8.7
161.09708	36.8
163.07524	7.6
175.11235	10.0
177.12871	47.7
190.09941	8.6
201.12854	17.3
203.10800	6.9
208.16298	6.1
219.13911	78.4
223.13373	10.8
241.01286	6.6
263.12903	34.6
307.15509	9.0
307.19046	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	90.0
59.01379	24.3
65.83024	5.3
70.84925	12.9
71.05033	6.4
74.99100	11.2
81.03503	6.3
83.01350	5.0
83.05038	32.3
96.96033	11.3
107.08682	9.1
119.08656	8.5
135.11833	10.6
149.09764	42.6
151.04036	18.6
159.11853	11.1
160.78116	6.0
161.09746	44.1
175.11270	9.8
177.12851	53.4
197.83011	4.9
201.12872	20.3
219.13898	100.0
263.12827	40.3
269.91086	5.3
307.15436	8.7
307.19006	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42696	0.7
69.43113	1.9
69.70844	0.3
71.17722	0.3
74.99078	6.9
75.96276	0.3
76.64950	0.3
91.02222	2.6
93.00134	2.2
93.23840	0.3
108.55211	0.3
109.92550	0.3
122.48148	0.3
143.05295	0.4
149.00972	3.4
159.08495	7.1
161.06416	2.2
192.98094	0.9
206.99706	2.0
209.01288	2.8
217.07260	1.1
223.02852	52.4
224.02913	3.8
225.00847	0.4
241.03824	1.0
275.05917	0.5
279.95258	0.4
289.07483	2.1
291.09119	100.0
292.09241	9.7
307.12234	2.0
309.10254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14292	0.4
65.49177	0.4
74.99076	7.6
75.96227	0.4
91.02200	2.7
92.46095	0.4
93.00126	2.3
98.95988	0.4
112.72680	0.4
113.51276	0.4
139.33511	0.4
149.00954	3.0
159.08484	6.7
160.08806	0.4
161.06427	2.2
192.98091	0.8
206.99712	1.7
209.01227	3.2
217.07216	0.9
223.02843	48.1
224.02899	3.5
225.00845	0.4
241.03867	0.7
275.06122	0.5
289.07495	1.6
291.09113	100.0
292.09222	10.6
307.12396	1.8
309.10107	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	307.1401
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.18105	1.0
56.98028	0.9
58.00582	1.6
59.01384	50.3
67.07732	0.9
67.19416	0.8
70.30298	1.0
71.01388	23.5
72.99305	1.4
73.02956	2.4
79.06763	0.9
80.96510	3.3
83.01406	1.2
85.02952	5.8
87.00892	1.2
89.02454	24.3
95.01406	1.8
98.21791	2.0
99.08162	24.1
100.08539	1.8
101.02451	15.4
113.02463	8.0
119.03496	9.4
127.07610	2.6
129.09218	2.7
131.80103	1.0
139.23921	1.0
141.09236	2.3
145.08716	65.8
146.09068	2.3
187.09647	1.2
247.90202	1.0
307.05762	4.6
307.14001	100.0
308.14423	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	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51193	2.4
56.48755	2.3
57.23279	2.7
59.01128	3.6
59.01387	45.2
59.05760	2.2
60.43524	2.1
69.07437	14.2
69.07862	10.1
71.01386	26.7
73.02903	2.6
75.85767	2.3
81.57380	2.6
85.02963	6.2
89.02455	26.6
98.22481	4.9
99.08173	26.9
101.02449	13.8
108.95047	2.9
113.02451	10.8
119.03519	11.6
122.57696	2.6
127.07670	8.9
136.46230	2.3
144.98297	3.0
145.08731	81.2
187.09760	3.1
211.24741	2.6
307.14026	100.0
308.14404	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	307.1556
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03453	1.9
59.01379	0.4
59.91744	0.1
63.78316	0.1
65.45477	0.1
69.03458	1.2
71.01382	0.6
71.05022	0.2
74.99115	0.4
75.00877	0.4
81.03458	0.9
83.01403	1.1
83.01825	0.2
83.05025	0.7
85.02962	1.0
87.00890	0.2
87.93887	0.2
93.03483	0.2
95.01405	0.3
95.05055	0.4
96.96014	0.3
97.02959	0.6
97.60453	0.2
99.74866	0.2
108.02192	2.0
109.02978	2.9
110.03787	0.2
111.00894	0.5
111.04532	0.6
113.02467	2.2
121.02979	1.3
123.00881	0.2
123.04536	0.5
123.08124	0.3
124.01694	1.2
125.02447	0.5
134.03766	2.2
136.01714	0.3
136.05304	0.3
136.99176	0.3
137.02460	1.3
138.03253	2.6
139.04045	0.2
142.02725	0.3
145.97237	0.2
149.02428	0.2
149.09750	0.4
151.11334	0.3
156.94302	0.2
161.09785	0.2
164.04814	0.4
168.04308	0.3
170.02275	0.4
171.08148	0.6
174.06819	0.2
183.08093	0.2
188.08511	0.3
189.09242	2.2
200.03291	0.9
201.09155	0.9
201.12878	0.3
202.09987	0.2
207.10255	0.2
231.13727	0.2
241.12355	1.1
249.14986	1.0
259.13379	1.7
261.14990	0.2
263.16562	0.2
277.14490	5.8
278.14835	0.3
289.14453	0.7
307.15543	100.0
308.15878	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	307.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22371	3.9
59.01378	6.0
63.15266	4.3
71.01382	5.7
71.04994	4.3
71.30811	5.2
73.02958	10.7
83.05013	5.0
85.06583	5.4
90.74185	3.9
101.06121	7.4
109.06580	6.2
111.08194	4.1
115.07658	13.6
125.06083	9.2
133.12190	4.8
135.04576	5.0
143.07037	5.4
145.08702	20.6
159.10243	6.1
274.89417	4.6
289.16785	23.8
289.19522	4.5
307.14441	7.5
307.17688	100.0
308.17828	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	307.2644
Annotation	8Z,11Z-eicosadienoic acid
Peak:m/z	Relative Intensity
70.76669	63.5
80.10622	20.9
104.03199	22.2
124.70120	23.0
164.62909	27.8
224.19081	20.5
231.75618	23.6
238.55898	24.3
250.63513	26.0
307.26471	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44877	0.4
50.56290	0.4
59.01370	1.6
61.98836	3.7
76.02164	0.4
94.83376	0.4
95.10152	0.4
99.40070	0.4
102.76727	0.4
122.93098	0.8
122.94269	0.5
123.00529	3.3
124.98444	53.0
125.98557	2.5
134.96101	1.0
136.94019	12.6
136.95740	1.0
136.96768	1.3
137.94044	2.5
138.93735	12.1
138.94766	0.9
138.96501	0.9
164.26582	0.4
164.93491	2.9
164.96307	3.2
165.92911	2.5
165.95923	0.6
166.92024	4.2
166.93234	5.1
166.96127	2.2
166.99498	100.0
167.92647	0.7
167.99628	6.8
168.01062	0.7
176.98152	3.3
178.95079	7.6
178.97681	0.5
179.95181	1.9
180.94760	7.1
222.94629	0.5
236.96202	0.5
238.93896	1.0
264.95169	0.7
266.93433	0.5
280.94952	6.5
308.94406	7.7
309.00491	0.7
309.94308	1.0
329.25369	0.4
330.14966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19398	1.1
53.79448	1.2
59.01360	2.4
60.71330	1.2
63.97785	1.2
69.62045	3.8
69.62461	3.8
71.01381	22.2
72.99297	2.8
75.66759	1.2
80.96535	6.1
89.02446	2.5
93.03472	1.9
94.78110	1.2
96.95945	1.4
115.00372	26.3
117.03482	4.5
133.01445	49.0
134.03754	100.0
135.04077	2.4
137.02373	1.5
145.08736	1.5
149.06067	4.8
154.46333	1.0
175.02498	1.5
178.02698	4.4
193.05070	68.9
194.05331	4.0
209.11946	1.7
235.07620	1.2
248.86531	1.2
265.08789	1.6
281.04526	1.8
288.11600	1.3
291.09128	1.9
309.04077	2.7
309.07587	9.0
309.09717	1.7
309.10638	2.1
309.14413	4.3
310.20538	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	309.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65864	2.6
59.01386	79.6
61.02495	2.5
67.01881	2.7
70.67002	6.9
71.01387	33.5
71.05024	5.5
72.99307	2.6
73.02947	7.1
78.60348	2.3
85.02946	9.3
88.04037	3.5
89.02455	31.5
90.97129	2.9
95.01399	3.3
97.02959	6.8
99.04530	69.8
101.02462	24.6
101.07206	3.8
101.98748	2.5
102.03513	11.8
107.05013	3.6
113.02447	12.7
115.26838	2.8
119.03517	10.9
119.05078	2.8
123.04571	3.6
129.05603	12.7
130.03004	7.6
131.03758	8.0
132.04556	13.3
134.04745	83.5
138.93758	8.3
143.03519	93.6
144.04628	3.8
146.08247	19.7
147.06635	6.6
148.04050	5.1
151.04037	4.4
155.02049	3.8
157.03584	12.6
159.03294	3.1
159.04567	3.8
160.03996	3.9
161.04575	10.1
165.01686	13.3
174.05675	3.0
175.02776	4.2
176.03537	30.3
178.05078	4.2
180.06709	5.5
183.01460	14.9
185.01326	5.2
185.03023	3.8
200.03668	5.4
210.99242	6.8
217.11880	5.9
221.57195	3.1
238.07164	6.5
264.97076	5.3
266.06805	3.1
282.95743	3.8
282.98837	4.3
291.09952	3.8
309.06601	4.9
309.11865	100.0
310.05658	20.6
310.12155	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	309.1129
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
58.02980	3.8
59.01088	1.4
59.01387	25.3
61.98835	1.0
63.96244	4.6
64.63344	1.0
64.97040	6.0
70.02985	1.3
70.19588	1.9
70.19939	2.9
71.01390	12.2
71.05028	16.1
72.99319	1.5
85.02943	2.8
87.05660	5.4
89.02456	12.2
96.96031	5.2
99.04549	6.4
101.02456	8.3
111.04524	1.6
112.46961	0.9
113.02464	5.2
115.05142	1.0
115.08750	1.1
116.07180	2.7
119.03487	5.5
128.03522	1.1
129.05588	9.1
130.29408	1.0
131.08275	3.3
134.04724	3.3
138.93680	0.9
142.02193	0.9
146.08250	91.5
147.08528	1.9
148.13997	0.8
155.41418	1.1
164.60143	0.9
166.99532	1.8
180.06700	1.7
217.11949	22.0
231.99933	1.9
243.13458	2.4
245.15204	4.5
249.02608	1.4
291.99335	1.4
309.11517	100.0
310.11829	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	309.1196
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.11631	1.4
58.00589	2.0
58.85850	1.5
59.01389	64.3
61.98818	1.7
71.01035	2.4
71.01398	34.8
71.04996	4.1
71.30790	2.6
72.99312	6.1
78.95883	6.4
83.05038	3.1
85.02953	9.2
89.02460	37.6
96.96014	14.1
101.02457	22.9
110.53645	1.6
111.04482	2.1
112.67447	2.0
113.02481	12.2
119.03532	17.8
124.98412	6.5
129.05609	17.6
129.40895	1.9
130.08755	2.5
131.08279	8.0
143.03522	2.2
146.08241	21.6
147.06642	5.2
152.91791	2.6
153.32066	1.8
156.01543	1.6
166.92056	1.9
166.99513	11.7
168.01447	1.8
168.07791	6.8
173.10512	2.3
173.93126	1.7
180.06664	4.4
196.05795	1.8
217.11925	7.0
231.99945	2.3
235.57471	2.1
241.41132	1.7
249.02641	3.1
250.02859	2.1
291.09738	1.8
309.11792	100.0
310.12473	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	309.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.5
70.36398	1.1
75.77222	0.4
75.89919	0.3
90.79778	0.3
101.99039	0.3
134.61882	0.3
144.79967	0.3
148.05318	42.9
149.05602	1.8
151.03993	0.6
151.07689	0.8
152.08469	0.7
165.05614	0.9
179.01740	7.6
180.04300	100.0
181.04617	4.4
196.02013	0.6
196.65297	0.3
197.02795	0.7
199.11349	0.4
209.15587	1.8
257.15524	0.8
291.14365	0.8
309.14908	4.1
309.20541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
69.08372	4.5
69.08791	7.4
71.01375	4.4
79.95741	13.8
80.96518	11.2
85.02946	1.8
93.59118	1.2
96.96004	1.7
115.00335	2.2
117.03460	4.7
123.04500	1.3
133.01459	2.5
134.03769	12.9
147.04559	1.5
163.04063	1.2
193.05075	8.7
209.06178	2.5
209.11885	2.2
223.06468	17.7
237.05635	2.6
249.13420	2.6
253.05045	1.3
253.35060	1.3
265.05078	1.7
281.04590	5.9
291.08926	2.0
309.04062	9.0
309.07608	16.3
309.10251	7.6
310.08136	1.6
310.20233	11.2
314.29971	1.3
319.75574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
60.91345	40.0
61.98834	100.0
71.31441	65.1
91.80388	45.9
151.32820	41.0
237.89746	59.8
309.20596	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.17702	0.9
57.03438	2.9
61.98813	1.2
67.01880	1.1
69.03461	7.4
69.24141	2.4
69.24552	6.9
71.01350	1.0
71.05012	1.2
79.01827	1.0
83.05019	3.1
85.02952	5.4
97.02956	69.5
97.06550	1.2
98.03293	1.6
111.08160	2.6
119.08663	1.2
123.08119	1.3
125.09704	2.3
137.09729	16.7
144.99857	1.0
150.26347	1.0
166.83681	1.0
171.10283	28.4
177.12828	1.6
179.10834	1.3
179.85675	1.0
183.10260	1.3
183.13890	3.2
185.11873	2.2
195.13954	5.2
199.13515	1.3
209.11894	1.4
211.13382	2.8
215.91266	0.9
221.11862	3.8
221.15489	1.3
223.13457	1.3
233.15533	1.8
239.12904	5.6
240.13475	1.4
247.20668	2.0
251.16586	3.0
261.79239	1.1
263.20346	1.1
273.18573	4.5
291.19687	35.6
292.20001	3.4
309.20737	100.0
310.21140	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63874	1.3
70.06209	6.1
75.54256	1.6
87.64097	1.2
97.06577	1.5
100.47921	1.4
113.09750	3.0
115.07664	3.8
126.06829	1.8
139.11279	1.5
141.09216	1.7
146.69411	1.2
154.10042	1.3
165.12894	4.0
167.14383	1.6
181.12349	4.8
193.12285	3.1
195.13879	2.4
209.31371	1.3
210.43814	1.4
211.13411	6.5
221.15422	1.9
247.20721	3.8
251.68150	1.3
273.18738	3.3
281.21353	2.4
291.19708	51.9
292.19910	3.4
309.20761	100.0
310.21057	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01382	1.1
59.59800	0.8
61.98822	1.8
65.04134	0.8
69.03476	1.0
70.78818	1.8
77.18820	0.8
84.10952	0.7
109.06589	1.0
111.08153	2.0
125.09756	1.7
127.11285	2.1
151.04025	1.7
151.07635	3.7
152.08432	3.0
153.09142	1.2
153.12868	2.9
163.11284	2.4
165.12871	2.8
167.10693	0.8
179.14383	3.0
181.12305	3.0
184.07373	0.8
193.15971	1.3
197.11795	2.0
207.13875	0.9
208.11037	0.9
209.15466	3.5
215.12941	0.9
223.13342	1.7
226.12051	0.8
227.12770	0.9
231.27754	0.8
247.20694	7.1
265.18115	1.2
273.18616	3.2
281.21136	1.3
291.19687	69.5
292.19974	3.6
309.17236	7.6
309.20712	100.0
310.21118	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	310.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86747	5.0
54.05012	5.8
59.01377	62.2
60.01714	9.0
65.99840	5.9
66.03445	6.7
71.01386	42.5
71.30648	8.3
71.31055	6.5
72.01695	7.7
72.99310	34.2
75.00862	5.0
78.03501	8.8
78.20648	5.4
78.95915	8.1
81.03452	9.0
85.02956	12.9
88.61440	5.6
89.02440	31.1
90.03492	6.3
92.05080	63.9
93.03469	16.3
95.01371	7.8
97.02964	12.9
99.00909	13.2
101.02444	16.3
102.02880	8.0
102.03503	33.8
104.05094	6.9
106.06657	5.9
107.05046	21.3
109.02965	31.5
111.00840	5.7
113.02482	6.5
116.05074	20.6
116.07156	7.4
117.01946	7.2
118.02997	13.3
118.06647	10.4
119.03584	13.0
119.05031	10.4
120.04539	24.4
121.02945	28.2
123.04530	16.5
125.02496	11.6
126.98885	16.1
128.03546	6.9
129.01988	16.4
130.03008	18.7
130.08696	7.7
131.01950	5.5
131.03777	24.6
132.04562	52.9
133.01422	8.2
133.02946	7.5
134.06116	16.5
135.04544	63.4
136.04047	39.4
142.06635	9.8
142.99886	12.4
144.04558	26.8
146.02507	9.0
146.06070	16.3
147.03345	13.3
147.04518	13.2
148.04074	68.3
148.06850	6.2
148.36575	6.4
149.02550	7.8
149.06087	26.3
150.05643	9.9
151.03986	28.5
156.00618	12.1
156.04555	8.8
156.99957	22.2
157.05296	8.6
158.06181	17.6
159.03249	6.7
159.04530	22.1
160.04053	26.4
161.04799	9.5
161.06085	14.9
162.05624	100.0
163.04060	19.0
165.01981	12.9
165.05600	9.7
171.04541	15.0
174.01799	9.5
174.05556	44.0
175.02750	14.2
175.06387	6.6
176.03539	90.2
176.07161	46.2
177.05569	26.9
178.05104	23.4
179.03545	17.9
180.06630	12.7
181.07005	7.7
186.05664	21.0
188.03554	10.8
189.05560	84.5
190.05159	10.9
192.03024	32.4
192.06688	9.6
193.19513	7.0
193.78206	6.3
200.03543	20.3
204.06715	18.8
206.04611	9.7
207.06635	13.5
218.04529	8.9
220.06395	8.8
221.04596	18.1
222.07751	7.5
230.04692	7.8
238.07263	25.9
248.05467	7.6
266.06711	6.8
268.95450	8.6
268.97934	6.8
292.10461	5.8
310.05865	69.1
310.12222	51.0
311.05060	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	310.0933
Annotation	Holocalin
Peak:m/z	Relative Intensity
59.01384	0.5
83.46930	0.4
93.03475	1.3
98.21750	1.4
121.02968	32.7
122.03320	0.8
126.91873	0.5
127.05179	0.6
136.01666	0.7
148.04060	100.0
149.04401	3.6
172.16205	0.4
174.34679	0.5
229.01048	0.6
267.06662	0.9
310.09384	2.7
311.05569	1.4
326.97336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1302
Annotation	Isodomoic acid D
Peak:m/z	Relative Intensity
54.91240	2.1
57.18887	2.0
59.01382	2.8
70.85046	1.9
70.85369	3.3
74.99007	1.8
83.11958	1.7
86.02486	17.4
90.49579	2.0
96.06715	2.0
96.96036	4.7
97.04022	2.3
97.54112	1.8
107.03764	3.4
108.04561	31.3
109.01701	1.9
109.02961	2.3
114.05630	2.2
116.07148	2.7
122.02486	2.1
122.05251	2.9
122.06133	56.0
135.11816	100.0
136.12164	3.9
140.07158	2.6
152.07173	9.9
161.09714	2.7
166.05098	2.2
178.12363	3.9
196.06169	57.9
197.06491	3.6
204.10228	2.9
222.14995	45.3
223.15387	2.5
248.12901	19.7
266.13947	4.3
310.13156	5.2
310.20276	5.6
311.05524	3.0
311.14462	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	310.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.9
69.48733	7.8
69.49165	11.8
71.01396	17.9
76.63036	3.5
78.95908	56.6
89.02449	27.9
96.96021	3.6
101.02431	5.9
105.12992	3.5
113.02467	5.2
119.03483	5.6
120.95490	14.7
126.98877	13.9
130.01064	3.9
130.08752	100.0
136.94005	8.0
136.94946	4.8
143.02058	3.4
161.04576	4.7
168.07741	5.2
178.96164	25.5
194.04347	4.2
206.95471	4.1
250.03310	29.4
251.03474	4.7
260.26532	3.5
268.04453	17.0
292.04416	4.6
310.14761	30.6
311.13965	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	310.2026
Annotation	YM 47515
Peak:m/z	Relative Intensity
57.03447	1.1
58.02988	0.6
59.01387	4.5
69.03429	0.8
69.46031	3.6
71.01368	1.6
71.02489	2.0
71.04996	0.8
76.79096	0.5
83.05017	1.2
85.02935	2.1
86.82535	0.6
96.96001	1.3
108.04527	0.7
121.10252	0.9
122.06149	1.9
122.61126	0.5
132.09717	0.6
134.06110	0.7
135.04495	0.7
135.11810	2.6
145.02965	0.8
146.02519	0.7
147.03265	0.6
147.04492	1.8
149.13358	1.2
155.11893	1.0
164.07140	1.1
175.08691	1.2
180.01222	1.6
191.14465	0.7
193.12395	3.8
196.06190	1.4
207.13879	1.2
224.16586	6.6
234.18535	0.7
238.32605	0.5
248.13033	0.6
260.16571	4.0
263.84528	0.6
268.20337	1.2
274.18134	2.0
278.17657	2.1
283.06226	0.8
285.74829	0.6
292.19171	6.9
293.19501	0.6
310.20255	100.0
311.05612	1.7
311.08887	0.6
311.14120	5.5
311.20551	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	310.9662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
71.01387	1.9
71.31293	0.8
73.02962	0.9
74.99372	3.2
78.95903	2.0
85.02965	0.5
86.97037	0.7
87.00877	5.0
89.02460	0.9
96.60798	0.5
96.96959	0.6
98.22441	0.4
98.99388	0.8
101.02465	0.6
111.00834	0.5
113.00954	0.6
115.02523	1.3
117.00454	1.9
117.01933	1.0
125.00964	6.1
126.98885	100.0
127.98969	5.8
130.08720	0.8
131.02031	2.9
131.08263	2.2
132.01245	0.5
136.94057	0.9
141.00475	8.2
141.97601	1.1
142.00563	0.5
142.96649	0.5
143.02013	8.7
144.99954	3.9
151.00060	0.7
156.99934	6.6
158.00031	0.6
168.99948	9.2
169.01295	0.8
170.00084	0.8
172.01093	0.8
173.10443	1.2
187.00981	1.7
191.01932	0.5
206.95500	5.3
207.95644	0.6
212.98737	1.2
213.00439	0.8
214.02171	0.9
218.55913	0.4
221.04671	0.4
222.98647	0.6
224.96574	37.1
225.96687	2.3
228.97652	0.6
230.99974	4.8
238.98100	2.1
250.95799	1.1
252.12762	0.5
266.97617	1.1
268.95547	2.7
292.95502	0.5
310.96591	17.1
311.09537	0.9
311.96844	1.9
328.57727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.9662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51618	0.5
59.01376	3.6
69.23797	0.9
69.24198	2.9
71.01383	2.5
72.28973	0.4
72.99330	0.6
73.02956	0.8
74.99392	2.0
78.95930	1.6
85.02947	0.6
86.96992	2.5
87.00886	14.0
87.01396	0.9
89.02431	2.2
99.00800	0.6
101.02463	1.0
111.00900	1.7
113.02448	0.6
115.02536	1.3
117.00460	2.6
117.01965	1.2
125.00961	6.1
126.01110	0.5
126.98888	100.0
127.98977	5.6
129.00356	0.5
130.08765	2.1
131.02011	1.7
131.08234	1.8
136.94951	0.5
141.00462	8.2
141.97594	1.3
142.96646	0.7
143.02028	7.9
144.99947	4.5
151.00087	0.9
156.99944	5.0
168.99930	9.7
169.01184	1.1
169.88434	0.5
170.00140	0.7
173.10431	0.8
187.01010	1.3
191.01982	1.7
206.95415	5.6
207.95596	0.5
212.98448	0.7
213.00467	3.4
214.02232	0.5
224.96568	33.9
225.96651	2.7
228.97536	1.2
230.99939	5.5
238.98138	2.1
248.96611	0.7
250.95729	2.2
266.97714	1.1
268.95419	2.2
302.16568	0.5
310.12216	0.7
310.96582	17.4
311.09766	2.0
311.96753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0987
Annotation	Vicianose
Peak:m/z	Relative Intensity
59.01381	66.5
69.20809	14.8
69.21236	11.5
71.01385	52.8
72.99300	4.9
73.02942	15.1
79.46288	2.9
83.01396	4.3
85.02953	6.8
89.02452	100.0
96.03613	2.9
98.22516	6.6
99.00891	49.9
101.02452	40.6
103.65280	3.1
113.02456	6.7
115.96873	2.6
131.03513	9.5
137.41798	2.9
143.03496	3.1
149.04570	28.2
149.06081	34.4
174.30156	3.1
191.05615	12.1
274.44949	3.1
298.04324	3.2
311.14966	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	311.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05116	1.2
59.01388	100.0
62.48819	1.1
63.56828	1.0
69.79365	4.7
69.79765	1.9
71.01395	8.4
72.20731	1.2
73.02964	3.7
81.03490	1.5
83.01403	1.9
85.02958	4.3
89.02489	3.2
95.47196	1.2
97.02946	1.4
99.26554	1.1
101.02449	7.8
109.02962	2.6
113.02501	3.4
124.46236	1.1
125.02448	2.8
134.04781	1.8
135.04562	4.4
143.05048	2.3
149.06097	3.3
150.05624	1.6
161.04584	9.1
161.06071	3.1
171.04541	2.4
183.99312	3.2
189.05608	14.6
215.97501	1.1
251.11400	14.5
254.62939	1.1
269.98199	1.2
311.05606	1.7
311.11700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42204	0.9
53.51828	0.9
59.01386	100.0
60.01703	1.2
69.03451	1.4
69.24931	7.6
71.01392	9.7
72.99314	1.3
73.02950	2.8
78.95937	1.6
80.96477	1.0
85.02962	3.5
87.00862	1.3
89.02449	4.5
90.73138	0.9
95.04229	0.9
97.02968	5.9
99.00867	1.6
101.02450	8.6
101.67683	0.8
109.02970	6.1
111.00898	1.2
112.72633	0.8
113.00980	1.2
113.02444	3.0
117.00455	0.9
119.03481	1.4
119.05013	0.9
122.06113	1.9
123.04524	1.4
125.02444	4.8
126.98907	2.7
127.05134	1.2
131.02005	1.5
134.03754	1.3
134.04733	2.0
135.04546	11.0
135.97850	0.9
141.99963	7.8
143.01953	1.0
143.03499	1.0
143.05042	5.6
149.06084	6.6
150.05615	3.8
152.93640	1.2
156.99944	3.2
159.03047	1.8
159.04565	1.8
161.04575	8.9
161.06079	6.7
166.99496	1.8
168.01642	0.9
168.91434	1.1
168.99203	1.0
169.00040	1.7
169.03618	1.0
169.99481	12.6
171.04510	5.7
174.03163	1.8
175.03877	1.0
176.07300	0.9
177.05589	3.7
183.99281	5.1
184.01010	3.1
188.04771	1.1
189.05592	38.1
190.05940	2.5
191.03479	1.3
203.03529	1.1
207.06668	2.8
221.04520	1.8
224.96896	1.2
251.11385	16.7
252.03030	1.9
267.06680	2.1
309.45651	1.0
311.01028	1.7
311.05402	2.9
312.10895	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	311.1405
Annotation	Phe Phe
Peak:m/z	Relative Intensity
50.83709	0.6
50.86669	0.6
54.41424	0.6
59.01371	0.8
64.72733	0.7
69.01428	2.7
69.01845	5.4
71.02509	32.2
72.00913	3.3
79.83641	0.6
82.39250	0.7
91.05533	11.3
92.05873	0.8
98.21730	1.6
118.06648	3.3
123.65574	0.7
133.02963	1.1
135.04536	2.6
145.02927	0.9
146.06129	7.9
147.04536	23.0
148.07626	0.8
161.02402	1.8
163.08780	14.1
164.07179	25.0
165.07469	0.9
174.23683	0.6
175.08777	27.9
176.09077	1.1
196.53310	0.7
225.14949	1.1
250.12352	4.1
267.15073	2.1
311.14029	100.0
312.14374	9.0
312.21890	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	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
70.20596	0.6
70.20985	0.9
97.06613	0.8
99.08179	0.4
114.82263	0.3
119.94719	0.3
121.02950	1.5
122.03725	0.9
132.79956	0.3
136.05273	0.5
149.06050	0.3
150.30937	0.3
157.08669	0.5
167.14435	2.6
168.04343	0.4
168.91370	0.3
179.20192	0.3
183.13943	0.4
193.15947	0.7
195.13976	0.9
200.14412	0.3
207.17628	0.7
223.20624	2.6
231.17549	0.3
249.18629	5.6
250.18942	0.5
267.19659	100.0
268.20013	7.6
275.16547	7.3
276.16882	0.7
284.20602	0.7
284.85635	0.3
293.17609	35.9
293.20792	1.2
294.17990	2.8
311.18643	27.5
311.22302	9.2
312.19000	2.3
312.22369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01384	0.9
61.98826	1.9
70.87081	0.8
70.87421	0.7
75.81007	0.4
83.05032	0.5
92.92786	0.9
97.02959	0.6
97.06599	0.9
113.09732	1.7
115.07698	0.5
119.94717	1.1
121.10244	1.0
125.09751	0.8
127.11301	2.0
128.08574	0.8
139.11287	9.1
140.11526	0.5
148.30223	0.5
151.11201	0.7
153.09193	0.9
155.10759	1.7
165.09087	0.6
167.10776	1.0
167.14400	2.6
170.88422	0.7
171.10275	28.5
172.10632	1.2
183.10246	1.9
183.13910	2.0
185.11827	5.4
186.29346	0.5
191.59412	0.5
193.12343	1.6
195.13911	6.8
201.11308	3.9
211.13412	2.6
213.14908	0.6
239.44785	0.6
242.15312	0.5
265.21747	0.9
275.20016	2.8
293.21246	13.0
294.21439	1.2
311.22284	100.0
312.22672	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03448	2.4
59.01373	2.8
61.98841	7.5
63.94748	1.6
69.75819	1.4
69.82857	6.2
69.91113	1.8
73.08459	1.6
92.92816	1.6
97.06571	2.5
98.22510	1.7
119.94689	1.7
121.10221	2.5
125.09705	4.0
127.11266	5.0
139.11314	18.3
144.16965	1.7
151.11372	1.8
153.09290	1.6
155.10716	3.3
168.91393	1.8
171.10278	84.6
172.10609	2.3
183.10289	4.3
185.11853	13.4
201.11337	12.4
211.13544	1.6
228.84268	1.9
275.20111	6.7
293.21262	29.3
294.21436	2.4
311.22290	100.0
312.22797	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78285	0.4
53.95789	0.4
54.60769	0.4
54.77248	0.5
57.03436	1.0
59.01360	0.6
61.98819	1.5
70.60226	1.0
70.60564	0.4
83.05024	0.5
88.34444	0.4
97.06593	0.5
114.42496	0.4
119.94733	0.6
123.08150	1.0
125.09747	3.9
139.11299	1.1
141.09235	1.8
141.12869	1.1
148.05258	0.4
149.05687	0.4
150.19258	0.5
151.07625	0.5
153.09285	2.0
155.14441	2.2
156.47192	0.4
157.12341	1.5
169.08667	0.4
171.10268	1.9
180.04297	2.5
181.04642	0.5
181.15952	0.7
183.13879	0.9
185.11798	0.6
199.09700	1.0
200.10542	2.8
239.23813	0.6
249.22264	2.7
265.21777	1.7
267.23193	0.9
275.20154	1.6
293.21240	8.5
294.21689	0.5
311.22302	100.0
312.22583	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74805	0.6
59.01373	0.9
64.72020	0.6
69.60680	2.1
69.61087	1.3
71.05000	0.5
77.63366	0.5
83.05022	1.2
97.06616	0.7
99.08155	0.7
108.19247	0.6
113.09740	1.6
115.07683	1.4
127.07635	1.1
128.08441	0.7
160.21194	0.6
167.14467	3.8
180.48178	0.6
183.13873	2.7
191.73781	0.6
195.13924	12.5
196.14284	1.3
201.12653	0.5
211.13374	2.0
213.15018	1.5
241.14467	1.0
242.15184	1.1
242.37944	0.6
249.22096	1.0
265.21759	0.9
267.23206	1.2
293.21265	11.1
294.21487	0.8
311.22299	100.0
312.22610	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98421	0.8
58.00599	13.3
59.01352	1.3
61.98838	2.3
70.41033	2.0
70.41359	0.7
73.02947	1.5
106.57170	0.7
106.73050	0.7
109.06608	2.9
127.07659	9.6
137.56355	0.7
171.10280	1.1
183.13908	34.4
184.14287	1.2
195.13927	2.3
201.11383	8.6
213.14981	8.9
217.52119	0.7
223.13405	3.0
224.92900	0.8
241.14453	9.9
242.14723	0.8
275.20255	2.0
293.21301	8.9
294.21814	1.0
311.22299	100.0
312.22626	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87467	2.3
57.03442	6.5
57.88008	2.6
59.01351	3.5
70.51421	8.7
70.70473	2.2
83.05035	4.7
102.34734	2.6
104.08932	2.6
111.25989	2.8
113.09751	5.4
129.09190	6.2
139.11307	3.7
142.90031	2.7
155.10785	24.0
160.91756	2.5
171.10284	16.7
181.12386	2.9
185.11971	3.9
197.11743	8.2
199.13300	3.1
201.11229	4.9
211.13420	13.7
255.31207	2.8
293.21344	18.2
296.06723	4.1
300.20816	3.0
311.09232	3.4
311.22293	100.0
312.22711	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60640	0.6
57.03230	0.7
57.03452	7.3
57.29398	0.8
59.01381	1.6
67.42449	0.6
69.03462	0.6
70.64825	0.9
70.65151	1.1
80.30305	0.7
83.47154	0.6
85.02969	2.8
87.03983	1.0
87.04514	20.1
113.75214	0.6
116.09236	0.7
130.08769	1.0
223.17041	48.6
224.17366	3.0
235.16960	3.4
253.18150	1.1
275.20163	4.9
293.18164	1.1
293.21222	6.6
294.21512	0.9
309.20905	1.0
311.22290	100.0
312.22684	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	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63622	0.6
58.00605	10.2
58.46942	0.6
59.01370	1.1
59.23797	0.6
68.81743	0.6
70.95451	1.7
73.02949	1.5
77.70329	0.6
88.04388	0.7
89.85428	0.6
95.32787	0.7
105.70519	0.8
109.06601	2.5
110.54910	0.8
117.67404	0.7
125.27943	0.6
127.07685	7.5
129.40282	0.8
135.50920	0.8
157.08678	1.2
183.13924	31.2
184.14264	1.8
195.13927	2.1
211.13402	0.8
213.14973	8.5
223.13400	2.7
241.14449	10.3
275.20251	1.7
293.21207	7.6
311.22299	100.0
312.22598	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	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58474	0.4
58.00600	13.2
61.98817	0.8
66.15741	0.4
69.03468	0.5
70.55096	1.0
70.55437	0.6
73.02943	1.9
99.08163	0.7
109.06599	2.4
119.94753	0.8
127.07674	7.2
127.11304	0.8
171.10313	0.6
179.14368	0.7
183.13911	31.0
184.14252	1.7
195.13892	2.3
201.11372	5.3
211.13268	0.6
211.16130	0.5
213.14978	9.0
223.13455	2.5
241.14436	8.2
242.14775	0.7
275.20114	1.9
293.21255	8.4
294.21606	0.8
311.22305	100.0
312.22693	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	311.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
61.98827	1.1
70.78942	0.5
70.79256	0.6
71.05036	3.4
81.03467	0.4
83.05042	0.6
84.02178	0.5
97.06634	0.4
107.05024	0.5
109.06633	0.4
111.08170	0.7
119.94722	0.5
125.09734	1.7
127.11329	1.1
139.11295	1.3
155.14407	0.6
165.12871	1.1
167.10831	0.4
171.10309	3.8
173.88651	0.4
181.15971	0.6
183.13948	1.9
195.13910	1.2
204.14168	0.4
209.11913	2.0
227.12892	0.8
243.16028	1.2
243.21759	0.4
249.22151	0.7
252.90123	0.4
291.19687	1.1
293.21188	3.6
311.22314	100.0
312.22659	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	312.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81240	0.6
59.01376	3.3
61.98822	2.1
69.26871	4.9
71.01361	1.1
72.99319	0.9
74.99393	0.6
89.40712	0.6
98.21727	1.0
99.98901	1.7
117.00442	4.1
124.98448	0.7
125.98535	1.3
126.00506	5.1
126.98150	0.8
126.99049	0.6
126.99986	0.7
127.10967	0.5
128.97862	0.6
129.00476	1.3
140.02025	1.0
141.43330	0.5
141.99982	68.4
143.00089	5.5
159.01569	1.4
167.99658	2.2
168.99229	2.2
169.99474	100.0
170.97845	9.1
170.99268	6.1
171.01559	2.6
184.01039	25.6
185.01201	1.6
259.01657	1.3
312.00656	1.4
313.02679	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	312.2184
Annotation	cis-4-decenoylcarnitine
Peak:m/z	Relative Intensity
71.31564	2.0
71.60690	1.5
92.87965	1.6
125.09734	10.0
181.16011	3.6
185.11838	4.1
225.14967	53.8
226.15344	3.4
248.78412	1.6
263.16522	6.1
312.21817	100.0
313.22070	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	312.9821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.7
61.92167	1.2
70.37126	4.2
71.01382	8.3
72.99319	94.8
78.95940	3.6
81.23663	1.2
87.00893	4.9
89.02467	5.7
90.89426	1.4
101.00986	2.1
101.02490	3.1
103.01486	2.5
104.03559	6.4
117.00462	12.5
119.03548	2.4
126.98896	4.0
128.98654	4.9
132.98216	3.2
133.01471	1.5
136.98611	5.4
143.03409	1.2
152.95973	1.5
153.31970	1.2
154.98541	1.6
154.99684	5.6
156.99995	1.7
159.01517	1.5
160.19049	1.5
165.05981	1.5
172.99438	100.0
173.99547	7.4
179.05659	1.3
188.97189	8.5
215.00522	61.1
216.00677	4.2
228.93019	2.2
230.96068	2.2
230.98299	4.3
252.96230	5.6
270.97391	6.2
277.29977	1.5
313.11398	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	313.0722
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
59.01379	2.5
70.61139	3.9
88.04037	8.5
89.86993	1.4
93.03467	2.2
95.05040	3.7
96.96050	2.5
105.03485	6.8
109.02953	17.0
119.05045	1.8
121.02976	10.2
122.96387	1.5
125.02469	5.6
133.02966	43.9
134.03802	16.1
135.04547	100.0
136.04860	5.0
137.02466	9.1
139.04030	3.5
145.02971	2.6
147.04564	6.8
151.04034	23.1
154.63800	1.6
159.04532	5.2
177.01938	14.7
178.02744	21.0
179.03517	49.2
180.03900	2.8
191.03593	2.0
223.07654	1.5
224.11110	1.7
254.05824	4.4
269.08139	7.8
305.64212	1.5
313.07153	6.5
313.16129	1.6
313.22681	2.6
314.20590	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	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
61.98797	0.3
69.93537	0.2
69.93885	1.2
86.66655	0.2
108.19376	0.2
114.04363	0.2
121.02967	100.0
122.03311	3.2
130.08751	1.2
155.43872	0.2
164.11406	0.3
164.12804	0.2
173.98885	0.2
180.05817	1.0
181.06624	3.9
182.07011	0.3
202.75398	0.2
223.47659	0.3
225.05595	7.3
226.05925	0.4
235.18176	1.1
267.17288	0.4
279.17093	0.4
313.02374	0.5
313.07178	12.6
313.23834	1.1
314.07547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
50.13125	0.7
51.58918	0.7
53.13991	0.7
53.21061	0.7
55.11451	0.7
57.03447	0.7
58.21788	0.8
59.01375	3.5
60.00104	0.7
61.98818	1.1
63.02395	6.8
65.00329	3.5
70.71733	2.8
71.74980	0.8
80.03307	0.9
92.00537	0.8
107.01383	3.1
119.05035	1.4
121.02914	1.4
124.20135	0.7
130.08754	3.8
143.05080	4.5
145.02980	1.7
151.00403	1.4
161.06192	1.1
165.07033	1.1
167.05078	1.1
185.06108	1.8
197.06107	4.5
208.05261	0.8
209.06129	4.0
225.05605	2.1
235.18130	4.6
244.36253	0.9
252.65714	0.8
253.05070	100.0
254.05368	6.7
267.17169	1.2
271.06116	7.4
279.16959	1.9
313.07184	39.8
313.15009	1.4
313.18121	1.8
313.23740	6.3
313.57281	0.8
314.07587	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96441	1.8
59.01382	3.1
69.34084	18.9
69.91032	2.3
73.04071	34.1
75.08173	2.1
88.04069	4.2
93.03429	2.9
94.04234	4.0
94.31123	2.0
95.01419	2.3
95.30939	2.1
97.06598	3.9
109.02991	8.2
115.07666	3.6
119.05027	2.4
119.97513	2.6
120.05845	4.4
121.02985	3.0
121.06636	2.7
125.02410	2.5
129.09164	2.4
140.07210	6.6
145.02968	4.0
146.03766	5.1
147.04546	7.8
149.09724	100.0
149.67757	2.4
150.10086	4.4
151.11230	2.7
159.04526	6.9
181.12314	13.2
187.49319	2.1
193.08734	14.6
194.53752	2.2
196.19664	2.1
201.01685	2.3
208.13423	5.6
225.11333	48.7
238.19244	14.7
239.07182	4.3
269.08200	8.3
282.18262	5.1
313.16602	2.8
313.20441	2.3
314.20569	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	313.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	5.4
70.07449	12.5
121.02995	5.4
122.09756	4.8
124.11338	3.4
130.08759	100.0
138.88274	3.1
150.09215	7.1
153.10327	4.4
165.10318	5.3
166.15955	4.8
167.11891	12.2
170.88399	3.5
235.18178	68.6
236.18449	5.6
253.05472	3.6
254.85759	3.3
267.17166	36.8
276.56659	2.8
279.17130	35.2
313.15857	11.4
313.23859	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
55.30696	1.2
66.42950	1.2
69.22508	11.1
80.70998	1.2
83.43987	1.1
125.12904	1.1
131.29745	1.3
151.91956	1.1
167.12329	1.1
185.00793	3.2
194.35664	1.1
216.44000	1.3
243.29031	1.1
251.23807	66.6
252.24165	5.6
269.25021	1.4
288.23184	1.2
295.19641	2.5
295.22791	26.3
296.23010	1.7
297.44110	1.1
313.16638	8.7
313.23874	100.0
314.17459	1.4
314.24283	7.6
334.77847	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.56348	1.0
58.00583	3.0
69.08152	2.7
69.08559	9.9
70.50441	1.1
99.08163	21.2
101.77226	1.1
127.07659	3.1
129.09241	22.0
139.41022	1.2
162.18019	1.2
183.13918	44.9
183.15562	2.3
184.14256	2.9
195.13937	3.0
277.21738	4.7
295.22742	9.6
296.23090	1.5
304.78491	1.2
313.23856	100.0
314.24222	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	313.2387
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03458	0.7
58.00596	2.8
59.01378	1.1
60.63358	0.8
61.98817	2.1
70.66277	2.2
80.21896	0.8
97.06597	0.9
99.08170	20.4
111.44243	0.7
113.09722	0.7
117.28114	0.7
121.02968	1.0
127.07663	3.8
129.09221	20.2
130.09595	1.0
137.09648	0.8
170.88329	1.0
183.13907	38.7
184.14227	2.0
195.13803	3.6
201.11238	1.9
213.14917	0.7
254.85832	0.8
277.21701	2.5
295.22757	7.8
313.23868	100.0
314.24142	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	313.2387
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
52.71577	0.4
53.00896	0.4
55.60780	0.4
57.03450	1.0
58.00597	2.2
58.00839	0.4
59.01366	0.7
61.98816	1.5
63.21215	0.3
65.69812	0.4
70.95523	0.6
70.95851	0.7
73.02934	0.8
94.92503	0.6
99.08172	0.6
125.09742	5.9
127.11304	9.0
137.09702	1.7
139.11295	1.4
150.52431	0.4
153.09169	0.9
155.10815	3.3
157.12404	0.7
165.09245	3.3
171.10278	6.9
183.10175	0.9
199.09818	2.1
201.11336	48.7
202.11639	2.6
206.25424	0.4
208.56938	0.4
256.64789	0.5
277.21829	4.2
278.22241	0.5
295.22778	5.5
302.18579	0.4
311.22684	0.4
313.23859	100.0
314.24249	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	313.2388
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.94950	0.4
61.84230	0.3
61.98829	1.0
70.87267	0.9
71.05016	1.9
83.05021	1.2
84.02163	0.5
87.91138	0.3
113.09744	2.2
118.21288	0.4
120.12344	0.3
125.09726	1.8
127.11296	2.7
129.58914	0.4
139.11406	0.4
141.12859	2.2
155.14426	1.0
161.43428	0.4
170.88391	0.5
171.10281	3.2
183.13922	0.6
197.90340	0.4
251.23801	1.6
279.51596	0.4
293.21191	1.5
295.22800	3.4
311.22238	1.0
313.23853	100.0
314.24179	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51574	1.3
69.44933	9.8
75.00882	100.0
120.09532	1.3
125.02474	3.7
133.82425	1.3
156.08932	1.3
216.65752	1.5
255.23326	21.1
256.23578	2.0
260.92078	1.3
313.16803	4.2
313.23730	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	314.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72081	0.7
55.01871	1.6
57.03429	0.7
58.00616	1.0
59.01389	16.0
69.46001	2.3
69.46413	1.5
71.01389	11.6
81.03461	1.7
81.56388	0.5
83.34464	0.6
85.02956	1.8
88.35901	0.9
89.02458	12.2
91.17959	0.6
92.05070	2.1
95.01418	0.7
101.02461	7.1
106.03011	1.5
108.02193	0.7
108.04594	3.1
109.02991	1.2
113.02486	4.1
114.05621	0.9
119.03494	6.3
122.06143	1.2
123.04575	0.7
125.02464	100.0
126.02788	2.4
126.47064	0.8
126.59100	0.7
132.04567	0.9
134.02505	1.5
140.88882	0.7
152.03554	11.0
153.02025	1.2
153.03766	0.8
167.03513	1.2
211.18120	0.6
253.96751	0.9
271.97815	1.3
283.83688	0.6
314.08929	1.6
315.07373	1.1
336.23026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58162	0.4
55.01878	1.4
57.07672	0.3
58.00590	0.5
59.01383	18.7
69.48923	2.0
71.01385	10.1
72.99316	1.0
78.03509	0.4
81.03470	1.6
83.01421	0.8
85.02952	1.6
87.00951	0.3
88.04028	0.4
89.02453	12.9
92.05067	1.0
94.06584	0.3
94.27663	0.3
95.01405	1.0
97.02947	0.7
98.21810	0.4
101.02454	7.1
106.03001	1.2
108.02176	1.6
108.04563	2.6
109.02963	1.4
111.00890	0.5
113.02470	4.2
113.03204	0.6
114.43130	0.3
115.00385	0.7
119.03522	5.8
122.06116	0.4
123.04511	1.5
125.02458	100.0
126.02795	2.6
132.04593	0.8
133.01442	1.7
134.02527	1.9
136.04007	0.4
143.03511	0.8
152.01172	1.2
152.03548	11.0
153.01958	0.9
153.03893	0.3
161.04550	1.0
162.93719	0.4
167.03513	0.6
179.05605	0.5
189.10815	0.3
224.20653	0.4
314.08890	1.7
315.07315	1.4
328.88559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
59.01384	19.1
60.01716	0.9
64.52867	0.7
66.40656	0.8
69.09251	1.9
69.09659	5.2
71.01386	15.4
72.99306	3.1
73.02956	0.9
78.95910	2.2
80.36427	0.8
81.03452	2.4
83.06165	1.2
85.02964	2.9
87.00887	1.8
88.04047	0.8
89.01942	1.3
89.02453	15.3
92.05090	1.3
93.62808	0.7
95.01379	1.2
97.02935	0.8
98.21661	1.1
99.04520	1.4
101.02436	7.9
102.02831	0.9
106.02957	1.2
108.02178	18.5
108.04587	3.5
108.92307	0.6
109.02966	5.1
110.32135	0.7
111.00930	0.9
113.02470	5.1
114.05653	0.8
115.00373	1.7
116.07220	0.8
117.01985	0.9
119.03538	6.1
119.59829	0.8
123.04550	2.1
125.02456	100.0
126.02814	2.5
126.98888	1.0
127.99018	1.0
128.03529	0.7
128.98595	1.4
131.08272	13.1
132.03053	2.3
133.01445	2.9
134.02489	2.6
136.99783	0.7
143.03505	1.6
145.09810	0.9
152.01169	12.8
152.03543	10.2
153.01955	7.3
153.03871	0.7
156.99954	0.7
158.00058	1.4
158.89330	1.5
159.01521	1.1
161.04643	1.5
168.01514	1.1
171.01541	1.3
172.01035	5.4
172.99489	1.4
173.10414	1.6
173.99532	1.3
179.05551	1.1
187.02818	0.9
192.02760	1.2
196.05830	5.6
205.66830	0.7
227.96750	1.1
231.08463	1.0
238.06850	21.9
240.13246	0.8
255.09515	13.3
255.11937	1.3
272.07925	1.2
313.97498	0.9
314.08823	1.4
314.19794	1.5
315.07101	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	314.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.19416	0.4
58.00602	0.8
59.01388	17.4
62.58530	0.4
63.82352	0.4
64.81973	0.4
68.72009	0.5
70.66431	1.0
71.01396	9.6
72.99306	1.1
81.03471	1.9
83.01380	0.4
85.02961	1.9
89.02460	13.2
90.02799	0.5
92.05065	1.0
95.01379	0.6
97.02998	0.6
101.02462	6.2
106.02997	1.3
108.02187	0.5
108.04570	2.9
109.02967	0.6
113.02472	3.2
119.03522	5.5
122.06154	0.5
123.04556	1.6
125.02467	100.0
126.02801	2.7
131.03593	0.5
132.04599	0.7
134.02504	1.4
149.04565	0.5
152.03564	8.7
153.01895	0.6
161.04585	1.0
166.39223	0.4
167.03493	0.8
179.05666	0.9
314.08755	1.3
330.73093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1976
Annotation	Butoctamide hydrogen succinate
Peak:m/z	Relative Intensity
52.40118	1.8
55.69125	1.6
58.10030	1.6
59.01382	100.0
63.94416	1.9
71.39616	3.1
81.03455	2.1
88.04058	3.3
93.01219	1.9
97.06605	5.1
108.64012	1.9
114.05615	44.5
116.07206	3.0
123.08173	4.5
125.06079	6.8
129.10498	2.1
132.88222	1.7
140.07156	2.8
159.13159	2.2
163.11296	5.2
167.00642	1.6
169.09807	8.4
179.14233	1.9
181.12340	6.7
199.10895	9.0
236.16556	5.3
251.22652	1.9
267.01083	2.1
296.18698	3.0
301.76407	2.0
314.19855	86.1
315.20117	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	314.1975
Annotation	Butoctamide hydrogen succinate
Peak:m/z	Relative Intensity
50.92581	1.4
57.03453	22.3
58.00596	8.2
59.01377	6.3
69.04598	1.9
69.04996	13.7
71.05018	1.8
72.02172	11.5
73.02946	12.9
79.31385	1.3
81.03419	1.3
81.26098	1.5
83.05019	1.5
84.02164	4.4
85.06599	2.3
86.29957	1.4
87.74570	1.7
95.05035	2.6
96.96033	1.4
97.06617	1.9
99.00888	5.7
99.04504	3.0
101.06091	65.4
109.02947	4.7
111.08179	12.9
112.87172	1.6
113.06091	10.4
114.05660	1.8
125.02446	5.7
127.07623	2.2
129.10365	6.1
130.08749	8.3
135.04552	2.0
143.03563	3.6
144.10301	15.9
149.06093	2.6
151.11342	2.0
153.05653	1.5
192.52779	1.4
197.11897	2.5
198.12631	25.7
225.14963	15.6
226.41144	1.6
230.11620	4.7
238.19260	2.7
269.11212	1.8
270.20764	73.6
271.21027	3.7
314.07394	1.9
314.19766	100.0
314.23093	4.9
315.20154	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	314.2087
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
52.05435	0.3
53.00494	0.4
58.07730	0.4
58.34423	0.4
59.01409	0.6
66.03490	0.9
69.36497	0.8
69.36911	2.4
70.02972	0.9
82.06623	2.9
84.08208	1.1
87.05645	22.2
88.04049	0.7
95.18210	0.4
95.32163	0.4
97.04083	6.0
97.06606	1.2
98.22552	0.9
107.26817	0.4
109.02959	0.7
112.07698	0.5
112.20029	0.4
125.02436	0.7
127.05123	0.8
127.11359	0.4
128.07207	0.7
129.06708	0.5
129.10350	1.9
130.08749	100.0
131.09106	2.1
140.10840	0.7
149.06122	0.6
153.10342	5.5
155.11917	5.4
157.13445	3.4
182.12953	0.6
182.15567	2.8
183.11398	18.4
184.11749	0.6
199.18169	14.7
200.14006	1.0
200.18431	0.9
209.16570	0.6
243.16930	0.5
270.21902	13.4
271.09766	0.8
271.21921	0.7
314.20755	67.6
315.21075	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	314.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85714	0.4
58.05873	0.4
59.01383	8.7
65.48444	0.5
70.02988	0.6
71.13918	0.9
73.82418	0.5
80.05025	0.5
82.06648	0.6
87.05640	9.2
87.69408	0.5
88.04037	0.8
88.66437	0.4
90.58978	0.5
97.04093	1.5
97.06633	0.8
109.02951	0.9
121.02920	0.5
122.35561	0.4
123.04588	0.6
125.02455	1.8
129.10352	7.0
130.08746	100.0
131.09085	2.2
135.04524	0.8
135.74602	0.4
139.08784	0.5
140.10828	1.1
141.10277	0.5
153.10355	4.2
155.11909	4.5
157.13464	11.7
158.13814	0.8
183.11392	15.4
199.18158	10.2
200.14143	0.9
201.12346	0.7
212.14024	0.5
238.19221	0.5
238.62646	0.4
245.13766	0.9
252.20868	0.6
254.21036	0.4
270.21896	15.7
271.22189	1.3
314.20782	77.5
315.20969	5.3
329.40741	0.4
330.00851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2089
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
54.29506	0.6
57.03433	2.5
59.01374	2.5
66.03497	0.7
69.42094	2.0
69.42505	2.3
71.01373	2.5
73.30766	0.7
76.72673	0.6
82.06623	2.9
83.02514	1.0
84.04491	0.6
88.04048	100.0
89.04362	1.9
97.06580	0.7
98.56781	0.6
99.00886	0.7
100.07738	0.7
104.03526	0.9
108.02193	1.3
109.02974	7.5
111.36544	0.7
114.05619	73.1
115.05967	1.3
115.08768	0.7
116.03519	0.7
116.07182	15.2
119.03535	0.7
125.02431	5.2
129.10362	6.0
130.08775	1.3
134.03770	0.6
135.04538	10.1
139.08798	2.2
140.07187	4.7
140.10849	1.2
149.06081	5.5
155.08316	1.1
157.13472	9.6
157.14650	0.9
161.06053	3.3
169.09837	12.2
169.13380	0.8
171.15027	3.1
182.08467	0.7
190.02702	0.9
191.03442	2.1
192.03862	3.4
195.15047	2.6
197.13036	1.5
197.16629	3.5
199.10909	11.0
201.12494	1.8
225.16064	16.2
226.16560	0.9
226.19234	0.8
227.14053	0.9
232.70822	0.7
242.05957	2.4
255.06561	2.8
270.08630	2.1
270.21936	6.5
271.09665	5.4
271.22092	0.9
314.17239	13.6
314.20898	60.3
315.08463	0.7
315.13354	3.2
315.17679	0.7
315.21130	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	314.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21367	0.4
54.30751	0.4
59.01383	0.5
66.03488	0.8
69.13624	4.3
71.01370	0.4
73.04080	100.0
74.04417	0.7
80.05074	1.2
81.07135	0.5
82.06651	1.5
82.10217	0.4
83.02532	1.0
84.03292	0.9
84.08210	1.3
94.06633	2.1
96.08221	0.9
109.02954	0.7
121.41369	0.4
125.02515	0.9
129.10374	0.6
130.08737	1.1
139.08807	1.8
140.07204	13.5
140.08325	0.6
141.07556	0.5
141.10368	1.7
143.08211	0.4
149.09712	0.6
150.10101	1.3
153.10376	1.7
155.11887	2.4
161.06104	1.0
164.14452	2.6
169.09898	0.8
182.12669	0.4
195.15140	0.7
197.11838	0.7
197.16614	6.1
208.13434	14.8
209.13802	1.2
221.16808	0.5
225.16115	4.6
226.11870	0.8
227.14931	0.6
231.19437	0.5
238.19266	30.0
239.19669	1.4
254.18808	0.8
257.18674	0.9
279.88416	0.4
282.18274	11.1
283.18811	1.2
297.98215	0.5
299.99301	0.6
314.20737	7.1
315.20981	0.5
339.13004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2338
Annotation	Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
51.06983	0.5
52.79330	0.5
59.01377	0.6
61.98805	0.6
81.44640	0.6
92.67316	0.5
93.75353	0.6
99.04482	1.1
195.17596	1.7
211.17039	2.6
227.16475	1.1
239.16510	3.5
255.16083	1.4
263.16492	1.5
278.21140	1.5
281.17545	1.5
296.22382	6.3
297.22659	0.7
314.23392	100.0
315.23761	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.234
Annotation	O-Decanoyl-L-carnitine
Peak:m/z	Relative Intensity
57.03457	0.8
59.01382	100.0
60.01713	0.9
70.51330	2.1
85.21444	0.7
101.06127	0.8
116.71612	0.7
121.02897	0.9
130.08739	0.7
150.29048	0.7
157.29082	0.7
206.82883	0.8
254.21196	4.2
256.19211	2.8
265.44269	0.7
314.15659	3.7
314.23386	76.0
315.20578	0.8
315.23630	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	314.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11852	1.2
51.32241	1.2
59.01382	27.5
70.06733	5.9
70.16877	1.3
83.05052	1.9
94.05167	1.4
97.98874	1.3
98.22443	1.6
102.58806	1.4
106.66575	1.2
127.11263	1.7
130.08768	6.5
151.71899	1.2
171.10295	1.7
177.55284	1.2
222.14323	1.3
296.22247	3.2
314.23434	100.0
315.23767	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	315.0728
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.56764	1.1
59.01386	7.0
65.84403	1.2
68.58675	1.2
69.69764	2.6
69.70181	5.5
71.01389	4.7
73.02937	1.2
74.02483	2.8
81.04603	1.4
82.11793	1.3
83.06134	1.7
85.02960	3.4
88.04043	2.5
95.01401	2.8
98.21764	1.4
108.02187	100.0
108.05720	1.2
109.02978	54.3
109.03717	2.9
110.03284	1.8
114.50494	1.2
123.00900	2.3
125.02399	1.5
127.05178	2.0
128.03554	4.1
131.08290	27.9
137.32198	1.1
145.06226	3.0
150.05228	2.6
151.04054	1.6
152.01173	67.2
153.01965	62.6
154.02342	2.3
156.07806	1.5
163.04019	2.0
169.09886	1.4
172.01044	11.0
173.10422	4.0
187.10814	2.0
192.02779	1.8
194.07872	1.6
195.02951	1.3
196.05783	14.8
207.38239	1.2
214.05615	1.5
224.97113	1.7
231.08418	3.6
238.06865	52.3
239.07022	5.4
249.22702	1.2
255.09525	36.4
256.09824	3.4
272.16092	1.3
273.10403	1.8
299.08411	1.5
304.94626	1.2
315.07239	76.3
315.16907	2.1
316.07446	5.4
316.15173	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	315.0877
Annotation	Ougenin
Peak:m/z	Relative Intensity
50.58832	0.4
59.01383	2.6
69.01881	4.0
71.57815	0.3
77.39780	0.3
88.04050	2.1
91.05582	0.4
93.03429	0.5
95.05018	0.6
106.04225	0.5
107.05041	1.4
108.02200	1.1
109.02963	39.9
110.03300	1.2
114.05637	1.0
115.06011	0.7
116.07182	5.3
117.03467	0.8
120.99739	0.4
121.02990	1.0
122.03762	1.4
125.02472	1.0
130.08775	0.9
133.02988	2.6
134.03757	1.6
135.04541	100.0
136.04860	3.4
143.05052	1.1
143.11942	0.7
145.02977	4.5
146.03734	0.8
149.06097	53.2
150.06398	1.8
159.04573	0.6
161.06096	28.6
162.06488	1.9
169.09775	0.6
178.48071	0.4
179.03519	6.5
180.03893	0.5
185.06143	1.0
185.16617	2.4
199.10878	0.5
205.05106	2.4
209.06070	1.2
227.07057	0.6
237.05516	2.4
238.06390	1.4
240.04372	0.8
242.18846	1.1
253.08638	0.6
254.05844	1.0
255.06659	26.3
256.07062	1.8
271.09766	9.4
271.12543	0.7
272.10168	0.7
286.17725	0.9
315.08765	10.5
315.12231	0.7
315.17517	0.7
315.20972	1.8
316.09216	0.9
316.18616	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	315.1088
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03447	1.1
59.01383	25.9
61.50608	0.7
70.03004	1.2
70.19988	0.8
70.24092	2.6
71.01388	12.9
71.02404	0.7
72.99295	0.9
73.04067	3.2
74.02473	2.6
75.91844	0.9
81.03433	0.8
84.69456	0.7
85.02976	1.9
87.05631	4.6
88.04057	4.9
89.02447	14.1
93.03494	1.0
95.05043	1.1
96.00936	2.4
97.02975	1.5
98.02491	1.3
98.22482	1.1
99.00885	1.7
101.02448	7.8
106.10356	0.8
108.02178	1.1
109.01704	3.5
109.02937	5.5
112.08378	0.9
113.02458	5.3
113.03595	1.2
116.07215	4.6
119.03515	6.1
123.04536	67.2
124.04041	1.2
124.04873	2.3
125.02470	7.2
125.03408	1.3
126.02767	4.5
127.05134	1.3
128.03601	1.3
130.08748	9.4
132.07982	0.7
135.04541	30.3
136.04749	0.7
141.10213	0.9
143.03519	2.9
143.11938	4.3
149.06110	5.2
151.07690	1.4
152.03502	1.6
153.05588	100.0
154.05943	3.4
161.04863	0.9
161.06125	3.0
166.08742	1.6
167.04671	1.1
171.15086	2.4
179.03638	0.9
179.05562	1.3
184.07359	1.1
201.12440	1.4
210.07774	4.3
223.10651	0.9
228.17200	1.1
254.15111	1.3
255.06645	1.8
271.09680	0.9
272.16083	1.7
281.11444	3.2
298.14050	8.4
315.10959	24.4
315.16782	8.0
315.20450	2.8
316.11334	1.6
316.15244	1.8
316.18927	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
60.54468	0.3
70.83257	0.5
70.83591	0.6
75.47949	0.3
135.08197	1.5
151.11314	1.2
163.07663	4.1
164.08336	0.6
172.98743	0.4
185.06032	0.4
187.07776	0.4
196.07428	0.6
198.81200	0.4
201.09235	1.9
203.14412	1.0
213.12701	0.4
215.10797	0.9
217.07202	0.4
227.10904	0.5
229.12257	0.4
231.13913	0.6
239.14467	1.3
243.10297	1.0
244.11105	1.6
254.16791	8.4
255.17142	1.0
257.11804	0.4
257.15512	1.4
267.13861	1.5
269.19135	10.6
269.24954	0.6
270.19403	1.0
271.17133	1.3
282.16251	4.9
283.16507	0.4
285.18695	0.8
286.15848	0.5
287.20190	10.8
288.20660	0.9
297.18533	0.9
299.16589	0.5
300.17258	0.7
315.19672	100.0
315.24911	5.1
316.20016	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
66.30318	0.6
75.20896	0.5
78.97527	0.5
123.17687	0.4
173.50180	0.4
189.18408	0.5
223.02867	0.7
224.64659	0.5
225.02597	2.3
229.57564	0.6
239.14528	0.6
244.10912	0.5
254.16779	7.5
255.17036	0.6
267.13840	2.7
269.19159	3.7
282.16263	46.5
283.16641	3.9
286.15771	0.9
297.18649	1.3
315.19659	100.0
316.20001	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82556	0.5
55.61533	0.5
59.26324	0.5
69.27257	4.2
87.15094	0.6
95.85263	0.5
120.24115	0.5
127.55472	0.5
128.21405	0.5
135.77576	0.5
137.85185	0.4
223.78345	0.5
229.08693	2.2
243.10295	1.2
244.10985	3.8
285.14975	0.8
299.16647	1.2
300.17236	1.8
315.19672	100.0
316.20041	8.7
332.16168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
67.92973	0.7
69.45755	4.5
72.00913	2.9
76.30589	0.7
84.88829	0.9
91.05557	1.7
114.09229	1.7
118.06647	55.0
119.06941	2.0
141.10378	6.1
147.04539	18.2
148.04825	0.9
151.08746	3.0
153.10406	1.4
164.07178	34.9
164.08574	1.7
165.07530	1.0
189.76060	0.8
204.84842	0.7
245.16594	16.5
246.16953	0.8
289.15604	100.0
290.15964	8.4
316.16669	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	316.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61188	0.5
70.47600	1.1
73.04071	7.9
74.02472	1.1
114.09210	0.8
115.98289	0.6
116.05083	6.1
129.05847	0.7
129.10347	1.0
130.06665	13.1
130.08749	70.0
131.06967	0.6
131.09070	1.7
135.04584	3.6
136.04858	3.5
141.10374	4.2
142.06613	3.7
143.11914	12.0
146.70393	0.6
153.70352	0.5
157.07727	3.6
161.04826	1.1
175.33464	0.5
180.03815	0.7
187.10887	28.9
188.11264	0.9
199.10858	0.9
255.15039	1.2
272.17709	10.2
277.34781	0.6
316.16669	100.0
317.16995	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	316.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15919	4.1
60.25470	4.2
61.45269	3.7
61.69227	3.9
65.79647	4.2
68.98898	4.6
71.31445	5.3
74.02479	20.9
82.06641	6.8
88.07655	4.9
107.33771	4.3
112.07697	5.0
115.67227	4.3
115.68052	4.2
116.05011	21.2
120.29387	4.2
126.09281	5.1
129.10345	39.3
130.06602	5.1
130.08702	10.7
143.11928	22.6
169.09944	7.4
187.10892	58.7
203.08311	14.4
272.17694	12.5
316.13257	10.6
316.16669	100.0
317.17184	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	316.1881
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.45207	3.5
58.58912	4.1
59.01394	20.4
71.31168	8.1
73.04064	12.7
76.67902	3.9
95.05025	4.8
97.06590	13.7
112.31188	4.1
116.07185	29.6
126.05648	6.6
130.08743	84.9
155.08342	4.7
157.08679	8.6
185.16583	56.2
238.18233	4.5
242.18829	19.2
286.17734	19.2
316.18591	70.8
316.21368	100.0
317.21994	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	316.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85080	1.5
59.01383	100.0
60.01705	1.8
62.59894	1.8
65.44717	1.6
70.19842	6.7
92.05085	3.1
114.09297	2.2
127.39097	1.7
130.08710	1.7
137.09740	5.1
143.11908	2.4
143.41034	1.7
148.04042	1.9
172.61438	1.8
197.25934	1.7
200.16571	6.6
210.59671	1.5
238.18124	11.1
275.11423	5.6
286.14059	3.4
293.79657	1.7
298.20398	2.8
316.21304	59.0
317.21603	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	317.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53400	4.4
58.00639	4.2
59.01379	24.5
71.01389	34.6
71.31221	7.5
72.99323	24.0
73.04085	6.9
74.02482	12.4
75.00902	10.0
75.60509	4.6
78.95912	5.6
80.96535	20.4
81.03476	10.9
83.05038	20.8
87.00897	17.0
87.05643	5.4
88.04057	46.2
89.04386	11.5
93.03487	13.0
95.05048	16.5
97.06623	6.2
98.02516	4.2
99.00896	100.0
99.04549	4.9
101.02448	5.2
105.01976	7.4
107.05039	25.7
108.05688	13.4
111.00948	4.8
111.04575	9.9
113.06089	22.5
115.00390	16.6
115.08747	5.4
119.05061	9.1
121.06581	4.8
123.04538	14.5
124.04015	4.8
125.02492	5.3
125.06116	14.7
127.04041	5.2
128.03557	4.8
129.00424	4.9
129.10336	5.8
130.08749	12.1
133.01462	31.2
135.03004	14.4
135.04527	6.3
137.02516	6.8
139.03993	6.9
141.05576	17.1
145.01459	17.7
145.09819	5.3
145.99086	4.7
149.06102	12.6
151.04044	30.9
153.07813	11.7
157.05083	9.0
159.01630	8.7
159.02994	67.8
164.98555	6.3
169.05145	9.3
174.99286	7.3
180.06697	14.4
186.12538	6.0
201.13541	4.2
211.06151	30.1
213.04063	30.5
225.00813	7.7
227.15866	5.1
234.69139	4.6
255.05124	16.1
273.06216	44.5
299.14355	9.1
316.20670	12.1
317.05319	62.1
317.12561	13.3
317.21259	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	317.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57553	2.5
75.36972	2.4
80.29280	2.5
106.06634	97.5
107.06955	5.1
108.69885	2.7
110.02499	3.7
116.05121	5.2
122.06161	3.2
124.04018	2.8
132.04601	4.1
138.05643	13.4
140.07185	15.5
144.08174	3.6
150.05618	13.3
152.03546	44.0
166.05110	17.2
167.05896	100.0
168.06258	3.7
170.09863	2.6
180.06764	3.3
186.12888	9.8
194.04517	2.9
200.07172	5.5
201.07953	18.4
215.09546	9.7
225.06737	4.4
225.71266	2.6
226.07494	3.8
228.76596	2.9
230.11870	36.5
231.12372	2.8
240.09109	4.8
255.11409	48.0
256.11847	2.9
273.12485	61.3
273.15149	2.2
274.10834	8.0
282.18054	2.5
285.08600	4.0
299.10266	13.9
317.11462	59.4
317.14825	3.6
318.11679	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01386	8.4
60.41333	0.7
61.78141	0.6
65.21299	0.7
70.02967	1.1
71.01373	1.7
71.05028	6.3
71.32819	0.8
74.53699	0.7
83.05042	1.0
89.02452	1.8
91.04006	2.0
94.47128	0.8
97.02950	4.5
97.06560	3.8
99.00885	58.8
100.01208	1.1
109.06612	2.7
120.10007	0.8
123.08187	1.7
125.09721	12.8
135.08165	1.0
142.02725	1.4
155.14445	1.6
160.59679	0.8
161.09721	1.2
163.11299	10.2
179.10846	0.9
181.12352	19.1
182.12668	1.7
197.11890	1.0
198.11583	0.7
199.13402	22.2
200.13747	0.9
207.10275	43.4
208.10629	2.9
225.11327	100.0
226.11603	6.2
243.12370	79.1
244.12769	4.9
317.16058	76.5
317.19370	3.9
318.16327	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	317.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
59.01390	11.7
61.07788	1.5
69.30622	3.4
69.31026	8.1
70.54518	1.8
71.01397	3.0
71.05012	3.6
75.10918	1.6
77.62191	1.7
82.57580	1.8
83.05020	4.5
89.02488	1.6
91.04013	2.8
97.02959	5.9
97.06604	4.3
99.00897	50.2
112.97408	1.6
123.08197	2.0
125.09760	14.2
126.56400	1.4
155.14421	2.3
163.11349	7.5
164.07153	1.8
181.12381	21.4
189.07780	2.1
198.06891	3.1
199.13417	31.0
207.10298	37.8
208.10637	2.4
213.09229	15.0
214.09895	2.0
218.86952	1.6
225.11359	100.0
226.11697	5.2
229.12173	7.6
243.12408	78.9
244.12794	4.4
247.10873	1.8
273.11441	3.9
317.10541	2.7
317.16098	66.5
317.19464	2.9
318.16464	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	317.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
59.01378	5.5
64.67642	2.3
66.63454	2.2
69.03893	22.2
69.04315	5.5
71.01417	2.6
71.05016	6.5
72.62891	2.2
73.60902	2.3
77.02968	2.3
89.66028	2.4
91.03986	3.2
97.02959	8.2
97.06570	2.8
98.21811	5.7
99.00883	33.1
106.16621	2.5
112.32047	2.5
118.64970	2.7
125.09743	11.4
128.44423	2.4
142.02782	2.7
153.12816	3.9
163.11295	16.6
172.84320	2.7
181.12357	57.2
184.88708	2.4
199.13405	41.4
207.10280	58.5
207.33908	2.8
208.10658	4.3
225.11331	99.2
226.11630	5.0
243.12367	100.0
244.12697	6.7
317.16068	63.4
318.16321	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47717	0.7
55.01869	1.5
57.03447	1.7
57.13551	0.9
57.21841	0.7
59.01382	7.9
66.02404	0.9
69.03438	0.9
69.11845	3.7
69.12272	4.3
71.01373	3.7
71.05025	6.9
71.79066	0.8
72.99277	1.0
83.05017	2.7
88.10194	0.7
89.02440	2.3
91.04018	3.1
95.04987	1.3
97.02950	5.4
97.06589	4.0
99.00890	32.0
101.02450	2.7
109.06606	2.3
110.03761	1.2
123.08182	1.4
124.01669	0.9
125.09721	12.5
127.11304	1.8
130.08786	1.8
135.04524	3.0
135.31293	1.0
136.05330	1.1
140.49336	0.8
142.02730	1.9
151.07652	1.3
153.12845	1.2
155.14369	1.5
161.09738	0.9
163.11284	14.6
179.10663	1.4
181.12355	51.2
182.12665	2.7
197.11812	2.0
199.13409	36.4
199.15251	2.2
205.46227	0.9
207.10263	52.2
208.10620	3.3
213.09341	0.9
225.11330	94.1
226.11621	4.3
229.08716	3.7
243.12372	100.0
244.12645	5.6
255.11357	2.7
273.12421	7.3
317.16086	65.9
318.16495	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	318.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	4.0
66.60754	2.9
67.95146	2.8
70.51612	3.6
70.51957	8.3
74.02470	6.9
76.20991	3.1
76.85253	2.9
81.03455	13.5
86.47993	3.2
108.04426	2.7
113.03571	3.6
133.02904	3.0
136.04057	8.2
142.28381	2.7
145.71126	2.9
148.04083	14.1
149.04765	3.8
150.05650	3.1
154.44568	2.9
172.07703	12.2
174.09270	6.1
178.03893	3.1
179.44130	2.8
182.06075	7.0
184.07635	3.8
200.07201	28.6
203.08246	4.6
211.06487	4.5
212.07217	38.3
230.08253	100.0
231.08591	5.5
300.09616	3.5
318.14807	5.6
318.22772	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	318.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07853	1.5
51.78556	1.6
53.65859	1.5
55.01878	2.0
58.00580	4.5
59.01382	97.5
59.62892	1.4
62.89235	1.5
66.03472	2.7
70.93081	3.0
71.01388	61.0
72.99299	5.6
73.02933	2.4
74.02471	5.5
83.01368	2.6
85.02956	13.3
87.00829	2.5
89.01884	1.7
89.02452	64.9
94.06633	100.0
95.01418	3.1
95.06976	2.2
97.02916	1.9
99.00907	1.7
101.02452	40.6
101.03117	2.7
103.91995	1.8
113.02461	25.9
116.92888	1.8
119.03510	36.6
131.03474	3.3
132.03027	4.3
138.05617	11.0
143.03513	2.1
143.11908	2.7
156.06631	1.9
161.04588	2.9
164.07161	2.7
166.32506	1.5
169.13330	1.7
179.05609	2.7
185.00548	2.3
244.12878	1.7
274.14056	4.7
318.11948	92.3
318.19312	8.8
319.08466	1.9
319.12354	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	318.1675
Annotation	Leu-Thr-Ser
Peak:m/z	Relative Intensity
53.31886	1.4
58.02976	1.3
69.25246	4.6
69.25667	6.2
71.02509	3.2
72.00914	5.5
73.04078	28.5
74.02484	79.5
80.75562	1.4
82.06670	2.4
83.02515	7.9
86.02486	5.2
87.05637	1.7
98.22556	2.6
98.23758	1.5
104.03548	37.8
107.94503	1.5
112.10180	1.6
117.06702	6.2
125.10842	1.9
126.09261	5.6
129.10254	1.7
130.08737	3.4
138.09268	2.1
139.08781	9.5
140.07220	5.0
141.10342	13.1
143.11922	42.7
153.10402	4.9
155.11925	57.2
169.09850	30.4
169.13300	1.4
171.11435	2.9
173.12941	5.3
186.12604	2.0
187.10916	13.1
200.14069	33.8
212.14063	43.6
213.12492	8.8
224.64040	1.3
230.15102	6.3
231.13516	12.8
244.13051	42.6
245.13297	2.5
247.64546	1.6
256.16776	1.9
270.14560	1.9
274.14105	7.7
288.15689	56.0
288.18967	2.9
289.16025	3.1
300.15564	3.8
318.16736	100.0
319.17145	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	319.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81240	16.1
61.98855	24.7
71.31197	18.8
74.05718	17.7
79.37293	15.8
117.74788	16.8
129.10376	99.5
147.04546	31.5
164.07149	89.1
171.11394	59.5
233.16548	53.5
279.74234	16.9
319.16397	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	319.1914
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
51.51760	0.5
57.03228	0.5
57.03455	7.1
59.69156	0.6
62.94513	0.5
69.03442	1.5
71.01388	11.1
91.05546	0.9
97.06608	0.6
99.04517	6.2
111.14494	0.6
112.24647	0.5
201.12817	1.4
217.15976	51.2
218.16341	3.9
219.13878	1.9
229.15952	1.5
261.14923	0.6
287.98383	0.6
301.18152	2.1
319.19150	100.0
320.19516	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	320.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29599	1.2
59.01374	4.6
69.38834	6.7
71.01403	1.9
72.00928	5.5
73.04078	16.1
74.02471	1.0
83.02521	3.0
87.05659	1.5
89.02440	2.7
91.05544	7.4
101.02447	2.0
115.08786	23.1
116.07189	10.9
118.06675	2.2
119.57742	1.0
123.39928	0.9
125.07241	6.0
127.08807	4.8
129.10364	1.1
146.06108	1.2
147.03375	1.7
147.04541	24.3
154.09854	9.0
155.08290	8.9
161.02495	2.4
164.07178	65.9
165.07523	3.7
172.10939	71.0
173.11241	2.4
202.12421	4.3
203.08299	3.3
219.15048	17.0
228.10501	1.0
276.17215	10.7
320.16193	100.0
321.04129	1.4
321.07657	2.0
321.16342	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	320.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.9
61.69778	0.6
65.99331	0.6
70.99335	0.8
71.01368	0.8
73.04078	70.0
74.02485	1.4
83.02521	12.4
85.46452	0.7
89.02466	0.8
91.05585	0.8
98.21701	1.7
116.07189	100.0
116.99086	0.9
117.07532	2.1
119.05110	0.7
123.84906	0.7
131.05045	5.4
135.04507	0.7
146.06088	1.5
147.04506	1.8
155.08302	1.3
164.07158	2.4
171.25128	0.7
172.10971	4.9
199.72940	0.8
202.12392	36.9
203.08279	25.0
203.12619	1.8
204.08693	1.4
214.76201	0.7
219.61873	0.8
231.10106	0.7
246.11375	3.1
263.14032	1.7
315.68274	0.8
320.16190	82.5
321.16599	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
58.00580	1.6
59.01382	41.4
69.29259	1.8
69.29663	4.2
71.01382	21.0
72.99294	2.9
73.02939	1.9
83.01373	1.7
85.02961	4.8
86.87423	0.7
87.00900	1.7
89.02452	19.8
95.01392	2.3
99.00887	1.0
101.02445	16.1
113.02442	7.9
113.09732	29.5
119.03502	8.8
127.11278	0.7
141.09222	6.8
143.10799	1.8
155.10780	3.3
159.10271	69.0
160.10583	1.5
161.04619	1.0
179.05719	1.4
201.11336	2.9
241.00221	0.8
321.15549	100.0
322.15857	7.0
327.91583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2074
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01384	100.0
61.98828	2.1
69.71233	1.4
69.71646	2.6
98.21742	1.0
103.04058	0.8
136.96971	0.8
146.63202	0.8
159.34250	0.8
160.89992	0.9
166.58771	0.7
172.50082	0.8
200.66290	0.7
205.16013	0.9
277.18045	1.3
277.21768	2.1
321.20721	45.2
322.21054	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	322.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	1.2
59.01384	12.9
69.66751	0.8
69.67697	4.7
71.01379	2.1
72.00912	27.4
75.96951	0.9
78.95915	3.3
89.02431	1.8
96.96976	1.3
99.97261	0.9
101.02424	1.2
103.05548	1.5
119.05029	1.3
137.99442	0.8
141.98207	6.3
146.06175	1.0
147.04532	68.9
148.04860	2.8
158.09790	0.8
160.42665	0.8
164.07176	100.0
165.07555	4.3
166.27089	0.8
174.99239	1.6
187.98805	6.6
201.60616	0.8
229.99936	1.4
272.35483	0.9
322.06091	79.3
323.06238	5.3
323.13608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38971	0.6
52.43034	0.5
52.69572	0.6
57.03473	0.7
59.01390	2.9
69.55712	3.1
71.01402	1.2
72.36446	0.6
73.02955	0.8
73.41007	0.6
80.05118	0.7
80.96507	0.8
81.03477	1.5
89.02438	1.1
93.03476	1.9
95.05061	1.6
96.96049	0.8
98.06113	4.3
99.04555	1.0
100.47702	0.5
101.02431	1.4
103.92016	0.7
105.03494	0.7
107.05070	2.9
108.02177	1.7
109.03009	0.8
109.22843	0.6
119.03490	0.6
121.02977	1.6
122.03763	5.9
123.04543	80.0
124.01682	0.8
124.04050	6.3
124.04894	2.5
133.02950	1.0
134.03738	1.7
135.04541	9.0
137.02484	1.5
145.02919	0.7
145.07719	4.8
150.05589	0.6
152.07169	7.7
154.02759	1.0
161.02467	1.4
161.04573	0.9
177.97232	1.6
178.05087	1.0
179.03546	0.6
186.05617	1.4
194.42337	0.7
218.08147	0.8
234.11374	100.0
235.11720	5.8
260.09277	6.0
278.10355	20.2
279.10666	1.6
304.08203	0.9
322.09305	5.1
323.08310	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.33291	1.4
57.03445	4.7
58.00580	4.5
59.01383	100.0
69.36488	8.8
71.01387	61.0
72.99325	5.8
73.02950	3.0
78.10551	1.1
80.96532	3.4
83.01392	3.8
85.02958	12.1
87.00874	2.6
89.02453	70.1
95.01401	5.3
99.04520	4.5
101.01812	2.6
101.02452	35.3
113.02460	26.0
116.05074	39.2
117.03456	2.0
117.05422	1.5
119.03523	24.9
125.02480	1.6
131.03464	2.1
133.02962	2.4
135.04517	1.4
143.03462	2.3
145.02968	2.0
145.07703	1.8
146.06081	1.5
149.04575	1.5
160.04054	68.8
161.02458	4.7
161.04515	11.3
175.03983	1.9
177.01920	5.6
179.05576	5.9
194.32042	1.3
202.05101	30.7
202.06883	2.5
203.03563	1.5
203.05391	2.7
232.06197	4.7
232.21059	1.5
262.04477	1.6
262.07205	46.2
263.07620	5.0
281.04489	2.6
295.06049	5.7
300.07947	1.2
322.09341	54.5
322.15552	2.0
323.05576	13.0
323.09464	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	322.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81178	0.4
58.00594	0.5
59.01383	18.9
63.99678	0.4
69.48816	0.9
69.49226	2.0
71.01385	5.5
72.99307	1.3
74.98813	0.4
82.02980	3.5
83.01413	0.6
87.00919	0.5
89.02447	4.8
98.21752	0.5
101.02453	4.0
119.03538	1.2
137.75327	0.4
145.07727	100.0
146.08102	3.3
161.02478	0.9
161.04581	0.8
170.07245	1.1
173.07199	0.7
185.10783	0.6
187.08696	0.6
188.08301	77.0
189.08687	2.7
210.10405	1.8
213.10413	0.8
214.09874	29.2
215.10150	1.7
226.09830	0.6
228.11526	2.1
238.09818	0.9
256.10931	20.4
257.11288	2.2
261.12436	1.0
268.10901	0.8
275.44809	0.5
279.13477	1.7
286.11942	0.9
304.13101	2.6
322.14075	9.8
322.20319	0.5
323.14572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.9595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19707	0.2
52.10848	0.2
53.14671	0.2
59.01379	1.2
61.98835	2.8
78.95915	1.7
96.96982	0.7
100.62344	0.2
119.93776	0.8
121.93466	0.7
133.69328	0.2
134.96100	12.4
134.98862	0.3
135.96138	2.3
136.94029	49.2
136.95700	14.0
137.94098	9.9
138.93724	57.6
139.93710	0.9
151.72922	0.2
151.92738	2.8
152.91733	0.3
152.92841	0.7
153.92424	2.6
178.95078	81.3
178.97801	7.9
179.95190	19.7
179.98010	1.2
180.94760	100.0
180.97591	4.7
181.92523	0.4
181.95053	2.6
196.92833	0.2
196.96126	1.1
198.95796	1.6
211.12444	0.2
236.95988	0.4
238.93866	0.6
250.87077	0.3
278.97046	3.6
280.94974	6.4
281.95129	0.5
286.14594	0.2
294.92838	0.3
315.32138	0.2
322.96024	64.6
323.96155	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
58.27028	0.3
59.01386	2.2
70.02954	0.3
70.11156	0.8
70.11559	0.4
71.01373	1.0
78.95911	100.0
89.02444	1.2
96.96969	49.9
101.02461	0.3
111.02015	10.0
111.36349	0.3
117.46622	0.3
119.03462	0.6
119.59504	0.3
138.98019	4.4
149.24001	0.3
150.98026	4.1
180.06676	0.6
187.90067	0.3
192.99115	1.5
211.00153	8.1
230.42369	0.3
269.84430	0.3
280.02280	3.0
323.02872	27.7
323.13544	1.2
324.03210	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	323.0286
Annotation	Uridine monophosphate (UMP)
Peak:m/z	Relative Intensity
53.52805	0.4
59.01395	0.5
69.32797	2.5
71.01401	0.7
72.15485	0.5
78.95911	100.0
86.99017	0.4
96.96970	49.0
111.02016	10.0
122.40623	0.4
126.98893	1.5
138.98021	3.8
150.89449	0.5
150.98039	4.2
156.46326	0.4
163.77934	0.4
164.03601	0.4
192.99106	1.8
211.00131	6.1
280.02393	2.6
323.02875	27.2
323.06915	0.9
324.03073	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	323.0774
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.12956	0.4
55.13515	0.4
59.01385	6.5
69.16038	3.2
71.01392	3.9
73.04085	1.3
74.02489	0.7
80.32986	0.3
85.02965	1.9
88.04065	1.1
89.02460	3.2
95.01432	1.0
101.02431	2.3
106.26085	0.3
108.02200	0.5
109.02950	1.8
113.02447	2.7
114.01994	0.9
114.05634	0.4
119.03546	1.3
119.05035	6.8
128.03566	0.7
129.03473	2.3
130.04250	1.7
130.06264	1.1
131.05115	0.5
133.02963	4.1
135.03654	0.4
135.04565	2.7
145.02959	1.1
146.03740	2.1
147.04533	15.4
148.04909	0.7
157.02975	0.5
158.03761	2.1
161.02463	14.5
161.04585	0.8
161.06085	0.9
162.02776	0.6
164.07195	0.6
166.98589	0.3
167.01790	0.4
172.05354	0.6
173.02501	0.8
173.06125	1.1
174.03229	7.0
175.04015	53.6
175.44402	0.4
176.04343	2.5
177.05545	0.6
179.03589	1.7
187.04005	0.5
189.05615	1.4
201.05591	1.5
203.03514	100.0
204.03853	5.0
217.05069	1.8
233.04550	3.5
237.06282	0.4
245.04587	3.7
279.11746	1.4
293.13699	0.4
323.08185	0.6
323.13562	5.1
323.17349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	4.6
57.03453	81.6
58.00587	3.7
59.01386	100.0
60.01700	2.6
64.80167	2.5
71.01388	58.4
71.18286	6.9
72.99303	6.1
73.02950	23.9
79.05567	4.3
80.24139	2.9
81.03455	6.0
83.01386	12.8
83.05035	5.1
85.02945	8.5
87.00871	3.2
88.04044	4.6
89.02453	53.4
95.01402	5.2
96.96001	11.9
97.06560	4.5
99.04525	61.0
100.04868	3.0
101.02451	67.6
113.02449	24.9
119.03526	18.3
119.05033	3.0
123.04527	20.1
125.02457	18.1
128.74182	2.6
131.03482	7.1
133.03001	4.7
135.04483	4.0
141.05630	4.2
143.03522	10.9
149.04588	4.7
152.43248	2.6
161.02600	13.4
161.04561	97.4
162.04858	2.6
168.65068	2.9
179.03493	2.8
179.05620	22.0
192.48535	3.1
203.05690	4.6
233.06648	6.8
263.07761	14.6
272.01736	2.5
295.06110	3.0
323.05673	3.1
323.09927	7.2
323.14832	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	323.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59137	0.7
57.03448	1.8
58.00597	2.1
59.01385	47.6
60.01698	0.8
69.18849	7.0
71.01395	10.8
72.99302	3.0
73.02944	1.3
80.96544	1.3
83.01385	1.3
85.02938	1.1
88.33155	0.8
89.02460	9.5
99.04517	1.3
101.02447	9.4
109.18441	0.7
113.02511	0.8
113.10938	0.7
117.50072	0.7
119.03512	2.1
133.02956	0.8
145.07713	3.0
146.04919	1.0
160.06430	16.9
161.02425	2.5
161.04530	3.2
161.07219	65.7
162.07559	3.5
166.16051	0.9
175.08774	40.4
176.09164	2.0
189.06714	100.0
190.07043	4.7
201.10390	0.9
203.08275	38.6
204.08578	1.7
229.09821	1.4
295.06210	2.9
295.13181	1.2
305.11499	1.6
323.05746	6.9
323.12491	23.0
323.16287	1.2
324.06039	1.3
324.12732	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
58.00573	3.3
59.01381	100.0
70.96619	2.4
71.01383	50.9
71.49843	1.1
72.99297	4.9
73.02950	2.2
75.13822	1.4
78.95904	3.8
83.01382	2.9
85.02959	8.8
87.00884	1.6
89.02449	66.1
95.01373	4.9
96.96014	15.9
96.96977	3.9
101.02450	35.1
113.02448	20.4
114.01981	6.5
119.03505	27.3
131.03499	2.1
136.93869	1.1
143.03461	2.3
159.25453	1.0
161.04504	2.8
177.51471	1.2
179.05672	2.3
323.09433	3.1
323.13461	83.7
324.13766	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03436	1.6
58.00582	3.8
59.01384	100.0
60.01719	1.1
68.83562	1.1
69.99071	2.3
69.99467	2.1
71.01387	54.2
72.99316	4.9
77.16466	1.2
78.95911	50.8
83.01389	3.0
85.02957	9.3
87.00884	3.1
89.02449	59.3
95.01382	4.0
96.95996	2.0
96.96969	21.9
99.00882	1.2
101.02449	36.8
102.02824	1.2
111.02029	5.4
113.01730	1.9
113.02466	23.5
119.03510	29.9
121.74891	1.1
126.98880	3.3
131.03531	2.5
131.08257	1.5
138.97987	2.5
143.03502	4.2
143.07219	1.0
149.04570	1.7
150.97987	2.7
161.04620	2.7
169.94467	1.0
179.05629	2.8
180.99022	1.1
191.15190	1.0
211.00121	3.6
267.65057	1.1
280.02390	1.6
322.96487	1.5
323.02988	15.2
323.13470	98.3
324.03345	1.4
324.10495	4.4
324.13657	5.4
346.24838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.38566	0.7
60.58518	0.7
81.78646	0.7
86.74432	0.7
101.98759	0.8
104.93130	0.8
123.04515	0.9
130.63037	0.8
134.75542	0.7
137.06075	1.1
165.09229	1.7
165.12839	2.2
189.12901	0.8
220.43172	0.9
235.13216	0.8
261.22211	4.3
305.21237	100.0
306.21613	9.4
323.22284	19.7
324.22549	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	325.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26284	0.5
55.82673	0.5
57.03438	0.9
58.29680	0.5
59.01372	1.9
71.30500	0.9
84.64307	0.5
99.04527	73.9
101.02459	1.3
108.23529	0.5
119.04975	0.8
137.36313	0.7
143.03511	100.0
144.03845	3.5
163.03969	0.9
173.01317	1.7
180.99066	2.0
181.07169	2.3
198.99280	2.4
208.99503	0.6
223.08110	0.6
249.22226	0.6
264.98453	1.0
298.26492	0.6
325.11124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
55.15797	0.3
57.21593	0.3
59.01385	5.5
63.76151	0.2
69.04069	1.0
69.04490	1.7
71.01399	2.7
77.79258	0.3
85.02963	0.8
89.02455	2.0
91.40211	0.2
98.22469	0.5
101.02444	1.2
113.02460	0.7
117.03482	21.1
119.03527	0.9
119.05044	4.1
131.05067	0.3
133.06628	0.6
134.82675	0.2
145.02972	100.0
146.03314	3.4
159.04596	0.5
161.06102	1.1
163.04030	8.3
164.04292	0.3
187.04031	3.2
187.77199	0.3
205.05017	1.7
235.06160	0.6
254.84464	0.3
265.07187	1.9
325.09323	4.8
326.09680	0.4
330.09302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.6
69.04398	0.3
69.05047	2.4
71.01394	2.6
72.41431	0.3
74.32047	0.3
85.02979	0.7
89.02448	2.4
95.01388	0.4
100.66800	0.3
101.02432	1.0
113.02445	1.0
117.03481	21.9
118.03809	0.9
119.03575	0.6
119.05037	4.7
133.06613	0.6
145.02969	100.0
146.03314	4.1
159.04581	0.5
161.06105	1.1
163.04031	8.4
164.04387	0.4
187.04001	3.6
205.05038	1.5
230.68570	0.3
235.06075	0.3
244.06985	0.3
265.07239	1.3
325.09222	4.2
326.09692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01373	1.2
61.38545	0.3
64.99379	0.3
69.60916	1.7
71.01399	0.5
93.03434	0.4
96.00960	0.4
101.02512	0.6
107.93692	0.3
114.05567	0.4
117.03473	2.6
119.05040	100.0
120.05370	3.6
145.01874	0.7
145.02971	10.1
163.04027	72.6
164.04352	3.1
187.03976	1.7
223.07730	0.4
321.31006	0.4
325.09390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.76320	1.0
59.01382	2.1
61.43341	1.0
69.34863	8.4
87.00882	100.0
88.01216	1.2
97.06598	1.4
99.04538	1.3
109.06634	1.3
125.02464	10.6
130.99883	3.2
171.10255	1.4
173.13348	7.5
191.14383	2.4
197.11760	2.3
200.32446	1.2
200.74376	1.1
201.12842	13.2
209.11787	1.5
219.13829	5.8
221.11824	8.1
245.09319	1.8
245.11842	29.8
246.12212	1.9
263.12976	2.2
307.19141	1.9
325.13034	11.2
325.16626	2.2
325.20071	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	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98834	4.7
69.91059	3.5
71.01389	7.5
72.00943	1.1
73.02946	1.2
73.38792	0.9
83.01362	1.2
85.02985	4.3
85.03484	0.7
89.02439	5.1
95.01379	1.2
98.21844	1.2
99.00871	1.8
101.02449	7.0
109.02962	3.9
113.02457	3.6
117.03466	1.7
119.03608	1.7
119.05037	45.4
120.05375	2.6
125.02445	1.0
126.33521	0.8
134.04733	16.7
136.01738	0.7
137.02455	48.4
145.02972	5.3
147.04561	2.5
156.78104	0.8
159.02966	1.0
160.61539	0.8
160.76682	0.8
161.04575	4.2
161.99164	0.8
162.01991	1.2
163.02779	2.0
163.04008	31.5
164.03531	46.2
164.07158	5.4
265.12894	8.0
325.03317	1.6
326.05289	1.3
326.08783	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	325.2026
Annotation	Plakortenone
Peak:m/z	Relative Intensity
54.84386	4.2
59.01363	5.7
60.10960	4.0
60.37660	4.0
61.39727	3.7
61.98825	11.2
63.96234	8.9
70.82085	7.1
85.23139	3.7
121.02973	10.0
147.89938	3.8
160.84227	14.0
167.14413	9.8
184.01256	3.6
207.17551	6.9
211.09334	3.6
246.90282	5.0
249.18610	34.1
275.16525	36.2
281.21219	11.8
293.17642	100.0
294.17917	6.2
325.20316	84.7
325.23956	9.4
325.86053	9.5
326.20615	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	325.2022
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.03688	1.9
51.32285	1.5
57.03452	2.0
59.01390	1.6
61.55864	1.5
61.74894	1.6
69.07972	3.8
69.08373	11.8
71.01376	5.2
71.05032	2.0
72.02194	1.9
80.02720	2.7
83.05028	5.3
84.02158	9.0
87.00891	1.9
95.05021	4.5
97.06590	4.8
99.08163	3.0
103.71069	1.5
109.06580	2.2
113.06062	2.4
115.07669	3.9
123.08198	2.0
125.06062	1.8
125.09724	5.5
127.07639	12.9
130.08716	2.0
135.08200	3.3
139.07625	2.2
149.09885	1.5
155.10780	3.9
163.11285	6.0
165.12920	2.3
171.10260	9.0
178.09914	3.7
185.11845	16.6
191.10805	2.4
197.11844	17.5
201.11501	2.2
209.11848	100.0
210.12181	3.7
211.13420	4.6
219.13927	2.6
227.12923	3.6
238.12119	7.4
245.19279	1.9
251.16470	2.0
256.13205	3.1
279.19778	1.6
289.17993	9.1
307.19168	74.4
308.19519	8.6
325.16528	2.4
325.20239	31.1
326.20599	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
56.99178	1.8
60.61758	1.9
65.48360	2.1
69.39838	15.0
74.87554	2.1
79.95705	2.3
94.28264	1.8
99.57877	1.9
111.54033	1.9
116.26707	2.4
127.85936	2.0
145.02957	5.2
149.09732	89.6
150.10068	4.1
163.11298	90.5
164.11584	5.1
165.43593	2.0
183.01201	38.3
184.01941	6.6
197.93854	1.7
216.01056	6.9
265.25378	7.9
281.28476	4.7
307.26404	6.0
325.18372	83.3
325.21793	100.0
325.27524	51.4
325.31161	3.5
326.18729	8.5
326.22171	12.7
326.27606	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	325.275
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
52.35476	0.8
56.38460	0.9
56.98810	1.0
57.03435	2.4
59.01368	2.6
60.99321	1.2
61.24626	1.1
70.54934	2.8
70.63379	1.0
71.10418	1.1
81.03452	2.2
83.62502	1.1
89.64403	1.0
95.51080	0.9
149.09682	5.1
183.01202	7.9
239.23813	2.6
247.51514	1.0
261.22397	1.0
263.23810	2.0
265.25375	23.0
266.25729	2.7
281.28549	14.4
282.28635	1.3
307.26447	15.1
308.26956	1.6
325.18649	14.6
325.27490	100.0
326.18802	1.4
326.27774	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	1.5
68.48047	1.1
69.03478	1.8
71.01804	2.4
71.74973	1.3
72.65015	1.0
80.02683	1.3
81.03471	2.0
81.49275	1.1
87.24797	1.2
95.03535	1.2
97.25324	1.1
100.74763	1.2
109.37386	1.1
120.80990	1.1
145.03023	1.4
147.29010	1.1
149.09741	4.3
152.30235	1.1
183.01251	5.9
196.13632	1.1
211.33458	1.1
233.80949	1.1
263.23846	1.9
265.25372	19.9
266.25650	2.0
281.28558	9.5
299.28879	1.2
307.26434	15.5
325.18701	12.8
325.27502	100.0
326.18930	1.5
326.27850	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	326.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64199	0.7
54.86383	0.7
59.01374	1.2
62.61404	0.7
69.15155	1.0
69.15560	6.5
84.44751	0.7
96.95393	1.8
96.96024	35.4
104.91465	0.8
122.56005	0.9
129.23184	0.7
136.94016	3.1
140.02058	3.4
152.16234	0.7
163.04521	0.8
182.94490	0.8
184.01036	100.0
185.01152	7.3
244.92886	0.8
247.87161	2.3
254.96632	1.2
255.86024	3.5
291.33405	0.8
326.01956	1.3
326.86923	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	326.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42846	0.4
51.41958	0.5
59.01379	3.2
71.01379	1.0
71.41922	0.7
72.09617	0.5
72.99307	0.6
74.02468	0.5
78.95923	1.0
81.03474	0.5
88.04070	0.7
89.02463	0.5
97.02959	0.6
99.98918	0.8
101.02428	0.7
105.84121	0.5
114.05650	1.1
117.00465	1.1
119.05021	1.8
120.05371	2.3
125.02443	1.6
130.08752	0.5
134.04753	3.5
136.01561	0.5
137.02469	5.4
140.02068	2.6
141.04077	0.5
141.99959	1.8
148.04053	0.5
156.99942	1.1
157.03546	1.3
163.04013	0.7
164.03381	3.0
171.02650	1.9
178.01323	0.6
183.01530	1.6
184.01033	100.0
185.01208	7.8
185.02966	1.1
186.02623	0.7
188.04109	1.0
208.99442	1.0
213.07240	0.8
227.00464	1.0
230.08855	0.5
266.00659	0.9
266.09973	2.1
283.11459	2.7
284.01685	1.1
284.11063	2.6
326.02658	1.4
326.08545	0.9
326.12085	0.8
326.15512	0.5
327.10492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0882
Annotation	3,4-dihydroxymandelonitrile beta-D-glucoside
Peak:m/z	Relative Intensity
50.89857	0.5
52.28444	0.4
53.99262	0.4
59.01375	1.3
69.34821	3.4
71.01367	0.4
109.02952	6.6
114.05610	1.2
117.83714	0.4
119.05038	1.0
120.05367	1.1
134.04729	1.7
136.01701	1.5
137.02454	100.0
138.02795	3.6
144.23361	0.5
163.02763	5.1
163.03998	0.8
164.03549	88.7
165.03880	3.8
165.05463	0.8
326.08823	29.0
327.09177	1.9
327.16849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12446	5.4
60.49508	5.9
71.32696	10.8
81.03474	100.0
96.96003	7.8
109.02875	5.4
113.06094	74.3
119.05027	10.4
124.07730	8.9
125.02438	28.0
135.04561	33.5
135.08076	9.7
157.05069	7.8
179.07086	10.4
179.10716	34.2
190.05093	12.4
192.08803	6.3
193.66739	5.8
237.11314	24.8
326.20444	6.2
327.21707	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.9528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56764	0.4
53.58419	0.4
59.01381	6.6
70.36731	1.5
71.01389	0.8
72.99306	1.1
73.02934	0.9
78.95911	1.4
87.00881	100.0
88.01220	1.0
88.04061	0.6
91.00809	0.5
99.00885	0.6
102.94405	9.8
104.03516	1.0
105.01952	0.5
111.00896	1.9
114.57474	0.5
117.01944	1.2
118.05114	1.5
124.96466	0.8
132.03018	0.7
142.96606	5.5
142.97546	11.3
145.41328	0.5
157.01013	0.5
158.99890	0.5
160.97708	2.3
166.97520	10.8
168.95459	4.7
173.01006	0.7
180.93140	0.8
184.98608	1.8
186.96579	1.9
191.02014	0.7
194.03493	0.8
202.98717	1.4
210.96616	0.6
222.94278	4.8
228.97563	56.1
229.97948	1.2
240.94313	4.0
266.93115	3.2
326.95050	1.7
327.09329	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	327.0875
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
71.13763	1.2
87.76220	0.7
93.03462	25.3
94.03796	0.8
96.99313	5.0
109.02893	0.6
117.03432	1.9
119.05038	27.4
120.05360	0.7
120.79488	0.7
121.02959	1.1
123.04562	1.5
130.04251	2.0
131.05052	5.5
132.05811	0.8
133.02960	3.0
143.05043	16.7
144.05373	0.9
145.02946	3.4
145.06590	1.9
159.04527	0.8
160.85764	0.5
163.04016	14.0
171.04498	2.2
195.04526	0.7
195.08214	0.9
209.06111	0.8
211.07683	5.3
219.08171	0.7
221.09737	1.8
222.06810	1.3
223.07610	1.2
224.08478	0.9
235.07671	3.0
237.09195	11.1
238.09567	1.0
239.10680	2.0
242.28235	0.6
245.49382	0.7
265.08710	17.9
266.08951	1.7
283.06915	1.2
283.09760	13.5
284.10077	0.7
288.26944	0.6
305.49020	0.6
309.07721	5.0
327.08743	100.0
328.09088	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	327.0878
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
56.01120	0.6
58.96649	0.7
59.61023	0.6
65.68290	0.6
68.99849	0.7
69.14617	2.6
69.15033	3.5
93.03468	23.2
96.99317	4.6
100.74394	0.7
108.02128	0.9
109.02946	2.2
117.03506	1.2
119.05042	43.0
120.05374	1.5
121.02988	1.3
123.04530	2.5
130.04254	1.7
131.05032	3.5
132.05835	1.4
133.02971	2.6
143.05048	15.9
145.02946	3.3
145.06615	1.7
159.04550	0.8
163.04034	29.2
164.04474	1.4
171.04541	1.7
176.04860	0.8
176.06384	0.6
195.08147	0.8
209.06075	0.8
211.07671	4.5
217.05086	1.1
219.08055	0.8
221.09634	0.8
222.06854	1.7
223.07640	1.3
235.07672	4.3
237.09215	10.6
238.09718	1.1
239.10716	2.9
265.08725	16.9
266.08972	1.4
283.09784	20.8
284.10114	1.9
309.07837	3.5
327.08765	100.0
328.09122	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	327.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59156	3.9
61.98837	5.1
62.16037	3.8
70.86935	4.4
71.30054	10.5
72.99314	4.0
86.50773	4.3
115.07690	12.0
119.94699	4.9
126.90295	5.0
155.14555	6.1
160.38692	4.2
162.83936	18.0
168.91472	17.8
176.42520	5.4
183.14026	7.4
183.30928	3.9
199.13261	4.8
211.13416	4.8
229.14444	100.0
230.14790	6.4
254.28232	4.7
309.20700	16.6
327.21848	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	327.2179
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03431	5.4
57.03693	1.4
58.00576	1.8
59.01385	22.6
61.98832	1.6
69.03468	2.2
71.01379	1.7
71.08150	2.8
73.02950	1.8
81.03403	1.7
83.05024	2.8
87.00874	3.7
88.69552	1.6
89.29730	1.6
111.08138	2.3
119.08666	3.6
123.66093	1.4
125.09739	2.3
127.11263	1.9
137.09735	10.0
142.08374	1.7
155.10742	3.1
169.12384	2.8
171.10300	35.8
172.10449	1.5
183.13954	2.3
185.11792	3.2
197.11913	12.5
200.26682	1.6
201.11330	12.0
211.13376	1.6
211.78394	1.5
221.11874	1.5
229.14453	3.1
239.16493	3.5
247.13420	2.0
263.20294	2.1
291.19763	5.6
309.20734	7.8
327.21765	100.0
328.22159	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.03817	0.6
54.93417	0.5
57.03439	2.7
59.01382	1.2
65.70706	0.5
69.03449	0.8
69.17480	1.4
69.17882	5.0
71.01371	1.6
81.03443	0.8
83.05029	1.5
84.05359	0.6
85.02948	5.4
85.77354	0.6
88.60819	0.5
93.84750	0.6
95.05017	1.7
97.06581	6.3
98.21791	1.4
123.08173	0.8
125.09702	1.7
127.11293	2.3
137.09724	0.7
155.10777	0.7
155.14407	1.3
165.12837	1.7
167.14389	1.1
171.10280	9.6
177.12845	1.8
183.13922	4.2
185.11797	2.4
193.12271	1.9
197.11879	0.8
203.10756	0.7
209.11792	2.2
211.13393	24.4
212.13693	2.1
221.11798	5.3
229.14430	18.9
230.14879	0.9
239.12993	3.9
265.18063	1.2
283.19208	1.4
291.19629	4.2
309.20734	1.7
313.00992	0.7
327.21756	100.0
328.22067	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	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03442	1.8
58.00006	0.5
58.00597	0.6
59.01397	0.9
63.44783	0.6
69.03440	0.9
70.26773	2.2
71.01382	1.1
75.25864	0.5
81.03438	0.7
83.05042	1.4
84.02184	0.6
85.02949	5.3
86.69858	0.5
92.88828	0.5
95.05037	1.7
97.02942	0.8
97.06593	7.1
110.03716	1.0
116.15132	0.5
125.09753	1.7
127.11327	2.7
130.37874	0.5
137.09753	1.1
150.23267	0.5
155.10786	0.5
155.14424	1.1
163.11270	0.6
165.12827	0.9
167.14438	1.5
171.10298	9.6
172.10693	0.7
177.12860	1.8
183.13861	6.3
185.11800	2.0
193.12415	1.8
203.10864	0.7
209.11858	2.8
211.13399	33.6
212.13768	1.9
221.11906	4.9
229.14452	18.0
230.14781	0.6
239.12856	2.0
247.20865	0.7
291.19754	4.3
309.20715	1.9
327.21780	100.0
328.22180	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25853	1.0
57.03444	1.4
58.00584	1.9
58.94271	1.1
59.01386	5.9
71.10445	1.9
71.10785	1.2
72.27583	1.1
72.99319	1.2
73.02940	1.7
73.98350	1.0
76.06393	1.1
83.05058	1.3
97.06582	1.2
109.09772	1.0
111.08157	5.2
125.09709	1.3
127.07668	2.7
129.09225	7.4
141.09218	3.4
142.99757	1.2
155.10777	1.2
157.08711	2.4
163.11324	1.4
165.12947	1.1
167.14256	1.1
169.12292	2.0
171.10222	1.8
181.12410	1.6
183.13933	1.3
185.11852	13.7
186.84001	1.2
197.11838	35.6
198.12230	1.5
199.13422	4.2
201.11273	1.6
209.11888	15.0
211.13423	3.3
225.14992	2.6
247.20673	1.4
251.16611	1.6
251.50276	1.2
291.19540	3.3
309.20706	7.2
313.51978	1.1
327.21759	100.0
328.22113	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	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.84031	1.5
56.45570	1.5
58.00572	2.4
59.01384	4.0
61.98825	1.7
69.03447	1.6
71.09151	2.4
86.42281	1.5
100.00691	1.6
111.08183	8.6
118.71315	1.6
121.02977	2.1
122.00893	1.9
122.29689	1.7
126.90362	3.1
162.83896	5.8
168.91435	3.8
169.12338	3.7
171.10263	2.5
197.11842	47.3
198.12152	3.0
199.13390	10.2
211.13408	7.5
283.65283	1.7
291.19702	3.2
309.20758	5.3
327.21765	100.0
328.22107	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	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.89959	1.4
63.56785	1.3
67.65779	1.4
69.22219	1.4
70.48603	1.4
70.84131	4.3
77.06489	1.3
84.19407	1.7
115.82921	1.4
115.90485	1.6
147.16226	1.5
162.83864	1.8
177.67444	1.6
203.06589	1.6
265.25391	65.4
266.25742	4.3
309.24393	25.5
310.24622	2.7
327.19006	4.1
327.25418	100.0
328.25784	9.8
335.15649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2909
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
71.35364	1.2
99.91597	0.7
109.20180	0.8
117.79011	0.7
160.94881	0.7
185.00810	1.6
253.25262	0.9
277.25400	0.8
279.26935	3.5
281.28540	55.7
282.28802	5.9
321.98386	0.8
327.18494	4.8
327.29065	100.0
328.29398	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	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
52.87429	3.9
58.30540	3.7
59.01384	100.0
70.20964	8.6
85.38213	4.1
163.97905	4.4
188.06013	3.7
203.51338	4.9
327.29034	48.8
328.29489	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	328.0457
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
59.01389	1.0
70.75779	0.2
70.76125	0.4
71.01403	0.4
78.95911	0.4
87.05653	0.2
88.04059	0.7
89.85905	0.2
92.02572	0.6
102.53063	0.2
103.57148	0.2
103.80534	0.2
107.03649	4.2
114.05579	0.3
123.04556	0.4
130.08755	1.7
134.04749	100.0
135.05182	2.4
159.01535	1.1
182.42091	0.2
184.01057	0.6
185.01353	0.2
186.00803	0.3
187.00981	1.6
188.07893	0.4
193.26901	0.2
289.99936	0.2
301.16376	0.2
328.04480	2.0
328.15457	0.5
329.15747	0.8
329.22055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58997	7.4
59.01382	73.6
70.75432	19.1
71.01379	61.0
72.00922	34.1
72.99315	65.3
73.02952	60.5
74.02449	10.0
78.95905	24.1
87.00882	95.9
88.01238	16.4
88.04054	20.3
89.02456	59.5
92.78572	7.2
99.00900	8.5
99.04511	13.7
100.50575	6.8
101.02428	13.5
102.75766	7.9
102.94418	11.1
108.02174	56.0
113.02457	9.1
114.05605	12.1
116.07150	12.0
117.01958	99.0
119.03620	7.5
122.03759	14.8
123.04544	14.7
129.00429	10.0
131.08278	88.9
132.03050	20.3
142.96593	15.5
143.03563	14.9
145.09883	10.5
148.04398	100.0
150.01717	13.0
150.05173	8.6
152.01151	30.7
159.01520	9.0
167.03448	54.3
168.01518	76.0
169.01566	11.8
172.01024	59.7
173.10413	65.8
174.00731	13.2
181.05928	10.1
183.99303	23.5
184.00993	17.5
187.00972	15.3
188.97142	9.1
193.01076	9.6
196.05798	70.6
208.99391	8.6
209.99603	13.4
210.02632	8.9
225.03621	16.1
228.00829	7.8
228.97556	17.7
229.97887	27.2
229.99881	9.1
230.97691	22.7
242.94206	9.6
244.07896	11.1
248.14471	7.9
250.06761	11.5
251.06410	22.9
252.04848	30.6
264.04776	20.7
268.08893	11.7
269.07397	56.9
269.09875	12.9
276.04794	9.6
282.05899	28.6
286.08960	14.9
311.02112	25.0
311.08469	15.7
328.05124	49.6
328.11096	89.2
329.09799	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	328.2243
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
59.01378	0.7
66.03492	1.3
69.44213	2.4
69.44634	2.0
71.01381	0.8
83.05046	0.9
84.08155	0.8
84.52350	0.5
93.03436	0.9
94.03808	1.0
98.06123	0.8
109.02974	2.1
114.05549	0.8
115.08780	11.9
116.07181	29.4
119.05064	2.0
120.05392	0.9
129.10350	2.5
130.08749	98.9
131.09085	2.8
133.02956	0.8
143.05031	1.1
144.05383	1.5
148.04930	0.7
155.08313	0.7
167.03465	1.3
167.11934	4.2
168.13977	0.7
169.13463	6.3
171.15051	8.5
172.15413	0.7
174.11301	1.5
181.13481	1.4
183.15091	1.4
185.16602	21.4
186.16972	0.7
187.67711	0.8
197.12962	11.2
211.14546	2.5
229.15433	0.6
241.07944	0.8
241.17896	0.8
242.18863	3.1
264.73459	0.6
266.09149	1.6
273.16922	1.2
284.23450	18.5
285.23813	1.5
328.09195	6.6
328.22409	100.0
329.19186	1.0
329.22714	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	328.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02118	0.8
59.01380	2.6
66.03477	0.9
69.90977	1.4
69.91372	1.9
71.02510	1.5
85.02965	0.9
86.69263	0.8
88.04060	2.9
93.03461	4.0
94.03790	1.4
97.32040	0.7
98.22610	0.8
99.04635	0.8
107.05042	1.0
108.05373	1.0
109.02992	3.4
114.05629	1.0
115.08778	0.9
116.07193	100.0
117.07542	2.6
119.05055	8.9
120.05380	6.1
129.10358	8.2
130.08759	1.7
135.04602	1.1
143.05026	1.5
143.11967	1.3
144.05397	2.3
146.03476	0.9
147.04564	1.2
148.04892	1.0
155.08344	1.0
163.04056	3.5
164.04393	3.1
171.15050	28.0
171.16528	1.4
181.13525	3.9
183.10231	0.8
183.15062	4.3
185.16641	2.2
211.14532	10.8
212.07922	0.9
215.14020	1.4
235.55956	0.8
238.09604	2.6
240.11156	0.8
266.09161	3.5
284.10291	5.0
284.23471	15.7
285.11044	1.2
310.08127	1.3
328.09171	21.0
328.13922	6.4
328.22385	83.1
329.09543	0.9
329.22614	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	328.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60369	0.7
66.03493	1.1
69.77089	0.6
70.02991	2.6
70.36383	0.7
71.32207	0.7
71.32705	1.6
76.44784	0.7
80.05054	0.9
82.06633	1.6
85.04077	0.7
87.05652	100.0
88.05984	1.1
88.89025	0.8
94.06651	2.0
97.04095	1.4
125.25259	0.7
129.10362	1.0
131.54440	0.7
140.07202	13.0
153.10324	1.3
155.11929	2.3
164.14442	2.4
167.11948	1.6
169.13519	1.9
181.09885	1.0
197.16611	1.8
208.13434	13.3
209.13745	0.9
225.16182	0.9
252.20848	27.9
253.21185	1.8
268.20209	1.1
284.19489	0.9
296.19794	8.0
305.32376	0.8
328.09134	1.0
328.18622	1.4
328.22101	8.3
328.25864	1.0
329.19650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29275	0.7
59.01382	40.8
61.98817	2.1
69.24171	3.1
69.24593	2.7
80.08805	0.6
83.41955	0.7
88.29680	0.6
96.96042	1.0
115.02522	2.0
117.00452	1.4
141.05769	0.7
143.02002	5.3
151.21631	0.7
157.03503	1.2
159.01506	61.9
160.01651	3.2
184.01001	1.5
185.01173	4.1
186.00729	6.2
186.98318	3.0
187.00993	100.0
188.01082	8.2
201.02571	13.8
202.02812	0.8
273.79053	0.7
299.47742	0.8
302.69681	0.8
302.73071	0.7
303.69205	0.7
329.02051	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	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64820	1.0
52.46589	1.0
55.03001	1.7
59.01384	48.0
59.31414	0.8
61.98835	1.3
70.53190	2.7
71.01378	3.7
72.99316	25.1
73.02953	5.3
76.18488	1.1
78.95913	8.8
83.06145	1.1
87.00914	1.2
87.05648	1.3
88.04040	1.9
91.77012	0.9
95.73212	1.0
96.96040	1.3
99.00861	1.6
108.02187	3.3
108.05740	1.0
108.12672	1.0
115.02519	2.5
115.08783	1.5
117.00486	5.3
117.01939	7.9
122.03748	4.3
122.06141	2.1
123.04584	1.6
127.05202	1.3
127.08807	1.1
128.03558	1.2
130.08720	2.0
131.08260	12.7
134.04745	2.9
143.02028	3.1
144.99986	1.2
145.09830	1.3
150.05595	5.7
152.01175	2.4
152.83774	1.0
154.90501	1.2
154.91611	3.0
159.01515	67.2
160.01646	4.9
167.03526	4.7
168.01578	1.1
170.97870	4.0
172.01060	4.1
172.97717	13.9
172.99176	1.7
173.03217	1.1
184.99484	1.5
185.01151	3.7
186.00764	2.1
187.01001	100.0
188.01173	6.9
196.05798	17.9
197.06018	2.0
199.00963	1.0
201.00865	1.6
201.02577	12.0
202.02623	1.3
210.02563	1.4
210.07434	1.3
212.03529	5.1
227.05162	1.3
238.06886	3.2
245.06378	1.2
251.06413	3.4
252.04692	13.1
252.08510	6.3
269.07437	27.8
269.10947	8.0
270.07568	2.1
274.99481	1.8
275.03998	1.1
285.19434	1.2
287.05652	3.8
312.05157	5.7
312.10910	1.5
329.02267	2.1
329.08270	5.0
329.18387	3.1
330.09485	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	329.0882
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01374	2.1
71.01379	1.1
71.31676	0.8
81.03479	3.9
83.01405	2.5
95.05040	1.4
96.03750	0.7
96.96037	1.8
97.02976	0.7
99.04543	0.9
102.65488	0.7
121.02953	1.3
123.04546	36.3
124.04816	0.8
125.02460	5.9
137.02425	1.0
139.04019	1.0
149.02409	1.7
151.00356	0.7
151.03981	1.1
155.95619	0.8
163.04036	1.5
167.03516	100.0
168.03841	3.3
171.10287	1.7
175.00417	1.5
179.03546	1.2
181.05081	2.7
191.03520	22.6
192.03847	1.1
201.34070	0.7
209.04559	9.4
210.04884	1.0
221.04573	2.4
233.04521	0.8
236.03743	0.7
269.06671	0.8
329.08887	3.7
330.22897	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	329.0883
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.43535	0.5
57.79285	0.6
59.01382	1.4
70.81880	0.9
70.82198	0.7
71.01385	1.0
80.02664	0.7
85.02959	0.6
88.04052	1.3
99.81239	0.6
106.83712	0.5
108.02192	66.1
109.02503	1.9
123.03646	1.2
123.04552	24.6
124.04896	1.4
146.87738	0.6
147.31720	0.7
152.01176	41.3
153.01530	1.5
156.53209	0.6
167.03517	100.0
168.03848	4.2
215.19865	0.6
226.98857	0.6
238.05327	0.6
248.37549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
58.02985	0.6
59.01385	26.5
61.98832	1.0
63.88729	0.5
71.01389	17.7
71.30856	0.6
72.99316	2.2
73.02945	2.4
74.02489	3.5
81.03476	0.9
82.03021	0.7
83.01408	1.4
84.04559	1.8
85.02959	3.4
87.00889	2.5
87.05648	7.1
88.04051	15.2
89.02449	3.0
93.03473	2.3
95.01406	0.9
95.05019	0.6
97.02953	0.8
97.04079	1.0
98.02505	0.9
98.22449	0.5
99.00897	1.0
99.04527	1.2
100.00418	0.5
101.02457	6.7
101.07250	1.1
102.05635	0.5
108.02182	1.5
109.02968	4.2
109.04092	0.9
112.07719	0.7
113.02465	5.3
115.02461	0.8
115.08777	2.5
117.00437	4.6
118.00600	0.7
119.03492	1.2
119.04976	0.5
119.47093	0.5
121.00000	0.6
121.02972	4.1
121.06606	1.4
122.03755	100.0
122.06124	6.0
123.04559	41.0
123.05244	0.3
124.04889	1.2
125.00944	0.7
125.02460	1.0
126.09338	0.6
127.05136	6.5
128.03552	2.6
129.10365	2.8
130.08751	10.2
134.04735	2.7
135.04375	1.1
135.05260	0.7
136.07671	2.1
137.02448	1.8
137.06100	1.3
138.05609	0.8
139.04025	3.1
143.02029	1.0
143.11917	2.9
143.24794	0.4
144.11407	0.6
145.06215	6.5
145.09845	2.0
146.04582	0.5
147.04556	1.7
149.02452	8.2
150.00238	0.9
150.05615	12.8
152.07193	1.6
153.10405	1.3
155.08331	0.9
155.11949	1.5
157.03616	1.0
157.13470	1.9
159.01521	23.7
159.02908	1.5
160.01657	1.5
161.04585	8.6
165.05595	6.3
167.03497	8.6
170.97867	3.2
171.01540	5.0
172.01077	1.0
174.02582	4.7
174.05608	0.8
174.99284	2.3
176.07245	0.6
177.05560	2.7
181.05078	1.2
183.11375	3.7
185.01215	1.8
186.00774	2.8
187.01006	36.9
187.10880	3.7
188.00963	2.8
188.97185	1.8
191.03525	1.4
194.08191	0.7
196.14641	3.0
198.12556	0.8
200.14079	1.2
201.02579	4.3
201.12419	2.1
205.03645	0.8
209.04549	4.7
214.15602	1.4
214.19298	1.1
217.00357	2.1
229.00293	2.9
230.98253	1.1
239.05675	0.8
240.17204	0.7
243.11954	1.1
253.20457	1.4
267.18304	2.9
269.07269	1.1
269.09952	16.5
270.10190	2.0
274.99301	1.6
283.11456	0.6
285.09787	1.2
285.19330	2.3
285.22644	0.8
311.17395	1.0
312.10925	6.9
312.16016	0.6
328.96741	0.9
328.99945	2.4
329.08566	4.2
329.18365	17.3
329.21973	8.2
330.12009	3.5
330.16806	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	329.1035
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.72120	0.2
57.05624	0.2
59.01380	0.7
62.66500	0.3
64.93065	0.2
69.06125	0.7
69.06527	1.9
73.02946	1.1
73.04076	0.3
74.02450	0.5
81.03461	0.6
89.02457	0.3
91.01897	0.3
93.03446	0.3
99.04491	0.4
102.37534	0.3
103.05121	0.4
108.02181	5.8
108.13167	0.3
109.02961	100.0
110.03297	3.0
115.05560	0.4
116.05024	0.3
119.05036	0.9
121.02951	0.9
122.03675	0.3
123.00911	0.3
123.04503	0.7
124.01681	0.3
129.06693	0.4
129.17798	0.3
130.08755	0.4
131.04993	0.5
133.02966	2.5
135.04526	0.8
135.97267	0.3
143.05035	1.2
145.02921	0.9
146.03766	3.9
147.04556	4.1
148.05287	1.2
158.03720	0.9
159.04539	6.4
160.05276	0.6
161.06090	12.5
162.06445	0.4
163.04050	0.6
174.03207	1.0
175.04033	3.7
185.06105	0.7
186.03120	0.3
187.04016	32.6
188.04614	3.2
189.05589	2.0
192.04303	0.4
199.07745	0.4
203.08327	0.4
204.04178	0.4
205.04997	0.4
206.05850	0.3
207.06642	3.3
209.06075	0.6
213.05627	1.0
219.06636	32.4
220.07040	2.1
225.05511	0.5
226.06195	0.4
227.07066	0.8
237.05566	2.2
238.06345	1.1
241.05049	1.5
242.05859	11.0
243.06425	0.9
251.07089	0.4
253.05112	1.1
254.05812	1.5
255.06606	4.8
256.07205	0.8
267.06641	0.4
269.08151	0.8
279.06693	0.5
285.12231	0.3
297.07666	3.2
329.10330	43.3
329.23154	1.1
330.10693	4.3
330.22955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41746	20.4
59.01381	100.0
71.01382	85.2
71.32804	22.1
73.70276	19.6
74.02473	48.2
75.00905	17.7
84.75092	18.7
88.04039	30.0
89.02435	65.0
101.02489	27.0
106.56885	18.3
109.02953	75.5
113.02462	23.4
114.09222	18.7
130.08682	25.1
135.04477	23.9
137.02487	45.3
149.02435	60.8
167.07092	28.4
167.85753	18.3
203.08347	47.2
232.82303	18.1
255.06593	36.6
282.25705	19.9
285.11768	30.8
329.10318	37.3
329.23032	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.74524	0.7
61.18036	0.7
61.59983	0.7
74.25539	0.7
80.38494	0.8
105.55697	0.7
110.57385	0.8
117.67972	0.7
243.06638	1.0
257.08279	1.1
258.09045	1.7
271.09860	2.2
285.11295	1.2
286.12033	1.1
297.14975	2.2
299.12921	3.0
301.18204	0.7
311.16312	0.8
313.14459	7.0
314.15253	100.0
315.15604	8.9
329.17599	95.2
330.17996	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	329.1761
Annotation	Cynajapogenin A
Peak:m/z	Relative Intensity
57.03435	0.6
59.01367	1.2
64.32644	0.6
68.52995	0.5
70.53601	1.2
75.39550	0.6
85.29224	0.5
85.77812	0.5
87.00883	4.0
96.23397	0.6
104.83052	0.6
110.22265	0.5
113.09733	0.7
127.11311	1.1
133.29997	0.5
152.91849	0.6
170.91174	0.7
171.10333	1.2
195.17429	0.7
201.11314	1.4
211.13371	0.7
216.07721	0.6
217.08601	3.0
229.08688	2.1
230.09482	2.1
231.10185	1.6
243.10268	6.8
244.10898	1.2
249.15002	1.6
271.09943	0.6
285.11395	0.7
297.14868	1.4
299.12939	3.6
311.22214	0.8
313.14520	1.9
314.15225	2.2
329.17612	100.0
329.23312	15.8
330.17963	10.1
330.23761	1.0
352.64688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1763
Annotation	Steenkrotin A
Peak:m/z	Relative Intensity
59.01368	2.9
61.98848	8.5
81.56453	1.7
84.26484	1.8
170.88403	3.8
170.91107	4.0
186.85609	2.6
215.07236	1.9
230.09496	3.5
254.85390	2.0
271.13422	2.5
301.18103	2.9
329.17621	100.0
330.17877	11.4
330.28333	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	329.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98564	8.9
69.28016	71.4
70.41252	7.7
82.04741	7.2
98.22573	15.0
136.56671	7.7
148.88141	7.2
157.50813	7.2
225.22223	60.8
230.72195	7.9
271.22845	100.0
272.23383	8.8
309.68414	8.5
329.18573	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.34577	2.1
58.00598	2.9
59.01384	3.9
64.43247	2.2
69.63291	12.7
74.37006	2.0
86.31181	2.1
87.00896	5.5
98.21817	3.1
99.08170	8.4
127.07659	2.6
129.09236	7.3
156.41531	2.3
168.54874	2.1
169.12334	4.1
176.11400	2.0
193.60074	2.3
199.13490	16.9
211.13466	9.8
229.14499	4.0
250.30347	2.4
284.22433	2.5
311.22174	3.9
329.17404	4.1
329.23383	100.0
330.23700	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	329.2335
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03440	1.4
69.03454	0.6
69.64907	1.5
71.05019	0.6
83.05012	0.6
85.03001	0.5
98.22501	0.4
99.08162	6.6
118.14693	0.4
123.08234	0.3
125.09733	1.4
127.11307	3.2
129.09203	0.7
139.10355	0.3
139.11255	2.1
155.14430	1.1
155.38686	0.3
165.12894	0.8
167.10835	0.5
167.14436	1.6
171.10277	7.6
180.01598	0.4
183.13908	6.9
193.12370	2.6
199.13460	0.7
203.00226	0.4
209.11858	1.4
211.13411	34.8
212.13684	2.3
229.14449	19.5
230.14748	1.0
242.11713	0.3
244.44788	0.4
263.46893	0.3
292.69373	0.4
293.21152	0.8
311.22202	1.0
329.23352	100.0
330.23666	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	329.2335
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	0.3
69.03454	0.9
69.09682	3.3
71.05021	0.4
72.13556	0.3
83.05013	0.9
84.02190	0.4
85.02936	0.7
97.06587	1.0
98.22548	0.6
99.08160	6.2
113.20511	0.4
125.09743	1.8
127.11320	2.7
127.82413	0.3
129.09200	0.5
155.10750	0.8
155.14410	0.5
165.12865	0.9
167.10719	0.6
167.14413	1.9
171.10284	3.2
183.13907	7.5
184.14340	0.4
193.12302	1.9
199.13454	0.5
209.11845	1.4
211.13403	37.7
212.13748	2.3
229.14455	20.8
230.14854	1.2
293.21164	1.0
302.74838	0.4
311.22272	0.9
329.23346	100.0
330.23715	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	329.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95510	0.7
58.00587	2.4
59.01385	4.4
62.19531	0.7
69.08394	7.0
80.01070	0.7
82.06890	1.0
97.06593	0.8
98.22543	1.7
99.08160	8.7
100.38203	0.9
107.11877	0.7
109.58894	0.8
113.09719	0.8
118.55796	0.7
127.07655	1.7
129.09221	9.0
155.10884	0.8
164.07147	0.9
169.12343	7.2
181.12367	7.9
183.13889	2.4
193.12328	2.3
197.11781	1.5
199.13412	22.5
200.13860	1.4
211.13422	10.0
214.74304	0.8
227.12886	1.2
229.14587	1.1
293.21271	2.3
300.13712	1.5
303.17151	3.2
311.22250	2.5
329.17801	6.8
329.23343	100.0
330.17896	1.7
330.23715	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	329.2336
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
59.01360	5.0
61.15012	3.2
61.98832	6.1
70.75512	3.6
70.75852	6.3
74.13103	2.8
99.08150	8.3
108.11952	3.2
125.09714	4.4
126.60104	3.1
129.09213	6.2
138.06364	3.2
138.98790	3.4
158.40811	2.9
171.10240	8.3
181.12318	6.0
199.13411	12.7
201.11311	5.2
211.13362	8.6
218.95523	3.1
257.12170	2.8
300.62277	3.2
329.17749	17.3
329.23364	100.0
330.17841	5.0
330.23743	10.8
342.13556	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	330.1198
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.25589	0.9
57.97558	2.5
59.01382	11.6
64.37797	1.0
69.74906	2.1
69.75309	2.9
70.03006	1.4
71.01385	9.7
72.99318	1.7
73.02959	1.2
73.04034	1.0
74.02470	3.6
75.00862	1.4
78.95919	1.5
83.01388	1.3
85.02921	2.1
86.00080	3.0
87.00890	16.2
87.05642	2.2
88.04081	4.7
89.02458	5.0
95.01376	1.2
96.00939	2.6
99.00869	6.1
101.02462	2.9
107.03748	2.5
108.04568	2.0
109.02911	1.2
110.04111	0.9
111.00898	1.5
113.02448	3.7
114.01973	2.6
115.00378	2.5
115.08807	1.3
119.03487	1.1
121.05371	2.0
122.03764	1.5
122.06132	47.8
123.04561	8.3
123.06489	1.6
124.04092	1.0
125.02450	3.0
127.05121	1.1
128.03532	2.1
129.10367	3.4
130.07777	1.6
130.08743	23.7
131.09073	3.7
134.04738	2.6
134.06125	3.8
136.04045	3.6
136.07680	16.1
138.05591	1.8
145.09885	1.6
146.06160	1.3
148.07715	1.9
149.04901	1.2
150.05617	100.0
151.04022	26.2
151.05881	4.6
152.07173	7.2
159.03033	3.1
161.04706	1.5
162.05603	3.4
164.04793	1.1
164.07155	3.5
168.06697	5.4
169.01453	4.1
169.05080	8.6
174.01747	1.6
174.05644	1.5
175.06413	2.5
176.07198	7.0
180.10382	0.9
186.12457	3.2
187.00928	1.0
188.07835	1.2
192.06781	1.5
194.08255	3.2
204.06670	3.4
214.15594	3.1
215.14014	1.2
216.13589	1.7
222.07666	3.1
244.08603	1.2
252.08751	2.3
286.17737	3.3
287.13562	1.3
300.14911	2.2
301.15253	2.5
302.16461	5.0
312.07242	2.0
312.10907	41.3
313.11343	2.2
313.15146	0.8
330.11890	29.4
330.15811	24.2
330.22189	3.6
331.06821	4.0
331.15884	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	330.2037
Annotation	Val Thr Leu
Peak:m/z	Relative Intensity
53.63951	0.9
54.79731	0.9
59.01381	1.0
65.34595	0.8
71.02452	1.2
71.31992	1.2
73.04076	14.7
74.02466	1.6
79.49931	0.8
82.06625	1.5
83.02512	1.0
83.05018	0.9
87.65904	0.9
89.80072	0.9
99.00880	1.4
106.11211	0.9
116.07191	50.7
117.07500	1.9
121.49764	0.9
125.07198	2.7
126.05610	3.4
127.08789	2.8
129.10350	16.4
130.08754	100.0
131.09062	1.6
139.08752	3.8
140.07169	1.6
141.10345	3.0
143.11887	2.8
153.06711	1.0
155.08282	8.8
159.03036	1.1
163.03952	1.0
167.03685	0.9
168.13876	2.1
169.09831	12.2
172.93567	0.8
185.16614	57.4
186.16965	2.6
195.15086	1.2
199.09236	1.0
199.10788	4.6
200.14026	1.0
213.12491	1.7
229.15553	6.0
242.18767	29.2
242.91356	1.0
243.19032	2.1
280.70245	1.0
286.17749	75.8
287.17966	4.9
312.19479	1.5
330.20337	83.7
331.20612	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	330.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.7
69.08216	6.3
69.08627	2.2
71.01382	5.2
72.00914	1.9
73.02966	1.0
73.04063	5.2
74.02477	1.4
74.86216	0.8
79.43282	0.7
82.97704	0.8
83.05035	1.9
85.02961	1.3
87.05650	0.8
89.02461	5.5
96.00938	4.9
98.21825	2.0
99.00893	3.7
101.02452	2.6
109.02988	1.1
110.90633	0.8
113.02465	2.7
113.03651	1.5
114.05667	1.1
115.05150	0.8
115.08793	5.3
116.07186	7.7
118.03626	0.8
119.03495	1.5
121.03006	1.2
121.75288	1.0
122.99091	1.1
123.04567	1.1
125.07228	8.6
126.05573	0.9
127.08842	4.8
128.03552	1.5
129.10359	7.9
130.08752	92.6
131.09073	1.7
135.04558	0.9
139.08824	0.9
141.10335	1.0
143.11916	34.7
144.12299	1.0
152.03563	2.5
155.08273	22.7
159.03026	1.6
165.05641	1.4
166.01433	1.0
167.03381	1.5
168.03024	7.4
169.09856	2.3
182.62114	1.0
185.16592	7.9
191.96635	0.8
197.05779	0.9
201.11716	0.9
207.08217	1.6
209.04655	1.6
225.09196	3.7
242.18764	23.9
243.19139	2.3
244.07396	1.3
286.11157	4.2
286.17731	100.0
287.18103	5.7
295.13092	1.6
312.15720	1.3
330.08258	5.2
330.20306	12.9
330.23059	10.5
331.10297	0.9
333.21631	1.0
339.37790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54064	1.7
59.01355	2.9
61.98825	1.5
65.28693	1.7
67.36248	1.6
70.06536	6.7
71.32098	1.9
72.31844	1.7
73.04070	13.6
76.05630	1.8
82.06601	4.2
83.02506	2.0
89.88819	1.4
129.10327	2.1
130.08757	100.0
140.07100	6.6
141.10277	3.4
169.09837	8.5
181.09695	2.6
182.15369	4.7
185.11723	3.4
195.65811	1.9
196.69051	2.2
199.10954	11.8
199.18176	43.9
243.16983	3.1
256.20313	15.1
300.19330	15.2
312.19067	2.1
330.20044	69.8
331.20370	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99380	0.5
63.53027	0.5
69.51331	4.0
73.04073	6.6
74.02462	0.9
74.86549	0.6
82.06614	0.7
83.02518	0.8
98.22523	0.7
99.00899	1.2
103.05137	1.1
108.79288	0.6
109.02970	1.0
112.07693	0.9
114.09288	0.9
121.36112	0.6
125.10874	0.9
129.10367	1.7
130.08746	100.0
131.09088	2.4
139.08789	4.9
140.07185	7.5
141.10300	3.3
143.11897	6.6
167.03534	1.0
168.03830	0.6
168.11427	1.5
169.09819	9.1
181.09818	1.9
182.08232	0.6
182.15482	0.7
186.12502	1.3
199.10915	8.3
199.18167	34.5
200.18494	1.9
231.12134	0.7
243.17110	2.2
256.20297	16.9
257.20621	1.9
299.19849	0.6
300.19299	21.5
301.19678	1.4
312.19183	2.9
321.31039	0.7
330.20316	69.7
331.20624	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	330.229
Annotation	3-hydroxydecanoylcarnitine
Peak:m/z	Relative Intensity
59.01385	90.9
64.11233	2.6
70.52171	4.9
70.52545	5.1
72.00558	2.1
78.69898	2.6
83.01427	2.3
99.04523	4.9
102.55285	2.6
124.26132	2.5
164.83795	2.5
175.68260	2.6
209.15520	3.1
236.11256	2.7
270.20715	4.0
312.21991	3.7
324.39639	2.3
329.94409	4.4
330.22879	100.0
331.23145	9.6
336.14908	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	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.77129	1.2
59.01356	1.5
61.98820	1.3
65.61836	1.2
69.71471	6.5
73.04064	2.1
74.02470	2.8
76.29511	1.3
80.86152	1.2
81.67500	1.3
83.01347	1.2
87.05641	1.5
96.00920	2.4
97.02992	1.5
98.21802	1.6
123.00846	1.7
124.01680	2.2
125.02454	70.2
128.03490	1.5
130.08742	2.9
131.08255	5.1
145.09811	1.4
149.99541	5.0
153.01947	7.6
168.00655	13.6
168.04259	3.2
169.01436	100.0
170.01750	2.9
193.97055	1.3
200.14035	2.1
202.12016	1.8
254.04594	7.1
259.90411	1.3
271.07169	5.6
271.92783	1.4
275.44110	1.3
290.92084	1.5
301.15051	2.6
331.06674	22.4
331.17535	6.9
332.18176	1.5
351.34256	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	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.43223	0.8
56.12980	0.9
57.97562	13.3
59.01385	2.1
64.00723	0.9
69.03471	2.8
70.49608	2.4
71.01390	7.9
74.02490	2.4
75.97954	0.8
81.03449	1.2
85.02957	1.5
87.00883	0.9
88.04066	1.5
93.03469	1.4
95.01367	0.9
97.02979	3.5
99.00893	100.0
100.01240	2.8
101.02487	1.1
107.01419	1.2
109.02996	2.4
110.02544	1.1
115.00395	1.7
117.23773	1.0
121.03033	1.3
123.04555	2.1
125.02467	45.4
126.05585	1.8
128.03554	3.3
130.08754	2.5
135.03024	0.9
135.04616	1.1
137.02470	2.4
141.01973	3.4
142.55168	1.0
143.04634	2.8
144.34358	0.9
151.04039	4.8
155.03506	1.3
157.01479	2.6
159.03006	50.0
160.03299	1.4
169.01447	73.8
170.01784	1.0
173.23361	0.9
180.46928	0.9
239.02095	1.2
271.04617	3.6
272.09003	1.8
299.04126	1.3
331.06644	9.5
331.16714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.97548	0.8
59.01379	2.1
63.59414	0.5
65.03960	0.6
68.99824	0.6
69.03459	1.2
70.60655	1.3
70.60989	0.9
71.01390	4.2
72.00903	0.7
72.99291	1.0
73.02940	0.8
73.04059	1.7
74.02483	5.3
75.00846	0.6
78.35556	0.6
80.43274	0.7
81.03465	1.9
83.01377	1.6
83.05056	0.7
84.00909	7.1
85.02951	3.1
87.00893	0.8
88.04044	2.7
89.04411	0.9
93.03468	1.8
95.01356	0.7
96.00912	0.8
97.02961	4.1
98.06132	0.6
99.00896	12.6
101.02471	1.4
107.01373	0.9
107.05017	1.0
108.02139	1.1
109.01706	1.1
109.02946	3.0
110.00102	7.0
111.00900	1.2
113.02428	2.2
114.01981	1.3
115.00394	3.0
117.01950	0.6
120.42419	0.6
121.02979	0.9
123.00890	1.5
123.04583	3.5
124.01648	0.9
125.02450	7.7
126.05596	1.2
126.42547	0.6
127.05135	1.4
128.03540	1.6
129.10301	0.9
130.08730	2.4
130.10670	1.1
131.09085	0.6
135.00862	0.8
135.02951	1.1
135.04590	0.9
137.02425	1.8
137.99599	8.6
139.00369	2.6
139.04036	1.7
140.08348	0.9
141.01956	6.7
143.11908	1.8
145.09853	0.7
151.00446	0.8
151.04008	10.1
152.01187	2.8
153.01950	100.0
154.02640	4.3
155.03528	7.1
156.03700	0.7
157.01471	0.7
159.03014	5.1
163.04106	0.7
166.02802	1.2
167.03506	11.2
168.04292	51.5
169.01408	3.2
169.05029	8.3
169.06267	1.7
174.01671	1.8
175.02449	0.9
179.03552	0.7
180.10306	0.9
181.05011	0.9
181.10774	0.9
183.03035	1.1
191.03488	1.6
193.04956	1.0
194.02315	0.6
195.02951	1.1
200.13969	0.7
209.04567	1.9
210.07645	1.4
211.07278	2.6
213.04164	0.7
227.05634	1.5
243.19086	0.8
267.09921	0.9
271.04605	11.4
287.18039	2.5
297.11154	0.7
301.15472	0.9
313.05954	1.0
313.16043	1.5
331.06653	2.0
331.10522	2.9
331.17465	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	331.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64161	6.1
54.07614	6.1
59.01376	29.8
71.32568	5.9
71.32958	8.6
99.00888	42.6
111.00918	18.2
117.03423	8.3
145.02974	22.1
145.06612	35.2
173.06075	100.0
193.05064	6.7
215.14432	11.2
219.83447	7.0
224.95354	9.3
243.13910	62.6
287.12915	39.6
331.12167	13.8
331.16687	7.7
331.24908	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09319	2.3
60.71262	2.5
61.98844	5.4
62.84283	2.3
69.03464	10.7
70.63736	3.7
70.64080	3.5
97.02959	50.4
103.06345	2.4
103.26669	2.4
125.06108	2.8
169.63809	2.2
178.02539	6.1
191.03343	4.8
210.01434	4.2
219.06377	4.3
233.11594	3.2
236.34128	2.6
261.11099	53.7
262.11847	100.0
263.12262	4.3
294.10916	16.3
331.18875	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	PGB3
Peak:m/z	Relative Intensity
53.74917	0.7
71.32641	0.6
71.33126	0.8
83.05016	1.3
104.83843	0.6
110.10769	0.7
111.75154	0.7
119.08666	0.9
122.53404	0.7
135.08159	1.4
137.02431	3.0
137.05978	0.9
147.13559	0.8
151.04073	0.7
151.07625	0.8
152.04776	1.4
163.07597	0.9
165.05588	0.8
167.07124	1.0
179.07150	4.1
188.17398	0.7
191.14426	2.8
203.14397	0.8
204.90942	0.7
207.06625	1.5
219.14020	1.1
245.11742	0.9
247.13341	1.6
259.09598	0.7
259.20712	1.2
260.14139	0.8
269.19180	1.6
271.16977	0.8
273.11310	3.0
285.18680	0.9
287.16931	1.1
287.20190	3.3
288.13779	1.6
303.19672	9.9
304.20129	1.4
313.18076	2.1
331.19165	100.0
332.19620	10.8
338.11844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
66.49301	0.2
69.93548	0.5
69.93933	0.4
82.60544	0.2
85.58644	0.2
100.56973	0.2
179.61018	0.2
242.09615	0.3
243.10153	0.4
255.14073	0.3
259.16998	0.6
269.15393	0.3
270.16245	7.6
271.16714	0.6
273.14883	0.2
283.13437	1.7
285.18616	4.1
286.18951	0.5
287.20172	2.1
298.15756	38.1
299.16110	3.5
312.17432	0.4
313.18103	5.4
314.18478	0.6
331.19150	100.0
332.19528	9.8
332.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Eriocasin B
Peak:m/z	Relative Intensity
53.96329	0.9
67.01895	5.1
67.02698	1.1
69.72482	4.0
73.26472	0.8
83.05020	2.7
124.39739	0.9
124.76911	1.1
136.01660	2.0
164.04803	3.9
170.75694	1.1
179.07133	16.9
180.07515	1.2
191.14462	5.5
207.06667	2.4
275.20172	9.5
285.18677	1.3
287.16724	1.3
298.15924	1.5
303.19672	100.0
304.20007	11.3
307.88055	1.0
331.19202	61.5
331.22763	5.4
332.19537	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	331.1919
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
70.56946	4.3
70.57279	2.7
125.57370	2.1
189.78044	2.3
227.67545	2.2
259.09760	7.5
315.15945	4.1
331.19171	100.0
332.19510	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	331.2282
Annotation	Secochiliotrin methyl ester
Peak:m/z	Relative Intensity
69.06466	3.1
87.04585	0.3
119.68174	0.3
121.73018	0.3
126.39815	0.3
152.76067	0.3
168.09888	0.3
215.10883	1.0
228.11568	1.2
269.15396	0.4
283.17142	0.4
284.17761	1.5
299.20166	100.0
300.20529	13.1
301.21744	1.2
328.85672	0.3
331.19058	3.3
331.22708	15.6
332.19583	0.4
332.23132	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	331.9962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73283	0.9
59.01383	39.7
60.01730	1.7
61.98834	100.0
69.68032	1.8
69.68422	2.1
113.66011	0.7
117.00471	0.7
145.01761	1.1
145.96703	0.8
157.03607	0.8
159.01486	6.0
160.01636	14.3
161.01199	16.0
161.98952	4.5
162.01608	3.8
187.00981	6.0
188.01004	22.6
188.98405	1.5
189.00700	25.0
189.27368	0.7
189.96851	1.4
189.98532	40.3
190.00340	10.3
190.01308	4.7
190.98418	2.7
201.02548	12.0
202.02850	3.1
203.02438	2.7
203.99971	7.2
204.02913	1.3
289.95853	1.6
332.02301	1.4
341.45151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01898	4.2
58.02979	100.0
66.67020	1.4
68.54652	1.2
69.07146	14.1
72.00930	1.4
82.06627	2.5
90.98603	2.3
91.03014	1.3
91.05544	2.9
96.32939	1.1
96.96012	1.2
102.03489	2.6
107.56055	1.1
109.16995	1.3
111.01991	1.5
112.07688	2.8
114.01970	3.1
116.05068	94.4
117.05431	2.6
118.06640	16.0
123.06903	1.9
123.09293	25.6
126.09258	4.8
128.05051	3.8
129.10353	32.2
132.08180	1.9
137.10840	3.7
139.08774	17.2
140.10817	3.8
141.10399	2.0
141.12923	1.2
146.06146	5.7
147.04536	3.0
153.10306	2.6
154.08720	4.3
163.03516	1.3
167.08263	1.7
171.11398	45.6
172.07683	4.3
172.11836	2.0
174.05605	22.2
183.11340	2.3
185.09358	1.9
198.12811	7.1
210.10081	12.9
210.19182	1.3
211.42253	1.3
215.15558	18.6
216.13918	2.5
227.10533	1.4
230.15390	1.3
231.15048	7.1
242.11871	88.7
243.12202	7.0
257.16599	41.6
258.17035	3.1
259.14532	24.0
291.17081	11.7
296.14597	1.3
301.15591	55.5
302.15866	4.6
306.82224	1.4
333.18213	17.5
337.30038	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.205
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31423	1.1
61.98837	1.6
68.86181	1.1
69.03472	2.0
69.78914	6.4
74.53518	1.1
79.25954	1.3
80.82787	1.1
84.02164	2.5
97.02943	4.4
98.19872	1.3
98.21855	1.7
99.08196	3.0
110.34893	1.3
127.07662	26.6
129.09215	2.4
153.49811	1.2
165.12891	2.8
181.12341	5.4
183.12282	1.2
183.13907	4.9
203.10513	4.0
217.08412	1.4
219.10002	1.7
223.13185	15.2
233.07869	2.9
233.11620	15.7
235.09576	5.4
237.11046	7.7
261.11084	1.3
262.11847	15.8
265.10623	4.8
267.12155	21.5
268.12445	1.5
271.57904	1.3
290.24875	1.3
303.19501	4.0
305.21024	2.3
315.19324	5.8
333.20496	100.0
334.20837	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	334.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19864	1.1
58.02979	11.9
59.01367	3.3
69.69167	7.4
70.02973	7.7
71.01402	1.9
72.00905	7.2
73.04071	50.2
74.02477	6.7
74.04381	1.5
82.02991	7.7
84.35130	1.4
85.04062	2.7
87.05640	3.6
91.05525	6.5
96.00914	3.5
97.04079	12.8
98.02507	1.8
109.04064	7.6
111.08175	3.1
115.05141	56.7
116.07165	3.4
126.06708	2.1
127.05143	69.8
129.10313	3.9
130.08696	1.4
135.04532	1.5
141.06706	9.4
144.07784	13.9
147.04533	30.6
151.08737	1.9
162.09221	3.1
164.07175	100.0
165.07463	4.6
168.07800	7.6
169.06192	21.8
173.08234	3.9
177.10338	9.2
186.08839	22.1
186.12486	3.9
189.10324	3.5
213.10329	1.4
213.62216	2.9
219.11345	3.1
230.13013	1.9
231.11418	5.1
241.02103	1.4
248.14001	4.4
257.09259	2.1
272.13968	1.5
275.10223	3.8
290.15158	6.5
292.13101	2.0
317.11288	1.8
334.14093	92.0
334.17676	8.8
335.14484	7.2
335.18033	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	334.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83994	1.1
56.83019	1.1
59.01374	3.9
68.82206	1.1
70.02972	3.2
71.01366	2.2
71.02489	2.9
73.04069	6.5
74.02477	6.0
87.05647	54.8
89.02457	2.0
91.05536	1.4
93.53445	1.1
97.04070	10.1
101.02462	1.1
111.08179	2.2
114.05627	1.0
115.05157	7.4
116.07188	100.0
117.07491	2.1
126.06831	1.0
127.05190	7.2
129.10344	1.3
129.94444	1.2
131.05037	3.1
135.04469	1.4
144.07797	1.8
146.06168	1.2
147.04510	4.3
155.07121	1.2
163.08792	2.4
164.07178	13.7
169.06256	1.4
173.08205	1.1
186.08762	2.6
186.12471	2.0
202.12395	28.8
203.12683	2.0
209.12152	1.2
217.09805	20.8
246.11395	2.5
273.12628	1.1
290.18616	1.3
334.14145	8.9
334.17743	68.9
335.14026	1.9
335.17899	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	334.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47747	0.7
61.61385	0.8
69.01711	3.2
69.02137	6.1
71.01407	0.8
72.00922	4.3
73.04075	29.5
74.02489	1.3
78.82335	0.8
82.06627	1.8
83.02509	6.6
91.05563	5.1
112.07709	1.2
118.06639	3.1
129.10358	18.8
130.08743	22.8
131.05019	1.7
139.08798	4.4
141.10352	5.3
143.11911	1.1
147.03369	1.3
147.04543	24.4
148.04823	1.1
151.08855	0.8
164.07179	56.9
165.07544	2.4
168.11443	6.4
169.09842	15.6
170.16968	0.8
186.12498	52.6
187.12801	1.6
203.08290	5.5
216.13922	5.8
233.16595	11.6
234.16795	1.5
277.15570	2.3
290.18784	9.3
334.17749	100.0
335.18045	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	334.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43990	0.6
61.03580	0.6
71.33022	0.9
72.00908	7.2
73.04074	17.9
76.59159	0.7
83.02510	2.7
89.35611	0.8
91.05544	7.4
92.84355	0.7
111.02003	0.8
111.04383	2.7
118.06627	2.9
119.05084	0.8
121.54219	0.7
128.04688	0.8
129.09438	1.3
129.10352	19.6
130.08778	5.4
130.10672	1.4
139.08807	5.9
141.10385	6.2
143.11900	2.5
147.04538	27.3
148.04872	1.2
164.07184	72.7
165.07500	3.3
168.11438	9.6
169.09837	17.3
186.12497	57.9
187.12827	2.5
198.12486	1.4
233.16618	13.8
234.17047	1.2
240.97939	0.8
246.11322	3.1
277.15613	1.7
290.18777	11.8
291.19229	1.4
334.17737	100.0
335.18066	8.1
357.19394	0.8
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
62.22229	0.8
66.03500	1.0
69.15440	7.6
73.04075	64.5
74.02480	1.7
78.84861	0.9
82.06628	2.2
83.02518	13.3
84.08191	1.2
91.05569	1.5
91.62530	0.9
129.10405	1.0
129.15793	0.8
130.08749	100.0
131.05038	7.7
131.09055	3.3
132.05424	0.9
137.22279	0.9
141.10292	1.2
146.06194	1.8
147.04495	2.5
164.07179	6.1
169.09865	1.2
172.72670	0.9
186.05600	0.9
186.12488	4.2
203.08281	24.1
204.08635	1.1
216.13954	30.2
217.14243	2.5
219.68306	1.0
233.16583	1.2
258.55618	1.0
260.12936	1.9
277.15579	1.8
286.99759	0.9
288.51514	1.0
311.90366	0.9
334.17755	82.3
335.18130	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	334.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22888	1.0
59.01380	7.0
71.01379	3.6
71.32977	1.0
72.00900	2.5
73.04074	67.8
74.02462	1.9
78.83149	0.9
80.05063	0.9
80.96476	0.9
83.02512	12.1
89.02441	2.0
101.02458	2.2
109.02972	1.0
119.03459	1.3
125.02359	1.3
128.13515	1.1
130.08749	100.0
131.05008	5.5
131.09071	2.5
135.04585	1.6
141.10371	1.6
147.04544	7.8
150.58450	1.0
155.10800	2.3
164.07184	19.1
169.09843	1.6
186.12483	7.8
203.08273	21.4
216.13943	37.6
217.14336	2.0
228.10187	1.3
229.11751	1.4
246.11389	6.3
260.12955	2.1
277.15665	1.9
290.10403	2.6
290.18594	1.0
334.17761	83.7
335.17538	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	335.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80846	1.8
57.14166	1.6
59.01395	2.1
61.98838	2.3
62.66868	1.7
66.91059	1.8
69.68855	11.9
70.73852	1.8
74.88232	1.9
85.84328	2.1
87.04524	100.0
98.22361	3.1
111.08214	2.9
113.06145	2.4
125.09748	7.9
128.21432	2.3
191.14452	8.4
193.16049	4.5
220.14671	2.5
231.10344	5.6
231.17549	29.0
245.19064	3.3
246.12662	13.5
247.13364	4.2
247.20699	83.0
248.21062	5.7
263.20193	5.9
264.13663	6.0
273.18570	28.7
274.18909	3.7
291.19785	14.8
335.18765	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	336.9398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98842	0.3
71.30373	0.3
79.95744	0.4
96.96004	2.1
119.93752	0.7
134.96103	21.2
135.96179	1.0
136.94023	84.7
137.94098	5.9
151.91603	0.2
151.92734	5.3
152.91776	31.3
167.90439	4.2
170.92818	0.6
177.49911	0.3
178.95074	100.0
179.95180	6.3
194.92834	52.0
195.93170	1.2
196.96100	0.9
210.90802	2.3
212.93869	4.8
216.89832	0.7
225.90410	2.5
226.40388	0.8
226.90363	1.2
238.87971	0.5
247.87160	21.1
248.37190	11.7
248.87054	9.8
249.37120	0.6
250.93997	1.6
252.91862	4.2
256.87689	25.3
257.87741	5.0
274.88754	83.3
275.88828	13.0
276.86646	1.2
276.89261	0.4
287.85025	28.7
288.35059	12.7
288.38385	0.3
288.84903	12.1
289.34979	0.7
292.95041	6.4
293.95416	0.5
294.85315	0.6
294.92917	20.2
295.93112	1.7
307.84113	0.6
316.84238	1.6
336.83389	13.9
336.93994	63.5
337.33728	0.3
337.83441	2.3
337.94156	6.3
354.66342	0.3
354.84436	20.9
355.84589	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	337.0781
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03435	1.2
58.70385	0.5
59.01373	2.3
60.88647	0.5
68.99818	2.7
69.03439	0.7
71.01397	3.4
71.16451	1.2
72.99295	1.6
73.02945	1.4
73.33447	0.6
75.00867	2.0
83.01394	2.0
85.02963	7.2
87.00909	3.6
95.01409	2.1
99.00890	5.1
101.02483	1.7
111.00880	2.3
113.02475	6.0
113.99607	19.3
114.00404	1.0
115.00414	7.8
127.00377	2.8
129.01945	2.2
133.01459	1.0
139.00388	0.9
157.01434	6.1
157.03572	1.8
169.01457	2.1
174.01727	21.3
175.02460	2.0
183.01526	2.8
262.93549	1.5
273.72467	0.7
277.05692	22.0
278.06042	1.5
294.96973	0.9
310.89026	0.8
337.07803	100.0
338.08121	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	337.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
58.02983	10.0
59.01391	2.3
66.22736	1.1
70.11102	1.4
70.11433	5.6
71.83221	1.2
72.00919	6.5
73.04099	1.3
82.02992	1.6
84.04581	1.4
91.05569	2.8
96.00928	37.6
96.96028	1.9
98.06136	9.1
99.05047	2.3
99.05662	29.8
115.05182	2.7
118.06640	4.7
123.05653	5.3
124.04118	1.4
140.81923	1.2
141.06725	31.1
144.04837	1.2
147.04546	33.0
147.05946	4.1
162.09265	2.2
164.07185	76.6
165.07533	4.0
171.05972	1.4
172.04449	11.1
186.09279	1.7
189.07059	33.9
189.08792	1.9
203.11877	9.0
245.12914	5.5
251.12323	6.5
261.16055	1.4
292.71225	1.4
293.13446	8.7
295.11316	3.8
314.06647	1.4
337.12341	100.0
337.16223	4.0
338.12610	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	337.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
59.01378	8.0
69.03467	3.9
70.89207	2.5
72.66829	1.8
73.58329	1.8
83.05032	44.1
85.02961	4.9
87.59923	2.0
96.96016	6.0
107.05080	2.4
109.06563	2.3
115.45389	2.1
119.32532	2.0
133.10255	6.3
135.08229	2.8
135.11806	15.9
137.09752	2.3
151.11301	89.2
152.11647	4.1
160.26703	1.9
160.51213	1.8
187.14932	8.9
189.12854	2.9
195.10266	3.8
201.28992	2.2
205.15985	50.9
206.16389	3.5
207.13940	2.4
231.13928	2.7
249.14993	18.6
255.23235	2.4
293.13965	14.2
293.16959	2.9
322.23538	2.1
337.12952	6.1
337.16678	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51743	1.6
57.03457	78.8
59.01377	7.1
66.93958	1.6
71.01374	2.2
71.32774	2.5
73.02947	3.5
78.08832	1.8
80.96529	1.9
83.05035	53.0
85.02953	8.8
96.96024	3.6
97.02974	4.0
97.06597	2.4
99.00889	2.2
109.06591	4.5
130.08670	1.9
133.10231	6.3
135.08163	4.3
135.11844	13.0
137.09709	9.9
151.11316	100.0
152.11589	5.9
163.11371	1.8
175.11281	2.2
177.09123	2.3
187.14946	7.8
189.12787	2.3
195.10283	6.9
205.15984	46.4
206.16302	4.1
217.15924	2.3
231.13918	5.8
238.50102	1.7
249.14969	32.0
275.12802	3.9
293.14044	15.3
293.17120	3.1
309.24387	2.0
330.49457	2.0
337.12912	10.5
337.16614	4.4
337.20160	1.9
344.64615	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
57.03435	1.9
57.97538	1.2
58.00590	4.3
59.01384	100.0
69.21712	7.7
71.01385	52.2
72.99323	5.1
73.02927	1.2
83.01377	4.0
85.02958	11.1
87.00872	4.0
89.02451	53.8
95.01402	4.8
99.00885	3.2
101.02455	32.7
102.02779	0.9
109.02950	2.3
111.22602	0.8
113.02460	19.2
113.09770	0.9
115.00381	4.9
115.32478	0.8
119.03516	25.7
131.03523	2.8
133.02936	2.8
135.04489	3.4
143.03526	2.2
147.04538	2.4
148.05307	1.0
149.04659	1.3
149.06081	19.5
150.06337	1.4
161.02443	5.5
161.04570	2.5
164.39780	0.8
175.02449	2.3
175.04021	2.8
177.01971	3.1
179.03455	1.2
179.05617	3.1
189.05614	1.4
191.00208	2.4
193.05078	3.3
205.99033	2.7
219.02998	3.3
233.01248	1.9
233.04558	2.2
234.99298	1.7
237.04066	8.7
248.97183	1.5
277.00336	8.8
277.03281	1.8
278.00552	1.5
293.06815	1.4
328.14743	0.9
337.15070	94.7
338.15472	6.0
342.91180	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.5
58.00597	1.9
59.01089	2.3
59.01380	43.6
67.01873	3.0
67.32632	1.1
68.99827	2.3
69.07219	10.2
69.07641	2.2
70.67331	1.1
71.01384	37.7
72.99305	9.4
73.02933	3.4
75.00872	25.8
83.01380	2.0
85.02953	65.9
87.00879	20.5
88.04044	4.2
89.02448	11.0
95.01398	16.9
97.55633	1.3
98.22533	2.2
99.00887	34.5
103.00360	9.6
111.00902	3.0
113.02455	96.0
114.02773	2.1
115.00368	7.1
117.01953	13.3
129.01938	10.0
134.06122	3.2
139.00305	2.1
147.04538	2.6
148.05312	100.0
149.05620	4.3
157.01398	2.0
163.07655	36.6
164.07095	1.4
175.02466	11.6
178.05148	1.5
182.14108	1.1
191.71397	1.1
223.14482	1.6
264.51443	1.1
312.19327	5.1
339.10843	7.4
339.18030	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
69.80017	1.5
69.80422	2.6
73.66953	0.6
92.09801	0.6
98.21805	0.9
112.13050	0.7
149.09755	1.6
170.00441	2.0
183.01216	36.6
184.01517	1.9
197.02731	4.5
201.24849	0.7
216.00938	1.1
216.14091	0.7
244.11847	1.0
295.26471	1.0
339.19986	100.0
340.20352	10.1
346.11194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.32358	0.5
54.33704	0.6
55.69504	0.6
55.88521	0.5
56.88199	0.9
62.27661	0.6
71.10414	1.3
117.80829	0.6
163.11308	100.0
164.11647	5.3
181.23683	0.6
190.23758	0.7
339.23318	87.5
340.23651	9.7
344.21063	0.7
360.49158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2245
Annotation	Ile Pro Ile
Peak:m/z	Relative Intensity
51.48598	0.7
52.82123	0.6
57.03463	0.7
58.02979	0.7
59.01392	5.9
66.03490	2.1
71.01398	3.9
73.58771	0.8
75.66393	0.7
82.06647	2.5
85.02986	1.1
88.04049	0.8
89.02464	2.6
93.03451	0.9
95.05009	0.9
96.00961	1.0
96.04562	0.9
96.95995	0.8
98.02481	1.3
98.06120	2.2
101.02473	1.8
107.05114	0.7
109.01727	1.5
109.02974	3.2
112.07677	0.9
113.07224	2.8
114.05646	3.6
114.09199	0.8
115.00390	1.5
129.10362	6.7
130.08760	62.4
131.09099	2.3
132.02214	1.7
133.01485	1.7
133.02975	24.9
134.03752	0.8
135.04553	10.8
137.02434	1.2
139.08707	0.9
140.07176	1.5
143.05072	1.8
147.04459	1.0
148.12961	0.7
149.02437	1.2
149.06094	1.1
150.02792	1.0
153.10402	1.1
154.12462	1.0
155.11934	13.7
161.02472	97.3
164.04906	1.3
166.08728	1.1
166.12379	2.5
170.60925	0.8
177.05643	1.8
178.26164	0.7
179.03545	15.4
181.09888	2.1
181.13509	5.1
183.15047	39.2
184.15417	2.0
190.02690	1.0
199.18214	2.0
203.03540	2.7
209.12978	5.1
210.07739	1.1
211.14514	1.2
221.04562	1.9
223.06070	0.9
224.06392	1.0
227.14063	15.6
228.14307	1.7
243.06715	1.1
251.05598	1.0
253.08754	1.7
255.06599	0.8
261.63260	0.9
261.79514	0.8
271.09686	1.0
281.06738	1.4
296.23505	4.4
297.07745	1.4
323.16119	1.6
340.22449	100.0
341.09039	6.5
341.22754	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	341.0669
Annotation	(+)-Megacerotonic acid
Peak:m/z	Relative Intensity
51.23038	0.9
58.02973	1.2
59.01377	7.3
69.93703	0.8
70.02984	0.9
71.01372	4.0
71.32688	1.0
71.33061	1.5
73.02954	1.3
75.11288	0.9
81.03497	1.1
85.02931	1.0
87.00872	3.1
87.05652	0.8
89.02441	2.6
95.04996	1.0
96.00848	1.0
96.96014	1.7
101.02445	1.6
107.05055	1.2
108.02197	2.0
109.02957	100.0
110.03300	2.8
112.93762	1.0
113.02463	1.4
114.05586	4.7
117.03482	2.2
117.47404	1.0
120.58261	1.0
125.02370	1.0
129.10406	0.9
130.08751	19.6
133.02969	18.0
134.03760	1.2
135.04535	40.6
136.04903	2.2
145.02965	36.7
146.03813	5.1
147.04503	1.4
149.06175	1.0
151.04018	3.5
152.07156	1.2
159.04523	5.8
161.02454	77.7
161.06070	27.6
162.02827	2.9
162.06435	1.1
175.04039	2.0
177.05527	1.3
179.03505	38.5
180.03842	1.8
185.16557	3.5
187.04004	10.2
197.06029	1.1
203.03493	3.0
205.05040	4.4
209.06084	1.8
211.03979	2.2
212.04723	1.2
225.05495	2.5
231.02982	2.5
237.05644	4.8
239.03535	8.6
240.04251	6.4
253.05055	11.7
253.07758	1.2
253.08638	1.1
254.05711	1.8
255.06639	14.4
256.07153	1.1
256.20313	5.2
264.04227	1.0
268.03876	1.5
279.06650	2.1
280.03842	1.0
281.04562	42.6
282.05005	3.7
297.07709	29.7
298.08014	3.9
299.05573	3.4
308.16040	1.0
323.05582	3.0
341.06445	29.0
341.15836	1.2
342.07013	2.3
342.20282	9.0
342.23898	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	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.06158	0.4
59.01390	6.4
69.43204	1.2
69.43628	2.2
71.01394	3.8
89.02457	2.6
98.21826	0.7
101.02479	1.3
109.02953	0.6
113.02457	1.4
119.03517	0.9
123.82681	0.4
132.02205	1.0
133.02974	23.6
134.03326	0.5
135.03508	0.9
135.04541	18.0
136.04840	0.6
148.05324	0.9
149.06100	2.1
161.02460	100.0
162.02824	4.5
169.55463	0.4
175.03987	4.0
177.05606	3.5
179.03510	23.2
180.03889	1.3
201.29199	0.5
203.03511	23.5
204.03830	1.5
220.85884	0.6
221.04561	4.2
222.05057	0.4
233.04532	0.6
235.36409	0.4
251.05663	0.9
263.65921	0.5
281.06833	1.4
341.08774	8.1
342.09192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95318	0.4
59.01389	5.2
62.99907	0.4
70.48040	0.3
70.53384	0.4
70.53714	0.8
71.01389	2.9
77.03035	0.4
78.11011	0.4
83.49699	0.3
83.79420	0.3
85.02956	0.8
89.02462	2.6
100.00212	0.4
101.02464	1.2
106.04482	0.4
113.02461	1.4
115.51382	0.4
119.03519	0.9
119.97420	0.4
132.02197	1.4
133.02974	24.0
134.03255	0.6
135.04539	11.5
149.06125	0.8
161.02464	100.0
162.02823	3.9
175.04047	0.5
177.05602	1.5
179.03514	16.3
180.03886	0.7
203.03526	2.9
221.04564	1.6
232.74002	0.4
251.05849	0.6
281.06708	1.3
341.08798	8.3
342.09525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01385	7.5
68.68741	0.4
69.69142	1.7
71.01399	3.4
71.86520	0.4
85.02950	0.7
87.53265	0.4
89.02442	2.3
93.92719	0.4
95.01449	0.4
101.02463	1.4
113.02482	0.8
119.03597	0.5
122.76205	0.4
126.15755	0.4
132.02164	1.7
133.02968	31.2
134.03279	1.0
135.04541	10.5
149.06067	0.9
152.69630	0.4
161.02457	100.0
162.02797	5.4
175.04073	0.5
177.05606	1.0
179.03516	15.1
180.03810	0.6
203.03502	2.7
221.04596	1.6
251.05676	0.6
281.06702	1.4
309.04468	0.4
341.08765	6.9
342.09073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69410	0.8
52.77954	0.8
59.01382	8.6
65.41818	0.7
66.77432	0.9
70.65610	1.3
70.65936	1.7
71.01381	5.3
89.02453	3.5
101.02448	2.3
113.02441	1.1
113.28775	0.9
113.49944	0.8
114.05609	2.0
132.02161	1.0
133.02959	26.3
134.03317	1.4
135.04543	10.6
137.21983	0.9
156.08011	0.8
161.02451	100.0
162.02818	6.2
174.73755	1.0
177.05608	1.0
179.03517	16.1
179.05260	0.9
179.05753	0.9
203.03484	1.1
260.18500	1.0
281.06708	1.4
341.02234	0.8
341.08716	7.3
341.18280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64814	1.2
59.01382	3.8
71.01376	2.0
89.02454	2.6
94.46547	1.3
107.05015	1.3
114.05599	7.0
116.40691	1.1
130.08762	1.3
133.02971	7.5
134.03711	3.6
135.04536	96.2
136.04855	3.5
145.02950	2.2
146.03752	61.4
147.04266	2.9
161.02448	27.6
161.06082	17.3
163.04027	2.5
164.04788	38.5
164.06168	1.9
169.08325	1.2
179.03522	100.0
179.07133	90.3
179.08759	2.7
180.03850	5.0
180.07495	5.1
226.11949	1.8
227.14008	3.2
263.08713	1.3
288.69827	1.6
290.78162	1.8
341.08640	13.7
341.18289	4.2
342.09387	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	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01374	1.7
61.98826	0.7
67.78288	0.7
70.95205	1.0
70.95534	1.3
71.01383	1.5
72.61014	0.8
89.02458	1.4
89.80873	0.7
107.05003	1.2
118.12864	0.7
134.03731	4.0
135.04541	100.0
136.04846	2.7
161.02490	1.8
179.03514	90.8
180.03857	4.2
300.13577	0.9
322.37866	0.7
341.08716	8.9
342.09213	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	341.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.8
67.34575	4.6
70.66132	3.2
71.01376	6.3
71.30952	6.9
78.95915	4.1
89.02444	9.0
99.35699	3.6
114.05596	8.2
133.02960	27.1
135.04536	39.2
161.02460	100.0
162.02769	6.1
179.03493	36.9
204.95026	4.0
262.18463	4.2
341.08850	11.6
341.18396	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
71.01403	1.7
71.30724	2.7
74.02462	1.6
74.13662	2.0
74.81851	1.6
89.02467	3.6
113.02502	1.8
114.05622	14.0
127.67451	2.2
131.63499	1.9
133.02974	4.4
134.03758	3.4
135.04539	100.0
136.04863	6.1
146.03740	15.9
161.02464	12.0
161.06079	4.4
164.04799	11.0
173.87581	2.0
179.03508	89.7
179.07104	21.3
180.03891	4.7
226.12137	2.2
227.14127	1.9
268.53021	2.7
307.14444	1.9
338.91226	1.8
341.08792	9.6
341.18228	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	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01860	1.1
58.00594	4.2
59.01381	100.0
60.01698	1.1
70.22812	4.3
71.01387	67.9
72.45918	0.9
72.99312	4.5
73.02943	2.4
83.01388	1.7
85.02962	9.2
87.00859	4.4
89.02449	81.6
95.01407	4.3
101.01803	2.3
101.02448	30.7
113.02454	27.7
119.03503	30.1
131.03522	3.2
135.04539	1.6
143.03514	6.6
149.04497	1.8
161.04544	8.5
162.04948	1.5
179.03754	1.7
179.05624	28.6
180.05974	1.2
186.52286	1.2
284.13034	1.2
341.10919	28.2
342.11292	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	341.1092
Annotation	Trehalose
Peak:m/z	Relative Intensity
57.03447	2.0
58.00610	4.2
59.01389	100.0
60.01396	0.8
60.01711	1.0
69.34253	6.2
71.01392	75.4
72.01698	1.8
72.99319	5.9
73.02949	1.8
75.00893	2.1
83.01403	2.9
83.32498	0.7
85.02960	10.9
87.00888	5.2
89.02456	90.3
95.01412	4.0
97.02972	0.9
101.02454	33.7
113.02463	32.5
113.03263	1.2
119.03525	34.6
125.02472	1.4
130.06494	0.9
131.03516	5.0
131.04436	1.1
133.01422	1.2
143.03508	8.4
149.04579	3.1
155.05186	0.9
161.04578	10.2
179.05638	33.6
180.06761	2.3
192.99263	0.8
221.27771	0.9
260.39044	0.9
298.98413	1.2
341.10934	35.4
342.11066	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	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
52.41811	0.4
59.01369	0.5
67.22921	0.5
70.82871	0.6
70.83209	1.0
82.88873	0.5
137.02428	1.1
157.79526	0.5
161.02438	1.8
163.04071	1.8
164.04800	100.0
165.05101	5.0
179.07144	84.4
180.07504	4.0
267.06662	0.8
309.08163	0.5
341.12415	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	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93587	13.9
71.09319	29.6
71.09663	13.3
78.69235	14.8
289.06442	13.7
318.96893	14.5
342.20367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74991	0.1
58.00596	0.1
59.01381	96.7
60.01712	1.0
61.98819	0.1
66.14424	0.1
69.48286	0.5
69.48701	0.3
82.95432	0.2
84.78848	0.1
91.27489	0.1
96.33188	0.1
115.02554	0.3
117.00405	0.2
141.00476	0.1
157.03569	6.5
158.03726	0.5
159.01500	3.9
160.01648	0.3
183.01331	0.1
185.01106	0.1
190.16542	0.1
199.98787	0.3
201.02563	100.0
202.02722	8.1
203.98701	0.1
212.69832	0.1
343.03772	1.9
344.03708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	94.2
60.01717	0.8
70.83201	1.4
71.01391	1.5
87.00895	0.5
89.02453	1.1
101.02425	0.6
107.17866	0.4
115.02581	0.5
119.03545	0.5
130.08752	23.0
131.08287	1.7
133.67331	0.5
156.99995	0.5
157.01718	0.6
157.02289	0.6
157.03566	6.8
159.01482	2.4
168.99911	0.6
173.03116	2.3
173.10374	0.9
175.02811	1.5
181.05101	0.7
188.07846	0.7
199.01033	3.5
200.01108	0.6
201.02570	100.0
202.02737	8.4
239.00761	0.5
240.07201	1.3
278.74066	0.5
299.13715	0.6
301.16159	1.0
340.73355	0.5
343.03781	1.2
343.12888	1.0
343.17239	14.8
344.17529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02988	0.9
70.87979	2.2
70.88318	1.0
71.01377	2.8
81.55621	0.8
93.03459	5.3
96.00923	1.4
98.02512	1.4
108.02183	14.7
109.02968	29.0
115.00392	3.5
119.05050	9.3
121.02943	1.8
122.03748	8.8
123.04458	1.6
130.08768	1.8
133.06595	1.8
134.03802	1.7
135.04539	54.4
136.04849	1.4
137.02440	1.8
145.06610	2.1
147.04501	1.1
148.05261	1.0
154.02721	1.4
161.06142	1.9
163.04103	5.3
179.03513	19.6
180.04128	1.0
213.62254	1.1
220.88252	1.0
226.06398	14.2
227.07166	11.9
239.07043	2.6
253.08749	3.2
255.10287	100.0
256.10583	8.0
293.01483	0.9
308.84924	1.2
309.14557	6.0
326.17169	2.9
343.08078	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	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.28205	1.3
59.01373	13.0
69.25220	1.4
70.06231	4.8
70.06567	1.5
74.02491	2.4
85.70905	1.4
98.21794	1.6
109.02969	4.9
109.06630	4.3
116.07180	9.5
119.05023	2.4
121.02934	9.3
130.45792	1.3
135.04567	6.3
137.06093	26.8
149.51250	1.6
161.98506	1.4
166.06358	4.9
181.05072	100.0
181.08621	4.1
182.05423	4.3
226.11981	4.7
263.91995	1.8
309.09140	1.5
343.10126	6.9
343.19748	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	343.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	7.3
62.42564	4.1
66.92895	4.6
69.98086	14.8
92.05075	61.5
95.06152	8.3
98.21790	4.1
103.75167	4.1
106.04186	6.4
107.05033	10.3
111.03175	22.4
119.05022	14.2
135.04539	8.2
136.04048	39.0
148.04062	25.6
151.18867	4.3
157.07712	12.5
163.06270	14.7
181.05162	26.0
258.08820	67.8
278.67529	4.8
290.76004	5.3
300.11078	100.0
306.53543	4.4
312.33273	4.3
343.10831	14.3
359.87244	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	343.1403
Annotation	Taxuside
Peak:m/z	Relative Intensity
53.02581	3.2
54.00983	3.9
55.01853	4.2
56.20544	3.4
59.01384	49.9
59.97721	3.0
60.51036	3.7
71.01382	32.1
71.31445	3.9
71.31950	5.7
72.99290	3.6
76.45850	3.5
83.01401	6.8
85.02956	10.6
87.00868	6.2
89.02457	24.0
92.21310	3.4
101.02468	19.9
113.02476	15.8
113.99412	3.1
119.03447	6.3
126.19705	3.9
159.13655	3.6
163.07668	5.3
213.99855	4.2
264.88416	3.7
343.14047	100.0
343.23792	4.5
344.14383	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	343.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97957	0.3
54.50000	0.2
59.01380	17.7
63.27029	0.3
67.08218	0.3
69.80638	0.8
69.81038	0.4
71.01359	0.4
72.00903	0.3
84.08189	0.6
89.02485	0.3
93.69342	0.3
98.22488	0.6
101.65954	0.3
114.05677	0.4
117.00422	0.5
125.00936	0.3
126.98878	0.4
128.07187	0.5
129.33160	0.3
130.08745	100.0
131.08264	1.1
131.09093	2.5
132.08604	0.4
150.04137	0.3
157.03575	1.3
159.01526	0.6
168.99867	1.3
172.00984	0.5
173.10400	0.7
188.07765	1.7
201.02556	18.0
202.02718	1.7
216.00270	0.3
222.15543	0.3
228.07285	0.7
230.08855	2.0
240.07298	3.1
243.08473	0.6
291.93036	0.3
299.14618	2.7
301.16183	3.5
302.16599	0.3
343.17245	57.5
344.17468	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	343.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84183	7.8
60.53571	10.6
71.31091	12.3
73.90038	8.3
113.03557	12.5
116.07192	35.0
119.01182	8.9
130.08759	100.0
135.04485	23.6
137.96222	10.6
153.06792	8.9
185.16583	24.8
212.10501	10.8
229.15610	18.2
249.01469	10.1
261.12512	21.9
304.82806	9.7
309.14502	35.9
326.17194	35.1
341.63168	10.3
343.19955	99.8
346.04990	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	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.73269	1.1
57.03454	2.8
59.01384	5.5
60.43830	1.2
65.01765	1.0
66.09512	1.0
69.03558	1.5
69.03930	12.2
71.01388	2.1
71.05024	3.8
81.03459	1.6
83.05036	2.2
84.02169	2.6
85.02969	3.3
85.06602	2.1
87.04518	1.8
87.60792	1.3
95.05048	3.2
97.06599	4.6
109.06615	1.2
113.06110	1.2
125.09747	2.2
127.11333	1.2
127.35279	1.1
135.08197	1.1
171.10291	11.6
181.12325	3.1
183.10236	1.3
199.13403	2.7
201.11360	2.2
205.15965	1.5
209.11909	5.2
211.13388	7.7
227.12894	1.6
229.14436	9.2
237.14955	4.9
238.15442	1.1
249.15036	1.5
289.18277	1.3
294.64920	1.1
325.20279	5.0
343.21262	100.0
344.21646	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	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97606	3.5
53.04885	3.1
59.01384	28.3
59.12532	4.1
70.61436	8.7
70.61781	7.1
71.01046	4.3
71.01379	26.1
72.00900	13.9
78.95905	17.1
88.04032	8.4
89.02454	31.5
101.02452	10.1
113.02477	4.7
119.03543	6.4
136.94009	7.6
147.04515	34.6
160.29134	4.4
164.07181	100.0
179.05641	9.5
199.57864	4.2
211.00244	4.8
228.17163	12.8
274.51886	4.9
284.01315	6.7
344.18161	8.1
345.17773	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	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43105	21.3
69.59379	100.0
98.22500	27.7
99.60637	21.7
110.23724	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1826
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
59.01381	7.4
64.03523	1.2
69.61533	7.4
71.01387	37.7
72.01700	1.5
73.02921	1.9
73.04084	6.8
74.02477	9.0
81.03447	2.1
81.37418	1.3
82.06614	1.6
87.05658	1.7
88.04046	51.5
93.03510	1.4
96.00896	2.3
96.92274	1.3
98.21849	2.3
103.01478	1.3
103.05133	2.3
108.02131	1.6
109.02982	2.9
110.03263	2.7
111.00845	1.5
114.33799	1.5
115.00376	50.8
115.08778	17.7
116.07193	10.8
117.07554	1.8
119.05028	3.0
120.05356	1.3
125.02448	3.1
125.07198	3.5
127.05065	1.9
128.03516	2.7
129.10359	11.5
130.08759	10.9
132.03038	15.9
132.90550	1.3
133.02992	7.3
134.03320	9.5
135.03569	2.0
135.04536	15.4
136.03761	3.5
136.04826	13.8
137.04979	1.6
137.09695	3.0
138.05431	1.6
143.11931	2.7
155.11874	1.5
157.13467	6.3
161.02451	16.1
162.02797	27.9
163.02972	11.0
163.07562	1.7
164.03250	12.6
166.08714	3.4
169.09753	1.8
170.05626	1.7
172.15302	1.5
179.03548	5.8
180.03888	6.4
181.03868	2.2
181.08652	2.4
181.13448	3.5
182.04257	2.5
183.03033	1.4
183.11369	2.2
183.14980	4.8
185.16592	4.3
187.10806	1.6
200.14014	2.3
201.12407	1.6
204.03770	4.1
206.04309	3.8
210.16083	3.0
211.14516	11.6
214.15660	2.9
226.06177	1.6
227.06584	1.6
227.10315	4.1
228.17175	100.0
229.15540	36.2
229.17491	4.8
230.15883	2.8
255.10242	3.5
256.10632	13.8
256.20392	2.0
263.76169	1.4
269.06595	2.5
300.19284	15.6
301.15216	2.7
313.16321	1.5
314.23013	1.4
315.16739	3.1
326.17029	3.5
344.09656	7.4
344.18173	91.2
345.18076	15.2
356.48239	1.7
363.03281	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	344.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86433	6.3
54.53855	6.3
59.01375	11.7
69.73675	39.7
70.24350	6.0
76.37292	6.5
96.00883	10.9
98.02498	22.3
98.22486	12.9
109.01739	8.4
115.08777	8.3
116.07193	58.4
124.07702	15.8
130.08717	12.5
140.07286	7.2
150.98289	6.6
166.08727	36.6
183.24069	5.8
210.07719	13.0
216.71190	7.0
221.16701	9.7
265.15463	9.5
309.14539	100.0
310.14865	11.2
326.17230	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06755	2.2
59.44695	2.6
68.18813	2.6
70.02989	3.1
81.02165	4.6
87.05659	2.6
96.00970	6.8
98.02499	19.1
113.03613	7.4
116.07195	21.0
120.01165	2.9
121.02982	3.9
122.44544	2.3
124.07688	9.3
125.07159	3.1
126.05679	2.7
130.08755	49.5
138.09273	11.4
140.07175	5.1
152.07153	19.1
152.99545	3.8
166.08775	8.5
185.16545	7.2
211.14584	9.6
219.15112	3.2
221.16628	10.7
222.10037	3.9
229.15602	10.1
247.14407	4.9
257.12912	2.6
265.15533	6.4
309.14581	100.0
310.14828	9.8
326.17264	45.3
344.18585	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	344.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27563	2.1
57.03443	2.3
59.01385	31.3
62.95041	1.9
71.01394	3.2
71.02505	6.0
71.70753	2.2
73.04077	100.0
73.17551	2.1
82.06657	4.9
85.04062	2.8
87.00913	2.8
94.06641	4.0
98.22566	6.5
103.05157	25.2
119.04987	2.5
130.08760	2.4
140.07185	14.2
141.10332	3.3
149.06073	2.5
155.11935	2.5
164.14407	3.6
167.08336	2.4
169.09819	2.5
181.17087	2.5
181.29984	2.4
197.09769	22.3
197.16682	8.4
199.30272	2.0
200.59286	2.1
204.00012	2.3
208.13486	15.8
211.11342	3.5
211.17769	2.1
213.12891	5.3
225.16077	13.5
229.53696	2.8
238.19273	24.5
239.19504	2.6
245.11749	2.3
257.11951	3.9
268.20416	3.1
282.18240	22.6
283.18634	3.7
301.10934	4.3
310.18237	3.3
314.20877	27.2
344.21902	10.2
345.15604	2.3
345.22891	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	344.2192
Annotation	Leu Ile Thr
Peak:m/z	Relative Intensity
58.02986	1.9
59.01389	12.8
60.01678	2.1
61.01785	1.9
61.10114	1.5
71.01392	9.6
71.31956	3.4
73.02937	5.1
74.02483	94.8
74.09727	1.4
79.30930	1.3
82.06619	3.1
85.02990	1.4
85.04118	1.7
89.02447	4.1
93.03478	1.9
95.01325	1.7
97.12015	1.5
99.00878	2.9
101.02441	2.4
109.02962	3.3
110.03323	2.0
111.00918	1.6
112.07740	1.4
113.02407	1.8
114.05631	1.8
115.00414	1.9
116.07150	2.5
118.05111	5.5
119.05022	3.3
120.05370	2.0
121.88362	1.6
126.09261	3.9
129.01921	1.9
129.10359	44.8
133.02962	16.3
134.03317	18.5
135.03491	6.0
135.04530	14.4
136.03766	5.3
136.04868	14.2
137.06036	2.9
137.09695	4.2
138.05429	2.7
138.06477	2.8
139.08780	4.2
143.11916	34.4
144.12383	1.4
152.07109	2.0
153.10323	1.7
155.03520	6.6
161.02466	42.1
162.02797	65.4
163.02975	31.9
163.07683	3.2
164.03249	30.3
167.08299	3.0
169.13486	4.3
179.03487	7.5
180.03856	11.5
181.03972	5.6
181.05276	3.5
181.08641	4.5
181.71967	1.4
182.04185	4.9
182.05441	5.9
182.08998	2.0
187.10823	2.1
189.89449	1.4
195.14989	4.4
197.16580	7.9
212.82031	1.4
225.07695	1.7
225.16118	22.4
227.06818	1.7
228.07524	2.4
243.17203	7.2
255.10257	1.8
256.10663	11.4
256.20340	31.2
257.10754	2.1
269.06644	3.7
282.18393	2.3
282.21765	3.1
284.07544	2.1
300.19333	100.0
301.09402	2.1
301.19687	6.5
344.09583	17.9
344.18045	3.2
344.21927	34.2
345.22021	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	344.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62055	0.4
55.89235	0.4
59.01385	2.7
64.25324	0.5
69.13728	4.2
70.24298	0.4
71.01385	2.7
71.02523	0.5
73.04076	8.5
74.02483	0.7
83.02523	1.0
85.02989	0.7
88.04039	0.7
89.02468	1.5
96.00935	0.4
97.06597	0.7
98.22526	0.9
101.02460	1.3
101.07236	1.1
112.07729	0.5
113.02441	1.1
114.09267	0.8
115.00356	0.5
119.03574	0.6
125.10855	0.6
127.05154	2.8
129.10364	2.0
130.08746	100.0
131.09073	3.2
139.07794	0.8
139.08757	4.1
140.07207	3.4
141.09267	1.1
141.10307	4.9
143.11932	3.1
145.06210	2.6
153.06953	0.4
155.08327	0.6
164.03546	2.1
168.11406	0.8
169.09833	12.2
182.15508	1.2
186.12500	1.0
198.12439	0.5
199.18163	34.9
200.18456	1.7
213.12506	5.4
214.12651	0.4
228.16005	0.5
231.12160	0.9
243.17191	3.9
251.14073	0.8
255.10408	0.5
256.10599	1.6
256.20309	12.6
257.20609	1.1
300.19278	36.1
301.19608	3.0
314.90875	0.4
326.17157	1.2
326.20605	0.9
344.18604	3.1
344.21826	62.5
345.15408	2.5
345.22043	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	344.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
61.61973	0.4
63.91030	0.5
66.03498	0.7
71.01399	1.3
71.02516	0.7
72.00941	0.5
73.04077	14.8
74.02491	0.8
82.06631	3.4
83.02517	2.6
97.06620	0.6
109.02968	0.5
112.07713	1.1
114.09245	1.3
114.99054	0.5
115.00401	0.5
116.07166	1.1
126.09293	0.5
128.07185	0.6
129.10364	2.3
130.08748	100.0
131.09097	2.7
139.08784	5.0
140.07184	3.5
141.10344	4.8
143.11891	6.2
151.20251	0.5
152.07130	0.7
152.10788	0.5
168.11436	0.7
169.09842	15.4
170.10229	0.7
178.68201	0.4
182.15494	4.9
186.12498	1.4
187.44984	0.4
191.10457	0.4
196.09756	0.4
199.18167	38.2
200.18456	2.0
209.16658	0.5
213.12442	6.9
243.17136	5.7
256.10547	0.7
256.17566	0.7
256.20309	14.8
257.20645	1.4
284.12402	0.5
290.46979	0.5
300.19290	49.4
301.19678	3.9
326.20804	0.6
344.21851	62.2
345.15540	1.0
345.22198	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	344.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25654	23.2
63.79904	27.8
67.74072	28.2
69.37508	100.0
69.37929	95.4
69.66446	25.6
72.09943	27.5
98.22639	26.9
174.08044	35.0
256.23712	29.2
295.50354	32.9
344.22055	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.5
60.04536	11.8
69.43433	12.2
69.43864	12.0
70.02979	14.2
72.00916	5.8
86.02487	14.4
88.04053	98.4
88.04594	5.0
98.21763	4.1
100.04057	100.0
126.75884	3.2
225.22255	12.1
231.17496	9.3
253.21753	16.3
255.23344	18.6
267.23260	39.0
268.23691	4.2
280.26535	4.4
284.26035	6.8
297.61450	3.9
308.26068	19.4
309.26248	4.8
312.25345	12.1
316.28693	9.9
333.29620	3.5
344.19061	7.8
344.25870	21.5
344.28134	46.1
345.28500	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	345.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	22.7
56.23232	3.3
58.03645	2.9
69.03472	5.7
73.02953	77.4
77.94489	3.2
81.03468	5.2
87.04525	10.2
95.05060	6.5
96.00945	3.9
98.00117	8.1
99.00896	44.3
105.78652	3.2
107.05041	14.2
109.01724	9.6
110.02046	4.3
113.06110	13.3
115.08768	9.2
116.07211	11.8
117.01962	11.3
119.08683	6.0
121.02898	3.3
121.06586	17.6
125.02480	12.2
125.06136	4.1
130.08740	8.1
135.04547	6.3
135.08200	29.5
137.09743	100.0
139.04056	15.5
149.06123	3.8
151.04027	13.1
155.11964	4.0
163.07668	32.7
166.08774	3.6
167.09082	4.0
169.05109	8.7
169.96429	3.2
181.08720	53.9
183.64644	3.1
207.06691	13.0
210.07732	4.8
211.08044	8.3
213.11333	13.4
213.19724	3.4
225.07722	38.6
239.09259	15.2
251.05547	16.1
257.10306	26.2
268.20279	4.5
269.06683	85.9
270.07074	6.2
301.09360	30.2
302.09915	4.5
310.14874	11.3
327.17606	13.5
345.18436	3.6
346.18082	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	345.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.18231	4.7
69.12059	3.5
70.89099	11.5
71.01383	6.5
73.02969	6.5
73.04081	42.8
73.70490	3.7
93.03492	7.6
103.05158	14.0
113.02473	5.3
119.05026	5.5
140.07199	5.0
149.06088	7.7
168.26854	4.3
169.06613	5.8
171.10138	6.0
182.07384	11.1
197.09729	78.9
198.10107	8.2
211.11382	12.9
213.12918	12.0
218.95291	4.3
245.11781	7.3
257.11880	12.6
265.14682	5.6
283.18759	7.4
301.10867	36.1
305.63449	5.0
345.09744	4.9
345.15460	15.9
345.22681	22.0
346.23819	6.1
357.60052	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	345.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73224	1.1
53.26499	1.2
55.01877	6.4
55.89512	1.0
57.03432	4.2
58.00587	4.4
59.01382	73.5
69.03436	1.9
69.13588	5.1
69.14016	6.4
71.01385	58.4
72.99298	4.8
73.02940	14.1
75.00872	1.7
75.09721	1.0
83.01392	10.2
85.02957	24.6
87.00887	4.0
89.02451	25.7
93.03487	1.4
95.01390	5.5
97.02951	1.5
98.21793	2.9
99.00879	5.3
99.04512	1.3
101.02451	45.1
105.90504	1.1
108.02184	35.6
113.02451	21.6
119.03493	10.8
121.02982	10.3
121.10234	2.7
122.03757	2.0
125.02488	2.1
125.74477	1.2
134.03740	2.6
139.11273	1.4
159.03038	2.7
161.04507	5.9
167.10765	1.7
260.16556	4.7
287.20093	3.7
302.21313	5.3
318.24133	1.3
326.21167	8.5
328.22812	18.8
345.12204	1.4
345.15546	92.6
345.22992	9.5
346.16599	8.9
346.23834	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	345.156
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01866	1.6
57.03447	3.1
58.00597	3.1
59.01089	3.1
59.01388	62.7
69.03464	1.6
69.38392	1.3
70.25040	4.1
71.01393	39.9
72.99316	5.8
73.02941	2.3
83.01392	2.9
85.02950	9.5
87.00870	2.4
89.01948	2.6
89.02464	31.9
95.01414	2.8
96.66636	1.3
98.22503	1.8
101.02461	25.3
108.02197	11.0
113.02470	13.9
119.03522	15.9
121.02972	4.4
121.10250	50.0
122.10592	2.4
136.10504	1.3
137.09741	8.4
143.03540	1.3
165.09225	74.7
166.09555	4.1
183.10280	44.8
184.10651	3.0
302.21414	1.9
326.21210	1.9
328.22784	5.8
332.50775	1.6
345.15591	100.0
345.23001	8.5
346.15912	9.0
346.23883	32.9
351.27347	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	346.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44583	0.9
59.01387	65.3
60.01716	6.4
61.01812	2.0
61.98838	100.0
63.72767	0.9
68.82687	1.0
71.31052	1.4
96.96018	7.5
131.42191	1.1
155.35710	1.1
156.03906	1.0
159.03339	1.8
160.01709	1.1
201.02573	7.8
202.02744	23.7
202.98688	1.0
203.02306	30.2
204.00002	44.3
204.02692	9.4
205.00201	2.5
255.85995	1.5
256.36154	5.2
256.85953	14.5
257.36020	5.7
257.85687	2.0
275.88785	1.1
291.58420	1.1
295.83932	2.9
296.33942	11.1
296.83771	29.6
297.33832	8.4
297.83566	7.4
324.83163	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	346.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63245	2.8
76.70426	0.4
78.95908	100.0
79.73106	0.4
88.65015	0.5
96.96965	22.9
102.62098	0.5
107.03651	0.9
111.97357	0.5
134.04729	14.3
138.98033	1.4
150.98004	2.2
164.75568	0.4
192.99066	0.7
211.00122	2.2
242.07123	1.5
266.38092	0.5
312.38440	0.5
346.05569	21.9
347.05847	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	346.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04428	0.3
62.96399	0.3
69.71145	0.6
69.71552	1.1
78.95911	100.0
87.00878	0.7
87.92542	0.3
96.96972	24.0
107.03640	0.9
111.00896	0.9
115.00440	0.4
126.98846	0.3
128.03560	0.5
133.01460	0.3
133.55899	0.3
134.04738	13.2
138.98000	1.7
150.98024	1.9
170.03055	0.7
182.97914	0.6
191.01991	1.0
192.99036	0.5
209.70433	0.3
211.00142	2.4
242.01540	0.5
242.99841	0.4
261.90237	0.3
346.05609	26.4
347.05872	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	346.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12429	0.5
55.36950	0.5
57.29735	0.5
59.01383	15.9
60.01715	1.8
61.98830	28.2
69.94390	2.4
78.95908	100.0
95.48757	0.6
96.96970	23.3
103.92064	0.7
107.03664	0.6
120.97018	0.7
128.03586	0.8
130.08768	0.8
131.08315	0.7
134.04736	15.6
138.98045	1.0
150.98053	2.4
173.10484	1.2
174.99321	0.9
184.91325	0.5
186.12451	0.7
201.02570	1.4
202.02734	4.1
202.98906	2.9
203.02277	6.6
203.98224	1.4
204.00021	11.5
204.02672	1.6
205.00226	0.7
211.00122	10.3
286.58292	0.6
346.05603	26.7
346.16101	1.2
347.05902	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	346.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.0
59.89157	0.7
69.65656	0.7
69.81588	3.7
69.96606	0.7
70.02998	0.8
71.01392	8.3
71.48827	0.8
73.04061	0.7
74.02476	3.5
78.95907	1.4
82.03002	1.2
84.00945	1.0
84.04545	1.1
86.02486	0.7
95.05024	4.2
96.93808	0.7
98.22486	0.9
99.56856	0.7
101.02486	0.8
101.07230	1.1
104.76009	0.6
105.73405	0.7
108.04623	0.8
110.02473	1.0
112.04058	39.3
113.03598	1.0
113.04397	1.2
114.05585	1.1
116.70300	0.7
118.05139	0.9
122.06120	1.0
123.03360	1.1
124.04056	11.8
126.05634	5.2
127.05135	3.2
128.03555	2.0
130.08728	2.0
134.04770	1.0
137.06120	0.7
138.05627	1.8
138.09233	1.4
139.08763	0.9
140.07162	5.2
145.06204	1.0
154.05099	7.6
166.05104	100.0
167.05487	3.4
167.08321	1.0
169.09828	1.5
179.11987	0.7
182.08220	38.1
183.08553	2.0
184.06126	9.4
189.05568	1.2
205.09851	1.1
208.06140	1.3
211.00174	0.8
223.11026	1.5
226.07236	9.7
267.09839	3.7
284.12430	1.5
286.09500	1.0
298.14157	1.2
301.19705	0.7
302.11798	1.3
305.43549	0.7
311.12683	0.8
316.15186	2.9
328.10486	1.4
328.15228	2.9
341.09329	0.8
346.11609	22.4
346.16217	3.8
347.11694	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	346.2388
Annotation	Dictysine
Peak:m/z	Relative Intensity
50.90791	0.2
57.03450	0.4
58.64465	0.2
59.01398	0.3
60.50440	0.2
66.55103	0.2
67.05505	0.2
69.29440	0.6
69.29864	0.8
71.01375	0.2
75.00900	0.2
78.09217	0.2
87.05630	0.3
91.54261	0.2
93.03465	0.4
108.02184	39.3
109.02502	0.8
110.03734	0.8
121.02969	6.9
122.03799	2.7
123.04532	0.6
134.03764	1.5
135.04507	0.7
143.78442	0.2
166.53510	0.2
166.84042	0.2
176.08437	0.3
191.67123	0.2
192.24480	0.2
204.11546	0.2
218.13141	0.4
219.13901	0.2
231.13951	0.3
232.14726	0.6
233.15413	0.9
235.17166	0.2
243.37534	0.2
258.15134	0.3
259.17194	0.3
260.16510	5.1
261.16736	0.3
261.18814	0.2
262.18051	0.2
273.17404	0.5
286.19150	0.3
287.20187	3.8
288.20212	0.5
289.20422	0.4
289.26035	0.2
290.21222	0.5
299.18893	0.6
301.20901	0.4
302.21252	5.7
303.21906	0.9
312.19666	0.8
318.24246	1.3
325.20392	0.5
326.21265	9.7
327.21710	1.1
328.22821	21.5
329.23224	2.6
344.22314	0.5
345.23093	0.9
346.23874	100.0
347.24210	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	346.2392
Annotation	Dictysine
Peak:m/z	Relative Intensity
50.80038	0.7
54.74039	0.6
59.01387	4.0
59.52492	0.7
60.01686	0.7
62.03728	0.7
62.85596	0.8
65.21355	0.8
69.69434	0.7
71.01373	3.0
71.32773	1.3
73.87460	0.7
74.25053	0.6
79.71638	0.7
80.79262	0.7
89.02464	1.9
90.02813	0.7
92.70361	0.7
95.37170	0.7
101.02429	1.8
108.02184	38.4
109.02473	1.5
110.03762	1.0
113.02459	1.3
119.03450	0.9
121.02960	7.8
121.10211	2.2
122.03717	2.3
122.10583	1.5
123.04453	0.8
134.03743	2.1
142.53517	0.7
143.82741	0.9
147.66750	0.8
165.09218	2.6
166.09558	3.0
166.37408	0.6
183.10260	1.6
184.10628	2.3
210.42007	0.8
211.39288	0.7
224.00389	0.9
230.03580	0.7
260.16559	5.3
261.16675	0.9
287.20206	3.4
302.21326	6.4
326.21286	8.9
327.21561	1.2
328.22849	20.2
329.23279	2.2
346.15863	5.5
346.23868	100.0
347.24255	10.6
369.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.53595	1.1
57.03431	2.7
59.01381	49.7
61.98840	1.1
69.49993	5.8
71.01385	28.6
72.01670	0.9
72.99306	6.9
73.02934	1.1
74.79375	1.0
81.30052	0.9
83.01405	1.3
85.02959	6.3
87.00893	1.1
89.02453	28.1
95.01386	2.0
96.96001	1.3
99.08138	1.6
101.02448	20.2
110.35314	1.0
113.02452	10.7
119.03508	13.5
139.11348	4.8
151.58449	1.0
165.48380	1.1
167.10780	100.0
168.11168	4.4
181.28427	1.1
185.11836	24.1
186.12151	1.7
223.49165	1.0
227.12868	1.3
347.17130	84.0
347.24170	3.6
348.17346	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	347.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	12.6
61.98833	21.5
69.14364	100.0
74.74329	11.3
79.14957	9.6
80.86108	12.0
124.60967	10.9
127.54321	9.7
160.97615	10.3
188.97255	24.2
310.06851	13.7
329.17633	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Alboatisin B
Peak:m/z	Relative Intensity
51.10319	1.3
62.45939	1.4
63.33157	1.4
74.87354	1.6
79.31239	1.6
83.04987	1.8
95.11359	1.4
137.02403	2.4
152.21303	1.3
153.05576	2.7
167.07170	2.7
189.12851	2.0
193.71596	1.3
199.03703	1.6
229.23305	1.7
240.31915	1.6
243.10231	2.7
244.10980	2.4
257.19101	6.3
271.09631	1.6
285.15079	1.9
301.18115	6.8
315.19653	46.7
316.19998	5.0
319.19272	4.2
329.17606	30.0
330.17990	3.4
347.18658	100.0
347.22153	4.5
348.18912	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	347.1864
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
61.98808	2.0
64.88607	1.4
69.45499	10.5
82.39452	1.7
91.75047	1.8
96.95983	1.6
109.06647	4.0
130.72250	1.6
135.08151	14.7
146.66177	1.7
148.09007	1.9
163.11224	3.7
178.24367	1.6
179.07018	2.0
191.14377	3.1
212.29721	1.7
241.16037	9.5
243.17563	2.6
243.58163	1.7
257.19119	9.9
258.19629	2.0
259.20682	59.3
260.20947	4.4
275.20105	3.8
301.18219	2.1
303.19656	100.0
304.20059	10.1
347.18658	86.8
348.19028	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	347.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.52755	69.1
85.00415	46.6
86.50591	28.5
105.21307	31.3
109.33286	25.7
120.10141	24.4
141.90416	31.0
152.91815	45.3
160.97679	56.6
170.31987	23.6
181.44557	24.6
188.97243	75.7
202.98734	89.9
215.12373	35.5
243.63260	22.9
304.23520	28.9
344.05695	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2231
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
61.98832	1.4
71.32653	1.1
71.33011	0.9
164.08397	2.2
188.97165	1.7
196.07474	1.1
201.09215	1.0
243.10306	3.2
244.11069	5.3
257.11905	1.0
262.97800	0.8
272.14209	1.7
272.17831	0.8
283.16776	0.8
299.16537	1.8
300.17239	2.6
315.19638	100.0
316.19980	10.7
347.18481	2.2
347.22141	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	348.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46258	0.5
59.01368	1.8
60.29248	0.5
66.03487	1.0
70.69003	0.6
70.69328	0.9
71.01384	2.2
71.02517	3.3
72.99332	0.5
73.04069	3.7
73.73149	0.5
78.32740	0.4
79.83989	0.4
80.96516	0.8
81.02221	0.7
83.02509	1.8
85.02985	0.7
88.04048	8.0
91.05569	0.7
93.03449	0.5
97.06581	0.6
99.00908	2.7
101.02454	1.2
103.05118	2.9
104.03553	1.9
111.00877	1.1
111.02007	0.6
112.02819	0.6
114.05613	100.0
115.05972	2.6
117.07111	0.6
118.06660	1.8
120.01271	0.5
125.09761	4.5
129.07114	0.6
130.08769	4.3
131.05054	1.0
135.04553	0.6
145.06595	3.3
149.02524	0.8
150.09953	0.5
157.13406	0.5
158.06114	0.9
159.09238	0.5
160.07678	1.5
161.02444	0.5
161.04547	0.8
164.07156	1.2
167.08235	1.6
171.04524	1.2
173.06096	2.7
174.05623	5.8
175.04027	0.5
186.05545	1.2
187.08298	0.8
187.09793	7.8
201.06725	0.8
203.08275	8.9
215.03441	1.0
216.06670	0.9
217.05025	2.3
217.06865	1.0
226.15695	0.6
233.09320	26.9
234.09639	1.5
259.14523	0.9
261.04022	1.5
261.12378	0.6
274.15625	1.0
304.16754	0.7
305.03268	0.6
318.14923	2.8
348.15668	23.2
348.19189	1.9
349.01971	4.6
349.06229	1.1
349.15878	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	348.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	18.7
67.93678	19.1
71.33566	29.8
87.02276	17.1
97.01171	16.8
106.17328	16.9
116.92891	17.4
242.16237	29.2
242.79753	17.5
297.48401	19.5
304.20068	43.3
348.18954	100.0
349.19958	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21315	1.1
59.01375	3.3
66.03448	1.0
69.52589	6.6
70.02989	1.3
71.01363	1.1
72.00906	3.3
73.04057	1.6
82.06618	1.7
83.05026	1.1
85.88151	0.9
87.05643	28.6
91.05527	3.0
97.04089	6.4
98.21818	2.0
101.03567	1.7
108.02187	1.8
109.02520	1.2
110.02737	1.3
116.07216	1.8
118.06639	2.7
121.26757	1.0
123.25880	0.9
125.05937	1.0
129.10379	8.5
130.08752	20.6
131.05042	1.1
135.04539	2.0
147.04539	23.8
148.04935	1.4
153.10358	1.9
154.07111	1.1
155.11884	4.6
156.02847	1.1
157.13480	2.1
161.02361	1.4
164.07176	58.8
165.07535	2.3
182.13043	5.6
183.11398	15.2
186.05563	1.3
200.14050	44.7
201.14435	2.4
216.13976	4.4
217.09802	4.2
233.16582	4.4
304.20142	7.0
330.23502	2.2
348.19315	100.0
348.24353	9.9
349.19608	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	348.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21315	1.1
59.01375	3.3
66.03448	1.0
69.52589	6.6
70.02989	1.3
71.01363	1.1
72.00906	3.3
73.04057	1.6
82.06618	1.7
83.05026	1.1
85.88151	0.9
87.05643	28.6
91.05527	3.0
97.04089	6.4
98.21818	2.0
101.03567	1.7
108.02187	1.8
109.02520	1.2
110.02737	1.3
116.07216	1.8
118.06639	2.7
121.26757	1.0
123.25880	0.9
125.05937	1.0
129.10379	8.5
130.08752	20.6
131.05042	1.1
135.04539	2.0
147.04539	23.8
148.04935	1.4
153.10358	1.9
154.07111	1.1
155.11884	4.6
156.02847	1.1
157.13480	2.1
161.02361	1.4
164.07176	58.8
165.07535	2.3
182.13043	5.6
183.11398	15.2
186.05563	1.3
200.14050	44.7
201.14435	2.4
216.13976	4.4
217.09802	4.2
233.16582	4.4
304.20142	7.0
330.23502	2.2
348.19315	100.0
348.24353	9.9
349.19608	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	349.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	75.4
59.25625	5.9
71.01386	45.5
71.31056	11.8
81.03453	36.9
85.02970	15.5
89.02475	25.8
95.05063	11.3
99.04528	63.5
101.02468	16.1
109.06579	6.6
113.02490	31.8
113.03193	5.2
113.06126	10.6
114.09280	10.3
123.04546	70.5
125.02473	64.8
135.04523	9.6
142.08736	13.7
143.03511	64.3
151.45186	6.0
153.69507	6.4
167.03546	8.3
169.33348	5.2
179.05666	6.6
181.65269	6.1
183.06631	7.9
187.02502	7.2
188.09337	35.9
202.91635	6.7
229.25983	6.1
245.06667	5.7
313.11282	15.9
350.14639	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	349.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98198	3.4
57.03435	4.7
59.01382	23.5
67.65707	3.0
73.02891	3.8
74.66959	2.9
83.05032	4.7
95.52469	3.1
96.96007	7.6
99.00890	22.7
120.05807	11.3
123.08141	4.3
129.07072	5.1
133.06610	5.5
145.06592	13.8
147.08153	15.6
152.04790	5.6
167.07152	6.0
173.06094	88.3
174.06395	4.7
187.11365	4.1
215.14450	6.1
217.04961	4.8
217.16054	18.1
221.05429	3.3
228.86624	4.1
243.11450	7.4
243.13876	100.0
244.14128	7.5
261.14813	4.6
287.12897	85.5
288.13174	6.7
331.08160	6.5
331.11899	86.2
332.12250	9.4
349.12936	71.3
349.16623	2.4
349.20047	6.3
350.13333	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	349.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06945	5.0
59.01375	13.8
69.31234	23.5
69.31650	20.7
71.01394	10.8
78.63966	6.2
80.96547	9.7
83.05077	8.3
85.02972	7.0
91.83177	7.0
95.05042	6.1
96.96028	13.3
99.00887	9.4
101.02473	6.8
107.05013	15.0
120.05828	15.3
124.01694	12.4
125.02470	12.0
129.10376	11.7
133.06674	14.2
143.50044	5.7
147.04506	7.2
147.08165	69.4
152.04802	17.1
152.55003	6.2
164.04825	18.7
189.41737	6.1
192.08015	7.3
196.03804	19.9
217.16000	100.0
224.06911	26.3
243.13945	11.2
261.14978	44.0
277.15619	17.5
305.14053	9.7
349.13150	12.2
349.19055	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	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55481	0.4
57.01400	0.4
57.03450	2.1
59.01383	3.8
71.01373	1.8
71.32988	0.6
85.02947	1.2
87.05640	1.0
87.90685	0.4
89.02436	1.2
95.01392	0.7
95.05042	0.9
97.06590	6.5
99.00909	2.9
101.02460	1.0
101.03501	0.5
111.00895	0.8
113.02450	2.4
114.47011	0.4
117.07111	0.7
119.03538	0.5
119.05010	0.6
123.08183	3.1
123.84501	0.5
124.08598	0.4
125.09734	53.4
126.10062	2.9
130.08711	1.1
131.04955	0.6
131.09122	0.6
143.04953	0.6
143.10794	1.5
143.39392	0.4
145.06593	2.5
149.02484	0.5
167.10759	1.7
169.08707	1.9
171.04550	1.0
173.06094	2.6
175.03955	0.6
187.09766	100.0
188.10156	5.1
189.05658	0.6
201.11354	1.9
211.09738	3.7
215.03496	1.2
217.05037	3.0
229.10771	2.0
261.04080	1.6
305.03134	0.5
318.23740	0.4
349.02106	4.7
349.15262	0.8
349.19223	2.0
350.02182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.00578	1.3
59.01089	2.2
59.01383	42.2
59.46820	1.4
61.98817	1.6
62.42422	1.2
64.86862	1.2
69.46745	2.2
69.47150	7.7
71.01383	21.8
71.51089	1.3
72.06057	1.3
72.99318	2.4
73.02945	1.5
82.50219	1.4
83.05025	1.3
85.02950	5.2
87.00887	2.3
89.02456	20.6
97.02989	1.3
101.02444	14.1
113.02434	6.1
119.03499	6.1
139.11359	1.7
141.12860	37.8
142.13222	2.6
169.12334	5.8
171.13989	1.6
183.13951	2.1
187.11710	3.1
187.13403	64.5
188.13684	3.1
212.37018	1.4
217.16017	2.2
229.14357	1.9
349.18701	100.0
350.19040	10.0
355.45221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.01884	2.2
57.03448	2.9
58.00582	2.8
59.01383	100.0
71.01385	68.7
71.33225	2.2
72.00938	1.9
72.99297	5.0
73.02966	6.7
73.03693	1.7
73.04073	19.7
80.96500	1.4
83.01385	3.7
85.02959	15.4
87.00881	3.4
89.02450	72.8
95.01402	5.0
99.00883	3.1
101.01806	2.7
101.02450	41.0
113.02460	28.2
119.03513	28.3
125.02453	1.2
129.05772	1.2
130.06651	7.7
130.08720	1.9
131.03526	3.7
134.80270	1.2
143.03555	5.8
147.04510	9.5
149.04539	2.1
161.04579	16.2
163.04210	1.3
164.07178	11.1
167.40086	1.3
179.05592	15.7
187.13408	5.0
200.41223	1.1
202.09839	15.6
216.63550	1.2
221.09317	5.2
266.65405	1.4
306.16110	3.6
349.13275	1.3
349.14114	1.8
349.18784	27.1
350.15094	40.4
350.18951	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	349.275
Annotation	13E-Labdene-8alpha,15-diol 15-acetate
Peak:m/z	Relative Intensity
50.38200	2.0
53.23138	2.4
53.29483	2.0
60.01279	2.5
69.92543	2.7
70.44914	5.1
72.15237	2.3
72.22333	2.3
83.53214	2.7
99.56177	2.2
106.55113	2.4
120.04903	2.4
294.07959	2.6
303.26907	3.1
349.27481	100.0
350.27826	12.5
374.16885	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	350.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.8
71.01390	14.0
71.16816	6.6
73.04066	13.0
74.02480	21.7
81.03436	3.3
84.04546	5.2
85.02964	4.3
85.04088	7.4
87.05650	18.1
88.04048	16.4
89.02447	3.9
101.02488	3.1
102.05627	17.6
104.05090	4.2
111.02014	19.5
113.07253	3.3
114.05647	6.8
115.00381	8.9
115.08775	5.8
122.06128	3.5
123.04536	12.3
125.02457	100.0
126.02801	4.7
128.03563	71.2
128.04561	5.4
129.10330	5.4
132.03036	3.7
135.04552	9.4
143.11845	3.9
146.04599	12.2
146.06078	13.5
147.04468	3.4
152.03552	70.6
153.05571	8.8
162.06502	4.2
164.07190	17.3
165.07542	3.5
165.36900	2.6
166.73932	2.6
167.04669	9.4
169.09773	3.4
176.07251	2.7
180.06633	3.5
181.54831	2.9
184.11041	3.2
189.05702	6.4
189.07660	13.4
190.05905	15.2
194.04550	6.4
203.08293	12.2
221.09319	40.3
229.11902	3.9
230.12294	3.2
234.12584	9.0
235.10890	6.4
247.25227	2.8
253.44073	3.4
257.09360	4.0
306.14566	9.6
315.10840	15.3
320.16037	4.9
350.13541	31.9
350.17392	14.5
351.13397	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	350.1457
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
58.02986	8.5
59.01382	33.8
61.98831	7.8
62.61825	1.8
71.01381	20.2
71.26552	1.5
71.30864	2.7
72.99334	2.0
73.04066	5.2
74.02458	4.0
78.95913	2.7
83.01382	2.4
85.02950	4.5
87.00900	2.6
87.05664	2.4
89.02452	15.0
99.05676	3.6
100.07690	4.4
101.02435	11.3
102.64129	1.8
113.02457	7.5
114.09275	10.1
119.03507	6.7
119.05047	4.8
126.09261	6.1
127.49705	1.7
131.04613	2.5
142.08746	24.4
144.07785	6.9
144.33685	1.8
148.94861	1.6
154.06259	4.1
156.07745	2.6
156.10231	1.9
166.25041	1.6
170.08229	5.9
184.09836	2.1
188.09294	46.4
192.95866	2.0
194.04298	3.6
196.05814	1.8
198.08856	6.0
201.09940	2.7
202.05144	3.3
205.99576	2.2
221.82022	2.1
276.09637	1.8
350.14575	100.0
351.12933	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	350.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01383	10.2
61.76870	1.3
61.98816	1.3
69.22815	7.4
69.23223	3.6
71.01374	6.1
71.02501	5.7
72.00900	2.9
73.04072	39.8
74.26456	1.2
74.99110	1.3
85.02956	2.6
89.02426	4.2
90.06232	1.3
96.96017	4.2
98.21789	3.2
101.02456	5.1
106.41026	1.4
113.02471	2.0
116.05035	2.1
119.03517	2.3
130.06627	18.6
133.02988	3.0
135.04515	3.7
147.04538	23.7
157.07782	2.1
161.02473	13.7
161.04747	2.5
164.07173	22.6
165.07524	1.9
175.08844	3.1
179.03433	1.5
180.03497	1.4
202.09866	31.1
203.10184	1.8
221.09348	13.5
306.16095	6.4
306.52768	1.4
307.16080	1.8
323.07785	3.1
350.15097	100.0
350.23358	3.2
351.11206	2.5
351.15332	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	350.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21861	1.1
59.01383	1.0
69.21610	7.5
73.04075	31.7
74.02468	2.0
79.76868	0.9
83.02518	14.1
83.28316	1.0
85.04079	3.5
87.05647	2.4
90.98592	1.0
93.03445	2.4
99.00890	1.0
107.05006	1.2
108.04530	1.1
111.01918	0.9
113.03578	9.2
116.07170	7.3
119.05041	29.2
130.08748	100.0
131.09087	3.4
133.20049	0.9
135.04518	1.0
143.11905	28.0
144.12274	1.2
145.09843	0.9
147.04507	3.5
153.84280	0.8
164.07158	3.1
172.10985	1.7
176.01094	1.0
176.36452	1.0
187.10974	1.7
200.14058	15.9
202.12398	2.3
218.10518	1.6
218.79857	0.9
219.07748	22.1
223.88048	1.1
232.13443	24.5
233.13765	1.9
239.98122	0.9
244.13063	11.0
306.18204	3.1
320.15994	1.4
325.20593	0.9
350.17224	93.9
351.17505	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
69.34035	0.9
69.34381	7.7
71.01358	0.9
71.02537	1.1
72.00902	4.7
73.04079	10.9
76.04745	1.2
80.72614	1.0
83.02515	2.4
85.04055	1.1
91.05541	4.6
98.22541	1.1
99.00912	1.2
101.02508	1.3
108.04569	1.7
111.04420	1.7
113.03652	1.1
115.08792	18.7
116.07197	4.0
119.05043	3.2
125.07224	3.0
126.05618	4.0
127.08779	1.6
130.08755	13.2
135.04524	2.5
143.11914	4.3
147.04544	19.0
154.09875	8.7
155.08240	3.1
164.07184	59.2
165.07542	3.4
172.10942	53.9
172.12488	1.7
173.11264	2.2
174.39613	1.0
179.03540	1.9
180.60869	1.1
185.09326	3.9
200.14088	2.4
203.18272	1.0
212.10376	1.7
219.07794	4.1
219.15044	12.2
230.08191	1.5
232.13417	2.6
233.09293	1.3
238.05791	1.2
244.13031	3.1
263.14090	1.2
276.17206	10.2
277.17691	1.5
320.16162	9.4
332.16299	2.6
350.17258	100.0
351.05020	1.3
351.17444	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	351.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.6
58.02966	1.6
59.01388	100.0
60.01717	2.2
69.81725	6.0
71.01398	23.3
72.00908	1.4
72.14422	1.4
72.99335	2.7
73.02959	4.3
73.04085	26.3
74.02486	20.4
78.95934	1.7
81.03459	2.3
82.59200	1.3
82.85014	1.5
83.01397	1.8
85.02961	7.1
85.04111	3.6
86.23341	1.8
87.05660	8.7
89.02451	14.7
93.03438	1.6
93.41429	1.5
95.01402	1.9
97.02964	6.9
99.00901	5.3
99.04539	1.6
100.07741	1.6
101.02448	15.9
110.07245	1.5
111.00916	1.4
111.02013	2.2
112.05166	1.4
113.02457	10.2
113.03572	8.0
114.09218	1.5
116.07199	1.7
119.03510	5.2
119.05031	12.2
125.02458	11.6
127.04006	4.3
129.05606	1.9
130.06244	3.8
142.08730	3.5
143.03575	2.6
143.09129	2.1
144.07813	23.8
150.19928	1.4
150.94832	2.7
153.05623	2.1
155.02051	5.7
158.06131	8.6
159.02998	1.8
161.04570	12.0
165.00497	3.7
169.36642	1.5
170.05766	5.2
171.02972	8.5
176.07211	8.1
179.02174	2.0
179.05707	2.1
180.06818	2.0
180.99916	2.8
181.03662	2.1
183.01514	8.5
188.09322	6.6
189.07925	1.4
189.09648	6.1
189.12988	1.7
192.95912	18.2
197.03133	3.8
198.99228	2.4
201.09973	8.1
202.05090	10.7
207.01509	3.5
208.99483	12.6
221.01648	2.8
237.08780	2.0
239.02345	3.5
239.04492	2.9
245.08841	3.4
250.11821	1.9
261.77057	1.5
263.02615	5.1
269.10065	1.5
276.09985	3.0
281.03635	8.5
291.10947	14.4
307.01611	2.5
307.14194	2.1
308.12634	3.6
325.02667	24.8
326.02789	5.2
351.00778	2.9
351.13837	32.1
352.08344	1.6
352.14011	4.5
352.19904	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	351.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33778	0.4
70.33581	0.4
70.33916	1.2
72.00914	13.4
91.05547	0.6
102.56907	0.4
103.05521	0.8
103.58431	0.4
119.05053	0.6
128.14951	0.4
147.04533	44.8
148.04851	2.4
164.07178	100.0
165.07524	4.1
169.29773	0.3
187.98685	0.5
245.46692	0.4
351.13263	12.5
352.13666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.5
69.43044	12.1
71.01388	7.5
74.86001	1.6
74.96187	4.3
84.27208	1.6
95.73540	2.1
128.97267	5.5
177.09210	4.3
192.11575	7.6
192.95869	7.4
193.88553	2.1
205.12364	5.3
208.93710	1.8
218.09494	3.1
220.14691	56.1
221.15475	100.0
222.15775	8.6
231.17554	2.1
236.10562	78.0
237.11020	5.6
275.16513	5.2
276.87527	1.8
278.10635	5.9
279.11441	2.0
293.17621	19.2
294.05353	3.4
328.35602	1.8
333.12396	6.7
351.13510	55.1
351.17880	3.1
352.13733	4.4
367.45859	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	351.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
57.67425	0.7
59.01365	1.5
65.72419	0.9
71.01378	1.8
71.04999	0.8
71.32990	0.9
72.00912	1.1
74.02493	1.0
78.72313	0.7
83.05022	0.9
94.02988	1.9
97.03001	0.8
99.04525	4.7
101.02452	1.5
108.04562	100.0
109.04912	2.5
111.04518	1.8
124.87494	0.8
128.07190	19.7
134.03757	1.8
145.09830	13.4
147.95160	0.8
157.30936	0.8
161.04631	0.9
161.09763	1.9
178.12416	6.4
179.63345	0.8
193.05122	1.1
205.08647	1.1
219.10580	0.8
231.00014	1.1
237.12451	62.0
238.12825	4.9
260.64523	0.8
263.13699	0.9
291.01788	1.8
307.20279	74.8
308.20615	7.8
351.15100	1.5
351.19229	16.6
352.19324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Viridiol
Peak:m/z	Relative Intensity
66.83707	5.1
71.31541	7.0
72.25302	5.0
145.02916	5.8
207.08154	12.9
209.06001	7.6
223.07599	15.1
233.06155	6.6
234.06921	8.0
235.07651	13.5
250.06296	13.7
251.07140	83.7
262.06189	5.1
263.07159	33.2
264.07813	10.9
277.08667	9.1
279.06662	72.5
280.07104	6.9
294.08960	25.3
295.06097	31.7
295.08942	5.5
307.06104	16.2
310.08411	6.7
322.08414	33.9
323.05573	78.2
323.09113	8.9
324.05911	6.7
337.07166	18.5
338.08020	100.0
339.08243	8.9
353.10300	89.1
354.10675	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	353.2122
Annotation	Guayulin B
Peak:m/z	Relative Intensity
57.39817	0.3
71.34488	0.5
75.79517	0.3
79.95740	1.8
89.38613	0.3
95.95248	0.5
96.95389	0.5
96.96021	11.0
108.00066	0.3
122.97623	0.4
131.62148	0.3
147.08163	0.4
163.11301	86.5
164.11629	5.6
169.12411	1.0
177.09222	67.1
178.09567	4.3
194.05984	0.3
222.08893	0.7
312.78577	0.4
336.29904	0.3
353.21207	100.0
354.21570	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	354.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43637	1.0
54.15322	0.7
56.97953	0.7
57.32051	0.7
58.02983	1.6
59.01352	0.7
66.03490	0.7
67.01908	1.8
67.03020	0.9
69.04127	1.6
69.04539	5.8
70.02993	1.4
82.02986	7.7
82.06628	3.0
84.04572	1.1
94.02991	3.0
96.04554	1.0
96.95998	0.8
97.06586	0.9
98.02506	0.8
98.99168	0.8
100.07711	1.9
107.02493	2.1
109.04088	4.1
109.65726	0.7
110.02428	1.2
111.03290	0.7
111.09260	0.8
112.04079	3.1
123.03319	0.7
126.09270	3.3
127.05135	11.0
128.03555	2.7
129.10390	0.8
130.08746	100.0
131.09129	3.5
136.04063	1.8
136.11322	5.0
138.09299	0.8
141.10373	1.4
145.97543	0.8
161.02393	0.7
165.07961	1.0
168.09042	1.8
169.09862	1.8
175.04079	1.0
179.11862	4.0
180.10315	13.8
181.10648	1.1
182.15526	1.5
187.18668	0.7
195.07755	1.7
195.11386	1.9
197.12968	11.4
197.83017	0.7
198.13283	1.2
199.18185	8.1
209.16595	3.1
222.12469	2.3
223.10889	47.1
224.11215	2.7
225.16023	1.6
243.17151	1.7
253.14307	0.9
267.83722	0.6
292.20288	1.4
310.21335	13.0
339.08560	0.7
354.20325	88.9
355.20706	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01389	9.4
69.54454	2.0
69.54872	1.1
71.01391	4.9
85.02948	0.9
89.02441	4.6
90.43748	0.5
95.01451	0.5
101.02458	1.6
113.02460	2.4
117.03454	0.5
119.03506	1.1
120.90154	0.4
127.32777	0.5
132.02179	19.0
134.03751	9.4
147.04578	0.8
149.06111	1.5
160.01666	77.0
161.02025	3.6
174.03215	1.0
175.04013	100.0
176.04333	4.9
191.07077	2.3
193.05049	16.2
194.05370	1.3
202.02719	1.0
207.06546	0.9
217.05083	5.5
235.06111	2.4
265.07147	1.1
295.08197	1.6
355.10367	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42941	0.6
56.98386	0.5
59.01384	6.4
70.12264	1.6
71.01390	3.0
78.13977	0.6
85.02969	0.9
89.02459	2.7
98.75398	0.6
101.02443	1.5
113.02464	1.3
119.03497	1.1
132.02182	10.8
134.03777	5.1
134.30998	0.6
149.06047	1.5
160.01678	44.9
161.02007	2.0
175.04027	100.0
176.04355	6.4
184.82025	0.6
191.07135	1.6
193.03314	0.9
193.05072	18.5
194.05385	1.1
217.05048	6.7
235.06046	2.8
265.07309	1.2
295.08212	2.2
355.10553	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	355.104
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
50.91595	0.2
59.01374	0.4
69.56474	0.4
69.56883	1.0
71.01375	0.2
74.02505	0.4
89.73719	0.2
93.03449	0.3
96.96030	0.4
106.06641	2.6
109.02941	0.3
121.02943	1.3
130.08755	0.2
132.02223	0.4
133.02972	4.6
134.03766	5.8
137.02467	5.5
139.04024	2.1
145.02927	0.3
150.03239	0.6
150.05617	1.4
160.01665	1.2
161.02472	11.3
162.02814	0.6
164.07138	0.2
165.01884	0.2
175.03999	1.4
177.01724	0.2
178.02739	1.7
189.02003	0.2
193.05078	100.0
194.05479	5.3
236.05853	0.2
236.17787	0.2
257.12936	0.2
267.06638	0.5
268.26245	0.2
284.16132	0.6
311.05609	0.9
355.14194	0.4
356.10077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	1.0
58.50475	0.9
59.01365	4.1
65.04300	0.9
69.28288	8.2
71.01392	5.4
76.30449	0.9
78.07040	1.1
82.02987	1.1
83.84689	1.2
85.02939	1.8
93.03477	3.0
98.55732	1.0
101.02425	2.1
106.04253	3.8
106.17377	1.0
109.02966	6.3
110.65166	1.1
113.02447	2.1
114.05610	31.5
117.03504	1.1
119.67664	1.2
121.02964	4.2
125.02453	0.9
127.05120	1.2
130.08746	3.9
132.86067	0.9
133.02972	3.2
134.03754	94.5
135.04115	3.0
137.02444	5.0
139.04025	1.7
140.07173	2.9
141.07114	1.0
145.02991	1.1
146.08727	1.0
147.04555	1.5
148.01680	1.2
149.02457	2.5
149.06096	33.3
149.95941	1.0
150.06494	1.6
159.04512	2.9
160.01631	3.1
167.05005	2.1
169.06618	1.8
169.09787	2.1
175.04028	3.8
178.02722	17.6
180.05800	4.0
180.10298	4.4
181.06569	1.5
183.08147	4.5
183.14961	1.1
192.00624	2.9
193.01439	15.1
193.05063	100.0
193.06508	4.0
194.05443	5.4
195.04515	3.8
195.08095	4.9
196.05328	6.3
196.14569	3.1
197.06067	5.7
199.41002	1.0
201.26636	1.2
208.05295	3.6
209.06078	4.5
210.06845	1.9
211.07655	15.4
221.06123	8.2
222.06851	2.1
223.04073	2.4
223.07628	6.5
224.04828	10.6
225.05489	2.3
227.14023	1.3
235.06036	1.5
237.05714	2.3
238.06415	5.6
238.08574	1.1
239.07123	20.7
240.07530	2.6
240.13560	3.3
249.05640	3.6
250.06303	2.6
252.04179	2.2
257.19980	1.2
266.05884	3.2
267.06625	33.4
268.06964	2.5
279.23755	1.2
355.06857	2.3
355.16797	1.2
355.19971	10.2
356.18546	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	355.104
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.46814	0.4
69.89436	2.3
75.65557	0.4
94.32599	0.4
98.22486	0.6
105.18394	0.6
114.05651	0.6
120.16637	0.4
121.03088	0.6
122.77986	0.5
130.08798	0.9
133.03012	0.9
133.49690	0.5
134.03758	100.0
135.04091	4.3
137.02440	4.0
139.04036	1.1
149.06102	24.9
150.06476	1.2
178.02737	17.3
179.03128	1.0
193.05080	89.0
194.05437	5.2
195.63255	0.5
222.12485	0.6
226.73297	0.4
240.13681	0.5
248.26945	0.5
274.20187	0.6
355.10400	0.5
355.19693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
50.99595	0.2
57.03444	0.2
59.01369	1.1
69.54916	0.9
69.55319	0.4
69.98421	0.2
70.34870	0.2
71.01379	0.6
73.21347	0.2
81.03448	0.2
83.05025	0.7
89.02432	0.2
93.03460	0.3
101.02460	0.3
102.53788	0.2
106.06631	10.0
108.08181	0.4
119.05038	0.5
119.33959	0.2
120.05320	0.3
121.02959	1.0
129.10333	0.5
130.08749	5.0
131.07169	0.2
131.74300	0.2
132.02179	0.7
133.02971	4.7
134.03754	5.8
135.04613	0.4
137.02446	5.5
137.09692	0.2
139.04039	1.4
149.02454	0.2
150.03207	0.7
150.05614	7.4
157.08728	0.6
160.01668	4.6
160.02980	0.2
161.02451	10.4
162.02817	0.4
163.04033	0.9
164.04422	0.2
164.07155	1.0
175.04013	6.6
176.04446	0.4
177.01915	0.3
178.02751	1.3
179.03471	0.4
192.04301	0.7
192.06645	0.9
193.05067	100.0
194.05563	5.2
197.16556	0.3
199.09819	0.3
199.18161	1.0
217.05035	0.4
225.16133	0.6
236.05714	0.4
267.06644	0.2
284.87601	0.2
312.26602	0.7
315.07175	0.2
355.10349	5.7
355.13705	0.3
355.22705	0.2
356.10083	1.0
356.20926	0.5
356.25452	4.5
370.21152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2282
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.55767	1.8
60.44188	2.0
71.22877	3.0
82.12138	1.7
85.02953	3.0
99.96233	1.6
109.02966	3.5
116.04766	2.1
122.03772	14.7
135.04521	32.0
136.01688	3.4
147.08147	2.5
149.06126	2.1
149.09714	11.3
151.07689	2.5
154.02730	2.7
161.09772	9.5
163.07661	5.1
163.11301	63.0
164.08424	21.4
164.11577	4.3
165.09233	11.2
168.75743	2.0
171.08330	2.3
177.09221	81.5
178.09975	29.9
179.10794	90.2
180.11115	5.4
183.10204	2.9
187.11331	2.3
191.10834	18.1
191.50864	1.8
193.08696	13.8
216.83194	1.8
280.14807	3.8
298.15759	55.2
299.16083	5.3
307.17023	2.5
319.58572	2.0
322.19644	2.1
337.21732	54.4
338.22131	5.4
340.20444	86.0
341.20816	11.1
355.22803	100.0
356.18881	3.7
356.23221	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	356.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51332	0.5
57.03442	0.8
58.00580	0.6
59.01370	2.4
66.03510	0.6
69.40356	3.7
71.01378	1.3
74.02477	0.6
77.93911	0.5
80.05074	1.0
81.07081	0.5
82.30927	0.5
83.05027	3.1
85.02950	1.3
89.02453	0.8
97.06581	0.8
105.32450	0.5
106.06632	100.0
107.06972	3.9
109.02982	1.4
110.97939	0.5
113.02450	2.5
113.06178	0.6
114.09264	0.7
118.06621	3.6
119.05041	2.3
120.08183	0.5
129.10365	6.4
130.06203	2.1
130.08749	63.4
131.09100	1.1
133.03004	0.7
134.03735	1.8
135.04550	1.0
137.02383	1.0
139.07693	1.2
139.08713	0.9
143.11989	0.8
144.74257	0.5
145.05031	0.7
146.06108	1.4
147.04555	1.1
149.06102	0.6
150.05614	70.1
151.05919	2.8
157.08714	2.7
159.04553	0.9
160.01695	2.1
161.02251	1.9
162.02837	1.0
162.05638	0.7
164.07173	12.0
175.04015	1.8
176.04437	2.8
177.01927	0.7
182.15591	0.7
192.06656	8.4
193.05069	8.7
193.06834	1.1
194.04707	9.0
194.05305	8.7
195.05478	0.8
195.15024	2.8
197.16623	2.4
199.09824	1.5
199.18161	11.4
200.18454	0.7
203.36177	0.6
223.17014	1.4
225.16078	9.1
229.14513	1.0
236.05687	1.3
242.14017	0.6
242.18810	0.6
243.14227	0.5
243.17059	0.9
251.07182	0.5
253.08760	0.6
269.08167	0.8
287.18491	1.0
296.07758	1.1
312.26575	9.0
313.10678	2.0
313.26801	0.7
356.10196	4.4
356.25507	56.6
357.06003	0.7
357.09808	2.8
357.21750	0.9
357.25778	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	356.2444
Annotation	(9Z)-3-hydroxydodecenoylcarnitine
Peak:m/z	Relative Intensity
56.86732	2.4
59.01366	3.8
61.98838	2.5
63.66296	2.0
69.11446	22.0
84.04574	5.7
87.80966	2.6
102.05619	75.2
105.12139	2.5
119.83765	2.8
121.02966	3.1
128.03555	100.0
129.03844	5.1
146.04619	9.7
177.01981	2.4
226.21750	6.4
227.20181	60.1
228.20288	3.7
266.25037	3.1
268.26431	12.9
312.25348	16.2
338.23590	12.9
356.24451	79.3
357.24631	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	356.256
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
50.54641	0.4
59.17661	0.3
66.03494	1.1
69.44859	1.9
72.94569	0.3
80.05054	0.6
81.07088	0.4
82.06622	3.7
84.08174	0.8
88.36897	0.3
96.00930	1.1
97.06596	1.1
98.02445	0.7
98.21793	0.5
100.07721	0.3
106.06648	0.7
109.02980	0.8
112.07695	1.1
114.09229	0.6
128.07256	0.4
129.10353	17.0
130.08746	100.0
131.08372	0.4
131.09120	3.3
134.03781	0.3
135.04538	0.4
137.06160	0.3
138.08003	0.8
138.09239	0.4
139.08783	3.2
141.10385	0.5
147.04601	0.4
150.05569	0.6
157.71065	0.3
159.04529	0.7
161.02478	0.5
162.77626	0.3
164.14412	0.4
164.73996	0.3
175.56010	0.3
177.02031	0.6
182.15494	3.5
193.05119	2.1
194.05461	2.2
195.15041	3.3
197.16599	5.1
199.18166	26.2
200.18538	1.6
208.13457	0.4
224.96275	0.3
225.16090	17.1
226.16422	0.9
227.17502	0.3
242.18816	0.8
243.17146	1.9
260.12854	0.5
267.84286	0.4
267.89209	0.3
308.34149	0.4
312.26572	12.5
313.10931	0.3
313.26852	1.3
356.25555	78.8
357.09985	0.4
357.14618	0.6
357.25888	9.9
362.29129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05138	0.7
59.01374	2.2
65.00222	0.6
68.79344	0.7
71.01372	2.7
80.05045	0.7
83.05032	3.5
85.02954	0.8
89.02437	0.7
91.95990	0.6
97.58785	0.7
104.05081	1.0
106.06631	100.0
107.06976	5.8
109.02953	2.3
112.40869	0.7
113.02441	2.2
113.03587	0.9
114.09300	0.9
118.06657	3.7
119.05033	3.7
121.02940	0.8
129.10356	7.4
130.06226	2.2
130.08748	82.2
131.07114	1.2
131.09103	1.9
134.03754	3.6
135.04529	2.5
139.07710	1.1
139.08740	1.4
140.07132	1.0
143.11949	0.8
145.04980	0.8
146.06068	1.2
147.04526	1.4
149.06065	0.7
150.05612	79.3
151.06024	4.4
154.33453	0.7
157.08704	2.4
159.04521	1.5
161.02153	1.3
164.07159	13.2
165.07471	0.7
175.03973	2.0
176.04384	2.2
178.56190	0.7
192.06647	9.0
193.05075	4.2
193.06889	1.3
194.04466	11.3
195.04930	0.8
195.15009	2.8
197.16653	3.4
199.09769	0.9
199.18167	16.1
223.16898	0.9
225.16084	11.0
228.75113	0.9
236.05756	1.3
242.18668	0.8
243.17081	0.9
251.07259	0.9
253.08910	0.8
269.08310	1.3
284.65683	0.8
287.18533	1.2
312.26532	11.1
313.10803	2.6
327.08521	0.9
356.09988	4.2
356.25558	61.1
357.09885	9.0
357.21692	1.5
357.25729	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	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82808	0.3
58.00593	0.6
59.01387	6.6
70.21722	0.8
70.22119	0.7
71.01040	0.4
71.01393	2.9
77.03966	0.9
77.60587	0.3
80.93120	0.3
88.96847	0.3
89.02457	1.1
93.03452	2.2
95.05054	0.4
96.76498	0.3
101.02454	1.3
105.03452	1.3
113.02464	0.8
119.03511	0.5
121.02971	1.2
122.11458	0.3
123.04501	0.7
131.01321	0.4
132.02203	0.6
133.02963	1.0
149.02454	23.3
150.02835	0.6
151.04021	4.0
166.83499	0.3
177.01942	100.0
178.02299	5.5
182.57957	0.4
195.03001	7.4
208.94717	0.4
219.02995	1.3
246.12627	0.4
267.05081	0.7
297.06189	1.4
357.08279	17.1
358.08716	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	357.0982
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.31364	0.8
54.83850	0.9
62.94563	0.9
68.76443	1.1
70.02979	1.0
71.01370	1.6
71.32750	0.9
71.33195	1.5
73.04044	1.0
81.02214	1.2
82.06635	1.3
89.79230	1.0
91.01907	2.6
92.29564	1.1
93.03454	6.4
96.00934	4.2
96.99317	4.7
98.02485	7.7
101.02474	1.0
106.06629	3.4
107.06977	2.2
109.02962	4.2
112.04089	1.0
112.05132	0.9
113.03609	3.4
115.67099	0.9
117.03493	2.1
119.05043	33.3
120.05416	1.7
121.02977	1.6
123.04546	6.2
130.06226	13.4
130.08752	17.6
132.05850	2.6
133.02969	2.3
134.03757	37.8
135.04556	16.2
137.02557	1.1
138.09259	4.5
139.08760	1.5
140.07130	1.7
143.05043	7.8
145.02971	3.2
146.03770	4.0
147.04521	3.8
148.05313	1.9
149.06090	6.9
150.05569	1.5
151.05998	2.2
155.04990	0.9
158.03746	3.0
159.04518	9.4
160.01689	1.2
161.06087	3.2
163.04010	9.2
166.08778	5.8
166.09952	0.9
173.06035	2.1
175.04065	0.9
177.01958	3.5
177.04405	1.1
178.02647	1.2
181.99763	1.0
183.04488	2.3
187.04063	1.1
193.05025	5.0
198.13927	0.9
199.18179	2.7
211.07690	2.5
211.14667	2.5
225.16127	2.3
226.06317	2.3
227.07126	1.5
235.07774	1.1
235.18138	1.7
241.08734	2.5
242.18764	1.5
243.17191	1.1
248.22327	1.0
250.06320	1.6
251.07141	14.1
252.07927	6.0
253.08696	8.9
254.09442	6.0
261.16034	1.4
263.07324	1.1
267.10358	1.4
269.08459	1.6
269.11829	1.0
279.06708	5.6
280.07425	10.5
281.07892	1.2
295.09796	9.0
313.10809	18.7
314.11221	1.6
323.16150	26.0
324.06256	1.6
339.08817	5.1
340.18848	8.0
356.25128	1.3
357.09830	100.0
357.25186	2.6
358.10168	10.1
358.19965	2.2
358.25912	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	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01380	17.7
70.60052	2.6
71.01369	1.7
74.02520	1.0
88.04072	1.1
88.26510	1.0
106.21806	1.0
108.02202	1.4
119.05013	2.3
121.02907	1.2
123.04539	2.9
124.01666	1.4
130.08754	2.6
135.04523	8.0
136.05309	10.6
151.04037	3.0
151.07629	2.4
162.03244	1.9
166.08781	1.3
177.05544	3.0
185.16583	1.0
195.06635	100.0
196.07014	5.9
317.52637	1.0
357.21130	1.3
358.19720	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	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
54.35680	0.2
55.55934	0.2
69.03468	0.4
69.31904	1.8
72.81791	0.3
84.02168	0.2
85.02949	0.4
85.34882	0.3
93.03475	1.7
97.02990	0.3
98.21732	0.3
108.02188	2.1
109.02990	0.6
121.02974	8.8
122.03777	2.9
123.00906	0.6
124.01660	0.9
125.19678	0.2
134.03754	1.1
135.04564	0.5
136.01674	79.3
137.02347	3.1
143.82500	0.3
145.06621	0.3
149.06122	0.3
151.04018	100.0
152.04352	4.1
152.07092	0.3
154.02716	0.7
159.04488	0.6
160.05286	1.2
161.02400	0.4
162.03291	1.2
163.04066	1.2
164.04753	0.3
175.04031	0.5
175.07648	1.5
176.04793	0.7
177.05559	1.0
179.03473	0.5
187.04018	0.5
188.04884	0.4
189.05646	0.6
190.06291	0.3
203.07236	0.4
241.04982	0.3
259.42908	0.3
277.21582	0.3
283.63422	0.2
311.12784	0.7
342.11163	4.4
343.11411	0.6
346.94592	0.3
357.13452	17.3
358.13828	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2146
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
57.10206	0.9
58.02966	1.8
59.01395	7.0
66.33694	1.0
69.55445	4.1
69.55859	2.8
70.02983	24.8
71.01374	4.9
71.02483	1.3
73.02921	1.4
77.03957	1.3
82.06620	1.9
85.02946	2.2
85.65392	1.0
87.05639	2.5
88.04060	2.1
89.02446	3.2
93.03449	1.3
95.02525	1.9
95.05026	1.8
95.79610	1.1
96.00926	49.4
101.02435	2.2
105.03472	10.7
107.05051	1.8
109.02959	9.8
112.07711	1.2
113.02438	1.3
113.03593	10.2
114.01987	66.3
115.02346	1.6
116.07198	2.1
119.03510	1.2
121.02994	3.4
123.04518	5.0
125.85914	1.2
128.03474	1.2
129.09433	1.9
129.10355	28.6
130.08714	4.7
131.04646	30.8
131.08257	1.4
133.01961	1.2
133.02968	21.7
134.02472	5.6
134.03349	1.6
135.04428	2.3
135.13014	1.1
139.08818	2.3
147.04524	2.7
149.02457	4.3
150.06862	1.1
151.04053	5.8
159.04533	9.6
161.02371	1.2
161.06032	1.4
163.03967	1.3
177.01944	65.5
178.02283	4.4
187.04117	1.3
188.61253	1.1
194.16869	1.5
195.02963	6.2
195.15021	3.4
197.16624	3.6
203.03532	4.4
224.17749	3.2
225.16130	6.5
226.16051	1.4
242.18761	100.0
243.19147	6.5
251.07158	1.2
255.06578	2.4
269.08139	4.7
339.20322	4.5
357.08206	4.8
357.21454	82.1
358.21915	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	358.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22412	2.1
59.01385	38.7
66.03485	2.0
67.74422	1.8
71.01385	10.5
71.16457	3.5
89.02449	15.2
90.03506	2.3
101.02471	6.3
108.02185	4.0
108.04553	2.4
109.02950	11.0
113.02419	3.9
119.03533	6.6
123.04507	5.0
125.02463	100.0
133.02980	2.2
134.02504	39.7
134.03540	2.6
135.04539	38.6
148.11443	2.1
149.02399	2.8
149.06105	6.9
152.03500	12.1
153.04027	1.7
153.05498	2.0
161.02486	3.2
161.06133	4.3
174.99277	3.1
179.03522	9.7
187.69629	2.0
196.53377	1.8
201.02625	5.6
215.14697	1.9
217.00368	20.9
233.29951	1.9
242.05804	10.7
271.09863	21.5
314.08759	3.0
359.07867	3.3
371.49240	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	358.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.3
60.15294	5.5
61.92437	5.2
70.13058	19.4
71.01373	13.4
73.04067	6.0
78.95905	6.4
87.05627	5.4
89.02470	14.6
101.02453	8.4
113.03592	7.9
119.03474	5.7
125.01543	5.9
125.02451	100.0
131.04614	4.7
134.02515	21.5
152.03532	10.0
164.07112	5.9
170.88327	6.4
179.03383	5.3
186.12447	11.9
217.00406	5.8
266.66379	5.2
285.84625	5.6
358.17001	24.0
359.18729	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	358.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.3
59.49792	1.8
69.52499	11.7
71.01398	12.2
72.93421	1.7
72.99290	2.1
73.05384	2.0
81.03462	2.9
84.93687	1.7
85.82875	1.6
88.15122	1.7
89.02463	18.9
98.98881	1.9
99.04537	2.5
101.01869	1.9
101.02409	8.8
108.04577	5.8
113.02467	6.4
119.03549	11.3
123.04534	2.6
125.02462	100.0
126.02868	2.3
133.01448	3.5
134.02501	49.5
135.02855	2.5
135.04536	8.5
143.03554	3.8
149.02469	2.5
150.02896	2.4
152.03529	15.3
174.22765	2.0
175.21838	1.9
177.01958	10.5
178.02252	13.2
179.05582	2.9
187.02515	3.3
188.89606	1.9
203.42497	2.1
239.84698	1.7
254.98254	4.6
285.90839	1.8
314.08844	5.6
358.08682	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	358.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65133	0.3
56.05653	0.3
57.31902	0.4
58.02985	0.3
59.01387	5.4
64.15647	0.4
70.02985	1.3
70.88284	0.4
70.88605	0.4
71.01392	14.7
71.03330	0.3
72.99328	0.5
74.02483	1.1
80.23839	0.3
81.03474	0.5
82.02991	0.4
85.02972	1.0
87.05646	0.4
88.04053	10.7
88.04597	0.7
88.49761	0.3
88.99757	0.3
89.02447	2.6
91.05553	0.4
93.03471	1.8
95.01426	0.4
95.05025	0.6
96.00929	1.8
97.01289	0.7
98.02502	0.8
99.00892	0.5
101.02435	1.6
105.03498	0.6
105.07104	0.4
107.05051	1.5
108.02187	19.6
108.04552	0.4
109.02964	53.6
110.03302	0.5
113.02458	1.3
113.03559	0.6
114.01991	2.7
115.00390	18.6
115.08819	0.6
116.07226	0.7
117.03494	0.5
119.03533	0.7
119.05032	1.0
120.01272	2.4
121.02975	9.4
121.06614	0.9
122.03793	2.6
122.19793	0.3
123.00893	0.4
123.04534	7.0
124.01676	1.1
125.02454	0.6
127.05135	0.5
128.03575	4.4
129.10364	4.6
130.08720	1.5
130.09613	0.3
130.10695	0.5
131.04680	1.3
132.02208	0.4
132.03058	3.3
132.04993	0.4
133.02977	4.8
134.02786	0.5
134.03777	4.1
135.04541	78.3
137.02451	0.9
143.05057	0.6
145.02913	0.6
146.03757	2.0
147.04553	3.7
148.05331	4.7
149.06100	23.6
151.03986	1.3
152.04341	0.7
153.05646	0.6
154.02808	0.5
157.13484	0.7
159.04546	1.7
160.04941	0.5
161.06097	24.8
162.06831	1.1
163.07684	3.5
166.08801	0.4
169.06622	0.5
172.05283	0.5
173.06088	0.8
175.03958	1.4
176.04739	1.3
177.01938	0.5
177.05536	1.6
178.02345	0.7
179.03514	31.0
180.04300	0.4
181.01538	0.5
185.06136	1.6
185.11774	0.6
187.07666	0.8
188.16896	0.3
192.03925	0.7
193.05063	1.2
195.02943	1.0
195.06631	0.9
195.15019	0.6
196.03351	1.0
196.05270	0.7
196.06981	0.5
197.04536	1.8
197.06136	1.2
197.16580	0.8
199.03883	0.6
199.07504	0.5
199.18037	0.6
204.03964	0.4
205.05052	3.3
212.04845	0.4
213.05597	4.9
214.06367	0.5
215.07132	1.1
224.04752	0.6
224.11412	0.4
224.17630	1.0
225.05524	2.2
225.09167	0.8
225.16090	2.0
226.06371	4.2
237.05527	0.5
239.05612	1.4
241.05103	6.9
242.05867	59.3
242.18759	20.4
243.06628	28.2
243.17079	4.8
243.19067	3.2
244.17467	0.4
253.08679	1.9
255.06569	2.5
268.07138	0.5
268.20233	0.4
269.08133	2.0
269.11090	0.6
270.08661	1.7
270.21902	0.4
271.09778	100.0
314.20822	4.2
315.08871	1.8
315.21118	0.4
327.10867	0.9
358.19717	20.5
359.07477	15.0
359.19943	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	358.1988
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
50.04415	1.4
53.23043	1.5
55.69751	1.4
58.61564	1.4
59.01358	2.7
70.12067	2.8
70.12415	4.5
71.01391	18.3
74.02485	1.8
82.06600	2.8
88.04052	24.9
99.06401	1.6
101.07178	2.0
109.02966	11.5
112.07703	1.8
115.00391	26.6
116.07193	28.5
117.03371	1.4
117.07507	1.7
121.06578	1.7
127.05108	2.4
129.09549	1.5
129.10352	14.2
130.08769	14.4
131.09047	5.3
132.03058	11.0
134.02509	1.3
134.03685	3.8
135.04543	100.0
139.08812	2.0
140.07173	3.0
145.06180	3.2
149.05078	1.6
149.06088	21.1
150.35811	1.3
157.13394	4.1
161.06134	11.3
163.07600	1.8
166.08664	4.2
179.03531	43.0
180.10336	11.1
185.16533	6.4
186.16898	5.1
197.16432	2.3
199.18059	3.8
205.05008	2.2
223.10832	3.9
224.09227	1.6
224.17650	3.3
225.15953	5.4
229.15416	2.9
241.11665	1.6
242.05734	2.3
242.18744	55.7
243.17068	26.8
243.19020	2.6
244.17372	1.7
255.06517	4.4
270.21744	2.3
271.09869	8.7
296.19638	2.3
310.76025	1.8
312.79453	1.5
314.20804	8.7
340.18826	9.6
358.19705	74.0
359.20169	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	358.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.7
69.08670	6.2
69.09081	7.6
70.02995	3.4
71.01389	2.5
72.97955	1.3
73.04069	7.1
73.67262	1.2
74.02478	5.5
74.04405	1.3
81.02210	9.3
82.02991	3.2
82.06609	1.4
87.05634	3.2
93.03457	1.2
96.00938	14.0
97.01198	1.5
98.02495	21.1
108.52395	1.2
109.01714	29.7
109.02966	4.3
110.08046	1.2
112.07702	1.7
113.03609	9.4
114.02001	3.7
121.02953	2.7
123.04548	3.8
129.10365	31.2
130.08755	91.0
131.04607	2.1
131.09123	12.9
134.03709	1.7
135.04572	7.3
138.09250	19.2
140.07198	8.5
143.11931	5.3
144.12271	3.6
149.06099	8.9
153.10403	1.8
155.11975	2.4
163.08702	1.5
164.09618	1.9
166.08752	40.4
167.09148	2.9
168.08855	1.7
168.10245	1.9
178.11092	2.7
179.03520	4.9
183.11380	2.2
197.16591	1.9
199.18202	8.5
200.18500	4.4
204.09094	2.1
209.09430	3.8
210.07744	27.1
210.09581	1.5
225.16100	5.4
226.12096	2.5
227.10394	3.8
233.16714	3.0
235.18222	8.2
243.17169	11.4
244.17477	2.9
256.20245	1.6
257.20578	6.1
261.16040	5.1
271.09933	7.4
276.61414	1.3
277.15714	2.7
279.17142	5.3
283.92444	1.6
314.22787	2.0
315.09009	1.9
315.13416	1.6
323.16150	100.0
324.16483	13.3
340.18802	45.0
341.18863	8.4
358.10129	3.2
358.15131	2.7
358.22107	32.7
359.17197	2.6
359.21988	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	358.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01878	0.8
59.01364	1.4
69.46113	5.5
69.76475	1.0
70.02980	3.4
71.01381	2.0
71.30743	0.9
73.04066	2.9
74.02470	1.4
77.35725	1.0
81.02187	4.4
82.03001	2.4
85.02957	1.4
87.05617	1.7
96.00936	8.4
98.02484	17.0
98.22536	1.3
101.02408	1.3
109.01704	3.0
111.03285	1.1
113.03578	7.3
114.01937	3.1
122.09731	1.6
123.09286	1.3
129.10384	2.6
130.08746	84.9
131.04602	1.7
131.09073	3.7
135.04535	8.7
138.09258	21.4
139.08817	2.6
140.07159	5.7
143.11893	1.3
149.06113	1.8
152.07123	1.8
153.10353	1.1
156.06711	1.2
161.03577	2.2
163.08833	1.4
164.09520	1.5
165.10345	2.6
166.08733	38.2
167.09120	1.5
168.09024	1.7
168.10313	2.6
179.03470	6.2
183.11383	1.0
184.15898	1.0
194.08191	0.9
197.16493	1.6
199.18172	6.5
204.09042	3.3
209.09390	1.5
210.07733	2.3
225.16071	7.8
227.10356	3.2
233.16692	5.2
235.18242	9.0
236.18588	1.6
243.17130	9.7
253.19193	2.0
261.16116	9.6
262.15921	1.0
271.09641	1.4
279.17191	9.9
297.18188	1.4
323.16113	100.0
324.16479	9.8
340.18784	41.6
341.17279	3.4
358.19516	16.4
358.96716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1986
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
57.83482	1.8
59.01371	6.0
66.63897	2.0
69.02670	8.8
69.03092	10.5
81.02199	2.9
82.06646	3.3
87.05670	2.2
96.00906	13.2
98.02479	24.6
113.03542	9.0
130.08752	61.9
131.09218	1.8
132.24399	1.7
137.41238	1.7
138.09265	22.4
139.08768	5.9
140.07245	3.9
146.43768	2.2
164.09659	2.1
165.10316	2.0
166.08749	29.2
204.09119	2.4
209.09145	2.0
217.00328	4.5
225.16156	7.0
233.16490	3.7
235.18193	9.4
236.11702	2.8
243.17139	6.1
261.16168	8.9
272.72369	2.3
279.17142	8.6
323.16138	100.0
324.16455	8.1
340.18787	31.4
341.19000	2.6
358.19824	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	358.26
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
52.77219	0.4
57.03446	1.7
58.00587	2.2
59.01368	0.9
70.37313	1.7
71.01391	0.9
72.02167	0.9
73.02953	2.9
82.58678	0.6
83.05035	1.1
93.03447	0.5
99.04541	1.5
101.06070	0.7
109.06553	0.7
127.07672	1.0
130.08691	0.6
134.02448	0.6
135.04524	0.7
139.11267	1.7
144.10292	1.3
155.14473	1.1
178.37659	0.5
183.13875	0.6
185.11818	1.2
199.13408	8.2
211.13376	8.3
212.13586	0.6
225.18587	0.8
227.16498	0.9
237.15071	0.8
239.16565	1.0
251.16568	1.0
277.18088	1.4
283.15475	0.5
287.18600	1.1
312.25745	1.2
313.20230	2.1
314.20779	0.6
315.13202	1.0
340.24878	4.4
358.26004	100.0
359.21036	1.0
359.26361	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	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	90.9
60.01720	1.1
61.98812	1.1
69.34351	4.1
72.99313	0.5
73.02949	1.2
90.70690	0.5
90.97153	1.1
102.58313	0.6
112.03247	0.6
117.00492	1.1
132.98227	2.1
156.99934	1.5
157.03584	2.4
159.01486	2.8
161.38586	0.7
164.92845	0.6
174.99248	21.8
175.02510	1.5
175.99599	0.8
198.99614	1.1
201.02554	25.1
202.02779	2.0
215.95985	1.2
217.00314	100.0
217.03690	2.9
218.00650	3.0
232.98502	1.9
273.01663	1.7
274.99600	6.3
275.99774	1.3
277.53802	0.7
291.06018	0.6
315.02716	0.7
317.00711	10.9
318.00659	2.5
352.03094	0.7
359.01694	20.7
360.01755	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	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	86.4
65.06572	0.7
65.94660	0.7
71.01389	1.4
71.30878	1.1
72.99316	1.3
74.02473	1.1
74.24609	0.8
78.95904	1.5
83.31322	0.8
87.00870	0.8
87.05653	1.4
90.97162	1.1
92.70284	0.9
99.05568	0.9
128.03546	1.1
130.08765	11.5
131.08244	1.2
132.98222	2.4
135.04530	3.6
145.09828	2.3
157.03596	2.3
159.01509	2.0
173.01234	1.0
174.97734	1.2
174.99260	20.5
201.00862	1.8
201.02560	21.9
202.02716	1.2
217.00317	100.0
218.00656	3.6
274.06198	0.9
298.99213	1.1
315.20563	1.1
317.45386	1.1
330.18567	0.8
359.01428	3.2
359.15393	6.2
359.19000	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	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03212	1.0
59.01345	1.0
69.36373	6.8
70.02572	0.9
71.01363	1.1
74.02478	1.5
77.69265	1.0
81.10739	1.2
81.95872	1.0
93.03489	1.4
94.88351	0.9
95.05033	3.2
105.07098	1.8
106.04263	1.8
107.05062	2.9
109.01789	1.2
109.02956	18.2
116.07195	3.8
119.05009	1.6
121.02962	18.6
121.06590	11.7
122.03722	1.8
123.04533	34.5
129.10367	3.3
130.08743	1.7
134.03767	5.7
135.04535	20.3
136.04909	1.1
147.04514	5.9
148.05319	6.5
149.06093	100.0
150.06438	3.5
156.16557	1.0
161.06111	1.0
175.04004	6.0
179.03514	7.6
193.05072	11.7
194.05423	1.0
228.37653	1.0
237.04028	9.0
253.08675	1.9
271.09772	67.3
272.10031	5.9
273.19653	1.0
277.15616	2.4
315.08789	7.5
316.09113	1.8
359.07800	10.5
359.17023	1.6
359.20880	2.2
360.19443	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44164	4.1
69.90261	0.7
69.98745	0.7
71.01388	4.7
73.41845	0.7
98.22483	1.7
108.02183	19.0
109.02964	52.5
110.03318	1.6
115.00381	7.7
115.77009	0.8
119.05013	0.8
121.02988	5.7
121.06651	1.1
122.03755	2.1
123.04536	5.2
124.01682	1.3
131.05112	1.1
133.02982	3.8
134.03773	1.2
135.04539	25.5
146.03732	1.1
146.93019	0.7
147.04573	2.7
148.05370	4.0
149.06090	12.9
161.06084	18.9
162.06790	2.5
162.34048	0.7
163.07597	3.6
167.01324	0.7
175.03934	1.0
176.04776	1.3
177.05608	1.0
179.03514	10.1
185.06195	1.2
186.06966	0.8
196.05324	0.8
205.05142	1.1
213.05585	4.4
225.05559	0.8
226.06413	1.9
228.24342	0.8
241.05084	6.1
242.05870	58.0
243.06503	15.7
244.06891	1.1
253.08646	1.6
255.06651	0.9
256.07700	0.8
261.15146	0.8
269.08304	1.6
271.09781	100.0
272.10062	8.5
315.08655	1.0
315.63486	0.8
359.07712	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	359.0776
Annotation	Rosmarinic acid (racemate)
Peak:m/z	Relative Intensity
69.57023	3.3
71.16368	0.6
107.05061	1.6
108.02184	0.6
109.02968	8.8
118.08475	0.6
126.41599	0.6
128.68234	0.5
130.33522	0.5
134.03751	3.4
135.04538	100.0
136.04849	3.5
137.02350	0.5
148.05302	0.7
149.04897	1.1
149.06097	23.3
150.06406	0.7
161.06082	5.1
179.03513	46.8
180.03850	2.2
205.05025	0.7
242.05815	1.1
242.56786	0.5
255.06519	3.9
271.09824	4.4
299.54437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0776
Annotation	Rosmarinic acid (racemate)
Peak:m/z	Relative Intensity
55.72341	0.5
59.01366	0.7
65.77821	0.5
69.29099	1.0
69.29497	3.3
70.02975	0.8
81.02206	1.3
82.06694	0.6
83.01417	0.5
96.00919	2.2
96.01476	0.4
97.01212	0.6
97.64080	0.4
98.02489	6.0
98.22624	0.5
99.02839	0.8
104.01685	0.4
107.05019	1.7
108.08221	0.8
109.01736	0.7
113.03591	1.1
114.01984	0.6
130.08748	15.1
131.09091	3.3
134.03746	3.7
135.04535	100.0
136.04869	3.9
138.09264	4.7
139.08701	1.2
139.09616	1.5
149.06172	0.7
153.09270	0.8
166.08716	4.8
167.09105	2.8
178.80017	0.5
179.03508	72.1
180.03885	3.2
186.23404	0.6
197.08183	0.7
199.18120	0.8
225.16093	1.0
226.16447	0.9
235.18204	0.7
236.18611	1.6
243.17233	1.2
244.17802	0.7
259.76797	0.5
261.15964	0.7
262.16394	1.1
271.09802	0.7
279.17273	0.7
280.17545	0.7
305.14642	0.6
315.08676	0.8
323.16129	11.6
324.16464	16.0
325.16577	0.6
340.18909	4.9
341.19147	7.2
358.19754	1.1
359.07663	0.7
359.20135	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	359.1502
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.70046	0.6
52.88769	0.4
59.01385	4.5
65.05389	0.4
69.31544	3.2
70.76011	0.4
71.01380	0.7
74.02489	1.1
82.29552	0.4
84.08167	0.5
90.97130	1.5
99.97170	0.6
102.77189	0.5
108.02191	2.0
109.02962	7.5
115.00388	1.1
115.98620	0.5
121.02966	0.9
123.04576	1.0
130.08751	100.0
131.09100	3.0
133.02959	1.1
134.03784	0.8
135.04536	19.7
136.04890	0.6
137.02458	3.1
145.09853	0.5
147.04555	0.5
149.06116	4.5
155.23907	0.5
161.02466	0.8
161.06091	2.3
177.05544	0.8
179.03505	6.5
203.03517	0.8
204.05548	0.5
213.05571	1.3
217.00284	2.5
227.97772	0.7
230.03499	0.7
242.05887	6.2
243.06578	2.8
244.04955	1.0
246.06506	0.8
271.09808	11.3
272.10123	1.2
315.12302	0.6
315.20361	1.1
359.15021	91.0
360.15329	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24225	1.9
59.01385	20.9
69.56772	10.3
69.57177	4.7
83.65487	2.1
89.58657	2.1
136.65784	2.3
148.87166	2.1
277.21744	100.0
278.21976	11.9
280.59146	2.1
359.22046	13.4
360.22910	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	360.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	9.6
63.09694	2.2
70.02955	2.5
71.01369	10.3
71.31696	2.7
72.00899	4.7
72.99320	4.9
73.04087	15.3
74.02112	3.4
74.02486	38.0
78.95917	16.8
82.02993	5.0
82.06632	2.8
83.02520	4.2
84.04548	11.6
88.04034	3.7
89.02455	4.4
96.00896	2.7
100.04058	4.2
101.02457	2.3
101.07207	9.1
102.05625	33.3
108.02190	11.2
109.01757	2.5
109.03003	30.9
110.02604	2.7
110.03297	14.7
113.03551	2.1
115.00391	10.4
115.08759	2.4
118.05118	23.7
119.03427	3.2
121.02988	4.5
123.03301	2.2
123.04475	7.3
124.04024	5.2
125.02454	6.3
126.02834	2.1
127.05091	4.5
128.03561	84.3
129.10347	6.4
130.08771	19.8
134.02480	6.9
134.03709	3.6
134.04750	7.1
135.04550	55.1
136.03142	2.4
136.04880	49.9
136.11345	3.5
139.08806	5.4
140.07205	5.3
141.06689	14.5
141.10367	6.2
143.11925	16.6
145.06223	4.6
146.04631	26.4
147.04489	3.6
149.06107	13.5
150.06436	18.8
152.10776	2.2
152.91821	11.9
153.10312	7.6
155.11867	2.6
161.06085	6.9
162.06409	9.6
164.06998	3.4
165.10262	2.4
166.08717	2.3
169.09837	14.0
169.13449	5.1
171.15071	11.0
174.99245	3.1
177.01926	4.2
178.02383	3.2
179.03566	27.5
179.11928	3.5
180.02702	3.0
180.03900	24.0
180.10321	26.8
185.05690	2.6
185.16814	2.4
186.12427	6.1
187.10913	26.4
193.13362	5.2
194.92752	4.8
197.04472	3.1
197.09309	2.8
197.12953	8.0
198.04886	5.3
200.13950	3.6
202.98720	2.8
207.92328	6.8
209.09300	2.7
223.10849	10.4
224.09340	3.0
226.11938	3.5
227.06606	2.7
227.10379	4.2
228.17091	5.1
231.13501	18.9
236.13905	3.4
237.12605	3.8
241.11986	6.4
242.05737	11.7
243.06229	41.5
244.07074	13.0
254.14993	6.9
256.06824	4.2
257.07736	2.3
259.12888	6.4
271.09760	11.4
272.10120	69.9
272.16119	6.6
273.10538	4.9
283.40228	2.3
298.14154	24.7
298.17523	3.9
299.14413	2.7
299.98657	8.9
316.15051	49.9
317.15469	3.2
317.99460	3.7
331.16141	5.7
342.00491	4.5
342.12201	3.7
342.16943	2.4
360.08167	9.2
360.13467	5.5
360.17761	100.0
361.08627	3.3
361.17813	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
70.81772	1.5
72.00900	3.4
73.48227	0.9
74.02463	3.1
81.94191	1.0
98.52779	1.0
116.05083	14.0
121.72300	0.9
130.06633	65.3
131.06961	3.0
132.98227	1.1
141.98225	5.7
142.06610	3.4
155.82332	0.9
159.09286	1.7
174.99187	0.8
187.98692	4.5
202.98723	3.0
203.08257	9.0
213.03484	7.3
246.04530	4.7
255.04538	4.8
259.04041	3.1
301.05066	100.0
302.05365	8.6
360.98065	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	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51730	1.7
59.01392	10.8
61.98838	2.5
71.01389	3.7
71.31647	1.6
79.18367	1.4
85.02951	1.7
87.00860	3.7
89.02445	3.7
97.02956	100.0
98.03304	2.5
137.09758	2.8
163.28525	1.6
164.51694	1.7
175.08827	2.1
180.07947	1.7
181.08707	4.4
183.30272	1.5
189.06735	2.1
202.98776	7.6
217.00261	2.9
323.12421	1.9
343.13776	2.6
361.14951	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	361.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.5
58.29383	1.4
59.01376	1.8
62.35766	1.5
66.03447	1.8
69.50564	6.7
69.50969	2.5
71.44319	1.5
73.04076	49.7
74.02478	91.3
75.02785	2.0
82.02993	1.9
85.04096	2.2
87.05622	2.9
99.05614	2.7
109.02934	1.6
111.05651	5.3
112.02802	20.1
113.03608	2.5
113.07216	5.3
116.07166	3.0
121.90253	1.4
123.65425	1.4
125.03542	2.5
126.05567	2.7
129.10353	18.5
130.08788	2.2
135.04498	3.2
139.05142	3.4
139.08762	3.3
148.04330	2.7
152.07187	2.1
153.06650	3.7
155.08272	20.2
164.07170	10.6
165.10350	1.7
173.09305	10.6
187.05434	1.8
198.76756	1.7
204.08104	2.5
212.07530	13.5
212.14101	5.7
226.15611	3.4
260.14413	5.8
269.16110	2.5
273.10583	1.8
286.12277	6.5
299.14395	2.1
308.41794	1.4
317.16656	8.7
318.14844	2.5
327.10065	7.5
344.13022	4.1
361.15518	100.0
362.16113	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	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11851	0.8
54.86298	0.9
55.38054	1.0
59.01389	14.8
69.68150	3.9
75.79199	0.9
83.42313	0.9
87.83092	1.1
88.78600	1.0
111.78309	0.9
130.12720	1.1
149.28542	0.9
165.45354	0.9
257.29929	1.1
279.23328	100.0
280.23727	11.2
361.15057	1.1
361.23660	15.8
361.27875	1.9
362.24026	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	362.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75008	2.8
59.01086	5.2
59.01382	100.0
65.28852	2.4
65.31396	2.4
71.01394	11.1
72.04546	3.0
73.02956	4.6
81.03484	2.6
85.02927	4.1
87.05610	3.5
88.04054	58.6
89.02468	7.6
92.52179	2.7
101.02461	6.2
113.02441	6.1
113.07178	2.5
114.05611	5.2
116.05037	2.9
116.92846	3.1
119.05045	4.4
125.02458	7.8
129.85373	2.7
130.08742	16.3
130.09804	6.0
135.04535	5.5
136.04855	4.9
140.07184	69.3
141.07492	3.7
142.12369	8.2
147.04532	3.7
157.05092	4.1
161.04539	2.7
164.07153	10.1
167.06277	3.0
172.10863	6.7
178.05255	2.8
186.11343	7.9
187.04028	5.5
201.01717	4.6
201.12657	13.5
234.16055	3.6
243.06419	3.7
243.13512	71.5
273.14536	9.8
318.14639	6.0
362.18777	15.9
363.17352	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52781	1.6
59.01362	5.4
60.62601	1.4
61.32303	1.4
71.01387	3.8
71.05011	2.3
71.32507	2.1
72.00908	4.6
80.96532	1.8
82.02985	5.6
85.02937	2.5
86.81049	1.4
87.73110	1.6
89.02463	2.4
90.89687	1.7
91.05534	3.2
93.03448	1.9
97.02974	2.1
98.06127	1.4
98.21807	2.1
101.02448	2.2
113.02445	2.6
115.08787	26.7
116.07161	3.6
121.56964	1.7
133.02963	4.0
135.04529	4.6
136.04063	2.0
139.11295	6.4
147.04536	22.8
149.21315	1.5
149.61423	1.5
161.02472	10.1
161.06049	2.7
164.03525	6.4
164.07164	67.5
165.07449	3.1
167.11890	2.6
169.13457	5.4
171.10249	2.9
183.10265	10.3
186.05655	2.0
194.04556	2.7
196.06139	2.2
196.14542	4.5
197.13007	8.1
201.11374	11.7
214.13658	3.2
214.15610	47.6
215.15895	3.1
219.15076	9.8
243.06569	3.0
287.10388	12.4
318.21829	12.2
331.09390	4.7
362.20844	100.0
363.11816	1.8
363.16516	5.0
363.20627	6.7
363.23929	14.0
373.46973	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	362.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42844	3.3
57.06232	2.6
59.01357	3.4
70.87343	6.5
78.95901	3.0
81.00459	2.8
85.02955	21.9
87.00885	32.7
111.00899	100.0
112.01203	3.4
112.13000	3.0
115.00396	5.4
129.01941	3.7
133.01434	7.9
142.96640	3.9
168.46448	3.0
173.00948	6.5
191.01999	79.2
192.02200	2.8
258.97784	3.2
282.38644	3.3
309.22241	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	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03049	0.4
57.03458	2.0
58.35820	0.4
59.01385	3.2
69.28971	2.3
69.29378	0.9
71.01373	1.6
75.00892	0.6
80.96493	0.4
85.02972	1.0
89.02462	1.1
91.67719	0.4
92.29378	0.4
98.21796	0.9
99.04498	0.4
101.02468	1.0
108.02183	2.4
109.02491	0.7
111.08142	2.4
113.02475	2.1
137.09787	1.0
139.11311	36.0
140.11635	2.0
181.12364	1.0
183.10280	18.3
184.10628	1.1
201.11348	100.0
202.11697	5.7
215.12917	1.6
225.11378	2.7
243.12402	1.8
297.14120	0.6
362.27139	0.9
363.20346	1.1
363.27335	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75566	0.4
55.01876	1.4
57.03442	1.1
58.00599	0.9
59.01389	13.5
70.87682	0.8
71.01389	10.0
72.99319	15.8
73.02959	4.3
75.00851	0.4
83.01411	3.3
85.02959	5.7
86.00114	0.8
87.00878	0.6
89.02464	1.6
93.28870	0.4
95.01385	0.9
97.02998	0.6
99.00903	1.2
101.02462	10.9
102.02821	0.6
111.00832	0.6
113.02459	3.7
118.47421	0.4
119.03477	0.6
126.87433	0.4
130.08673	0.5
143.18521	0.5
183.10266	2.3
184.08661	0.4
201.11346	3.2
300.73206	0.4
317.15933	0.5
328.23163	0.4
345.15613	1.9
363.16653	100.0
364.16928	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	363.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25690	1.5
55.98056	1.7
58.00593	4.3
59.01382	100.0
69.09803	9.2
69.10229	6.2
71.01388	73.8
72.99314	7.5
79.16872	1.7
83.01362	3.4
85.02964	15.6
87.00882	5.4
89.02450	70.8
95.01374	4.2
99.08124	2.3
101.02452	48.2
109.22869	1.5
113.02459	26.4
119.03506	43.2
131.03510	1.7
143.03525	5.0
149.04637	1.8
155.14410	1.9
161.04512	2.7
172.68831	1.7
179.05606	3.7
183.13902	30.5
200.17545	1.5
201.14954	5.5
221.59390	1.5
230.80173	2.2
298.64099	2.0
363.20267	98.6
364.20618	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77368	1.9
59.01378	2.2
61.98837	2.5
86.84135	1.7
90.61523	1.8
163.36125	1.8
171.10286	31.6
207.28772	2.1
272.35007	2.0
277.21753	40.4
278.22195	2.2
295.22797	100.0
296.23132	10.6
317.21051	16.8
322.48105	2.1
363.21545	30.2
364.21231	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1883
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
61.23672	0.7
65.69537	0.9
70.25948	0.8
71.02479	1.3
72.00921	4.6
73.04086	13.3
83.02523	1.7
91.05538	7.3
103.05159	1.2
108.02190	3.1
108.54417	0.9
111.57502	0.8
112.07693	1.1
118.06647	1.7
129.10367	18.6
130.08766	5.2
139.08788	3.6
140.07213	6.7
141.10365	3.4
143.11871	1.3
147.04539	20.4
164.07193	66.8
165.07555	3.4
168.11432	7.5
169.09819	4.5
181.09930	1.0
182.08247	1.4
186.12506	55.6
187.12843	2.4
198.12581	1.0
199.10913	11.2
216.13832	1.1
227.31647	0.9
228.24370	0.9
233.16628	15.9
234.16930	1.2
270.77228	1.1
277.15628	2.4
290.18784	14.0
291.19119	1.3
302.18552	0.9
334.17767	13.7
346.17834	2.2
346.23865	1.6
364.18842	100.0
365.19150	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	364.1881
Annotation	Leu Ser Phe
Peak:m/z	Relative Intensity
59.01377	5.1
70.64704	3.1
71.01374	4.2
72.00907	3.6
73.04081	15.5
89.02452	1.5
91.05541	3.2
96.80629	0.9
98.22445	1.3
101.02453	3.4
113.02462	1.1
118.06664	6.3
129.10352	4.7
136.96097	1.0
139.08759	3.8
139.48598	1.1
141.10368	2.6
147.04539	19.2
152.07115	1.2
153.00899	0.9
153.10310	3.5
157.12450	1.7
164.07178	53.6
165.07503	3.2
168.11440	3.2
169.09836	13.2
177.10318	4.9
183.11435	1.5
186.12488	81.3
187.12793	3.2
199.10825	1.6
203.11008	1.2
203.12898	3.4
215.88716	1.1
290.08026	1.1
290.18710	5.2
334.17734	100.0
335.18140	10.3
337.53125	1.0
346.17755	2.7
364.18762	25.0
364.23923	2.7
364.88113	1.0
365.18240	28.2
389.10019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	21.7
66.25529	2.6
69.18439	5.3
69.18829	21.2
71.01377	5.1
72.99323	2.7
80.96515	2.2
82.03009	3.9
89.02457	4.4
98.62080	2.3
101.02460	6.9
119.03548	2.9
141.71800	2.9
145.07736	100.0
146.08072	4.5
188.08311	88.4
189.08670	5.1
214.09868	29.8
225.24152	2.5
228.11449	3.6
249.51503	2.4
256.11002	26.0
279.13525	3.3
304.13052	8.9
305.07114	2.7
305.12491	3.9
322.14075	58.4
323.14359	6.0
356.36865	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15563	0.7
54.86041	0.6
55.01866	0.7
57.03449	1.7
58.00595	1.2
59.01095	1.5
59.01384	26.3
65.35393	0.6
69.56425	3.5
71.01385	18.0
72.99303	1.1
73.02935	2.4
76.04597	0.7
83.01385	2.7
84.71600	0.7
85.02946	4.9
87.00851	1.2
89.01941	1.2
89.02449	12.1
95.01382	1.2
99.00882	1.0
101.02452	14.5
113.02450	5.2
119.03497	5.6
127.11294	2.7
143.03500	0.6
155.10751	1.8
157.12355	15.4
171.13921	0.8
179.03444	0.7
185.11852	2.6
187.13400	1.0
199.13437	1.3
203.12894	43.5
204.13251	1.9
233.11957	0.8
245.13899	1.6
321.72015	0.7
365.18182	100.0
366.14236	1.0
366.18521	9.2
385.68341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.27
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
70.21382	1.1
73.31583	0.4
89.02575	0.5
96.96024	1.0
137.06116	0.6
137.88234	0.4
150.09613	0.5
151.73691	0.4
165.09177	1.5
166.46800	0.4
179.10709	0.9
194.91821	0.5
259.20621	0.9
261.14838	0.5
265.14780	0.9
270.96133	0.5
279.19550	0.8
303.26913	2.1
312.08307	0.5
329.25006	1.0
337.17331	0.6
347.25931	100.0
348.26270	11.7
365.26984	26.9
366.27496	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	365.27
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
53.45046	0.4
53.57111	0.4
55.01862	0.5
69.28259	3.6
70.54670	0.5
73.28268	0.5
77.28489	0.5
86.50817	0.5
153.90956	0.5
155.14420	0.8
163.11305	1.0
165.12828	2.8
181.12337	1.5
199.13409	27.0
200.13814	1.3
205.91803	0.5
261.98645	0.4
301.52527	0.5
347.26007	3.3
365.26987	100.0
366.27365	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	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
67.18720	1.5
70.36837	4.2
80.96492	1.7
112.16074	1.4
137.06056	2.2
165.09126	1.4
258.68433	1.3
279.15823	1.4
303.27081	2.5
329.24979	1.7
336.51263	1.4
347.25934	100.0
348.26324	13.9
364.45764	1.2
365.27005	29.2
366.27240	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	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.38382	0.8
53.92968	1.0
70.94243	2.8
71.34686	1.0
78.35802	0.9
84.48310	0.9
84.96581	0.8
85.06607	2.5
85.27477	0.9
114.99592	1.0
130.26778	1.2
130.27863	1.1
165.12901	1.1
199.13423	3.4
222.79134	1.0
238.69167	1.0
261.18753	1.0
274.38373	1.0
279.19693	14.9
280.20163	1.6
347.26047	6.8
365.26990	100.0
366.27368	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	365.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33057	5.5
77.04305	4.5
82.50319	4.6
125.82077	5.2
135.81744	5.1
199.13474	6.8
199.98827	6.0
230.90761	5.9
237.58507	4.8
251.21172	4.6
277.21799	8.3
279.19470	10.2
312.58405	4.8
347.25848	30.3
348.89084	5.6
365.26959	100.0
366.27457	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37025	0.6
55.82509	0.6
59.01389	20.2
62.12826	0.7
68.65057	0.6
71.01392	9.7
71.32175	0.9
72.99322	3.1
73.02975	1.2
73.04074	0.8
75.00883	3.5
85.02975	2.2
87.00900	2.1
87.05684	0.9
87.62611	0.7
89.02452	7.9
95.01448	0.6
99.00914	1.2
101.02454	6.6
107.28583	0.6
107.59742	0.6
111.00938	0.6
113.02467	2.6
116.05080	9.5
119.03524	3.1
128.05103	2.1
130.06641	3.1
130.08713	0.6
132.04498	0.7
142.06642	100.0
143.06982	5.4
148.04372	0.7
157.05325	0.8
158.06125	12.2
159.06413	0.7
186.05623	51.2
187.05975	3.5
204.06671	30.5
205.07037	1.5
237.06232	0.7
237.08919	0.9
246.07697	3.0
310.92972	0.7
366.11884	68.4
367.12418	7.0
383.02451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75703	0.7
57.74669	0.7
66.05029	0.6
70.21198	2.7
77.60469	0.7
88.36038	0.6
104.05097	0.8
120.04531	0.7
121.02975	0.8
132.04532	3.3
140.31862	0.7
146.06125	4.5
148.07695	48.2
149.08000	2.2
162.05591	0.8
164.03542	1.1
202.98720	0.7
233.19102	1.5
348.26428	4.4
366.24347	100.0
367.24710	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	366.9835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.3
71.01385	7.3
71.31022	2.4
73.02944	2.8
73.04056	1.3
74.02477	3.9
74.99380	4.5
76.20169	1.0
83.01380	1.1
84.04582	1.1
85.02972	3.7
87.05656	1.1
92.83080	1.0
93.03543	1.0
95.01406	1.7
97.02955	12.0
99.00904	1.4
99.34356	0.9
101.02462	3.3
104.38287	1.2
107.05037	14.0
109.01476	2.5
111.03015	1.6
113.02460	2.9
115.08721	1.5
117.00380	1.8
119.05035	2.3
125.00928	2.7
127.02540	2.0
131.04648	1.0
135.04558	1.4
137.00972	2.4
139.02534	5.4
141.00459	2.2
143.11922	1.6
148.96262	1.2
151.02534	1.4
154.06253	1.6
155.02032	36.5
156.02237	2.5
157.03607	3.2
161.04614	1.6
165.00444	6.5
174.99275	4.2
179.01994	1.7
180.99936	4.1
181.03633	1.9
183.01514	16.4
184.01671	1.8
187.10933	4.4
190.97192	1.4
194.98335	1.5
197.01395	1.9
197.03084	8.0
207.01511	2.3
208.99416	11.4
209.99615	1.8
212.99312	5.0
213.00887	4.2
222.97678	1.1
224.97296	1.7
224.99358	3.1
232.98334	1.8
236.99313	12.4
244.47806	1.1
249.08514	1.1
253.02475	3.3
255.00388	16.5
255.02263	5.3
256.00394	1.7
268.98340	1.3
269.01865	1.1
270.99847	3.2
279.00391	43.1
280.00406	6.5
280.98276	1.8
285.01428	2.4
294.99921	3.0
297.01462	29.6
298.01685	2.5
313.01010	17.0
314.00949	1.8
315.02469	5.0
322.99261	7.2
324.11981	3.9
341.00427	100.0
341.08771	11.0
342.00504	9.9
349.11691	1.4
366.98294	27.0
367.98535	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.5
59.01382	18.7
62.51634	3.8
63.48889	3.9
65.72594	3.8
68.99825	6.8
69.03455	4.5
70.95222	6.3
71.01377	11.9
72.99304	4.8
74.02468	4.0
83.01386	11.1
83.04993	5.4
87.00883	12.9
88.02173	3.5
95.05025	4.0
96.99294	7.0
97.03004	4.9
99.00898	4.0
99.04533	4.8
99.93238	4.2
107.04993	4.7
113.02451	4.2
114.05614	18.6
115.00410	27.9
120.05741	3.7
121.06526	4.5
123.08150	7.0
135.08147	13.3
145.02988	4.4
147.04489	4.8
147.08177	7.9
149.06123	6.0
149.09731	15.9
161.06105	4.7
161.09732	4.9
161.11580	3.9
163.07607	9.4
165.09192	29.4
174.01715	100.0
175.02528	21.9
177.09216	48.2
178.09464	5.0
189.09317	8.9
193.08713	5.0
199.24721	3.8
205.08699	28.4
207.10210	5.4
219.10225	5.6
233.08157	28.3
235.09839	4.7
235.97763	3.7
245.08179	3.7
263.09241	15.3
313.63657	3.8
323.11438	79.1
324.11819	6.6
367.10117	8.8
367.21259	13.6
368.17227	5.5
368.21881	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	367.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01388	3.0
71.01397	1.3
71.31733	0.7
72.00919	13.6
74.02490	0.6
86.33408	0.4
89.02447	0.8
92.01861	0.5
99.04565	1.1
101.02475	1.4
147.04544	40.3
148.04886	2.1
150.70834	0.4
164.07191	100.0
165.07524	5.9
169.37967	0.4
177.01973	0.5
183.67873	0.5
187.10793	0.5
237.04213	0.5
246.68552	0.5
367.03720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.9
59.01379	36.7
60.02301	6.2
69.62410	12.6
69.62828	36.7
71.01396	50.1
73.02964	32.9
80.63458	7.2
82.64105	7.8
83.01389	15.6
85.02962	18.9
87.00896	14.0
87.76622	6.4
99.00897	15.3
101.02451	58.6
108.38686	7.0
113.02474	10.4
121.03014	15.9
148.05653	6.6
161.04581	9.1
192.95901	12.1
214.68137	7.2
235.11877	100.0
236.12230	11.8
358.48853	7.1
367.03271	9.8
367.16019	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1619
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
52.37013	1.3
54.43219	1.0
57.03442	2.0
59.01372	2.3
69.16792	9.9
71.02517	1.9
72.00914	8.6
73.04073	96.5
74.02477	3.5
74.53265	1.0
83.02527	13.1
87.00918	1.3
91.05547	4.8
101.02423	1.8
105.93823	0.9
116.05061	1.0
118.05151	1.8
118.06636	20.7
119.06973	1.4
131.05054	1.6
131.06308	1.0
135.04497	1.1
146.06126	24.3
147.04530	32.5
147.06367	1.9
151.38356	1.0
164.07173	78.2
165.07515	4.5
175.08821	1.6
178.80716	1.1
203.08282	21.7
204.08510	1.4
250.12373	59.1
251.12785	6.8
276.10159	1.2
294.11301	1.5
311.14072	1.7
324.17468	1.7
368.16168	100.0
369.16385	14.2
369.27380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12649	0.7
59.01376	1.3
66.79675	0.5
69.80807	1.2
69.81223	1.7
71.01381	0.7
75.21979	0.6
85.02995	0.6
86.83446	0.5
88.80553	0.5
89.02460	0.7
93.68625	0.6
102.47123	0.6
125.41488	0.5
130.08752	100.0
131.09102	3.7
134.04745	3.6
135.10754	0.6
179.46709	0.6
237.09840	0.7
250.87357	0.6
280.58255	0.7
296.21857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24512	1.4
57.97548	1.8
59.45327	1.6
69.35893	3.4
69.36315	6.3
98.21881	3.2
99.04523	86.7
100.04881	2.1
113.55798	1.3
125.02487	2.0
128.03561	2.1
138.79730	1.3
143.03510	100.0
144.03868	3.8
163.35104	1.4
170.99806	2.1
173.01344	4.1
180.99091	5.3
187.02501	50.0
188.02798	1.8
198.99272	10.0
224.97469	4.5
237.04446	1.6
242.98283	1.9
245.15411	1.5
253.03824	1.5
281.93790	1.5
307.01306	2.6
325.02023	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	369.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.0
57.03441	4.2
58.00583	1.5
59.01387	49.9
59.68628	0.8
60.01705	1.1
61.70927	0.9
61.98816	1.5
67.19328	0.9
69.03448	1.7
69.12621	3.2
69.13045	5.1
71.01392	73.9
72.99326	4.9
73.02957	32.7
74.02449	1.1
75.00866	3.0
81.03475	1.7
83.01387	11.4
85.02962	35.6
86.03335	1.0
87.00888	4.4
87.50477	0.9
88.04050	1.8
89.02453	23.6
89.02961	1.8
95.01385	4.2
97.02989	6.4
99.00896	20.8
101.02458	76.5
102.02794	1.4
107.03675	1.2
110.07231	1.0
111.00890	2.7
112.04018	1.3
113.02467	27.8
114.02771	1.1
114.05599	1.9
114.98878	1.3
115.04024	4.0
117.00436	4.8
119.03524	2.9
119.05396	1.0
125.02466	9.1
126.00431	0.9
127.04000	1.6
128.07207	1.3
129.01921	1.0
130.08769	10.8
131.02019	4.1
131.03482	5.1
131.09065	1.8
132.02003	1.1
134.04747	31.9
143.03549	6.0
148.06317	1.3
149.04572	6.5
151.03957	1.0
156.99968	2.7
159.01859	1.1
159.02989	5.8
161.04581	38.4
162.04889	1.9
191.05641	2.7
194.01662	1.3
201.12463	1.6
205.03525	1.1
227.00577	1.5
233.06715	6.8
237.09822	98.6
238.10147	5.1
257.03613	1.3
272.09937	2.9
273.03168	3.2
274.03403	1.2
288.07568	1.5
293.08884	2.5
298.12650	1.0
338.05280	1.9
341.02402	1.3
369.01419	2.4
369.14041	100.0
370.06863	2.4
370.14368	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	369.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77907	1.0
57.03466	7.1
59.01366	1.3
61.75834	1.1
62.58731	1.0
66.55967	1.1
69.10348	3.6
69.10768	8.8
71.04996	1.4
85.02967	1.7
87.00890	100.0
88.01212	2.4
91.25655	1.2
95.05053	4.5
99.00929	1.3
104.52513	1.2
106.32619	1.1
120.54460	1.2
121.10248	5.7
125.63125	1.1
130.99878	4.1
137.02457	1.6
138.03238	3.9
139.04036	39.7
140.04332	1.6
141.05600	2.1
147.11821	4.2
182.91904	1.2
205.62869	1.1
235.16908	1.3
245.15512	4.7
265.14496	7.1
289.14410	10.6
307.15631	1.7
333.13541	1.1
369.15564	16.6
369.22995	1.5
370.15750	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	369.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
69.71712	1.8
70.47237	0.4
71.01381	0.5
74.02490	0.6
84.80446	0.4
96.95998	0.6
130.08711	0.4
135.04488	0.5
161.02434	0.6
196.17105	0.4
240.16040	6.3
241.16431	0.7
264.34402	0.4
339.08755	0.5
348.45218	0.4
369.27597	100.0
370.27896	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48636	0.7
56.73356	0.8
56.86878	0.8
58.02962	0.8
59.01375	0.9
61.98820	2.4
69.22855	3.2
69.23281	4.0
72.50895	0.8
80.95673	0.8
81.03462	12.8
83.05035	38.3
84.05344	1.0
88.04021	1.3
100.07688	5.9
125.07214	2.6
143.18745	1.0
160.84375	0.9
171.53574	0.8
199.18198	8.4
207.15009	1.2
224.17705	3.5
225.16115	5.1
241.40521	0.8
243.17139	23.0
244.17445	3.0
269.15045	0.9
308.23502	1.2
352.22617	1.4
353.20782	4.0
354.21698	1.0
370.23477	100.0
371.23746	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	370.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76295	0.3
50.83120	0.3
57.03442	1.6
59.01374	1.1
68.27720	0.3
69.11092	0.9
69.11505	3.0
69.31873	0.4
71.01372	1.1
71.05020	0.5
72.99305	0.4
81.03468	2.0
83.01380	0.5
83.05047	2.1
85.06586	0.5
89.02433	0.3
93.07107	0.4
96.00958	0.5
97.06591	0.7
99.08183	1.0
101.06075	0.5
109.02961	0.5
109.06610	0.7
122.03761	1.0
123.08176	1.5
125.02486	4.1
125.06087	2.2
128.10825	2.7
130.08759	1.2
139.11295	1.3
141.92845	0.4
151.00417	0.7
154.12398	0.8
164.07167	3.5
165.07776	0.8
165.09210	13.5
167.10634	0.4
183.13913	4.3
185.11882	0.4
191.07228	0.4
205.05084	0.9
208.06090	1.8
209.08194	53.1
221.15489	0.7
222.07658	0.4
223.17058	9.2
223.19093	0.7
224.17285	0.4
233.08122	0.5
248.60028	0.4
251.09656	0.4
261.18692	1.0
306.24353	1.3
324.25455	22.6
325.25723	2.6
327.08823	0.5
352.24927	0.9
370.25986	100.0
371.17288	0.4
371.26379	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0774
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.98568	0.5
61.98822	0.6
70.72025	1.0
70.72348	0.8
105.48991	0.5
121.02966	100.0
122.03280	4.1
129.17223	0.6
135.04538	0.7
144.41917	0.6
164.34982	0.5
179.03508	10.2
180.04042	0.6
180.05956	0.6
225.05652	1.0
371.07733	10.5
372.08069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
71.01375	4.0
71.33308	0.8
71.33742	1.3
73.02958	1.0
81.10317	0.9
88.50379	0.9
89.02435	2.3
99.94357	0.9
101.02457	1.2
107.38965	1.0
109.02966	17.8
110.03327	0.9
113.02440	1.4
117.03456	1.0
121.03013	1.0
130.08736	2.4
137.02444	1.0
145.02966	34.4
146.03758	29.9
147.04585	4.1
147.11769	1.4
157.02971	1.7
158.03683	1.2
159.04527	3.1
161.02393	3.2
163.04013	3.8
173.02451	13.5
174.03117	1.4
175.03995	1.5
177.05585	3.6
187.03995	1.8
188.04829	1.9
189.01927	2.1
190.02719	16.0
191.03250	1.3
193.06625	1.0
203.03458	2.2
204.04253	4.0
205.05060	100.0
206.05402	5.0
209.08209	1.5
209.11833	1.6
217.05074	15.4
218.05473	1.3
221.06178	0.9
229.01419	5.4
239.07063	1.7
249.05434	1.8
261.03903	1.6
265.05093	1.1
267.06641	7.1
268.07196	1.8
277.05054	3.2
278.05591	0.9
293.04538	1.3
295.06241	6.0
309.07617	1.1
327.05096	1.5
327.08755	17.4
328.09088	2.5
339.05154	3.7
370.26007	1.2
371.07718	1.8
371.17053	1.9
371.24701	3.7
372.27536	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	371.0986
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
52.27187	0.5
54.85112	0.5
58.00595	0.7
58.02968	0.6
59.01385	12.0
64.22997	0.5
69.03481	2.5
69.03905	2.9
71.01397	4.9
82.06644	0.6
84.04568	3.7
85.02953	1.2
87.05638	2.0
88.04050	5.4
89.02459	3.8
98.22552	1.2
101.02455	2.1
102.05618	11.8
109.02947	0.5
109.04086	0.7
113.02472	1.8
114.05631	0.7
119.03490	1.5
127.05141	2.9
128.03557	22.4
129.06715	2.1
129.10364	3.9
130.08757	3.4
130.09541	0.6
137.02510	0.5
139.08745	1.2
143.11902	0.5
145.06212	3.3
146.04622	5.0
147.04512	0.6
148.01691	7.7
149.02348	0.7
150.03239	7.1
153.01968	0.7
161.02505	0.6
163.04048	0.7
165.05600	1.9
166.08781	0.6
166.91393	0.5
171.15044	3.4
176.01163	70.5
177.01468	3.4
191.03519	100.0
192.03859	6.3
194.02219	2.9
195.15054	1.7
196.14577	2.3
197.16650	1.4
199.18135	2.2
207.06635	0.9
209.04559	16.8
210.04915	0.7
214.15601	0.9
218.02298	0.7
223.10962	1.8
225.16080	5.4
233.04507	2.7
242.18777	1.9
243.17151	8.4
251.05608	1.6
284.23505	0.9
285.19458	1.1
311.07886	2.0
315.97839	0.6
328.22522	2.9
371.09824	11.4
371.19360	6.6
371.23282	4.0
372.10654	0.8
372.21408	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	371.2189
Annotation	TMC-96
Peak:m/z	Relative Intensity
54.53459	1.5
57.73534	1.4
69.55755	5.4
69.56178	4.6
81.03468	16.0
81.20658	1.4
83.05033	56.1
84.05373	2.5
100.07691	16.4
108.04639	1.8
130.08740	4.3
168.08563	2.7
169.57773	1.4
170.39316	1.4
199.18202	10.7
223.10895	1.5
225.16045	9.7
243.17171	32.0
244.17509	1.9
253.50853	1.4
269.15143	3.6
353.20963	10.3
354.20999	2.3
371.21902	100.0
372.22150	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	371.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27404	0.6
55.87128	0.8
57.40488	0.8
58.02969	1.9
59.01384	1.3
61.98865	0.7
64.33211	0.9
66.69847	0.7
68.28565	0.8
70.02976	0.9
71.01399	0.8
71.02509	0.8
73.04079	6.5
74.02489	12.9
82.03001	1.1
82.06622	4.4
85.04096	0.8
87.05650	11.8
88.04055	3.7
97.04090	1.2
98.02479	1.7
98.22545	3.0
108.02216	1.6
109.02958	1.4
112.02853	0.9
112.04037	1.0
114.05566	1.3
114.09246	1.0
123.03224	0.9
127.05157	4.7
128.03563	3.8
129.10373	4.7
130.08762	93.5
131.09065	1.8
133.02966	1.0
139.08778	3.3
140.07188	8.5
141.10353	3.2
143.11929	6.8
143.15820	0.9
143.37964	0.8
144.07794	1.3
145.02858	0.9
145.06229	1.5
146.03749	2.7
147.04559	4.6
152.07172	0.8
153.10391	1.6
157.13504	3.0
169.09869	7.8
170.72327	0.8
171.15053	1.0
180.10291	6.8
181.09807	0.8
182.15564	2.5
183.11528	1.6
186.12526	6.0
187.10878	2.2
187.12567	1.0
190.02797	1.4
196.14546	11.2
197.13057	3.8
197.14742	0.9
199.18181	31.7
200.18523	1.8
201.12514	2.1
208.13437	2.7
209.16638	2.7
214.15628	0.9
222.12578	2.0
223.10927	3.0
224.09160	1.1
230.01494	1.0
239.07162	2.0
240.13542	6.0
241.12029	3.8
243.17287	3.8
252.07790	0.8
253.04997	1.3
256.20361	8.7
267.06598	1.9
268.07382	2.2
268.20477	1.3
283.09769	4.5
283.16702	2.7
284.10538	0.8
295.21561	1.0
310.21399	2.6
327.15643	1.0
327.24115	3.0
353.21924	1.1
354.20370	6.2
371.23044	100.0
372.22516	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	371.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.9
66.03491	1.7
69.69460	4.1
71.01376	3.3
73.02940	0.9
73.04088	1.0
82.06635	3.9
84.04556	2.1
84.08189	1.6
85.02937	1.4
87.05656	4.2
88.04051	12.2
89.02448	3.1
95.01337	0.7
97.06605	0.7
97.07715	1.0
97.94054	0.7
99.00929	1.0
101.02470	2.1
102.05621	9.2
103.20048	0.7
109.02955	0.9
112.07695	1.4
114.05637	1.6
115.08772	1.8
116.07199	1.1
119.03563	0.8
119.94303	0.7
122.80560	0.8
125.02465	0.8
127.05163	1.4
127.08828	1.3
128.03557	18.3
128.07217	0.7
129.03922	1.0
129.10356	6.0
130.08757	100.0
131.09113	2.6
133.02974	1.1
139.08807	1.2
141.10384	1.0
144.11462	10.8
146.04657	3.7
147.04549	2.6
150.03258	1.3
154.09912	4.3
169.09897	1.1
171.15065	2.8
176.33597	0.7
182.15494	2.7
191.03513	1.8
194.02182	1.2
195.15056	0.7
197.16554	1.6
199.18182	19.8
209.04591	2.6
210.16196	3.8
212.17668	4.3
214.19310	3.0
220.01587	0.7
220.94499	0.7
223.10931	2.7
225.16107	3.1
240.17189	15.9
241.17740	1.5
242.18602	1.0
243.17165	10.2
253.04980	0.9
257.19843	0.9
283.09839	2.0
327.24252	1.0
327.27695	12.3
328.22549	2.8
328.27988	1.6
353.25531	0.8
371.13422	2.8
371.22977	7.5
371.26746	75.4
372.21536	13.2
372.27008	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	372.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
59.01395	7.6
63.96405	1.1
66.03472	1.4
68.99799	1.1
69.03445	2.9
69.68327	5.6
71.01370	3.4
72.99290	2.2
73.04060	4.9
74.02481	6.5
79.01895	14.5
81.03468	31.4
82.06618	5.0
84.04554	18.7
88.04036	1.6
89.02438	3.4
93.03457	1.4
97.02924	1.3
98.31316	1.1
98.70709	1.1
99.00904	2.1
102.05623	50.8
104.03511	1.8
107.01379	5.3
107.05024	1.2
108.02154	1.8
109.02238	2.2
109.02964	35.6
112.07682	2.0
115.08777	1.5
121.03012	2.7
122.03800	1.5
123.04512	1.9
125.02457	20.8
128.03557	100.0
129.03876	2.2
129.10361	19.7
130.08751	25.8
131.09041	2.2
133.02940	2.6
135.00917	3.7
135.04562	7.9
139.08754	4.7
143.11900	2.3
146.03590	1.9
146.04625	22.3
149.02460	2.7
149.06114	1.9
150.60541	1.1
151.00362	4.3
152.01115	1.8
153.01974	5.6
154.12392	2.4
155.11862	3.1
165.02074	1.4
167.51596	1.1
171.15048	11.9
178.06584	1.2
178.99928	1.4
179.03456	3.4
193.01390	2.3
195.15015	4.7
197.00763	1.2
197.16553	6.6
199.18161	5.5
211.14563	1.1
215.13960	2.1
222.98862	2.1
223.10905	12.5
225.03923	1.7
225.16092	20.5
226.16443	1.2
242.18719	9.8
243.17151	49.7
244.17430	3.6
267.06622	1.9
268.20169	1.6
284.23425	3.0
285.06302	2.6
285.11371	4.8
311.21115	1.3
328.22424	12.9
329.05051	2.8
343.19888	5.0
372.21411	73.4
373.04138	37.8
373.21335	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	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.9
69.03444	2.2
69.06509	6.9
69.06937	6.1
69.63416	1.2
71.01388	3.7
72.54388	1.4
74.02448	1.9
79.01890	5.6
81.03460	3.9
82.06625	2.9
84.04554	14.4
85.02975	1.4
89.02460	2.6
92.75272	1.3
98.22529	3.0
101.02476	1.8
102.05619	50.1
107.01389	1.9
109.02960	6.0
112.07706	1.7
115.08788	1.7
120.48300	1.4
121.02980	7.2
123.04556	1.7
125.02424	2.8
128.03558	100.0
129.03883	3.0
129.10364	11.7
130.08754	23.4
133.02986	1.6
135.04514	4.7
139.08789	2.9
145.06194	1.5
146.04597	24.2
147.00906	3.8
148.01648	3.9
149.02451	17.4
151.00409	1.7
154.12376	2.6
154.65543	1.4
155.11816	2.3
155.70741	1.4
166.13551	1.4
170.46332	1.3
171.15047	10.3
175.00380	2.7
176.01263	1.6
179.03569	1.4
185.12291	1.5
191.14241	1.5
193.01422	36.9
193.03194	2.0
195.14995	5.7
197.16618	5.5
199.18147	6.1
200.33708	1.3
215.14030	2.8
223.10893	12.7
225.16057	18.3
238.66855	1.4
242.18785	7.6
243.17152	46.5
243.19594	3.1
244.17487	3.4
267.06763	2.3
268.20273	1.9
284.23593	3.4
285.11417	4.6
328.22437	11.6
343.19794	2.5
372.21420	91.5
373.03894	7.6
373.21729	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	372.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30774	0.8
59.01372	0.8
66.03481	1.4
68.05037	1.9
69.51296	5.5
69.55442	1.0
71.01372	1.8
73.04060	1.4
82.02982	4.7
82.06613	5.0
84.04535	1.5
95.03793	0.9
96.04578	0.9
100.04036	2.8
101.07215	8.9
102.05576	1.4
109.04047	1.7
109.97446	0.9
111.05648	1.4
112.04035	1.8
114.09199	1.0
123.03252	3.3
125.03533	1.3
126.09225	2.1
127.05145	7.6
128.03514	3.0
129.10291	1.9
130.08746	100.0
130.42430	0.8
131.09079	2.9
136.11327	5.1
140.07178	11.3
141.10382	1.1
145.06241	7.4
146.04572	1.6
151.12418	1.6
152.10817	2.5
167.11871	1.9
169.09846	1.9
169.13432	1.2
171.15065	1.5
179.11893	3.0
180.10312	46.3
181.10629	3.0
182.15477	2.8
197.12936	13.5
199.18182	16.3
200.18501	1.4
209.16582	1.6
214.61026	1.0
223.10873	15.5
224.09329	4.2
224.11197	1.4
225.16040	1.2
235.09738	1.0
240.13707	0.9
241.11971	10.5
243.17105	7.8
284.23419	2.1
292.20264	1.0
310.21317	5.6
354.20352	37.3
355.20685	3.9
372.21375	67.8
373.21744	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	372.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	1.0
58.02980	33.5
59.01375	4.1
60.99310	2.0
72.00921	8.9
73.04073	1.4
74.02480	90.3
75.02811	1.1
76.13145	1.1
80.05070	2.3
85.04072	1.3
86.02482	7.7
87.05653	1.5
94.02441	1.0
97.04081	2.0
104.03549	59.4
109.02956	4.4
112.02803	2.6
116.05024	1.3
124.02702	1.0
125.03583	1.5
126.09241	2.2
128.10815	1.8
129.10361	21.7
130.08748	10.3
133.02863	1.4
135.04565	5.4
139.08736	2.9
140.07152	2.7
141.10338	1.2
143.11911	30.0
144.12283	1.2
153.10313	4.8
154.08720	6.0
155.08521	1.2
155.10672	2.2
155.11919	40.5
156.12259	1.2
161.02449	3.7
164.14438	2.9
167.08310	1.2
169.09854	3.5
171.10052	2.1
171.11418	27.9
173.12956	3.5
179.03494	1.9
187.10960	6.6
193.05078	1.4
195.14943	4.3
197.16599	11.4
199.18150	4.9
203.08359	2.8
208.13425	14.7
211.13167	1.3
219.06677	1.5
223.18227	1.5
224.17705	1.2
225.16080	17.5
226.16348	1.4
228.72562	1.6
231.12132	1.6
243.17091	1.1
256.20316	56.6
257.20618	6.5
263.13782	1.2
267.17099	7.8
268.20300	38.6
269.20700	2.9
285.18204	14.5
286.18469	1.7
286.21341	4.3
297.07721	3.0
298.21384	6.2
310.21405	34.7
311.21649	3.2
324.19360	2.5
328.22495	4.3
329.10416	2.0
342.20346	91.7
343.20673	10.2
354.20346	4.5
372.21399	100.0
373.22253	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	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29093	3.0
59.01369	7.3
61.98837	8.8
69.27227	3.0
70.63358	6.7
73.19399	2.8
82.02961	3.7
100.04046	10.1
101.07242	5.7
121.02984	4.8
127.05182	9.5
130.08752	88.1
130.09694	6.7
136.11322	4.7
140.07208	14.0
145.06194	9.7
162.83931	13.9
176.34824	3.7
180.10329	48.2
197.13000	17.2
199.18170	14.7
210.78128	3.9
223.10873	8.5
224.09286	4.3
241.11954	11.7
243.17226	7.9
310.21506	8.0
354.20480	26.6
371.88882	7.5
372.21414	100.0
373.21863	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	372.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.6
68.05026	1.2
68.61601	0.8
69.22521	6.2
69.22929	1.9
71.01395	5.0
74.02441	1.6
80.05038	1.2
82.02960	3.6
82.89091	1.0
84.04531	1.7
88.04028	1.5
91.02245	1.1
95.03783	1.0
96.00893	1.0
98.02469	1.6
99.04498	1.0
100.04043	6.5
101.07216	6.5
102.05596	1.0
105.03452	2.5
109.02946	2.9
109.04053	1.2
112.04041	1.7
114.09260	1.3
115.00345	1.8
121.02997	1.5
121.04166	1.0
122.03698	2.8
123.03255	3.3
123.04488	1.0
124.01640	2.6
125.03461	1.1
126.61503	0.9
127.05127	6.2
128.03496	3.9
129.10280	1.0
130.08745	99.8
131.09090	4.4
133.02989	5.0
135.04521	5.3
136.11322	4.7
139.08847	1.0
140.07185	13.0
141.10312	2.1
143.11864	2.1
145.06189	10.3
146.04626	2.0
147.04485	2.1
148.05287	1.1
149.02428	1.4
152.10753	1.8
161.06036	1.8
167.11864	2.1
168.08963	2.1
169.09818	2.7
169.13399	1.9
171.15041	1.3
175.03885	1.6
179.03464	2.4
179.11885	2.1
180.10306	53.1
181.10719	2.0
182.15483	0.9
193.01408	2.9
193.05061	0.8
197.12975	11.5
199.18158	20.9
200.18393	3.0
205.09734	1.4
209.16547	1.9
211.02400	2.4
222.12622	0.9
223.10876	10.4
224.09276	6.8
241.04929	1.2
241.11899	8.5
242.05803	2.5
242.18739	3.4
243.17131	10.2
253.14305	1.4
256.19122	7.4
257.08212	2.0
269.08304	1.0
270.08914	2.1
284.23447	3.5
285.11313	17.0
310.21307	7.5
329.10541	1.2
354.20364	27.8
355.20514	2.8
372.21323	100.0
373.08984	1.6
373.21820	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	372.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51224	0.5
59.01378	2.1
64.58867	0.5
66.03479	0.9
70.02966	1.8
71.01377	0.8
71.02518	1.1
79.97105	0.5
80.05061	0.7
82.02961	0.6
82.06638	1.6
83.05002	0.5
87.04517	0.8
87.05647	10.7
94.06647	0.6
95.02522	3.2
96.00920	100.0
97.00709	0.5
97.01236	2.7
98.02483	2.5
101.02441	0.7
109.01696	2.3
111.02009	0.8
113.03584	46.2
114.03895	1.2
123.03275	0.8
131.04639	3.0
135.04483	0.6
138.09224	0.8
139.08760	2.4
140.07191	2.3
146.07942	0.5
153.10323	0.6
162.59511	0.6
165.10318	1.6
166.08727	5.2
183.14026	0.9
195.15085	2.8
197.16611	3.8
204.09045	1.3
208.13446	1.8
212.87036	0.6
223.14546	1.4
225.16104	8.7
226.16383	0.9
233.16644	1.3
245.17599	0.7
257.18695	3.9
261.16077	5.2
277.15659	0.6
278.18735	1.7
279.17032	5.4
304.16486	0.8
305.14972	1.2
312.19336	0.7
322.17761	1.6
323.15985	1.4
326.27127	0.7
329.27005	1.6
331.34744	0.6
337.17685	39.9
338.18082	3.8
354.20361	34.8
355.20779	3.8
372.21161	3.3
372.27625	12.1
373.18515	1.0
373.26559	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	372.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14681	0.4
55.01886	0.5
57.03439	1.8
58.00590	2.0
58.76526	0.4
59.01393	2.5
69.19693	2.0
69.20112	1.8
71.01387	2.3
71.04980	0.6
71.65062	0.4
72.02165	1.5
73.02947	3.8
83.01405	0.5
83.05025	1.0
84.02184	0.5
85.02962	1.7
89.02451	0.6
94.11546	0.4
96.96007	0.5
99.04529	1.9
101.02445	2.1
101.06054	0.9
113.02470	0.5
116.07146	0.5
119.91411	0.4
127.07693	0.5
130.08742	0.9
144.10329	0.7
153.12842	1.6
169.15962	1.8
171.10388	0.5
173.00092	0.5
185.00385	0.4
195.00542	0.4
199.13440	1.0
205.90019	0.4
213.14958	9.5
214.15247	0.7
216.67468	0.6
225.14937	8.9
226.15480	0.6
241.18117	1.2
251.16429	1.2
253.18076	1.8
265.18027	0.8
291.19647	2.1
301.20325	1.1
309.20908	0.7
327.21729	1.9
336.25629	0.7
354.26440	4.5
372.27557	100.0
373.18759	5.0
373.28104	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	372.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
58.02970	1.0
58.50043	0.4
59.01379	1.4
67.05516	0.6
69.03462	0.4
69.41669	3.1
71.05020	1.4
73.02946	0.5
73.04066	1.3
81.03472	0.9
83.05022	2.5
87.05618	0.6
96.00915	2.1
99.08179	2.0
101.02525	0.5
109.02969	1.7
109.06604	0.5
111.08168	1.0
113.03596	1.7
113.09749	0.6
114.09232	3.0
115.05118	0.5
130.08749	7.1
135.04523	0.8
139.11302	1.1
140.10838	0.8
147.04573	0.5
152.07170	0.9
155.14435	0.6
156.13942	0.7
169.12331	1.2
182.08273	0.6
183.13942	5.1
187.04028	1.3
196.70602	0.4
197.15503	0.8
197.19118	0.7
199.18192	2.9
205.79396	0.4
207.17487	0.7
223.17033	0.8
225.16397	0.7
225.18651	2.9
235.17026	1.9
241.11734	0.5
243.17175	1.1
256.20200	2.1
259.56592	0.4
260.34543	0.4
262.04337	0.7
263.05640	1.2
263.20209	0.7
264.62128	0.5
279.12213	0.4
306.24426	1.9
308.26019	3.2
310.23889	0.7
324.25543	0.8
326.27002	11.2
327.27390	1.7
328.18753	1.1
337.17938	0.5
342.20410	4.3
343.20728	0.8
354.20465	1.7
354.26642	0.5
372.27591	100.0
373.27975	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	373.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77048	1.4
58.02968	1.9
59.01384	17.3
65.00356	1.4
65.03983	2.8
67.01907	2.6
68.99800	2.9
69.03470	7.6
70.23344	5.6
71.01382	13.4
72.99305	4.8
73.04073	16.3
74.02477	32.3
79.01900	31.1
81.03463	79.6
82.03813	1.5
84.04578	2.6
85.02953	2.3
87.05634	2.4
88.04047	2.0
89.02433	10.5
93.03474	2.6
95.01392	3.0
97.02975	5.3
97.77338	1.4
99.00903	5.4
102.05606	8.8
103.05153	8.0
104.03562	3.0
105.03476	5.9
106.06627	7.9
107.01414	10.5
108.02196	1.8
109.02969	76.7
110.03279	2.3
112.02829	1.7
113.02500	2.5
113.03550	2.0
114.05620	2.5
115.00417	2.1
115.08773	6.1
116.07219	1.6
117.01976	2.5
121.02959	5.0
122.03775	2.9
123.00901	3.4
123.04533	2.6
124.01685	2.8
124.07687	5.7
125.01533	2.6
125.02467	51.7
128.03568	13.7
129.10353	19.7
130.08734	7.8
131.03516	3.3
131.04539	1.5
131.09099	1.9
133.02966	4.9
134.03735	2.7
134.88907	1.6
135.00899	6.6
135.04533	24.1
137.02467	4.3
139.08775	3.4
141.10295	3.2
143.11917	5.3
146.04613	4.0
147.04544	4.4
148.05342	2.0
149.02467	10.0
149.06082	2.9
151.00356	11.1
152.01172	2.5
153.01962	17.7
153.10370	1.6
155.08304	3.6
155.12018	2.1
164.08444	1.9
165.01976	3.4
166.08788	2.7
168.06689	13.2
168.13823	1.6
169.09818	5.0
171.15067	2.1
172.11064	1.5
173.09279	4.2
175.03996	1.8
178.99963	1.6
179.03508	9.7
186.12462	2.3
187.10939	1.7
193.01422	17.1
193.05031	2.3
194.11781	2.2
197.00902	5.6
200.13954	2.5
210.07684	2.5
211.02461	3.8
211.07574	2.0
211.14656	2.0
221.06300	1.5
222.98811	5.9
223.10979	2.2
224.04788	1.7
225.04091	6.4
225.16023	2.5
239.07019	3.9
242.05779	1.9
242.18787	18.5
243.17055	5.4
243.19246	1.8
244.17557	2.7
253.03490	3.5
254.18903	2.6
267.06653	5.8
270.08847	3.4
285.06110	4.1
285.11307	19.3
286.14557	1.9
286.17776	2.4
299.20972	4.3
308.45374	1.6
311.20816	3.8
320.05847	1.5
329.05203	5.9
337.05634	2.3
343.19876	23.3
355.19812	5.9
372.21484	6.2
372.26660	2.0
373.04153	100.0
373.20944	46.3
374.04453	9.1
374.21387	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	373.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74537	0.6
58.00589	0.6
59.01386	7.4
65.81318	0.6
69.15540	1.2
69.15944	4.7
71.01385	4.8
71.15578	0.6
73.04060	1.4
74.02474	2.7
79.01904	4.3
79.15888	0.6
79.64410	0.6
80.02692	0.9
81.03460	4.5
84.04555	1.6
87.05642	0.8
89.02448	2.0
91.01946	1.0
93.03449	1.9
95.01421	1.0
99.00984	0.7
101.02457	1.1
102.05623	3.6
103.05948	0.8
104.03558	1.1
105.03475	2.9
107.01428	2.1
108.02223	0.7
109.02973	7.7
115.08784	2.8
119.03526	0.8
121.02975	17.9
122.03762	1.4
123.04545	3.5
124.01649	1.3
125.02448	2.9
127.05180	0.7
128.03560	5.9
129.03880	2.2
129.10352	2.3
130.08728	2.0
131.08226	0.6
133.02951	2.0
134.03822	0.9
135.04538	8.6
137.02470	1.6
141.10382	0.9
144.07771	0.9
146.04640	1.3
147.00912	10.8
148.01683	6.0
149.02461	35.5
150.02788	2.2
151.00316	1.6
153.01891	0.8
154.02802	0.9
155.11942	0.8
159.04555	0.7
161.06010	1.1
165.01897	0.8
168.06674	1.7
171.15015	0.9
175.00385	10.6
178.02623	0.9
179.03455	3.5
185.71910	0.6
193.01433	100.0
194.01836	4.5
195.08360	0.7
197.06119	0.7
200.13916	0.7
211.02487	3.1
211.07706	1.8
213.09282	0.7
221.06265	0.9
222.98917	0.9
223.07632	1.3
224.04797	1.3
224.11208	0.7
225.03964	0.9
225.13612	0.7
226.16490	1.1
238.06320	1.2
239.07178	2.3
242.05856	1.3
242.18745	1.0
243.14699	1.4
243.17058	1.7
244.17482	2.0
255.06651	1.2
257.08038	0.9
266.05771	0.8
267.06686	6.3
270.09064	0.8
285.07974	1.5
285.11353	8.2
286.11469	1.0
329.22870	1.3
343.16183	1.6
343.19940	2.8
344.20245	0.7
372.21518	1.2
373.03644	6.0
373.08084	5.9
373.17172	1.0
373.21518	7.8
374.07501	2.9
374.17612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.1
71.13454	1.6
73.97948	0.7
74.02468	2.1
80.05073	0.8
87.05633	1.2
100.39434	0.8
102.27008	0.8
105.03439	0.8
108.02218	4.1
109.02962	14.2
114.05645	1.0
115.00362	6.0
119.98665	0.7
121.02993	2.3
122.03751	19.8
123.04456	1.3
124.01685	12.6
128.03555	1.0
129.10406	0.9
130.08769	6.8
131.09105	2.8
133.02971	30.3
134.03696	2.4
135.04544	14.1
137.02483	4.0
140.07124	1.1
143.11949	0.8
146.03738	2.6
146.75507	0.8
147.04541	12.4
148.05383	5.7
149.02483	1.5
153.01953	0.9
154.02754	4.3
159.04552	1.1
160.05305	1.2
161.06107	9.2
162.06433	1.2
163.04007	2.2
169.09837	0.9
179.03532	4.8
180.10361	2.6
181.10614	1.3
187.04079	1.0
191.65134	0.9
192.99803	0.8
193.01385	3.3
193.05101	2.2
200.13977	0.8
211.02522	1.8
213.05588	2.5
241.05139	4.9
242.05887	13.6
243.06084	0.8
251.07057	0.8
254.05865	1.2
255.06581	2.8
256.07224	0.8
257.08273	5.6
258.08563	0.7
268.07376	1.3
269.08218	4.7
270.09015	15.5
270.11969	0.9
271.09262	1.2
283.09711	1.0
285.11356	100.0
286.11673	8.8
301.06186	0.7
329.10413	1.5
355.20853	1.9
372.21475	1.0
373.09406	8.4
373.21936	6.6
374.21454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1298
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
59.01369	2.0
61.98835	5.1
70.61040	3.6
72.02946	1.8
73.94630	1.9
81.65467	1.8
84.40289	1.8
90.89137	1.7
101.29570	1.9
121.02930	2.4
135.04521	6.8
139.04745	2.0
145.02979	2.3
147.04552	10.1
148.05336	39.4
149.06046	6.8
150.03275	4.4
160.05310	44.3
161.06113	36.2
162.03264	18.2
162.06744	3.2
163.04027	25.7
175.07681	5.3
177.05571	9.5
178.06395	3.0
180.04297	17.7
191.03513	3.9
194.05844	3.3
204.04289	23.3
205.05081	44.1
206.05522	3.5
207.03011	3.8
210.12244	2.2
214.48441	2.2
215.96031	4.1
219.06639	11.5
221.04628	4.9
224.03249	7.8
235.07739	2.5
246.43987	2.3
254.04305	7.9
263.07318	2.6
277.08966	2.3
281.08157	18.2
284.10574	7.0
296.10648	13.4
299.12906	24.8
300.13303	2.3
311.12897	17.0
312.13147	2.8
314.11758	4.2
315.97055	2.0
324.75159	1.9
329.13968	100.0
330.14331	13.0
333.55554	2.4
355.11902	6.5
373.12952	73.4
374.13315	8.7
374.25494	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17160	1.1
51.35749	0.9
57.03452	5.9
59.01390	1.5
67.02323	0.9
67.11694	0.9
69.03892	9.8
71.01375	0.9
78.90163	0.8
80.02691	0.9
80.96568	1.2
87.00883	100.0
88.01248	0.9
98.03764	1.4
99.04526	2.0
111.08157	2.9
113.09743	14.9
114.10134	1.3
124.01662	18.6
124.02529	1.6
125.02464	13.2
125.09684	4.5
130.99878	2.8
135.08162	3.9
153.09221	2.7
208.60812	1.0
239.20197	2.7
267.19690	5.0
269.17572	10.1
293.17590	49.7
294.17950	4.1
311.18762	1.5
316.37085	1.0
325.11292	0.9
355.17581	1.5
373.18729	30.0
373.25729	1.5
374.18918	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	373.1871
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
59.01388	5.0
61.85368	0.6
65.14343	0.5
71.01378	4.2
75.00885	0.8
81.19622	0.5
84.51766	0.5
85.02956	2.4
89.02440	1.5
96.96014	1.2
101.02440	2.1
113.02452	4.7
119.03526	0.9
142.05136	3.1
149.16638	0.6
163.07655	0.6
183.13878	6.3
193.12347	1.9
211.13405	100.0
212.13692	6.5
212.15495	0.6
225.15001	1.9
228.86180	0.7
253.14470	1.1
265.14557	1.3
323.40817	0.6
348.84528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51315	4.9
57.53077	4.4
59.01379	12.9
59.78114	4.5
61.98834	9.7
63.33079	5.1
70.02288	16.7
82.16702	5.0
164.83618	4.1
165.12849	20.4
171.97078	6.4
189.84996	4.4
199.98785	6.8
215.95972	7.5
244.10902	5.5
247.20679	7.6
273.18597	4.8
291.19666	100.0
292.19992	13.9
313.17877	16.9
373.20004	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
58.10206	2.5
59.01379	19.8
61.98820	5.9
68.99802	2.4
69.03435	8.7
69.15389	5.7
69.15801	13.2
71.01386	25.7
71.11024	1.8
72.00896	4.0
72.99300	2.1
73.02932	4.2
73.04077	24.3
74.02477	57.8
77.03985	1.9
78.84806	2.1
79.01897	45.8
80.02225	1.9
81.03461	41.2
85.02947	7.3
86.02496	6.1
87.05637	2.5
89.02452	12.8
89.02936	2.2
93.03451	5.8
95.01392	5.8
97.02950	5.2
98.21793	3.7
99.00877	6.6
101.02448	7.8
102.05595	4.5
104.03551	35.0
105.03408	3.8
107.01396	16.8
109.02951	42.5
112.02762	7.0
113.02460	5.0
115.00342	4.5
115.08779	74.3
116.07175	2.5
117.01945	3.0
121.02971	10.5
123.00908	5.0
123.04537	5.5
125.02440	22.9
125.03402	2.4
125.07193	4.8
127.08755	4.2
128.03561	5.8
129.10376	16.2
130.08720	7.7
131.03545	2.1
133.02968	3.4
134.03708	2.8
135.00891	6.5
135.04558	17.5
136.01587	2.3
137.02432	12.5
139.08771	6.2
141.01929	2.0
141.10373	12.4
143.11920	13.8
146.04645	2.5
146.70041	2.0
147.00865	4.2
148.01715	2.7
149.02448	22.9
150.02757	2.3
151.00386	15.4
151.03983	6.0
152.01216	2.9
153.01976	13.3
153.09076	3.0
153.10367	3.7
154.09824	2.0
155.08298	15.3
155.11894	20.4
161.04549	8.7
165.01974	2.6
168.11415	3.4
169.09853	7.9
172.10921	17.8
173.09309	5.4
175.00371	7.0
175.04163	2.3
178.99883	4.0
179.03461	5.7
181.08691	13.1
186.12477	8.2
187.10846	3.8
192.99760	3.5
193.01440	47.3
193.05069	4.4
194.01727	4.3
195.02899	1.9
200.14098	9.5
210.12515	4.2
211.06107	2.1
211.14581	4.1
222.98839	5.8
224.04688	2.2
224.17645	3.9
225.04042	3.2
228.13454	2.1
242.05814	3.6
242.18718	13.7
243.14665	2.9
253.03639	2.6
254.18631	5.3
267.06604	6.6
267.09482	2.0
268.16629	4.8
270.08948	4.0
285.11304	17.7
286.11722	3.2
286.17706	7.7
299.20877	8.2
304.30917	2.1
311.20895	23.0
312.21344	2.5
329.05103	6.7
329.21884	3.0
343.16663	2.9
343.19855	70.6
344.20215	7.1
355.19897	4.3
373.04117	59.2
373.08139	3.9
373.20908	100.0
374.04236	7.1
374.15652	3.8
374.21176	9.4
374.80127	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78318	1.3
58.02981	2.5
59.01366	4.9
69.03467	1.8
71.01371	5.0
71.02492	1.7
71.32056	2.5
72.99289	1.9
73.04077	30.4
74.02481	83.4
75.02811	1.4
79.01898	5.4
81.03465	15.0
85.04082	5.9
87.05649	3.1
88.04079	1.5
89.02454	2.4
93.03480	2.7
103.05141	23.4
104.03557	7.1
105.03494	6.1
106.06692	1.9
109.02968	17.9
112.02810	6.5
112.07722	1.6
113.03611	2.0
115.00395	2.6
115.08774	4.0
116.07210	2.3
116.35951	1.5
121.02963	3.1
122.03768	2.6
122.08369	1.3
123.04591	1.7
125.02475	10.5
125.03290	2.3
126.05632	3.4
128.03577	1.8
129.10355	40.2
129.11320	2.4
130.08717	3.1
133.02951	4.7
134.03696	1.8
135.04541	16.7
137.02429	3.2
139.08798	6.1
141.10402	7.5
143.11896	3.1
147.04514	1.7
149.02441	8.2
149.06165	2.2
151.00398	1.7
153.01923	4.4
153.10350	1.6
155.08250	6.6
161.05997	1.7
167.15584	1.5
168.06674	2.2
169.09866	9.7
173.09305	9.4
174.09753	1.4
175.00348	1.8
179.03519	5.1
181.13528	2.5
183.08043	1.6
183.15015	4.7
185.16531	2.0
186.12434	7.2
193.01419	20.5
193.05006	1.8
193.06613	1.7
194.11841	5.5
195.08266	2.2
196.05272	2.9
197.06055	2.3
200.14082	2.8
207.12207	1.6
207.15105	1.7
208.05327	1.7
209.06151	2.1
211.02483	4.2
211.07660	5.5
211.14517	4.5
213.09210	2.4
221.06116	4.4
222.06859	1.8
223.07689	2.8
224.04823	3.6
224.17586	2.2
225.13612	2.5
231.12016	1.6
238.06378	2.4
239.07158	8.1
241.08815	2.4
242.05815	3.0
242.18768	45.2
243.19147	2.4
250.06422	1.6
254.18684	2.1
257.08133	1.6
267.06644	21.0
268.07138	2.3
268.16608	1.4
270.08932	2.8
285.07678	5.9
285.11331	16.7
286.11581	1.7
286.17755	2.4
299.20901	10.6
309.40689	1.3
311.20923	4.8
343.19858	46.7
344.20239	4.9
355.19965	11.3
373.04065	15.8
373.08075	2.0
373.20953	100.0
374.21310	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	374.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
60.70089	3.4
69.90607	15.9
82.02985	6.8
87.92551	4.3
110.02491	48.2
111.02007	16.8
126.67335	3.5
130.08746	79.6
140.03564	6.2
152.03531	6.5
153.03023	6.1
182.13116	3.8
200.05640	18.8
243.06215	100.0
374.09988	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	374.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.5
61.98842	0.3
63.08077	0.3
69.66748	1.2
69.67159	0.6
75.85011	0.3
77.35059	0.3
90.18875	0.3
96.40414	0.3
96.58726	0.3
101.06095	1.1
110.42465	0.3
124.07699	0.4
165.10411	0.4
174.99222	0.6
189.10352	0.6
215.96014	0.6
217.00357	2.7
220.93005	0.6
232.10939	10.5
233.11305	0.6
242.39087	0.4
243.09619	0.3
276.09958	0.4
289.18027	1.6
290.18759	3.0
316.16721	1.3
331.15390	0.5
358.21396	1.1
374.24500	100.0
375.24814	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	375.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09591	1.2
55.01865	3.9
61.16314	1.2
65.03967	7.0
65.82639	1.2
67.01881	2.1
68.85772	1.2
70.36777	2.4
70.37167	2.5
81.03468	3.9
91.05533	5.1
93.02879	2.4
93.03463	48.3
95.01379	1.7
95.61800	1.2
99.00883	13.6
107.05025	8.7
108.02176	2.4
109.02962	1.6
111.00881	2.4
115.05539	5.7
117.07100	2.9
119.05034	6.5
121.02935	2.7
125.02457	5.3
128.06334	1.7
129.07115	4.2
130.04239	7.2
131.04997	2.5
137.02461	13.0
141.07083	1.9
143.04999	5.3
143.08656	2.9
145.06596	18.5
151.03947	4.3
153.07060	1.5
155.08699	10.5
156.05817	7.6
157.06551	5.0
158.03697	3.1
169.06593	10.7
171.08160	25.0
172.08537	1.4
181.06624	7.6
183.04555	2.4
184.05287	5.3
187.03998	2.7
189.05547	7.6
197.06093	3.9
199.07655	45.2
200.08002	4.6
201.05661	1.4
215.07155	3.5
233.04480	1.6
243.06639	33.5
244.06995	3.2
287.05670	16.3
288.06046	2.0
297.19818	1.4
331.04660	10.2
351.67896	1.5
375.03583	100.0
376.04004	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32553	1.3
70.54242	3.8
71.01402	1.5
75.83723	1.3
77.03960	3.7
82.69177	1.2
89.03936	1.3
95.05056	5.2
97.03009	1.5
105.03471	20.6
119.05055	1.6
121.02954	1.5
123.04533	2.6
133.02972	100.0
134.03329	3.0
135.40892	1.2
151.04027	2.6
162.82050	1.5
163.07199	1.2
177.01955	54.8
178.02280	2.3
201.17288	1.2
225.91988	1.2
269.08084	1.5
375.17300	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	375.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
71.01391	3.0
71.32031	0.9
73.04065	0.6
74.02481	0.5
85.02962	1.2
89.02473	2.0
97.47603	0.5
101.02458	2.1
105.03467	1.4
109.03013	0.6
113.02464	0.8
113.03579	0.8
113.19613	0.4
114.05584	1.3
117.50143	0.5
119.03506	1.2
120.97066	0.4
123.04528	1.1
130.08754	2.2
133.02968	1.3
134.03833	0.4
135.04533	1.2
144.08173	2.3
146.97757	0.4
149.02484	1.3
151.04031	0.9
165.05603	0.9
166.08765	0.7
167.95653	0.5
169.07716	1.2
177.01971	0.7
177.09245	0.5
179.03506	1.2
184.08792	3.0
185.07263	0.5
193.01486	2.6
196.01276	0.6
197.02068	0.8
197.05962	2.1
198.06776	2.7
200.07133	0.6
209.27313	0.5
211.02522	1.3
212.08325	23.6
213.01573	0.9
213.08595	1.2
229.04869	0.5
233.83801	0.5
240.06540	3.0
241.07306	11.4
242.07634	0.6
249.12424	0.5
255.08897	100.0
256.09222	8.8
257.10638	0.5
261.12576	0.5
272.05676	0.5
341.11847	5.7
357.15637	1.1
358.14334	2.1
375.07230	2.3
375.12408	3.3
375.17065	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	375.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14005	1.2
59.01375	9.8
69.53709	7.1
71.01391	9.5
71.86090	1.3
99.92600	8.7
115.92080	3.0
126.23425	1.3
127.15800	1.3
138.92284	1.2
164.08356	1.8
174.99234	2.8
177.09221	4.5
190.10078	3.1
192.11642	6.4
195.72893	1.3
205.12389	2.8
207.13910	2.2
217.00343	12.4
218.09409	1.9
220.14696	43.1
221.15463	100.0
222.15836	7.5
229.16003	3.4
231.17386	1.9
235.13304	1.8
236.10550	84.1
237.10872	7.2
252.47406	1.4
264.08685	2.0
293.17621	36.4
294.17911	4.5
318.09650	6.7
321.15695	2.0
358.08774	8.3
375.17920	7.5
376.18253	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	375.1818
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
59.01387	1.9
59.91106	0.3
61.20433	0.3
61.98829	0.5
81.87568	0.3
87.31927	0.3
93.00382	0.3
105.03465	0.5
107.05010	0.3
117.03489	1.1
123.04493	0.4
132.02229	0.9
133.02979	20.5
134.03783	2.0
135.04549	22.0
135.72144	0.3
136.04906	1.2
142.38458	0.3
148.05353	0.4
149.94702	0.3
161.02467	100.0
162.02797	4.4
174.99284	0.9
179.02190	0.3
179.03516	7.7
183.13936	2.2
195.13916	2.0
213.14966	7.8
214.15297	0.8
217.00340	2.3
357.17215	1.5
361.79590	0.3
375.18173	28.7
376.18423	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	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47291	0.8
51.91367	0.8
52.91611	0.8
57.19403	0.9
59.51097	0.9
60.29662	0.8
69.27335	6.1
74.99083	4.0
92.17102	0.8
93.00165	1.0
104.66474	0.9
143.05377	1.5
159.08473	13.7
161.06424	3.7
187.21440	0.9
187.53450	0.8
209.01222	3.2
217.07249	2.2
231.60141	0.9
275.06018	2.0
276.91653	1.0
277.07605	3.7
289.07571	3.4
291.09134	97.7
292.09271	13.2
309.10275	0.9
357.13693	3.0
359.15390	100.0
360.15576	17.6
375.18677	5.8
377.16574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60982	7.5
59.01369	16.4
60.69610	8.5
62.75289	6.7
64.96341	7.7
66.55535	7.8
68.48204	7.8
69.13816	36.1
69.14244	35.7
69.75885	7.2
75.00835	7.9
98.22532	15.9
138.28424	7.8
277.21713	100.0
278.22241	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.8
59.01386	50.6
71.01389	30.5
71.33592	1.8
72.99314	4.0
73.02953	2.5
74.02478	1.8
85.02955	6.7
87.00896	2.1
89.02447	24.2
95.01416	2.5
98.77691	1.8
101.02457	16.4
106.04239	2.5
110.74136	1.8
113.02492	9.4
117.71844	1.7
119.03521	8.1
174.99127	2.3
195.13927	11.3
213.14954	13.1
217.00333	9.5
217.57751	1.9
275.20007	2.4
375.20267	100.0
375.27521	6.6
376.20746	10.6
376.28491	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12849	2.1
54.92953	1.9
55.59605	1.8
57.03458	1.8
59.01386	12.1
61.98836	3.0
69.83990	1.7
74.19271	2.0
81.86384	1.7
87.00887	100.0
88.94615	1.5
124.01743	2.5
130.99886	2.2
153.61874	1.7
209.19189	2.9
217.00375	12.5
223.20718	2.9
225.18631	6.5
227.20175	5.2
229.24803	2.1
239.20164	4.1
241.21759	23.2
251.20178	5.6
259.68652	2.0
269.21259	10.3
271.19135	12.3
295.19165	60.1
296.19476	4.4
375.03592	2.3
375.20224	44.7
375.27405	3.7
376.20444	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2182
Annotation	Resolvin D2
Peak:m/z	Relative Intensity
57.03453	1.8
59.01391	6.4
61.26258	0.6
62.60798	0.7
69.03453	1.6
69.61372	3.2
69.61799	1.3
75.00885	0.9
81.03451	1.1
83.01389	1.8
85.02959	1.9
89.47741	0.7
98.21854	1.5
108.02201	3.0
109.02954	2.8
113.02456	2.7
121.02971	3.2
124.01678	1.3
133.02895	1.2
134.03743	3.5
135.04556	1.1
137.02451	2.2
138.03217	3.0
160.98764	0.8
161.02426	2.2
170.02275	0.9
174.99258	1.5
200.03273	1.7
215.19592	0.8
217.00330	5.6
315.19693	2.9
317.21039	1.3
318.77911	0.8
327.19806	1.3
345.20767	5.6
375.21793	100.0
376.22134	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	376.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
57.03428	2.3
57.99989	1.8
59.01389	16.4
66.03487	5.5
69.03465	52.2
70.93776	3.4
71.01389	24.6
73.02967	3.2
78.95919	4.2
83.01384	4.1
85.02959	5.2
87.00884	3.0
89.02471	9.7
89.51648	2.0
95.01398	4.0
95.33574	2.0
98.00101	2.2
101.02464	15.0
102.97655	1.7
108.04572	61.3
109.02940	3.4
110.02505	6.3
112.69621	1.7
113.02466	100.0
114.02818	2.8
119.03523	5.9
119.64476	1.6
125.02465	36.5
125.99568	4.4
126.02837	1.8
126.05627	12.8
130.08737	2.6
134.02499	61.8
136.00435	2.8
152.03560	19.0
153.00725	3.0
157.01439	12.2
161.04590	17.7
179.05684	2.2
188.05650	3.3
194.04562	1.9
214.38269	1.8
214.92636	2.2
295.90366	2.0
314.08878	6.9
316.06808	7.0
332.09848	4.8
345.79791	2.1
376.08948	40.3
377.10349	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	376.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
59.01387	16.1
66.03489	4.7
69.03465	46.6
69.67719	8.1
71.01390	22.3
73.02933	4.5
85.02964	7.9
87.00878	1.4
89.02457	12.8
89.82695	1.5
95.01398	4.2
97.02946	1.8
98.21917	2.5
101.02453	15.4
108.04575	65.5
109.02998	2.5
109.04862	2.0
110.02481	5.6
113.02468	100.0
114.02822	2.2
119.03511	7.7
123.04506	1.5
125.02477	34.9
125.99583	3.6
126.04882	1.8
126.05629	19.0
134.02507	65.9
135.02831	2.2
136.00400	1.4
139.00349	3.6
152.03552	30.7
153.00684	4.0
157.01448	13.2
159.03047	2.1
161.04570	20.9
170.04617	2.2
179.05479	1.6
183.69835	1.4
188.05649	4.6
194.04364	1.5
194.41299	1.5
244.73682	1.4
272.07800	1.8
314.08832	10.1
316.06815	8.1
332.09946	7.5
341.10986	2.4
376.08871	55.6
376.23575	1.9
377.09088	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.4
59.01385	19.0
59.56353	1.7
66.03476	7.6
66.32236	1.9
69.03461	48.2
69.66728	1.8
69.67276	10.7
71.01382	23.3
73.02966	3.2
83.01395	2.3
85.02966	6.8
87.00899	2.9
89.02470	12.3
95.01402	5.0
99.00912	3.4
101.02451	13.7
108.04566	65.2
109.02950	5.2
110.02503	6.1
113.02458	100.0
114.02769	3.1
119.03466	7.2
125.02453	38.5
125.99606	3.4
126.05626	16.2
134.02496	62.1
136.00334	2.8
139.00301	2.6
143.03537	2.3
152.03566	21.4
157.01447	13.5
161.04582	19.2
170.04611	3.2
179.05640	3.4
188.05690	3.9
193.45514	2.0
272.07834	4.3
314.08881	14.6
316.06784	8.3
332.09830	8.2
376.08862	51.4
377.08975	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	376.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
57.03405	1.6
59.01127	1.6
59.01390	18.5
61.98819	1.5
64.01907	1.9
64.91681	1.5
66.03493	8.0
69.03464	51.4
70.93637	2.8
71.01389	28.7
73.02970	3.5
78.95901	1.5
80.19891	1.4
81.03465	2.0
85.02951	6.7
89.02461	14.3
90.03449	2.0
95.01403	3.7
97.02934	2.0
101.02458	13.7
103.77100	1.5
104.00767	1.5
108.04574	56.1
109.02967	6.6
110.02470	5.1
113.02464	100.0
114.02806	2.9
119.03520	8.3
125.02460	31.0
125.99598	3.5
126.05642	10.8
134.02501	66.3
135.02811	3.2
135.04498	5.2
136.00443	3.6
139.00359	3.3
143.03462	2.9
148.87489	1.8
148.88646	1.5
152.03555	18.1
153.00700	3.0
153.03922	1.7
157.01456	12.9
161.04587	20.9
164.45157	1.4
179.05591	3.4
179.10670	1.5
188.05658	3.7
245.11894	1.8
296.92627	1.5
314.08969	10.9
316.06747	8.7
324.22842	1.8
332.09991	5.0
376.08899	40.6
377.08969	5.7
378.13321	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	376.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44406	1.0
54.15004	1.1
58.60456	1.1
59.01378	5.0
61.85945	1.1
70.02988	1.8
71.01389	1.7
71.32777	1.7
73.04104	1.6
80.76633	1.2
81.02169	2.9
82.02995	1.2
96.00926	14.3
97.94383	1.2
98.02485	9.1
109.01656	1.7
109.04070	1.2
110.02482	1.8
111.04527	1.6
113.03573	9.2
114.01997	2.5
115.08756	1.8
130.08745	46.9
131.09085	2.1
134.02481	1.5
136.04007	6.1
138.05592	7.5
138.09261	12.8
147.04543	2.9
156.06740	1.8
158.02713	2.3
164.07169	4.5
166.08777	2.4
184.04324	11.2
192.03185	1.1
195.11362	2.8
197.02049	1.3
197.05676	1.6
200.07254	1.9
203.11919	3.3
205.13516	2.8
210.07729	1.5
211.12029	1.4
213.01514	1.4
227.04953	2.8
231.11414	2.8
243.11714	9.4
244.07179	1.3
249.12477	5.2
253.13808	3.6
261.12735	5.8
279.11746	5.0
297.12704	2.6
341.11755	100.0
342.12109	9.7
358.14441	30.9
358.18283	1.1
359.14670	3.5
376.06854	6.0
376.15503	4.3
376.27121	3.3
377.18317	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	376.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75713	0.8
58.02979	19.0
59.01368	1.7
69.19437	5.7
69.19846	1.9
71.01311	0.8
74.02477	88.6
75.02794	1.4
82.06608	2.1
85.04063	4.5
90.44746	0.8
90.45257	0.9
112.02794	1.5
112.07674	4.8
113.03580	2.5
116.05074	26.8
117.05451	1.4
125.03564	2.4
129.10349	99.4
130.10709	4.3
147.04564	1.5
153.10356	2.9
154.08737	1.6
160.07698	17.9
161.07999	1.2
164.07225	0.8
166.06059	1.0
171.11401	45.4
172.11748	1.4
174.05614	3.1
186.05595	2.7
198.12775	1.6
204.06619	4.9
215.13016	1.4
221.09357	8.7
242.11885	51.7
243.12213	4.0
290.18799	3.4
301.15613	12.2
302.15939	1.0
332.19839	7.3
333.20273	1.1
334.17868	1.6
352.72803	0.8
376.18787	100.0
377.19162	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
65.03940	0.7
66.02135	0.6
66.03458	0.6
69.03447	0.7
69.35936	5.0
71.01367	1.3
72.00900	3.4
73.02923	0.9
73.24317	0.6
81.03429	0.8
82.06613	2.6
91.05526	2.3
93.03467	3.3
94.03811	1.7
98.06109	0.8
99.00896	1.4
100.01244	0.9
101.02440	1.5
107.05054	0.9
113.02468	1.0
115.08780	32.6
116.07196	3.8
116.09126	0.9
118.06633	2.7
124.79977	0.8
125.07195	5.1
129.10356	8.0
130.08748	45.4
131.05038	2.9
131.09102	1.6
135.04541	0.9
137.02437	1.2
141.10382	0.8
145.06607	1.4
146.07027	0.8
147.04536	17.2
148.04924	1.2
156.09047	0.7
164.07169	49.6
165.07523	2.9
167.10713	0.7
171.08200	1.2
172.08463	2.2
175.08672	0.8
181.13503	2.6
183.14958	3.2
183.84207	0.7
185.11562	0.9
185.16553	0.7
199.07671	1.9
200.08049	3.7
202.12355	1.4
204.87849	0.6
210.16113	2.9
211.14584	7.4
216.13933	7.9
219.15051	6.4
228.17172	30.1
229.17236	1.1
233.16635	1.2
244.06871	2.1
245.12990	8.5
260.12985	0.8
261.87415	0.7
288.05814	1.4
289.82193	0.7
300.85666	0.7
317.16293	0.7
327.75427	0.8
332.23410	9.3
333.23767	1.0
359.15024	1.0
376.03937	9.9
376.22430	100.0
377.04239	1.1
377.22693	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	376.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
63.22126	0.6
66.03496	0.8
71.01369	0.9
71.02513	1.7
83.42989	0.7
98.21791	1.4
112.07698	1.8
116.07195	100.0
117.07504	2.0
129.10365	50.0
130.10704	1.8
131.05037	4.4
139.08792	8.4
147.04532	1.2
155.08325	1.3
177.48064	0.6
202.12413	24.1
203.12769	1.7
244.06912	0.9
246.11388	2.7
259.14532	19.2
260.14880	2.1
263.14029	1.2
376.03992	1.3
376.22461	81.0
376.30612	2.4
377.22702	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	377.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94345	13.6
61.98828	32.9
69.41310	100.0
90.58732	13.2
91.94686	14.9
117.01290	15.8
131.84850	13.3
151.85954	14.7
212.42589	13.2
230.33043	15.9
244.12308	14.3
295.03165	15.2
326.91537	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	377.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23100	17.2
54.41728	15.2
59.01380	31.9
61.98841	32.9
69.55725	100.0
78.79936	18.8
86.26285	19.5
90.52016	17.8
115.73093	17.0
287.23154	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	377.1427
Annotation	Go 6976
Peak:m/z	Relative Intensity
61.98837	4.8
63.05314	3.6
66.99328	3.2
71.01857	8.7
75.85719	2.9
99.92590	84.2
101.87767	3.3
115.92084	40.9
116.92867	100.0
117.92885	6.7
154.29370	3.4
154.79184	3.0
157.92715	3.5
163.46619	3.2
171.61478	3.5
218.86652	3.4
277.21793	10.0
282.47168	4.6
373.11334	5.8
377.14297	29.1
389.74295	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30427	1.1
58.02966	1.3
59.01381	5.7
63.07563	0.9
66.49321	1.0
66.99697	0.9
69.30460	9.1
70.84927	1.1
71.01384	1.9
71.02512	3.2
72.00901	4.5
72.05386	1.0
73.04078	7.8
74.02474	2.7
89.47546	1.2
91.05518	5.8
96.00916	5.3
98.02450	5.5
98.21729	1.5
101.02406	2.2
104.36278	1.2
109.01725	1.9
111.01992	2.6
113.03566	12.5
115.08788	20.1
116.07186	13.9
118.06650	1.5
124.07713	1.3
125.03616	1.1
125.07211	4.1
126.05608	5.5
127.08752	1.6
129.10378	1.1
130.06224	1.2
130.08784	2.3
135.04539	11.1
135.68236	1.1
135.89850	1.1
138.05640	1.2
138.81143	1.1
141.06668	2.4
147.04532	19.8
151.08780	9.5
152.07191	2.2
152.08310	5.6
153.06702	3.8
154.09860	1.8
154.12424	1.2
155.08212	1.9
156.13968	5.9
164.07173	52.2
165.07529	2.7
167.08305	1.8
168.11438	1.9
169.09781	2.0
170.09373	2.4
172.10915	7.7
177.10286	4.0
179.03444	1.3
194.09346	4.0
195.07718	5.0
198.11371	2.7
202.07518	1.5
211.12013	6.8
212.10387	4.8
215.14014	3.1
217.13277	1.7
219.15062	18.1
229.13069	4.5
245.12877	1.8
257.15109	16.7
258.15240	1.1
260.10345	4.1
263.13892	5.4
274.15613	4.1
274.24249	1.2
276.17181	1.7
287.16089	1.8
290.18762	1.2
298.15552	2.8
299.13965	1.3
300.14697	1.3
333.19382	4.4
334.17737	4.0
343.12970	13.0
360.15640	21.5
361.16107	2.5
377.18320	100.0
378.18500	11.2
382.30740	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	1.4
59.01382	20.7
67.55400	1.0
69.03448	1.3
69.51939	6.0
85.25530	1.0
95.05049	1.4
135.14977	0.9
135.80894	1.0
151.11264	1.3
158.10576	0.8
171.08804	1.6
171.10275	28.8
172.10597	2.0
197.69009	0.9
249.22156	1.5
265.14746	1.2
277.21729	36.7
278.22171	4.7
295.22800	100.0
296.23114	9.6
317.21014	28.8
318.21396	3.6
333.22986	1.3
361.19931	3.2
377.23019	18.2
378.23212	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	377.2338
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
51.65211	1.2
53.17520	1.0
54.33602	1.1
57.03436	1.5
59.04855	1.1
61.98827	2.8
71.04205	1.3
71.04523	1.7
72.99313	1.1
75.81854	1.2
77.59631	1.0
81.03473	3.0
83.01394	7.8
83.05027	2.4
85.02963	3.1
86.43748	0.9
96.95963	1.2
103.30085	1.0
108.02191	4.1
109.02958	4.0
111.04581	1.2
113.06078	1.1
121.03004	2.0
123.00858	1.0
124.81469	0.9
130.22205	1.1
133.02948	1.3
134.03735	3.2
141.05609	1.2
161.06133	1.1
166.06367	1.8
182.93063	1.1
193.08781	1.4
219.97806	1.2
262.50223	1.0
263.42361	1.2
318.21945	2.1
344.20288	1.1
345.20627	1.5
377.23367	100.0
378.23801	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	378.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.21781	1.3
71.01382	6.6
71.31823	1.6
71.32321	1.6
78.86311	1.3
86.63821	1.3
95.83084	1.7
101.98102	4.6
109.04063	1.4
142.75209	1.4
155.99156	3.3
177.09225	2.3
192.11537	3.7
205.12392	2.3
212.09528	1.7
220.14677	37.0
221.15463	58.8
222.15742	4.9
236.08180	3.1
236.10559	52.2
237.10867	3.6
248.81682	1.5
275.16498	5.7
293.17551	13.4
294.17813	1.7
305.12582	3.4
306.13455	3.6
333.25742	1.6
337.76123	1.6
345.79523	1.5
360.14310	8.3
378.15405	34.4
379.15741	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	378.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79072	1.2
55.33752	1.2
57.03454	6.4
58.32057	1.3
59.01382	17.5
69.89183	3.4
69.89593	2.6
70.02982	2.0
71.01389	7.1
72.00911	4.7
74.02474	1.3
81.02191	4.3
82.02985	2.7
85.02976	1.6
87.05638	2.6
88.03993	1.4
89.02431	6.1
91.05543	2.7
96.00913	7.7
98.02476	10.5
98.22394	2.5
99.04519	4.4
101.02457	5.2
108.03281	1.9
109.01730	3.2
113.02441	2.5
113.03577	12.5
113.07236	2.2
114.01984	2.1
115.08776	10.8
116.05019	1.5
118.06651	2.8
119.03514	1.9
124.02782	4.2
124.07674	3.4
125.02467	3.0
125.07202	1.7
126.05635	4.6
131.04561	1.9
139.08702	1.8
141.06717	5.3
143.04878	1.6
147.04536	17.8
148.04807	1.7
151.08774	14.1
152.06013	2.3
152.07190	31.9
153.06700	3.5
154.12405	1.3
164.07170	45.4
165.07494	1.9
167.08228	2.1
169.09795	4.2
172.07709	2.1
186.12488	2.0
195.07793	7.0
196.06238	2.0
198.11365	2.5
199.06302	2.7
199.13412	4.7
200.07161	2.8
202.12346	1.4
213.08859	2.9
217.10840	1.8
219.14975	1.4
242.08228	1.3
245.12955	5.3
256.08505	6.3
256.13315	2.1
261.27103	1.3
263.13962	9.0
281.13083	2.6
299.14047	15.2
312.82422	1.2
334.17798	2.2
343.12997	100.0
344.09726	1.8
344.13278	9.4
360.15662	35.5
361.14529	4.8
378.16681	17.5
379.20096	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	378.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79072	1.2
55.33752	1.2
57.03454	6.4
58.32057	1.3
59.01382	17.5
69.89183	3.4
69.89593	2.6
70.02982	2.0
71.01389	7.1
72.00911	4.7
74.02474	1.3
81.02191	4.3
82.02985	2.7
85.02976	1.6
87.05638	2.6
88.03993	1.4
89.02431	6.1
91.05543	2.7
96.00913	7.7
98.02476	10.5
98.22394	2.5
99.04519	4.4
101.02457	5.2
108.03281	1.9
109.01730	3.2
113.02441	2.5
113.03577	12.5
113.07236	2.2
114.01984	2.1
115.08776	10.8
116.05019	1.5
118.06651	2.8
119.03514	1.9
124.02782	4.2
124.07674	3.4
125.02467	3.0
125.07202	1.7
126.05635	4.6
131.04561	1.9
139.08702	1.8
141.06717	5.3
143.04878	1.6
147.04536	17.8
148.04807	1.7
151.08774	14.1
152.06013	2.3
152.07190	31.9
153.06700	3.5
154.12405	1.3
164.07170	45.4
165.07494	1.9
167.08228	2.1
169.09795	4.2
172.07709	2.1
186.12488	2.0
195.07793	7.0
196.06238	2.0
198.11365	2.5
199.06302	2.7
199.13412	4.7
200.07161	2.8
202.12346	1.4
213.08859	2.9
217.10840	1.8
219.14975	1.4
242.08228	1.3
245.12955	5.3
256.08505	6.3
256.13315	2.1
261.27103	1.3
263.13962	9.0
281.13083	2.6
299.14047	15.2
312.82422	1.2
334.17798	2.2
343.12997	100.0
344.09726	1.8
344.13278	9.4
360.15662	35.5
361.14529	4.8
378.16681	17.5
379.20096	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	378.2036
Annotation	Ile Thr Phe
Peak:m/z	Relative Intensity
56.18484	0.8
66.75289	0.8
71.02510	1.5
71.15448	0.7
72.00919	5.5
73.04079	27.1
82.06630	1.8
83.02522	5.1
87.05637	1.0
89.02444	1.1
91.05540	7.0
98.92976	0.9
102.99221	0.9
103.05540	0.9
112.07702	1.6
118.05043	0.9
118.06642	1.9
125.63625	0.8
129.10353	23.6
130.08751	36.6
131.05025	2.6
131.09050	0.8
139.08781	3.0
140.07220	4.2
141.10361	3.7
147.04536	24.5
152.10757	0.9
164.07176	62.7
165.07487	3.0
168.11446	7.6
169.09842	9.3
174.05626	0.9
186.12494	58.8
187.12828	2.6
203.08356	4.4
213.12456	6.5
214.12555	1.0
216.13966	8.6
233.16591	13.8
234.16953	1.4
247.11005	4.2
251.76826	0.8
258.96106	0.7
260.13074	0.8
274.76065	0.8
277.15686	4.9
290.18753	9.1
291.19144	0.8
334.17743	48.8
335.18002	5.3
360.19031	1.2
378.20370	100.0
379.20624	12.9
391.90436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17360	0.9
54.64340	1.0
58.22767	1.0
59.01386	10.4
61.98821	1.4
71.01404	1.4
72.00900	4.1
73.02956	1.4
73.03708	1.0
73.04074	12.5
75.31313	0.8
81.47398	0.9
82.66730	1.1
84.00884	1.5
84.17216	1.3
85.02943	1.2
85.80105	1.0
86.95713	0.9
91.05545	2.8
110.02450	1.5
128.32956	1.0
129.10359	12.6
130.08733	1.9
139.08791	4.0
141.10338	2.9
147.04536	17.8
148.04945	1.1
151.08786	1.0
164.07169	49.1
165.07460	2.6
168.11404	4.6
169.09825	15.0
177.10333	4.9
186.12488	64.5
187.12787	2.9
196.14519	2.0
229.68634	1.1
240.13573	1.5
272.16125	4.1
290.18805	5.3
298.24918	0.9
334.17743	100.0
335.18079	9.3
342.23987	2.4
378.20474	6.2
379.19824	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	378.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.4
71.01382	4.7
71.02510	2.6
71.32060	2.1
72.00962	1.3
73.02964	1.8
74.02483	83.8
81.97147	1.2
84.00890	1.2
85.02962	1.9
85.04123	1.9
88.03609	1.1
89.02460	2.9
95.01414	1.1
101.02448	3.6
109.01704	2.5
110.26645	1.2
112.07678	1.3
113.02457	2.3
115.08810	2.9
116.07202	2.5
118.05087	6.2
129.10361	82.9
130.08723	1.1
130.10681	2.9
135.04570	1.8
139.08780	7.8
142.06577	1.2
143.11948	1.6
146.54927	1.2
147.04532	2.6
149.04553	1.1
155.10735	2.1
157.08807	1.4
160.07687	30.2
161.04602	2.4
161.08070	1.4
164.07175	2.4
167.08313	2.7
186.05638	11.6
186.09247	5.6
194.69383	1.1
204.06708	3.1
215.09178	2.1
216.09546	1.5
216.99059	1.9
217.10843	6.4
221.09465	1.3
244.06223	1.6
247.11891	3.2
258.18832	1.1
259.14493	21.1
260.14835	1.5
277.15649	7.5
290.18692	2.8
296.09198	1.2
316.16840	1.5
316.20206	2.5
334.17755	100.0
335.18103	13.1
378.20526	23.5
379.16159	5.7
379.20224	2.4
380.74075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.1
71.36240	2.8
95.53363	1.2
96.96037	2.5
99.92593	70.8
100.92610	3.5
100.93316	1.9
115.92087	33.1
116.92872	100.0
117.92906	5.3
125.00040	1.1
131.56854	1.2
167.22331	1.2
192.64943	1.3
215.05658	1.2
215.44585	1.4
305.21414	1.2
347.26022	2.3
379.15906	17.2
379.28641	13.5
380.16089	4.5
380.28720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	1.9
57.03428	1.0
58.00576	2.2
59.01381	81.2
69.03449	0.8
70.12613	2.6
70.13029	1.5
71.01385	60.2
71.37630	0.8
72.99295	2.6
73.02943	15.1
75.00850	0.7
83.01387	1.7
85.02961	10.3
87.00882	2.4
87.36665	0.9
89.02448	100.0
90.02780	2.8
95.01371	1.5
97.02957	2.2
99.00889	17.9
101.02446	39.1
102.02852	0.9
113.02459	18.0
115.04037	0.9
119.03506	18.6
125.02433	3.9
131.03517	14.5
135.04533	9.7
143.03496	3.3
149.04561	45.8
150.04968	1.0
161.04570	4.1
167.11095	1.1
169.32660	0.8
169.61789	0.8
179.03508	8.7
179.05612	11.3
191.05623	11.5
217.10786	1.0
221.54282	0.9
231.01443	0.9
233.06786	1.1
247.11775	4.5
251.07677	2.5
293.08987	1.1
303.24701	1.0
379.16110	27.8
379.20325	1.9
380.16422	3.9
388.19730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03451	100.0
58.03772	2.1
59.01383	81.1
59.69764	1.1
66.58695	1.2
69.39236	6.0
69.39640	3.4
71.01388	14.7
73.02950	7.8
73.04073	1.7
83.01388	5.1
85.02952	6.1
98.22485	2.4
99.00880	3.1
99.04524	76.8
100.04881	1.8
100.93417	1.2
101.02452	34.6
113.02435	5.6
125.02459	23.1
129.10316	3.0
130.08708	4.4
134.65771	1.3
147.04524	1.9
155.88095	1.3
157.72922	1.3
159.02995	1.5
161.04567	4.6
164.07153	2.2
186.12474	3.2
187.12700	1.5
222.79604	1.2
235.11888	36.5
236.12244	2.0
277.15573	2.3
302.19156	1.3
317.16202	1.4
335.17984	5.3
379.15765	1.5
379.20459	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	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.5
59.01388	43.5
65.20812	5.0
71.01390	97.1
71.39502	8.7
73.02937	36.4
83.01386	7.8
85.02951	41.7
89.02432	30.3
95.40009	4.6
99.00883	16.4
101.02457	51.8
113.02468	32.9
130.08694	9.7
153.24341	5.6
159.02992	13.1
161.04605	43.0
163.60506	4.6
167.76270	5.1
171.70477	4.8
174.05521	5.9
233.06757	6.1
247.11879	78.6
278.81696	5.4
320.04361	6.5
379.16119	100.0
380.16403	10.5
380.22910	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	380.1567
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
57.03440	1.4
58.00582	0.7
59.01386	20.0
69.44574	3.0
69.44980	1.7
71.01391	37.3
71.05022	7.0
72.99313	1.7
73.02943	1.9
73.04086	4.7
74.02464	2.8
83.01424	1.9
83.02508	1.0
85.02959	4.9
88.04047	7.8
89.02449	9.7
95.01374	1.1
96.97644	0.7
99.04514	3.2
101.02444	10.2
102.05623	1.3
103.05252	0.8
104.03587	1.4
113.02445	4.8
115.00363	0.9
116.03513	1.5
116.07195	2.2
119.03487	3.0
125.02400	1.1
126.09157	0.8
128.03545	7.4
128.07178	1.7
129.05573	1.3
135.04539	1.5
146.04626	1.3
146.08249	61.7
147.08543	2.6
154.06195	1.3
161.04553	2.1
168.02798	0.9
200.09338	1.2
203.08240	1.1
218.10300	0.9
220.10893	1.1
221.09319	1.2
237.09508	0.7
251.10411	1.9
260.13071	1.1
308.13547	9.4
336.15549	0.9
343.43652	0.9
350.17041	1.5
362.14581	2.2
380.15561	100.0
381.15878	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	380.9036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18802	0.7
54.29411	0.6
59.01378	0.6
67.35944	0.5
71.01394	1.5
71.30679	0.6
71.31012	0.7
72.99314	100.0
73.99652	1.4
74.57681	0.6
78.95921	1.5
94.92538	0.8
104.00872	0.5
108.90234	1.0
108.93819	0.5
110.89925	1.4
115.00411	1.5
125.34294	0.5
128.95976	1.1
133.01483	3.3
135.00801	0.6
136.98613	0.7
150.18677	0.7
152.95972	30.6
153.96313	1.2
154.99596	0.8
157.03543	4.5
164.92747	1.2
170.97032	28.8
171.97418	1.2
178.97249	0.5
183.01483	5.1
184.94984	1.2
187.02557	0.7
206.93759	0.9
226.93692	0.7
227.00487	5.8
228.00673	1.1
228.92871	0.7
230.92503	0.8
250.93602	1.3
264.91815	0.8
268.94604	0.8
276.89407	3.5
282.92691	6.6
294.90308	1.4
294.97226	1.7
308.91791	0.9
320.88062	2.8
334.89825	1.3
336.98318	1.2
338.89294	23.6
338.96097	2.6
339.89401	1.0
362.89352	5.3
364.87161	1.0
380.90366	34.7
380.97284	2.8
381.90793	1.9
382.88202	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	381.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.4
57.03455	87.9
59.01383	12.0
69.09135	20.4
69.09544	11.5
71.05017	4.0
76.57331	4.0
78.00541	3.2
83.05042	66.5
85.02976	8.8
93.03480	5.0
94.53921	3.2
94.85763	3.5
96.96002	6.2
98.00167	3.8
99.00899	6.0
99.04549	17.3
107.05057	7.6
109.06651	6.2
113.06116	16.7
122.13455	3.7
124.01673	6.3
133.03012	3.5
133.10233	6.9
135.11841	12.1
137.09753	6.8
140.62791	3.1
147.08162	23.8
147.30406	3.4
151.11313	100.0
152.11697	9.2
163.11232	7.3
165.99228	4.2
166.21745	4.0
175.11412	4.2
179.10733	5.0
187.14987	7.2
195.10338	4.8
205.16005	58.1
210.03279	3.2
217.16000	62.6
218.16293	4.0
231.13998	5.9
249.15013	48.8
261.14920	33.8
279.16171	8.6
284.03079	4.0
293.14001	28.8
293.17603	13.1
299.05685	6.2
305.14063	25.5
337.13199	19.1
349.13095	5.7
381.15366	23.6
381.19199	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	381.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	86.7
59.01374	19.1
69.05371	43.2
71.01392	10.2
83.05040	46.2
85.02927	7.1
96.96014	17.0
115.00381	22.8
135.11824	11.9
139.00455	6.1
151.11324	100.0
152.11618	11.0
175.02452	10.5
181.65886	5.1
187.14890	8.8
205.15971	50.5
249.14955	24.8
293.14005	20.2
337.12582	7.3
361.37659	5.8
361.42291	5.5
381.15442	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89547	0.8
55.01887	5.4
56.80931	0.7
57.03436	3.9
58.00573	1.5
58.63205	0.9
59.01382	31.3
64.51453	0.7
65.29104	0.8
69.25354	2.1
69.25768	5.0
71.01388	50.5
72.99291	1.5
73.02947	28.6
81.03448	1.2
83.01385	11.2
83.20802	0.8
85.02953	24.9
86.00091	1.2
87.00883	2.3
89.02442	9.2
95.01387	2.7
97.02952	3.5
98.74545	0.9
99.00883	8.3
101.02448	57.9
102.02788	1.7
111.00866	1.5
113.02449	20.2
114.02761	1.2
115.04018	1.2
122.76565	0.8
124.87553	0.9
125.02444	3.7
129.01935	1.0
131.03508	3.0
135.12109	0.9
143.03506	2.5
149.04572	1.0
159.02989	4.2
161.04568	17.4
169.66833	0.8
233.06654	3.1
249.13441	100.0
250.13750	6.6
313.54074	0.9
363.02115	1.0
381.17654	75.6
382.18011	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.6
56.35246	0.8
57.03437	3.1
58.00582	1.3
59.01385	26.5
61.98829	1.3
69.03463	1.1
69.31751	5.6
71.01386	47.3
72.99306	3.3
73.02952	26.2
75.00844	1.0
83.01396	11.6
85.02957	24.4
85.03478	1.4
86.00094	1.5
87.00879	3.2
87.08160	1.4
89.02458	9.3
95.01377	2.0
97.02943	2.5
99.00880	10.3
101.02450	50.5
111.00886	1.7
113.01723	1.5
113.02460	17.6
115.04039	1.5
124.32313	0.9
125.02450	2.4
125.87352	1.3
129.01976	1.6
131.03473	2.5
143.03488	2.4
149.04552	1.5
151.46402	0.8
157.08684	1.3
157.86290	2.4
159.02980	3.5
161.04564	16.0
178.15556	0.7
185.05843	0.7
191.05612	0.9
217.00383	1.4
233.06631	2.7
249.13449	100.0
250.13794	7.1
290.81406	0.9
293.12411	1.2
346.08572	1.9
381.17673	77.2
382.18011	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10725	0.9
53.87256	1.0
53.99677	0.9
58.93473	1.0
68.52924	1.1
68.82884	0.9
70.51715	3.0
79.08895	1.1
151.07623	1.7
164.08458	1.1
170.05807	5.7
199.13510	1.4
233.19109	2.1
235.20645	1.5
251.20102	4.2
277.18103	90.7
278.18463	11.4
279.19672	26.2
280.19980	3.2
295.19171	100.0
296.19473	10.6
363.25461	15.5
364.25818	1.5
381.26715	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91223	0.5
55.12171	0.5
58.55772	0.5
70.94794	1.2
92.40739	0.5
109.06620	0.8
117.31758	0.6
125.06133	0.6
137.06110	1.1
138.06865	0.7
139.39635	0.6
149.06114	1.0
151.07649	1.7
156.88614	0.6
164.08356	1.1
170.05867	5.0
192.11519	0.9
199.13557	0.8
212.87392	0.7
221.15466	0.8
233.19107	2.3
235.20694	1.8
251.20258	2.7
261.18472	1.4
277.18103	84.2
278.18445	8.5
279.19684	26.0
279.22757	1.3
280.19879	2.9
295.19162	100.0
296.19498	11.4
363.20914	1.1
363.25409	18.2
364.25754	1.6
381.22708	0.6
381.26593	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	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12592	0.6
70.89136	1.6
71.05016	0.9
81.28652	0.7
97.92677	0.8
120.22018	0.8
149.06065	0.7
151.11270	1.2
153.12872	2.7
154.13271	0.7
155.14511	1.2
163.11320	1.6
165.09142	0.9
165.12846	2.5
170.05850	3.8
179.10799	12.7
181.12361	34.3
182.12675	3.1
195.10214	2.2
197.11873	2.5
199.13416	100.0
200.13763	6.5
215.12943	3.0
234.70749	0.7
284.39346	0.8
315.69867	0.8
363.25513	3.1
381.11652	1.4
381.26489	4.6
382.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
69.51131	3.4
69.51535	6.8
71.01402	3.3
75.00865	2.9
77.03963	2.9
78.34512	1.4
87.00858	1.6
89.02499	1.5
95.05049	3.4
105.03474	17.8
115.05611	1.4
123.04552	4.4
132.04553	4.2
133.02974	100.0
134.03300	6.4
147.04578	2.0
149.02409	3.0
158.06133	22.8
161.02489	3.9
177.01941	56.9
177.05475	3.0
178.02289	3.6
202.05118	8.6
206.79102	1.6
220.06204	1.9
221.04486	3.8
250.36800	1.6
382.11523	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	382.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
70.06072	2.4
70.88415	4.7
70.88730	2.4
71.01382	5.3
75.00871	14.2
85.12811	2.2
85.33838	2.4
87.00867	13.2
89.02446	3.0
94.46567	2.8
95.05043	7.6
105.03468	17.6
115.05556	4.2
116.05067	3.0
123.04576	4.0
130.06685	6.5
132.04564	24.9
133.02968	100.0
134.03313	5.2
158.06122	82.4
159.06429	6.0
160.04099	5.8
161.02507	5.0
171.23824	2.6
177.01947	62.5
178.02367	3.7
202.05121	37.9
220.06287	7.1
221.04544	3.5
237.06238	6.1
249.06178	10.4
256.58008	2.8
295.70117	2.6
300.50970	2.7
342.95197	2.9
382.11401	44.4
383.12103	3.7
383.23282	5.2
393.64993	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02645	0.7
59.01385	8.8
59.90680	0.7
62.83540	0.6
70.82213	0.8
70.82516	1.0
71.01392	8.0
72.99332	0.8
73.02969	0.7
75.00880	17.6
82.73089	0.7
84.86872	0.7
85.02961	2.4
87.00883	15.2
89.02460	3.8
101.02476	3.5
113.02451	2.9
115.05531	7.2
116.05068	2.9
117.01945	0.9
119.03487	1.5
128.05031	0.7
130.06624	6.9
132.04562	28.1
144.04588	1.7
146.06111	0.7
157.05339	1.4
158.06123	100.0
159.06480	5.2
161.04594	0.8
174.05576	3.1
176.07295	0.8
202.05113	38.9
203.05424	3.2
220.06177	7.4
221.06343	1.0
237.06151	7.6
249.06165	11.4
262.07214	2.1
309.91748	0.9
382.11435	47.0
383.11755	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	382.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
61.72074	1.2
64.62757	1.2
70.55621	1.4
70.55953	3.2
71.01392	8.1
72.99319	1.6
75.00878	16.0
85.02932	2.9
87.00883	17.1
89.02438	3.8
92.25497	1.2
93.57377	1.2
99.00879	1.8
101.02445	5.5
113.02426	3.9
115.05546	5.0
116.05064	3.5
118.10097	1.3
124.77656	1.4
130.06642	8.6
132.03574	1.7
132.04564	28.6
139.20781	1.3
144.04572	1.8
146.06062	2.0
158.06125	100.0
159.06442	5.0
174.05643	5.5
180.11981	1.4
202.05115	48.0
203.05450	4.4
204.37923	1.3
208.73686	1.3
220.06172	5.4
237.06187	10.2
249.06096	10.4
337.29214	1.4
382.11441	49.2
383.11755	4.0
383.22668	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	382.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09760	1.1
52.34256	0.9
53.79268	0.9
61.98838	100.0
70.28794	3.9
75.70977	1.2
100.04987	1.0
116.42147	1.3
129.10399	4.1
135.67839	1.2
147.04549	2.0
164.07161	3.3
171.11404	1.4
173.07404	1.1
181.87921	1.1
196.92010	1.0
213.13237	1.2
233.16614	2.2
241.36626	1.2
311.29242	1.2
312.19342	3.3
319.16647	10.0
356.21964	1.5
381.68182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.4
69.44199	7.1
71.01392	8.1
73.02956	1.8
74.02450	2.0
75.00826	1.8
76.49757	1.1
85.02951	3.7
89.02450	4.4
90.97160	2.1
96.24250	1.1
97.02979	2.6
98.22493	1.8
99.00882	2.9
99.04582	1.5
101.02445	5.6
113.02463	1.6
114.05576	6.5
115.04005	2.2
116.07178	3.2
123.04514	2.1
126.01949	1.8
130.08772	1.4
131.08258	2.0
132.98227	3.5
133.02937	2.2
134.04735	11.2
143.03552	1.5
153.06717	1.5
158.06111	2.9
159.06435	1.3
161.04578	2.5
164.98674	1.2
170.99739	3.7
173.01169	1.3
177.01967	1.4
178.02254	1.7
183.01468	1.9
185.01256	3.0
192.98251	1.5
194.99734	1.7
197.01375	2.6
198.99222	4.8
200.51443	1.1
202.05057	1.3
204.93466	1.3
206.94981	8.2
208.99420	3.7
209.99483	1.2
210.99173	1.7
213.00827	5.9
224.97218	2.0
226.15622	1.6
230.74232	1.2
232.92786	1.9
236.24756	1.3
241.00340	1.1
248.93651	2.3
248.96071	27.5
251.11363	6.1
251.31366	1.2
256.96616	2.6
258.98090	4.5
268.17813	1.5
270.98087	7.0
274.93994	4.3
276.95425	1.9
282.98135	2.8
284.96014	3.5
286.97586	6.7
294.97986	2.8
296.96051	2.2
298.97696	3.1
300.95978	2.0
300.99225	20.7
307.55637	1.3
310.97620	2.4
312.95752	2.7
312.99185	17.0
314.97070	1.8
326.97012	5.5
328.98685	36.3
329.99002	2.5
331.00180	7.1
338.97260	2.0
356.98184	100.0
357.98557	4.9
370.95953	3.2
382.11365	1.8
382.96021	10.2
383.11288	2.2
383.15582	6.4
383.24051	3.8
384.06113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27099	1.5
53.60483	1.5
55.01877	6.3
57.03465	4.2
58.00599	3.2
59.01386	48.6
64.28256	1.4
69.03448	2.9
71.01391	89.3
71.31091	2.1
71.31439	1.7
72.99306	3.5
73.02950	33.1
74.89438	1.7
75.00869	4.1
79.61434	1.4
81.03427	2.0
83.01405	12.7
85.02959	35.9
87.00886	6.4
89.02453	33.2
93.10198	1.4
95.01405	6.2
97.02950	5.5
99.00887	18.7
101.02453	73.1
102.02866	2.1
113.02462	30.5
113.07265	1.9
114.05631	6.4
115.04044	5.8
119.03467	4.3
119.05014	1.8
123.04523	1.6
125.02461	11.5
126.01981	6.4
130.08762	2.7
131.03494	5.5
133.03026	3.2
134.04739	9.6
137.07469	1.5
143.03471	7.5
149.04567	11.2
159.03035	8.9
159.04391	2.0
161.02406	4.5
161.04578	44.6
164.07198	1.8
175.03993	2.2
177.05553	1.8
191.05640	4.2
203.03572	2.5
209.04382	1.4
221.04610	3.2
226.15514	1.4
233.06741	10.4
237.75839	1.5
251.11377	90.5
252.11693	5.1
273.04184	1.5
293.08917	3.1
356.98224	2.9
383.15649	100.0
383.23828	4.1
384.05933	5.0
384.15820	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	383.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
57.03450	3.0
58.00581	1.5
59.01384	41.7
63.80635	0.7
70.85153	1.2
70.85477	1.1
71.01388	43.5
71.45987	0.8
72.99298	2.1
73.02954	12.8
75.00877	6.7
81.03452	1.4
83.01404	8.1
83.05007	1.0
85.02470	1.5
85.02956	20.0
86.00111	1.5
87.00872	3.4
89.02448	7.5
95.01394	3.2
96.96030	1.1
99.00893	6.1
101.02451	37.6
102.00027	0.8
105.37363	0.8
105.55480	0.9
107.05041	1.6
111.00853	0.9
113.02462	17.2
119.03490	2.4
121.06602	4.2
121.10239	1.6
123.04525	2.8
124.88689	0.8
128.03545	0.8
129.01978	4.2
137.09727	43.7
138.10062	2.1
147.08173	4.4
149.09737	1.0
159.02983	1.7
159.08095	1.4
161.04529	4.5
161.09677	2.1
163.07683	2.9
163.11296	65.8
164.11609	5.1
173.09737	1.1
175.11256	2.1
179.63153	0.8
187.07646	10.6
187.11327	1.7
188.08333	1.2
201.09172	1.1
202.10112	0.9
203.10786	100.0
204.11070	8.0
219.05173	2.0
221.11824	13.4
310.62674	0.9
322.81906	0.8
327.93857	0.7
365.11432	1.1
365.16077	21.7
366.16391	2.1
383.17130	71.6
384.17477	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35628	5.1
61.14124	5.2
61.98843	9.2
71.10188	5.7
71.10529	8.8
78.60809	5.1
84.13837	5.4
98.98476	4.9
100.52314	4.9
101.24409	4.9
124.37485	5.3
154.28423	5.8
158.55498	5.0
196.59944	5.4
213.37248	5.3
213.69788	5.2
291.19662	34.8
309.20776	100.0
310.21100	10.2
374.17874	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.3
66.40209	2.1
68.75270	2.2
69.22031	2.7
69.22366	18.9
69.79819	2.3
74.18314	1.9
87.29173	1.9
101.74220	1.9
105.18864	1.9
111.28712	1.8
120.33636	2.0
122.89428	7.3
152.88857	2.1
162.92599	26.4
165.12823	2.8
181.12344	6.1
211.13203	2.2
224.64944	1.9
247.20685	4.3
273.18680	3.2
291.19690	31.8
292.20007	2.2
309.20737	100.0
310.20987	11.4
383.24463	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30085	17.7
59.01370	22.8
60.65504	14.7
62.26316	15.9
70.55831	39.1
70.56177	24.3
71.93160	15.0
97.76253	16.1
146.03723	22.6
149.02426	52.5
154.05457	17.5
164.04851	85.9
179.07141	55.9
208.03836	18.1
223.06166	100.0
341.18573	25.4
388.59570	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49920	1.8
54.18396	1.8
59.53884	1.8
71.31015	2.1
71.31369	2.1
78.27010	1.8
87.05645	1.8
88.04029	2.7
119.18565	1.9
121.02975	5.5
137.02502	2.3
149.02451	42.4
152.01158	7.8
163.04028	6.4
164.04800	30.5
169.05103	3.5
179.07120	9.8
190.02715	2.6
193.01416	23.8
194.16577	2.2
205.05116	3.0
208.03767	42.8
209.04222	2.4
223.06123	100.0
224.06418	6.3
316.85684	2.2
345.44226	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20256	0.6
58.00594	0.6
59.01138	0.9
59.01389	12.8
67.49723	0.7
70.88213	1.4
71.01392	7.9
72.99311	0.6
81.32831	0.6
85.02953	1.5
88.04028	1.4
89.02453	5.0
91.01928	1.2
93.03478	1.1
95.01380	0.9
101.02460	2.5
103.01933	0.7
113.02457	1.9
119.01381	5.9
119.03539	1.5
121.02944	1.1
147.00917	4.8
149.02449	5.5
162.03192	0.7
163.04027	1.4
164.04820	5.8
165.01906	1.4
175.00381	35.7
176.00702	1.5
179.07143	1.9
189.01933	1.2
189.06157	0.6
190.02730	81.9
191.03194	4.6
205.05067	100.0
206.05499	6.1
207.73941	0.7
208.03838	0.9
217.01512	1.0
221.08260	1.8
223.06129	16.5
223.08282	1.0
224.06381	0.9
232.03758	1.6
247.06087	5.4
248.06345	0.8
265.07318	4.0
325.09494	1.6
385.11334	3.1
385.24744	2.3
395.90472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.5
58.00594	3.8
58.03658	1.9
59.01382	65.4
69.65216	1.9
70.64731	6.2
71.01385	65.8
72.99317	4.2
73.02938	7.6
83.01379	6.1
84.02173	70.6
85.02944	14.7
87.00889	9.7
89.02446	42.2
92.52764	2.0
95.01389	4.6
96.96027	2.8
101.02453	30.0
106.20424	2.3
111.04504	2.2
113.02464	28.7
119.03502	17.8
120.05803	3.0
127.05129	3.5
128.74162	2.0
130.08752	2.5
133.10262	6.0
135.11807	15.8
139.07675	1.9
140.07243	2.2
144.07773	9.1
145.06184	2.2
146.07355	3.4
149.09732	2.7
159.11784	4.2
161.04579	5.5
161.09727	37.7
163.49721	1.9
167.10776	2.7
175.11240	2.4
177.12827	5.7
179.10785	80.0
180.11089	6.0
186.12463	6.0
187.11255	5.6
195.39673	2.0
203.10785	9.7
205.12331	62.9
206.12634	2.7
223.07538	3.9
223.09814	82.8
223.13356	100.0
224.10155	4.6
224.13774	10.8
259.42670	2.6
265.10541	2.4
301.62518	2.2
309.08945	3.5
309.22812	2.4
385.14661	3.0
385.18683	21.6
385.22977	3.3
385.25290	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	385.187
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
57.03445	4.4
59.01381	57.9
65.16311	2.6
69.03450	2.6
69.28434	10.3
69.28856	8.6
71.01386	70.5
72.99268	2.8
73.02953	9.2
76.73866	2.7
83.01384	5.8
85.02950	23.0
89.02445	29.8
90.54922	2.9
95.01376	4.4
97.02974	2.7
99.00900	3.9
101.02443	30.0
108.05853	4.5
109.06553	2.7
113.02474	23.0
113.06077	3.1
119.03481	11.1
122.03793	4.6
123.08180	5.2
125.06072	4.1
135.08069	2.7
138.06102	2.5
138.06903	26.0
139.07639	9.7
147.96788	2.8
151.07657	24.2
152.08426	46.1
153.09224	100.0
154.09561	3.8
159.02921	4.7
159.95448	2.9
161.04567	16.1
165.09222	3.9
205.12315	32.6
223.13431	11.4
239.94243	2.6
277.70450	3.0
385.18610	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	385.1871
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03451	4.2
58.00592	4.3
59.01381	100.0
69.08943	2.1
69.09131	4.3
69.09548	14.4
71.01385	60.7
72.99321	5.8
73.02950	5.5
74.02478	6.1
81.08327	1.8
83.01394	3.4
84.02182	1.9
85.02956	17.1
87.00888	4.3
89.02447	54.1
95.01398	5.6
96.96014	4.1
99.00903	3.6
101.02442	28.2
107.74570	1.7
113.02460	24.1
116.07198	2.1
119.03520	19.2
125.02470	1.9
128.03581	2.0
129.10338	2.0
129.31093	1.9
130.08760	5.8
131.03516	2.0
139.75392	2.2
143.03514	4.4
149.04500	1.9
153.09225	2.7
156.90375	1.9
161.02469	2.5
161.04558	7.1
161.09744	2.8
163.11275	8.4
163.25229	2.0
179.05620	9.0
179.10760	9.2
181.12392	10.8
187.11220	3.4
190.10118	3.1
205.12341	16.4
213.04041	2.3
223.09708	3.4
223.13438	5.2
225.31259	1.8
249.15132	2.2
256.20291	4.0
308.16245	5.8
342.14807	3.4
342.20331	5.3
385.09308	2.9
385.18469	3.7
385.22452	2.3
386.25949	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.4
55.59457	0.7
57.03438	1.3
58.00577	1.9
59.01383	40.3
63.75841	0.6
69.28767	3.2
69.29191	2.4
69.29536	0.7
70.22907	0.7
71.01387	31.2
72.99300	2.0
73.02950	4.4
74.02538	0.7
79.05553	0.7
80.32796	0.8
83.01384	3.1
85.02956	10.2
87.00864	3.5
89.02452	23.7
95.01401	2.6
97.02933	0.8
99.00900	1.6
101.02450	15.6
113.02465	12.3
116.88618	0.8
119.03501	8.3
121.06611	2.7
123.08195	1.1
128.03537	2.4
130.08755	2.0
131.03485	6.3
131.05011	1.2
135.11749	1.0
137.09692	1.1
143.03499	0.7
147.08157	4.2
149.06110	0.8
149.09755	0.9
159.03008	1.7
160.08992	1.9
161.04578	8.8
161.09686	3.0
163.11301	28.9
164.11659	2.0
169.93457	0.7
171.08148	1.4
175.11290	16.6
176.11571	1.3
177.12830	1.5
179.10799	5.9
187.11273	7.3
190.10020	2.0
202.77344	1.0
203.10684	1.2
205.12347	100.0
206.12662	7.6
221.06668	8.8
223.09851	2.7
260.66385	0.8
337.31500	0.8
338.41342	0.9
385.25027	1.4
390.84058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63260	59.4
52.12169	55.4
59.01369	100.0
61.08516	52.6
71.01419	72.2
71.31998	88.0
101.02435	57.2
102.95748	48.6
129.95921	53.0
161.04683	63.3
166.37898	61.8
187.64638	51.1
218.28935	57.9
223.96202	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2234
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.03450	0.5
59.01376	3.1
61.98844	0.4
67.55005	0.3
70.16147	0.9
71.01389	0.7
85.24194	0.3
89.02454	1.7
91.03995	2.6
97.06618	0.7
121.03015	1.3
121.48274	0.4
122.03735	1.0
125.02435	0.9
126.03210	0.8
135.99651	0.3
136.05328	0.5
164.08383	0.4
167.14420	3.8
187.19043	0.4
193.15990	1.3
207.17493	1.8
223.20758	2.0
231.17491	0.8
233.15517	0.6
240.67392	0.4
247.17014	0.6
249.18628	8.1
250.18867	0.5
257.15607	0.4
267.19659	100.0
268.20007	9.8
268.22778	0.7
275.16547	12.3
276.16864	1.2
293.17603	68.9
294.17899	7.6
311.18637	14.0
312.19006	1.4
367.21259	7.0
368.21689	1.1
385.22318	50.6
386.22699	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	385.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00352	0.9
59.01371	3.6
70.64797	3.0
77.32587	0.9
79.49406	0.9
89.02459	1.4
91.04008	2.6
115.29436	0.9
121.02967	1.7
122.03732	1.4
123.31525	1.0
134.10037	0.9
167.14424	3.1
168.04236	1.0
183.13478	0.9
191.98132	0.9
193.15924	1.2
202.83299	1.1
207.17427	1.4
223.20602	1.7
249.18655	8.5
250.18901	1.0
267.19666	100.0
268.19977	9.3
275.16534	11.5
280.32364	0.9
293.17606	71.0
294.17969	5.6
301.90070	0.9
311.18701	13.4
312.19025	1.5
367.21173	7.9
385.22278	47.5
386.22476	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	385.257
Annotation	Arg Val Leu
Peak:m/z	Relative Intensity
58.04099	1.3
59.01376	4.1
61.98835	1.4
70.87918	1.9
70.88251	1.4
71.01372	2.9
73.02962	1.5
88.04022	2.2
89.02446	1.6
103.52654	1.3
105.03456	2.0
109.49020	1.3
114.05623	4.4
115.08783	2.3
116.07181	15.7
119.05002	1.3
121.02938	5.4
123.04543	1.6
126.05602	5.8
130.08759	75.2
130.09795	3.8
131.08266	2.3
131.09111	1.9
131.69780	1.3
133.02963	5.2
140.07224	2.4
141.10390	1.6
147.77698	1.3
149.02443	17.7
152.01112	1.9
163.04019	3.3
164.04816	13.3
177.01952	4.8
179.07152	4.4
182.12897	1.3
184.14465	2.2
185.16603	24.7
186.16176	2.1
193.01407	7.2
195.14992	2.1
208.03809	14.0
212.14082	3.3
215.29369	1.4
223.02802	1.7
223.06149	41.8
224.06488	4.1
226.15727	1.4
227.14029	2.1
229.15535	2.1
254.16144	1.6
262.34924	1.3
268.17862	1.4
299.24576	21.3
300.24689	2.1
328.04550	1.3
341.26440	1.7
343.23544	3.6
346.01407	1.4
368.23035	14.6
369.23340	1.7
385.12222	6.5
385.25702	100.0
386.20682	3.3
386.25919	11.3
389.56482	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	385.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.9
60.90948	0.4
67.07162	0.4
70.84010	0.9
71.60174	0.3
89.02438	0.5
89.82504	0.4
91.04034	1.1
97.06587	0.5
99.08186	0.4
113.09733	0.9
115.07637	1.2
127.07687	0.5
128.08394	0.8
128.68405	0.4
131.48700	0.4
133.85797	0.4
136.49832	0.4
161.34265	0.3
167.14494	2.6
183.13916	1.5
195.12257	0.7
195.13925	10.2
196.14204	0.9
211.13474	0.8
213.14973	1.0
242.15268	1.0
249.22264	0.7
265.21744	0.8
267.23254	0.6
275.20084	0.5
283.22971	0.4
293.21240	9.3
294.21591	1.0
311.22290	100.0
312.22638	10.4
375.34015	0.4
385.25757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92969	0.5
53.00212	0.5
56.06264	0.5
59.01376	0.6
61.98822	1.1
69.99281	1.5
78.47807	0.5
83.18288	0.5
84.51228	0.5
91.04008	0.9
112.40874	0.5
112.66032	0.5
113.09692	0.6
115.07650	0.8
121.02961	3.3
127.07624	0.7
128.08450	0.8
157.70688	0.6
167.14433	3.1
183.13899	2.2
195.13927	12.2
195.15715	0.6
211.13434	0.9
213.15001	1.2
242.15268	1.0
249.22227	0.7
265.21667	0.6
266.25269	0.5
267.23291	0.8
275.20154	0.9
289.11203	0.5
293.21295	9.4
294.21457	1.1
311.22321	100.0
312.22632	9.5
313.06995	1.0
385.09299	0.9
385.25797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22099	8.1
54.88369	9.8
57.03426	8.1
59.01383	62.8
70.84851	18.9
70.85196	11.6
71.01387	100.0
73.02950	31.5
73.04062	37.3
74.02472	46.1
82.02975	9.6
83.01402	11.6
85.02956	36.0
88.04035	28.6
89.02447	28.9
89.44255	8.7
99.00877	16.9
101.02459	48.1
103.05154	24.8
106.41445	7.1
113.02430	46.6
116.07181	11.3
119.04900	7.7
121.29340	8.0
128.03551	55.2
129.10378	15.0
130.08751	54.4
143.11913	27.2
157.13712	8.0
159.03081	10.7
161.04550	41.5
163.03966	11.1
169.09863	18.1
187.10805	12.4
199.18150	14.2
208.13382	9.8
256.20233	41.3
313.22546	8.9
357.21262	39.1
387.22794	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94062	1.2
55.44329	1.1
59.01376	4.3
60.61868	1.1
64.54971	1.1
68.14425	1.1
69.69669	6.5
72.00924	1.4
83.06170	4.4
87.00880	7.9
112.08830	1.6
114.05595	1.3
125.00957	2.5
126.98870	4.3
128.07216	1.2
129.99985	1.6
130.08746	67.6
131.08267	42.6
131.09074	2.1
132.01523	1.3
132.08604	2.8
150.05222	5.2
151.92140	1.1
154.01082	2.1
156.07831	1.6
166.17996	1.2
168.99957	11.9
172.01030	11.6
173.10420	7.4
178.04811	2.7
185.02975	1.4
186.06242	1.3
188.07779	4.3
192.06308	1.4
194.07883	7.0
196.05772	29.1
197.06075	1.7
197.07883	4.1
207.92397	1.1
210.07379	2.0
212.08913	2.7
214.05655	1.4
231.08418	2.2
238.06850	48.0
239.06960	5.8
241.06711	5.2
242.08905	1.3
243.08359	18.5
244.08690	1.8
253.11671	2.7
255.09505	30.2
256.10129	5.8
261.12054	2.8
263.09888	2.4
266.06366	10.1
273.10645	2.8
283.08994	15.1
288.07816	1.3
291.12952	2.1
302.15665	5.9
309.14191	100.0
310.14420	15.2
326.16849	70.4
327.17084	9.7
344.17813	3.2
386.18689	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	386.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23003	1.2
57.03434	1.6
59.01390	10.1
68.85593	1.3
70.12833	2.8
70.13215	2.8
71.01393	12.5
72.99304	1.4
73.02962	7.6
73.04060	5.3
74.57003	1.3
77.41187	1.2
79.82731	1.3
80.05042	1.5
82.02985	3.9
82.06622	4.0
84.02164	2.1
84.04559	3.6
84.08186	1.4
85.02959	4.3
89.02442	4.2
89.52476	1.3
90.11555	1.3
94.06641	2.4
98.02489	2.8
99.00932	1.6
99.81573	1.2
100.04041	1.6
101.02472	3.8
101.07217	49.7
107.02523	1.9
109.02952	1.8
109.04083	12.7
113.02440	2.5
113.03619	1.9
125.03576	4.8
127.05155	95.3
128.03531	2.4
128.05504	2.0
129.10341	1.4
130.08755	13.1
137.04344	1.3
138.48160	1.2
139.08771	3.2
140.07182	14.1
144.07773	1.3
145.06213	100.0
146.06500	2.8
161.04529	2.0
162.38959	1.2
165.57494	1.4
166.12166	1.2
169.13464	1.9
180.10197	3.0
195.07745	1.8
195.11507	6.1
197.12993	2.1
197.16635	5.8
199.18150	2.5
206.12823	3.3
207.11404	2.5
208.13438	7.0
210.15073	2.0
223.10887	4.0
223.13091	1.3
224.09929	2.7
224.13783	2.9
225.16229	7.6
266.22403	1.8
267.18985	1.4
267.64096	1.5
292.20407	11.9
293.18597	7.3
310.21265	3.5
336.19211	2.6
354.20438	7.1
368.21945	31.3
369.22357	3.9
386.22977	61.2
387.23907	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	386.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	6.8
59.01370	25.5
67.52179	5.1
69.19971	36.6
69.20388	15.3
71.01400	35.3
73.02950	11.3
84.00916	21.8
89.02464	10.4
101.02467	10.3
101.07220	30.0
113.02438	11.3
114.05658	6.2
127.05148	67.6
128.03560	12.6
129.10358	94.8
130.08760	21.6
134.03749	7.9
136.54077	5.6
140.07219	7.7
145.06183	65.5
169.09901	30.5
171.11414	100.0
177.09204	16.6
179.10760	8.5
180.11200	10.2
181.09857	6.9
181.12296	12.2
191.10902	8.1
195.11333	10.9
197.16634	11.9
205.08641	14.7
207.08823	5.4
214.14334	7.0
221.00336	5.8
221.11807	6.9
223.09669	6.5
224.10115	16.4
225.11311	9.0
225.16086	11.6
238.19176	8.1
243.37610	6.1
280.20346	8.5
282.18268	7.1
292.20370	7.5
293.18698	9.3
309.09973	7.7
314.20978	13.0
324.19336	6.8
342.19992	9.6
356.21942	97.6
357.22165	11.4
368.21817	31.8
386.22833	44.9
387.23663	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88517	0.9
59.01380	4.3
61.98823	1.2
67.76859	0.9
68.22029	1.0
71.01375	1.6
74.02482	1.5
83.06162	8.1
83.99423	1.8
85.02966	1.4
87.00880	53.1
89.02441	2.3
101.02453	1.2
111.00890	7.1
113.02510	1.0
125.00964	14.3
126.98882	29.7
127.98996	2.6
128.02008	1.2
129.00500	1.3
129.99927	1.3
130.08755	11.4
131.08250	8.9
131.09084	1.4
134.04724	4.2
141.05276	1.8
141.97629	1.2
142.96657	4.7
143.03476	2.9
145.09796	1.3
150.05257	11.1
151.05406	1.5
154.01085	2.6
160.97685	1.4
167.01917	1.4
168.01584	1.6
168.99937	63.0
170.00044	6.2
172.00993	1.0
173.01117	1.0
173.10461	1.7
178.04703	5.1
181.99449	2.0
184.97711	6.6
185.09398	1.2
194.07855	24.7
194.67140	1.2
195.01585	1.0
195.08014	4.0
196.05780	70.6
197.05957	9.3
202.98738	4.8
213.08553	1.9
215.05472	1.0
222.07356	2.3
236.09021	5.8
239.06908	4.3
241.06818	26.9
242.07022	3.6
244.08536	2.6
253.11589	9.4
254.11897	1.5
256.09668	3.9
258.94458	2.9
265.07974	2.4
266.06345	49.0
267.06555	6.0
271.48563	1.1
277.47183	1.1
283.08997	100.0
284.09119	12.1
300.95578	19.3
301.10034	3.7
307.09039	2.4
310.14392	12.3
311.14133	3.9
318.96490	1.6
325.10010	2.7
327.05380	1.4
327.17117	7.7
328.04648	3.9
328.16708	2.1
343.11011	2.7
351.07986	1.8
369.08966	4.2
386.95410	1.7
387.10062	3.5
387.14389	2.2
388.18753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50600	1.3
58.73365	1.2
59.01391	9.1
69.69159	7.9
71.01385	5.4
72.99303	2.5
74.99377	3.3
78.95917	3.2
79.58552	1.5
83.06149	7.4
83.99406	1.7
85.02970	2.8
87.00889	56.0
89.02458	8.8
89.30676	1.2
96.96036	2.3
101.02469	2.5
111.00896	11.1
113.02460	3.4
119.03500	2.8
125.00963	12.0
126.01144	2.0
126.98895	41.9
127.05142	1.8
128.03578	5.4
128.98662	4.0
129.00423	1.9
129.99995	1.5
130.08778	1.5
131.08276	11.8
141.05232	3.2
141.97684	1.2
143.03493	1.6
143.16800	1.4
150.05257	10.6
154.01181	3.1
159.19716	1.3
168.01569	2.2
168.99957	66.2
170.00105	4.9
173.10498	8.3
178.04784	4.4
179.05647	3.6
181.99548	1.6
194.07883	22.5
195.07982	2.1
196.05795	76.5
197.05917	8.7
201.82147	1.4
212.94798	2.2
222.07373	2.8
236.08884	5.4
237.09248	1.5
241.06831	24.7
242.07005	2.8
244.91129	3.5
253.11499	9.4
264.08432	1.9
265.07962	2.5
266.06348	52.8
267.06567	6.9
278.06958	1.5
282.95419	2.4
283.09021	100.0
284.09232	14.1
300.87643	5.3
301.09970	3.2
307.08957	2.3
325.10251	2.7
328.04593	4.1
341.10999	11.6
351.08459	1.8
369.09097	5.7
387.09918	3.8
387.18454	2.8
388.17612	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	387.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
69.24124	5.4
73.22901	0.7
88.47664	0.7
93.03439	1.6
96.96065	1.3
101.02473	0.9
109.02967	4.0
113.02416	1.2
121.02970	17.0
133.02956	0.8
135.04514	4.4
137.02423	1.2
159.04521	1.2
161.02460	1.5
163.68205	0.7
169.06728	0.7
172.05286	1.2
173.06020	0.9
179.05421	0.6
187.07654	1.5
193.05089	4.7
196.05252	1.0
197.06104	1.9
200.04782	1.0
203.22324	0.6
213.05537	1.3
214.06400	0.9
215.07133	1.3
224.04694	1.0
225.05537	3.6
226.06381	9.6
227.06760	0.9
229.93367	0.7
241.05103	2.4
242.05875	8.7
243.06641	100.0
244.06932	7.8
258.14432	0.6
387.24051	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	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11217	12.9
59.01383	13.5
64.89812	14.2
65.44965	14.9
69.74801	14.3
70.51956	43.1
73.04060	23.2
74.02470	38.4
88.04039	22.8
92.91483	11.8
129.10356	36.9
146.03699	37.1
147.22806	12.7
161.06113	14.8
164.04843	30.8
173.09300	14.8
179.07135	100.0
242.18776	17.2
251.06903	11.9
314.53470	16.3
343.19855	68.3
350.85559	14.0
387.22800	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.41827	1.6
59.01385	78.5
65.96644	1.4
70.82398	3.2
71.01392	19.3
74.02475	3.2
83.01367	1.8
89.02451	18.9
95.01422	1.7
96.96979	2.1
101.02452	11.9
113.02486	7.5
119.03510	4.2
131.33919	2.0
137.02515	1.7
163.11293	5.0
207.10272	18.6
240.68788	1.6
249.00815	3.1
387.16663	100.0
388.16949	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57558	1.4
51.92577	1.5
55.30440	1.7
59.01384	16.3
61.98831	2.5
69.31569	3.3
69.31979	8.0
71.01393	15.9
71.02508	2.3
72.00893	5.3
73.02957	1.9
73.04079	57.8
74.02481	73.1
74.88719	1.4
82.06632	3.9
83.02509	2.6
83.36167	1.4
85.02977	4.0
85.04060	3.0
86.02476	5.7
89.02459	16.3
95.01384	1.9
99.05692	1.5
101.02459	10.0
103.05170	8.2
104.03554	40.7
112.02811	2.4
113.02490	7.5
113.03580	2.6
114.05599	2.6
114.65353	1.5
119.03516	5.1
125.02383	1.5
126.09249	3.8
128.03546	2.5
129.10353	7.8
130.08772	10.5
139.08794	7.1
140.07210	4.4
141.10355	4.7
143.11922	32.7
143.26067	1.7
153.10338	4.9
155.08238	1.5
155.11929	25.2
161.04483	3.3
164.14458	2.2
168.11438	3.2
169.09842	15.4
186.12518	19.0
187.10898	7.7
189.12802	3.8
197.16606	2.5
199.18196	3.4
200.14104	4.3
208.13412	10.7
210.12463	2.0
217.12070	1.5
225.16077	6.4
228.13634	2.5
238.19365	2.5
250.31940	1.4
256.20316	32.0
257.20596	3.1
268.20374	9.1
282.18164	3.2
300.19382	13.7
313.22672	7.3
325.22473	19.0
326.22958	2.0
343.23615	2.7
357.21466	62.1
358.21768	5.3
369.21530	5.7
387.11584	2.9
387.22537	100.0
388.22748	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	387.2256
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
53.29111	10.4
53.56097	15.7
59.01065	11.2
59.01376	40.1
61.71199	11.7
67.15732	13.7
69.62540	85.4
71.43414	13.4
73.04076	73.8
74.02485	67.2
96.96013	14.3
97.81877	10.8
104.03544	32.7
129.10332	31.6
130.08748	18.2
143.11914	25.8
155.11942	37.4
161.67940	13.2
186.12497	23.8
225.07739	20.3
256.20267	24.1
268.20282	17.4
300.19620	14.8
325.22461	21.4
357.21527	89.7
387.22311	100.0
388.22760	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74764	0.9
59.01379	1.0
60.05448	0.9
60.81962	1.1
61.98835	100.0
62.11723	0.9
69.41479	6.0
88.91749	0.9
109.84536	1.1
221.68102	0.9
222.98242	1.0
240.87285	0.9
274.42883	0.9
322.95529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2712
Annotation	Sphingofungin B
Peak:m/z	Relative Intensity
55.01880	0.5
57.03449	3.3
58.00603	2.8
59.01389	7.3
59.80172	0.4
61.98817	0.6
69.06728	4.8
71.01394	6.5
71.05034	0.5
72.02168	1.8
73.02956	14.6
74.02454	0.6
79.95693	0.4
83.04997	0.4
84.02198	1.2
85.02955	2.3
87.00900	0.9
89.02458	3.0
101.02472	3.3
101.06093	9.0
113.02452	1.7
119.03513	1.3
123.19008	0.6
130.08746	1.3
144.10330	2.8
147.11855	2.5
155.08286	2.0
183.13919	9.9
209.11890	1.4
211.17050	0.7
213.15071	0.6
223.17047	1.6
241.18118	1.2
269.17538	1.0
270.18411	2.0
302.17328	1.0
317.19513	0.5
343.21384	1.1
344.12534	0.5
388.27106	100.0
389.18219	16.1
389.27377	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	389.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.8
59.01388	38.7
69.03452	8.0
71.01387	26.8
71.02490	4.1
72.99318	6.4
73.02966	22.4
73.04095	23.0
74.02483	41.1
81.03475	28.1
85.02941	5.4
87.00904	5.1
87.04518	7.9
87.05643	18.3
88.04060	5.4
89.02442	12.3
89.72849	4.4
90.03517	4.9
95.01403	19.2
95.05031	8.3
96.00924	4.6
98.00103	6.0
99.00890	59.2
99.04479	5.8
101.02464	12.6
102.05621	4.9
103.05163	8.3
104.03573	9.1
107.05045	27.5
109.02937	6.7
110.02459	4.1
111.00878	12.3
113.02477	8.7
113.03502	5.1
113.06088	11.2
114.05592	10.6
115.00405	4.6
117.01905	5.4
119.03525	5.1
119.05003	6.7
119.08682	6.7
121.06605	34.8
124.01703	23.3
125.02468	62.0
127.04076	4.9
128.03558	18.0
129.10379	10.9
130.06242	5.3
130.08722	11.9
134.02510	45.4
135.08165	32.4
137.02452	4.8
137.09723	35.0
139.03944	5.1
139.07651	9.4
139.08768	4.1
141.10410	7.3
143.11928	5.0
144.07692	4.6
145.06456	4.9
147.04524	20.0
151.04016	13.0
152.03488	7.7
155.11859	4.7
161.04547	15.7
161.05981	8.3
163.07672	100.0
164.08052	4.5
166.05092	19.0
171.03041	8.4
179.07184	14.1
181.08720	41.7
187.00430	8.1
187.10950	6.0
197.34232	5.6
200.14040	16.5
207.06651	52.5
208.06963	5.3
214.15633	6.4
223.06105	13.3
225.07640	19.9
228.17178	6.6
228.36746	4.7
239.09251	17.4
251.05644	65.0
269.06689	12.2
274.14246	4.9
285.07648	16.1
295.04593	17.1
297.19470	7.1
301.15091	17.8
313.05737	30.1
315.16669	6.9
332.56345	6.2
345.08258	37.5
345.17755	29.3
346.96371	5.3
359.19327	12.1
371.15814	6.9
389.20746	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72795	6.3
55.01872	29.5
57.03442	19.9
59.01384	23.2
60.84414	5.8
67.01901	9.0
68.04936	6.9
68.79160	5.8
69.03460	7.2
71.01382	8.0
71.30537	7.6
72.07877	6.6
72.58447	6.1
73.02948	26.4
81.03480	33.1
87.04530	10.2
93.03481	7.4
95.05028	14.1
97.03005	12.1
98.00060	9.3
99.00895	86.1
99.04531	9.5
107.05066	37.1
108.80350	7.3
113.06102	8.8
119.05048	10.2
119.08646	8.6
121.06583	40.8
124.01669	23.8
125.02451	51.8
125.06115	7.2
128.03511	14.3
133.01498	7.3
135.08182	45.6
135.12550	6.5
137.09737	42.1
139.07683	20.0
143.03441	10.3
145.06526	7.1
147.04576	11.5
151.04021	19.8
163.07678	100.0
164.07935	9.4
169.04961	7.9
169.08748	8.4
179.07115	18.3
181.08733	47.2
183.01364	8.1
191.03658	6.4
207.06674	67.5
208.06853	8.3
223.06102	12.7
225.07678	23.7
239.09247	32.3
239.48613	8.0
251.05598	72.3
269.06641	14.8
295.04608	19.0
313.05695	43.9
345.08200	45.3
388.64056	7.9
393.46298	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	389.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19580	4.1
59.01380	16.1
70.61276	13.9
71.01385	9.7
89.02456	13.4
113.02427	5.5
119.03524	6.0
121.02960	19.5
122.03745	10.7
122.89496	4.0
133.02914	4.6
133.87601	4.3
134.03766	57.5
137.02449	7.3
140.73859	4.3
149.02477	38.3
149.06082	14.1
150.03249	91.1
164.04712	6.1
165.04327	8.2
165.05592	100.0
166.05852	5.9
178.02721	26.0
193.05084	82.3
194.05219	4.6
195.06645	42.1
209.11897	9.3
267.06656	5.9
282.08911	9.9
290.54803	4.4
341.10382	39.2
342.10617	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	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84212	0.3
51.54564	0.3
55.01870	0.3
57.03439	1.0
58.00579	0.4
59.01381	6.3
61.98831	0.3
67.44968	0.3
69.06274	3.5
71.01389	3.1
73.02936	1.0
78.05280	0.4
85.02960	1.6
89.02450	2.3
95.01385	0.9
101.02447	2.1
111.08162	1.5
113.02465	3.9
119.03527	0.7
161.04550	0.7
165.12857	24.0
166.13225	1.5
167.14435	0.4
169.21779	0.3
181.12314	0.4
183.13904	86.0
184.14267	5.2
197.15491	1.8
207.13983	1.6
209.11842	3.1
225.14938	1.5
227.12900	100.0
228.13217	7.0
232.46019	0.4
241.14655	0.4
251.12907	3.6
252.13142	0.4
265.83643	0.3
269.13913	1.6
271.09854	0.4
293.13986	0.4
350.69641	0.4
389.18161	2.1
389.25137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94270	6.9
59.01389	9.6
68.45354	7.3
69.48881	7.3
71.02510	12.5
71.30946	12.4
73.04079	41.0
74.02486	41.3
83.50494	7.6
87.05656	32.7
92.03110	7.2
113.03576	11.4
117.06722	26.2
123.63318	8.0
131.04684	17.0
152.07207	11.3
169.09796	12.1
187.10954	7.5
200.14096	77.3
222.12511	8.2
232.77049	8.7
241.46497	7.4
257.16251	15.1
270.14719	11.2
301.15274	53.7
345.17743	100.0
389.20300	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	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93176	15.3
69.37703	28.5
69.38097	100.0
77.41516	13.4
94.33749	13.9
104.66032	15.3
143.97937	17.3
206.76706	15.8
373.76315	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	389.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99485	36.6
70.61171	53.4
70.61515	100.0
79.46094	36.7
126.18005	37.3
166.03851	35.2
177.80904	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2702
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
59.96616	0.4
61.98820	0.5
69.04743	4.3
77.86542	0.5
79.26733	0.5
82.80730	0.4
127.50919	0.4
132.11104	0.4
133.45801	0.4
389.26996	100.0
390.27353	13.4
407.27972	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	390.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
59.01389	39.0
64.01909	2.2
66.96733	1.7
67.01876	1.9
67.55579	1.5
67.66884	1.9
69.80626	1.4
69.95998	4.9
69.96409	3.4
71.01391	44.0
72.99320	1.6
73.02944	5.8
79.79339	1.7
81.03461	4.6
83.01384	4.3
85.02963	14.1
89.02457	28.6
90.03494	4.9
92.43919	1.7
92.71119	1.8
95.01401	36.9
97.02979	2.0
98.00108	6.0
98.21842	2.3
99.00858	2.7
101.02461	30.2
108.04579	2.1
113.02461	20.7
116.18647	1.7
119.03508	16.1
125.01538	3.3
125.02465	67.2
126.02778	2.9
127.04028	14.7
128.03499	2.0
134.02499	100.0
135.02780	3.9
136.00406	4.5
143.03589	2.3
152.03551	21.9
154.31194	1.7
159.03012	3.2
161.04587	25.2
164.98480	1.5
166.05112	51.4
166.24435	1.6
167.02289	15.1
168.02977	3.7
171.03020	17.2
179.05634	4.5
188.05682	4.9
192.03078	5.3
241.39334	1.7
314.08905	13.3
330.08313	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	390.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.0
59.01387	9.6
59.07014	1.3
64.01918	2.4
64.38880	1.0
66.03496	1.4
69.55897	6.7
71.01385	6.4
73.01385	1.0
73.04068	1.4
73.38724	1.1
74.02485	1.6
74.37029	1.1
81.03470	2.4
84.04552	1.6
85.02943	2.6
87.00885	3.5
88.82590	1.2
89.02445	4.5
90.03499	2.8
98.22455	1.5
101.02441	4.8
102.05614	5.9
103.91412	1.0
107.01300	1.4
109.02957	2.8
112.02561	1.3
113.02435	2.4
114.05621	4.1
116.44284	1.1
119.03519	2.1
123.03326	1.0
124.04053	3.4
125.02438	11.1
127.05193	1.1
128.03561	16.3
129.10274	1.2
130.08722	1.7
134.02493	100.0
135.02827	4.2
136.00372	1.4
140.03543	1.1
141.44777	1.2
143.04616	2.6
146.04501	2.7
151.02715	3.0
152.03531	19.0
161.04535	3.0
164.07170	1.6
166.05075	6.5
168.02991	4.3
184.06189	3.1
227.14095	1.4
228.14322	2.5
259.08194	2.7
261.12735	2.8
272.08920	1.7
275.10364	1.6
306.07843	2.7
314.08868	2.4
346.18045	2.3
367.94089	1.2
390.10190	1.6
390.12192	1.4
390.16803	9.0
391.12238	1.9
391.20590	1.5
393.52383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
59.18880	0.6
70.23960	2.5
71.01385	4.0
71.02477	1.1
72.00899	3.0
73.04082	0.7
74.02473	1.5
79.77988	0.6
82.02979	1.6
84.04539	2.4
85.02974	1.1
86.02459	0.8
86.57098	0.6
88.04040	1.2
91.05538	0.9
96.00916	1.4
96.64384	0.7
101.02430	1.1
109.01720	1.0
109.04101	1.0
110.02483	1.6
111.02013	2.0
112.04036	1.0
113.02436	0.9
114.05617	97.1
115.05955	2.3
118.06636	1.0
119.05057	1.0
127.05138	7.3
128.03551	100.0
129.03889	3.5
129.10332	1.2
139.05228	0.7
146.04601	1.1
146.06145	1.8
147.04526	9.3
148.04465	0.7
151.90683	0.6
164.07172	24.6
181.09781	1.0
182.09410	1.2
186.05705	1.3
199.07233	1.2
199.10951	0.8
213.10320	0.9
214.08846	0.7
231.11449	1.6
275.10391	65.3
276.10785	6.2
346.17883	2.1
360.17471	0.8
390.16510	7.8
391.16382	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	390.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56907	40.9
61.98833	77.6
70.70983	100.0
93.73524	42.3
217.00330	55.7
231.82559	47.0
239.68932	41.3
360.22687	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.29102	8.0
62.37086	7.9
69.49162	59.2
104.78674	8.9
105.90939	8.7
145.29233	8.9
180.98540	9.5
191.31973	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	390.2405
Annotation	Ile Phe Leu
Peak:m/z	Relative Intensity
50.34129	0.7
51.32122	1.0
56.08428	0.7
57.01699	0.7
57.01975	0.7
57.54654	0.7
59.01132	1.0
59.01388	12.6
64.97914	0.8
69.39018	1.6
69.39412	4.9
71.01390	5.7
72.00912	1.6
72.53157	0.9
72.99318	0.8
73.02953	1.2
74.02501	0.9
74.08234	0.8
79.06948	0.7
82.06617	2.0
84.08191	0.9
85.02943	2.3
85.94422	0.8
86.99111	0.8
87.00887	1.6
89.02464	4.2
91.05560	1.3
101.02472	4.3
103.03958	0.8
109.71394	0.8
110.49953	0.7
112.07665	1.7
113.02457	2.3
119.03506	2.1
129.10364	46.4
130.08757	89.7
131.05032	7.6
131.09082	2.3
139.08780	9.2
147.04559	8.2
161.04573	2.6
164.07184	23.7
165.07581	1.2
182.06134	1.6
195.15036	0.9
197.16483	1.9
210.05615	3.9
216.12018	1.5
216.13950	18.9
225.16127	5.5
229.14421	0.9
233.16620	2.9
242.18761	11.7
259.14536	16.8
260.12875	2.3
277.15439	1.8
333.36115	0.8
346.24994	3.7
390.23996	100.0
391.19788	1.3
391.23883	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	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11277	1.5
54.84231	1.5
57.03452	100.0
58.03775	2.4
59.01384	86.7
60.01721	2.0
71.01383	21.8
71.02496	3.3
71.32850	2.3
72.99288	2.1
73.02958	10.7
73.04073	4.1
83.01356	3.9
85.02949	4.4
86.84878	1.6
89.02455	23.5
96.00912	4.2
98.02436	2.1
99.04528	69.1
100.04855	1.9
101.02456	35.0
110.06842	1.5
113.02457	12.3
113.03580	4.5
119.03511	5.7
123.04518	3.0
125.02456	23.4
129.10397	1.6
130.06223	2.2
130.08746	11.5
141.05550	1.6
143.03477	2.4
161.04579	4.8
164.07199	4.5
179.05618	6.7
186.05667	1.7
194.84506	1.6
201.06670	2.2
229.14438	1.5
244.08060	1.5
247.12009	2.4
260.10431	2.5
277.15634	1.8
357.14594	6.0
374.17157	5.8
391.15216	2.8
391.19775	32.6
392.20306	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	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.0
58.00589	4.4
59.01386	100.0
71.01388	57.1
71.02499	2.2
72.00919	2.6
72.99289	4.7
73.02966	1.6
73.04052	5.8
77.39417	1.6
81.02195	3.6
82.02970	1.9
83.01382	4.0
85.02930	10.1
87.00883	5.1
87.05653	3.0
89.02456	66.0
91.05571	2.4
95.01394	1.8
95.02512	1.4
96.00930	6.5
96.96019	1.5
98.02494	9.5
98.22508	3.6
99.04554	3.5
101.02451	42.0
109.01704	4.8
113.02461	21.8
113.03594	9.6
118.06651	3.8
119.03524	36.1
121.83521	1.5
124.02802	2.9
129.10405	9.4
130.08751	6.0
131.03558	2.9
131.04591	1.9
132.96498	1.4
135.04541	1.5
138.09238	2.3
140.07233	4.6
143.03502	4.6
147.04538	16.6
149.04495	1.8
150.05623	1.5
155.08289	3.5
157.06578	1.9
161.04564	4.6
164.07185	41.5
165.10353	9.8
166.08730	24.6
167.08331	1.7
168.11522	1.8
179.05571	7.5
183.11356	2.6
186.12538	1.9
191.08385	1.4
199.06415	2.0
209.09355	5.4
210.07814	1.5
225.13577	3.3
227.10402	1.9
229.14497	4.0
233.16667	2.4
247.78038	1.5
256.08572	2.9
259.14496	2.9
270.14923	2.3
277.15549	7.8
295.14655	2.4
313.15594	8.9
331.17191	2.2
357.14587	88.4
374.17264	29.4
375.15613	3.3
391.14648	3.4
391.19806	59.0
392.18774	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	391.1985
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
51.13573	1.1
53.64610	1.3
57.03443	2.0
58.02979	2.7
59.01385	60.9
66.61269	1.4
66.93880	1.3
69.11573	13.6
70.70698	1.4
71.01382	9.0
71.02507	2.8
72.00893	2.6
72.99312	1.3
73.02951	17.5
73.04063	11.4
74.02099	1.4
74.02482	12.5
82.06627	1.6
85.02987	2.3
85.06583	2.1
87.00869	2.9
89.02451	3.7
91.05532	3.7
96.00920	4.2
98.02493	3.1
99.00873	1.6
99.04493	1.5
101.02447	6.0
112.02763	1.6
113.02432	2.7
113.03590	10.0
114.09235	2.8
116.07193	55.9
117.07520	1.8
118.06596	1.5
119.03566	2.2
125.02480	1.6
126.09258	2.5
129.10356	12.6
130.08772	10.3
135.98349	2.8
139.08731	2.9
140.07185	6.2
141.10338	2.5
143.11891	1.5
147.04544	14.1
155.08287	3.1
157.09810	1.5
161.04492	2.2
164.05878	2.0
164.07181	32.3
165.07483	1.4
165.10303	4.8
166.09810	3.8
167.08263	4.6
169.09845	2.9
170.15512	13.1
179.65378	1.4
182.12856	1.6
183.14975	2.1
185.16620	4.0
193.05080	2.8
197.16565	2.3
208.10913	1.4
209.09367	4.7
214.14465	7.7
225.13596	4.2
226.11903	4.6
227.14000	3.1
229.15753	12.1
233.16650	10.4
242.11879	5.7
260.10388	3.9
269.43088	1.5
271.16641	62.4
272.16992	5.4
273.16064	2.8
277.15585	3.3
288.17108	2.6
301.17712	12.9
313.15433	1.6
314.64847	1.2
331.17810	2.6
357.14517	9.2
374.17282	14.2
375.17499	2.7
391.20004	100.0
392.20245	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98823	0.6
64.56605	0.4
69.35822	2.6
69.36243	1.4
71.01392	1.6
82.13610	0.4
85.02959	0.9
86.80218	0.5
89.02426	0.9
97.04073	0.6
98.22489	1.0
100.26846	0.5
101.02431	0.7
102.52229	0.5
113.02446	2.6
118.49634	0.5
128.01053	0.4
135.57301	0.6
164.07179	0.7
167.14430	20.0
168.14792	1.5
172.27591	0.4
173.62939	0.6
185.15457	0.5
205.12320	0.6
209.15465	1.3
211.13426	24.5
212.13770	1.7
229.14461	100.0
230.14813	6.3
243.16016	1.5
253.14497	2.6
271.15582	1.9
358.18021	1.2
361.14127	0.5
391.20099	1.2
392.28009	1.1
404.45868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82644	1.0
57.03455	8.1
58.02961	1.6
59.01387	22.6
69.13734	11.4
70.02971	2.2
71.01396	6.9
71.02517	1.9
72.00905	2.8
73.02965	10.8
73.04077	5.8
74.33800	1.2
81.02211	1.3
82.06622	2.8
84.08192	1.3
89.02454	4.5
91.05535	2.9
96.00930	11.2
98.02500	7.7
98.21832	2.6
99.04530	6.1
100.07701	6.2
101.02471	6.4
109.01656	3.3
112.07672	3.0
113.02423	1.7
113.02814	1.6
113.03573	16.7
114.09224	2.0
115.08739	1.3
116.05016	1.7
116.07207	1.3
125.02475	1.6
128.07184	2.2
129.10365	6.6
130.06200	4.5
130.08762	92.0
138.09230	3.0
139.08809	2.9
140.07184	3.6
147.04527	8.3
154.12360	2.3
164.07214	18.9
165.10301	3.3
166.08701	2.5
166.09946	2.3
167.08200	3.2
170.15540	23.4
171.16002	1.5
173.33180	1.4
182.13144	1.2
185.16597	6.3
186.05594	3.6
197.16631	5.2
200.07207	3.1
204.08948	1.6
208.10873	2.0
209.09378	3.5
209.16609	1.3
214.14462	7.2
216.13934	3.3
225.13509	1.6
226.11885	3.1
227.14037	2.7
229.15633	21.9
229.17842	1.1
233.16600	4.6
241.15723	1.6
259.14594	1.5
260.12952	3.6
271.16669	100.0
272.16980	7.1
277.15570	4.0
301.17776	17.3
302.18283	2.3
313.15512	2.2
328.64865	1.4
344.86975	1.3
357.14612	27.1
359.52185	1.2
374.17252	16.6
391.20151	73.1
391.28442	2.4
392.20520	8.7
398.81192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03453	1.3
59.01134	1.5
59.01390	19.1
67.26510	0.9
69.53442	0.9
70.02984	1.1
71.01397	6.5
71.32481	1.3
72.99316	0.9
73.02956	44.6
73.04077	4.5
73.42081	0.9
74.02469	4.6
74.03274	2.2
76.18264	1.0
78.09516	0.9
82.06625	2.5
83.01385	1.6
85.02965	3.0
85.06629	1.5
85.12958	0.9
87.00863	1.3
89.02459	2.8
96.00920	1.0
97.06617	0.9
100.07668	2.8
101.02453	6.9
113.02477	1.4
113.03631	2.4
114.09261	4.2
116.07195	69.3
117.07557	1.7
126.09267	2.9
128.10864	1.5
129.10378	2.1
130.08749	15.5
135.98297	1.8
138.69057	1.0
140.07144	1.3
147.04526	3.3
147.38889	1.0
148.19383	1.1
161.04605	1.1
164.07172	8.7
165.10332	1.1
167.08267	1.5
168.13974	1.6
168.28017	1.1
170.14078	1.7
170.15526	22.9
183.15039	2.8
185.16576	6.1
186.12471	2.1
187.10939	1.6
197.16562	5.1
209.16521	1.5
213.74414	1.0
214.14568	8.0
226.12029	1.2
227.14008	2.8
227.17639	1.4
229.15622	24.5
230.15913	2.0
233.16554	1.9
242.11810	1.3
243.14597	1.2
271.16663	100.0
272.17023	9.0
273.15982	1.2
280.66644	1.1
283.16803	1.8
301.17731	17.1
302.18079	1.0
317.16080	2.5
335.72232	1.1
347.20499	1.6
357.14667	1.5
374.17276	3.3
391.20102	75.3
392.20361	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	391.2133
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
57.03438	1.0
59.01382	1.7
69.03448	1.3
69.64236	1.6
69.64627	1.3
83.01380	2.2
85.02916	1.4
96.96014	1.1
104.34343	0.6
108.02180	2.2
109.02965	1.6
111.04546	1.2
111.23925	0.6
113.02450	2.6
118.73138	0.6
121.02951	2.2
122.03787	0.7
123.04490	1.3
124.01705	1.3
125.02451	1.3
134.03767	1.3
135.04494	0.8
137.02455	2.5
138.03242	3.9
161.06107	1.0
170.02190	1.6
193.19621	0.6
200.03305	3.4
211.48627	0.6
218.09526	0.7
222.93254	0.6
333.21060	0.9
343.19138	0.8
361.20224	5.6
391.21307	100.0
392.21661	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59774	60.4
57.32484	50.7
71.00092	55.1
71.32954	92.6
75.06056	57.4
116.56084	56.6
125.11419	55.7
134.10075	52.7
164.01100	53.5
172.81522	48.4
191.53554	52.6
239.74567	50.3
255.23311	100.0
311.83511	57.6
371.10007	53.5
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
55.55838	15.7
69.47620	30.3
69.48016	100.0
89.92948	15.8
96.22089	17.3
124.88219	17.1
141.14156	15.8
155.92580	21.9
361.69461	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	391.2855
Annotation	Ursodeoxycholic acid
Peak:m/z	Relative Intensity
59.01366	0.2
60.58582	0.2
67.43607	0.2
92.07615	0.2
92.37694	0.2
92.89737	0.2
98.22629	0.4
116.71588	0.2
228.83437	0.2
373.27579	1.3
391.28561	100.0
392.28894	13.8
409.29590	4.9
410.30038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58997	12.4
62.36874	13.4
63.59898	12.8
74.64011	13.9
96.96024	24.4
97.06617	16.6
98.21732	29.8
98.98781	15.0
99.04521	24.5
139.04039	19.9
163.11307	100.0
167.49002	17.3
215.18011	26.3
233.19127	80.6
277.18146	96.4
305.66956	18.3
321.17108	49.1
378.83011	15.0
392.21375	59.6
393.22861	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	392.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15757	1.5
59.01384	9.6
69.31203	11.7
71.01385	34.6
71.02475	2.0
74.02430	2.4
74.40789	1.4
88.04044	38.4
98.21751	1.8
109.02923	2.6
114.01869	1.6
115.00390	45.3
115.08720	5.3
119.04965	5.0
123.38106	1.3
129.10355	100.0
130.10707	3.4
132.03032	18.3
135.04497	1.5
136.07599	1.5
139.08696	3.7
146.06128	38.5
147.04521	3.6
155.40549	1.5
159.04411	4.5
160.01654	9.7
161.01921	3.8
163.03993	3.3
164.07079	4.0
175.02798	1.3
175.04010	16.0
176.04224	4.8
180.06656	12.3
193.04916	4.1
196.59999	1.6
200.07045	1.7
211.14430	1.8
228.16995	5.4
259.14496	8.8
269.07959	1.7
276.17157	40.4
277.15479	33.5
278.15781	2.9
348.19275	16.0
355.10150	4.1
356.10397	3.0
392.17932	62.3
393.18021	6.7
403.71390	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	392.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15757	1.5
59.01384	9.6
69.31203	11.7
71.01385	34.6
71.02475	2.0
74.02430	2.4
74.40789	1.4
88.04044	38.4
98.21751	1.8
109.02923	2.6
114.01869	1.6
115.00390	45.3
115.08720	5.3
119.04965	5.0
123.38106	1.3
129.10355	100.0
130.10707	3.4
132.03032	18.3
135.04497	1.5
136.07599	1.5
139.08696	3.7
146.06128	38.5
147.04521	3.6
155.40549	1.5
159.04411	4.5
160.01654	9.7
161.01921	3.8
163.03993	3.3
164.07079	4.0
175.02798	1.3
175.04010	16.0
176.04224	4.8
180.06656	12.3
193.04916	4.1
196.59999	1.6
200.07045	1.7
211.14430	1.8
228.16995	5.4
259.14496	8.8
269.07959	1.7
276.17157	40.4
277.15479	33.5
278.15781	2.9
348.19275	16.0
355.10150	4.1
356.10397	3.0
392.17932	62.3
393.18021	6.7
403.71390	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	392.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43167	6.5
59.01392	11.0
67.35355	6.2
69.10476	14.0
69.10873	63.9
96.00916	49.8
98.02483	27.9
113.03566	19.8
127.13822	6.7
130.08727	40.4
138.09227	10.7
200.07202	13.0
216.13736	9.4
259.14615	8.9
260.12933	11.9
357.14624	100.0
358.14954	19.6
374.17645	17.4
393.22842	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19107	1.0
57.03439	3.5
59.01382	14.5
62.89926	1.1
65.60221	0.9
69.09103	4.1
69.09526	6.1
70.02969	3.6
71.01373	4.7
71.02502	1.1
72.00892	1.7
73.02979	1.5
73.04057	1.2
74.02506	1.1
75.00840	2.5
77.99261	1.0
81.02187	5.1
81.29346	1.0
82.03000	1.8
82.06608	2.9
87.00889	1.5
87.05642	3.7
89.02461	3.0
96.00919	33.8
96.96021	3.4
98.02486	29.7
99.04547	2.4
101.02441	5.2
109.01720	2.5
113.02441	2.5
113.03578	23.9
114.01913	2.2
116.05074	1.6
116.31535	1.1
118.06638	3.5
119.03484	1.9
121.04070	1.2
125.02453	1.3
129.10358	5.0
130.08743	37.7
131.04977	4.9
138.09267	10.5
140.07161	2.2
147.04539	7.9
155.08249	2.5
159.04529	2.5
161.03583	2.0
164.07169	14.2
165.10355	5.3
166.08723	11.7
167.08212	1.7
174.05559	1.2
177.21066	1.1
199.06390	1.8
200.07176	9.8
204.09061	3.0
209.09286	1.8
216.13913	7.4
230.14674	2.2
243.07761	1.2
249.36789	1.0
259.14420	5.7
260.12918	10.2
269.16537	2.9
270.14810	1.7
277.15515	4.2
277.48770	1.3
295.14401	3.0
312.26685	1.7
313.15686	6.3
356.25360	9.0
357.14560	100.0
358.14822	12.0
374.17255	33.2
375.17542	3.5
390.13467	1.2
392.13760	1.3
392.19366	5.8
392.27493	1.1
393.21881	1.8
395.55283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58530	20.6
55.64643	21.9
61.98817	100.0
62.66165	22.1
70.50764	90.2
83.86802	23.6
164.83658	26.1
202.48451	26.5
213.25438	26.5
227.61568	25.4
246.78162	25.9
249.88875	26.0
260.11417	29.5
344.66208	28.1
410.66055	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	393.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
57.51799	2.4
59.01371	8.5
61.98831	2.6
69.06716	23.0
72.47060	2.2
83.05050	3.3
91.05493	3.4
93.65447	2.2
96.96011	35.9
97.25089	2.8
99.00883	10.3
107.05018	3.7
120.05802	5.3
129.07083	5.4
131.04984	2.4
133.06609	15.4
135.04538	2.8
145.06596	6.8
145.59082	2.5
146.70041	2.1
147.08154	10.3
151.11212	4.6
152.04796	6.2
152.11626	2.1
163.04018	4.5
164.04808	11.3
173.06096	35.8
174.06508	2.1
177.05568	14.1
187.11200	2.2
189.05597	5.5
191.07109	6.9
196.03783	27.3
203.88414	2.1
217.05046	45.0
217.15974	15.8
218.05547	5.6
227.10796	20.1
231.10249	12.4
243.13960	12.0
259.13370	2.5
261.04028	25.9
261.14890	9.1
262.04251	2.5
271.09814	17.3
272.10175	3.0
287.12906	59.7
288.13226	6.6
305.14014	3.9
329.47763	2.6
331.11850	100.0
332.12131	13.1
339.81662	2.5
349.12997	2.6
349.18289	2.6
357.09656	3.4
375.05875	3.2
375.10840	66.5
376.11227	11.9
393.11850	83.1
394.12241	9.3
394.22675	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.9
61.98817	5.4
62.59096	3.0
70.62213	10.4
70.78345	4.2
73.02963	3.9
75.70885	3.5
96.95984	5.9
99.00881	9.2
107.05027	4.1
112.55503	4.0
120.05792	5.7
123.08193	4.7
129.07091	6.4
130.08752	3.7
133.06624	20.5
143.17345	3.6
145.06622	12.0
147.08186	7.0
149.06053	6.6
152.04840	7.4
164.04800	9.8
173.06120	31.6
177.05597	19.0
189.05577	9.0
196.03786	28.3
217.05066	58.3
217.15971	15.0
227.10767	21.3
231.10297	11.6
243.13870	12.2
261.03986	30.2
261.14926	12.0
271.09784	19.8
287.12918	73.6
288.13208	9.6
303.71204	3.5
305.14081	3.8
313.10782	3.8
331.11902	100.0
332.12247	9.6
375.10883	72.1
376.11163	9.6
393.11829	73.3
394.12405	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93377	0.5
55.01883	1.5
57.03451	100.0
58.02983	0.6
58.03786	1.5
59.01382	67.0
60.01708	1.1
61.72395	0.5
61.98834	0.6
71.01387	11.8
71.33134	0.9
72.99320	0.7
73.02950	5.9
73.08907	0.5
74.02476	2.5
81.03476	2.1
83.01391	4.6
85.02954	7.3
87.00890	0.7
89.02477	1.7
95.01421	0.8
96.96031	2.0
97.02979	0.6
99.00890	2.4
99.04524	69.9
100.04887	1.4
101.02448	30.7
102.02789	1.2
106.97455	0.5
113.02464	6.6
116.05034	1.1
125.02455	19.6
126.02759	0.7
141.06700	1.0
143.03482	1.4
149.06029	0.8
159.03027	0.9
161.04535	4.1
180.14351	0.5
189.06989	1.1
212.55176	0.5
249.13434	32.7
250.13683	1.4
260.07416	2.0
291.14450	0.9
331.17606	0.8
350.23346	0.6
374.93152	0.5
393.17432	2.1
393.22156	1.0
394.14191	2.0
394.22186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09732	0.8
55.01881	1.1
57.03453	100.0
58.03786	1.8
59.01383	77.4
59.38185	1.0
69.22935	5.1
69.23349	2.4
71.01381	10.8
72.99327	1.0
73.02951	6.5
83.01396	5.4
85.02940	7.0
87.82479	0.9
95.01402	1.5
99.00902	3.0
99.04525	75.2
99.35783	0.9
100.04869	2.4
101.02449	30.7
102.02853	1.1
113.02465	5.0
114.28259	1.0
125.02464	20.1
126.02785	1.3
138.87587	0.9
143.03540	1.9
159.02950	1.1
161.04559	5.3
173.91907	0.8
175.48804	1.0
181.66628	0.8
249.13438	33.5
250.13754	2.6
261.96912	1.1
290.36948	1.0
291.14453	1.4
331.94949	1.0
393.17725	2.9
397.76038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30676	1.7
55.93962	1.9
57.03431	2.4
57.91370	2.1
58.00600	5.5
59.01388	100.0
69.03474	2.0
70.30410	6.4
71.01390	59.0
72.99309	3.7
73.02950	18.7
73.04086	2.5
76.65099	1.9
78.15421	1.8
82.23609	1.9
83.01408	4.8
85.02972	11.7
87.00890	2.7
89.02458	95.2
95.01418	2.5
96.96038	9.0
98.02522	2.2
99.00901	24.0
101.02464	40.3
109.02962	6.6
113.02467	18.5
113.03647	2.0
115.05138	4.3
119.03532	14.4
125.02482	4.4
130.08745	2.5
131.03560	12.3
143.03595	3.0
147.04532	2.5
149.04584	42.4
159.04562	11.7
161.04535	4.6
179.05667	7.8
183.11378	1.8
185.54422	1.7
191.05678	14.4
193.05151	3.7
202.04648	2.0
221.06796	1.9
251.07840	2.4
259.49911	1.7
261.13339	3.8
264.25073	2.0
269.08093	4.1
312.12381	2.2
314.17242	3.5
333.18945	2.4
393.17313	16.9
394.12491	2.3
394.18149	4.9
394.22839	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	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03456	1.8
58.00594	3.0
58.82129	1.0
59.01382	81.5
65.17008	0.9
69.03462	1.0
71.01385	59.8
72.01735	1.8
72.99316	3.1
73.02954	17.1
75.00853	1.2
83.01385	2.1
85.02957	7.4
87.00896	2.0
89.02449	100.0
90.02786	1.2
95.01396	2.6
97.02971	2.8
98.21704	2.1
99.00885	25.4
101.02452	31.7
102.02709	1.0
106.28944	1.0
113.02467	16.1
119.03499	14.1
125.02443	4.1
131.03514	16.8
143.03531	4.4
149.04562	46.7
150.04941	1.7
161.04572	4.5
179.05620	6.7
179.75862	1.2
191.05652	10.7
221.06659	1.9
233.06662	1.2
251.07689	2.8
261.13568	1.4
393.17584	19.0
394.18082	2.9
409.37018	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	393.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13375	1.6
56.63234	1.5
58.02987	3.7
59.01383	9.3
60.99318	2.1
66.03487	3.1
67.02997	2.5
69.04577	7.7
69.06196	8.7
69.06629	7.8
70.02984	2.1
71.01392	4.3
73.04103	1.5
74.02480	87.1
82.06623	4.6
84.00915	1.6
84.08199	2.7
84.89622	1.5
85.06594	4.3
86.83904	1.7
93.62013	1.6
97.06609	4.1
109.03023	2.3
110.02474	2.4
110.58502	1.8
113.02477	1.8
118.05157	2.4
119.05009	1.7
126.09270	3.5
128.10834	35.2
130.08759	55.0
131.09125	3.3
133.02930	2.3
136.35927	1.8
140.10828	2.1
141.10349	4.5
143.11943	9.5
152.07172	2.2
153.10403	2.5
154.08719	2.8
154.12453	2.5
155.11925	8.5
157.50746	1.8
167.11897	15.2
169.13583	2.7
172.09816	19.5
180.06720	2.2
185.09312	6.8
185.12994	6.9
187.10909	31.4
199.10942	5.9
200.11079	1.8
203.16864	1.7
206.48280	1.9
223.98836	1.8
229.11946	100.0
230.12198	5.1
231.13536	4.5
236.31512	1.8
241.11935	8.8
259.12979	12.5
273.14587	89.9
274.14832	9.0
303.15573	9.7
331.14966	3.2
349.16110	22.3
350.16730	3.3
362.11746	2.0
393.18826	54.0
394.19275	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97010	0.8
55.01839	0.9
56.57651	0.8
57.03439	5.4
57.81086	0.9
58.00604	5.6
58.34631	0.8
59.01382	100.0
60.01717	1.1
69.65807	3.7
69.66218	1.9
71.01385	57.1
72.01729	1.1
72.99313	4.3
73.02937	2.9
83.01395	3.6
85.02954	11.2
87.00880	2.6
89.02449	71.5
90.02756	0.9
95.01408	5.3
96.00922	1.4
98.02490	1.3
99.00892	1.1
99.04546	5.0
101.02449	40.5
109.02935	1.1
113.02459	23.2
113.03590	1.7
119.03507	35.2
125.02418	2.0
130.08749	1.1
131.03525	2.7
143.03505	3.9
147.04477	1.1
149.04546	2.5
149.74940	1.0
159.04578	1.3
161.04590	4.5
164.07146	1.5
166.08745	0.9
179.05629	6.5
185.15373	1.1
186.10085	0.9
214.91342	0.8
231.16002	3.2
260.34848	0.9
358.14859	8.9
373.25269	0.9
375.17490	2.9
393.21359	47.7
394.21585	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	394.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.8
61.98838	2.9
69.06940	8.3
69.07359	4.8
71.01408	9.5
72.99311	1.6
74.02486	2.2
85.02959	2.0
89.02457	11.4
90.03514	2.9
93.03499	1.6
97.02932	1.6
98.22511	3.1
101.02475	6.7
108.04599	1.9
109.02950	5.8
113.02464	7.2
118.75150	1.2
119.03547	6.6
119.05002	2.6
119.81391	1.3
121.02965	2.5
123.04539	20.0
125.02470	53.6
126.02833	2.0
130.08765	5.3
133.02977	2.9
134.02499	100.0
135.02823	4.3
135.04546	37.7
137.02495	2.8
139.04062	2.7
147.04466	1.4
149.02446	10.1
149.06027	1.5
151.03923	1.7
152.03554	12.9
153.05563	7.4
161.02446	6.2
167.03546	7.8
179.03522	3.9
179.05649	3.1
188.03038	1.3
197.02242	4.3
197.04594	6.0
209.04576	3.1
239.05714	1.7
261.53070	1.4
314.08844	18.3
329.08887	5.0
340.46777	1.5
341.08661	1.8
347.09018	1.4
351.95798	1.5
358.07736	2.8
394.05453	23.3
394.16547	2.1
395.20523	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	394.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.3
61.98838	1.9
71.01385	11.9
71.31627	2.0
73.04091	2.1
74.02477	1.3
85.02943	2.1
85.71472	1.3
88.04047	4.9
89.02460	8.4
90.03507	2.0
93.04660	1.6
95.17802	1.3
96.95969	1.5
97.02943	1.7
101.02451	5.8
108.04578	2.0
113.02448	3.4
115.00381	6.8
115.08771	2.8
119.03526	5.1
119.05028	3.2
120.63695	1.2
123.04534	2.0
124.53020	1.4
125.02469	59.4
131.03499	1.3
132.03136	1.3
134.02505	100.0
135.02832	2.7
135.04546	5.0
139.96280	1.3
143.03442	1.6
152.03558	13.0
161.04588	3.7
162.05618	4.5
164.07234	3.0
169.01479	2.1
172.10960	3.8
175.12106	1.4
179.03520	2.6
179.05629	4.1
180.06621	1.9
186.00804	1.4
197.02234	4.7
197.04492	2.0
201.13562	3.1
228.96445	1.6
278.15088	5.5
279.13501	2.5
290.45724	1.4
314.08813	19.1
315.09247	1.5
330.04959	1.3
349.18866	2.8
350.17279	2.3
358.07950	2.9
376.15176	2.2
394.05490	32.1
394.16537	10.3
395.05743	3.1
395.15930	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	394.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
71.01353	0.4
71.18262	0.6
78.95930	0.6
79.95732	2.3
96.96026	100.0
97.96008	0.4
125.46281	0.4
143.29236	0.4
163.05284	0.5
381.60931	0.4
394.22723	83.7
395.23035	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	394.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
60.94594	0.7
61.98844	0.8
62.52034	0.7
71.32590	1.1
73.06347	0.7
76.57832	0.7
79.95748	2.6
80.96534	0.8
96.96026	100.0
97.95932	0.9
134.23476	0.7
148.99432	0.9
160.26167	0.7
161.27573	0.8
274.41547	0.7
365.13086	0.7
394.22690	83.8
395.23099	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	394.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66431	100.0
70.66739	85.2
79.84811	55.9
92.41900	51.7
254.48380	53.8
257.84753	58.0
269.68069	52.5
309.89758	54.8
354.88644	51.1
412.52222	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	9.4
69.03995	100.0
84.61942	8.8
98.43324	8.5
102.41769	7.9
104.82815	8.5
108.50027	9.9
108.56064	9.2
119.25866	10.0
203.07251	12.8
303.99069	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	395.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33850	0.6
55.01890	6.4
57.03444	3.7
58.00603	1.2
59.01387	30.8
60.65421	0.7
69.03473	1.5
69.34909	5.2
71.01393	55.8
72.01742	0.8
72.99319	2.0
73.02962	28.9
75.00888	2.1
81.03484	1.0
83.01401	11.2
83.12473	0.7
85.02963	27.4
86.00144	1.4
87.00903	3.4
89.02461	10.1
95.01400	3.5
96.96046	2.5
97.02990	2.5
99.00895	11.3
99.04560	1.3
99.08217	0.9
99.20670	0.7
101.02461	58.2
102.02799	1.1
109.02985	0.7
111.00916	2.0
113.02470	20.0
115.04044	1.7
119.03519	1.3
125.02455	4.1
129.01979	1.3
130.63643	0.7
131.03575	4.1
135.20471	0.7
137.09756	0.9
143.03542	2.5
149.04535	1.7
159.03030	3.7
161.02563	1.0
161.04587	22.2
162.04810	0.9
171.10254	4.7
205.03622	0.8
222.15532	0.7
223.84079	0.7
233.06686	3.1
235.13411	0.7
235.85349	0.7
254.20094	0.8
263.15030	100.0
264.15344	8.1
269.55774	0.7
293.08722	0.7
307.14026	1.0
331.39526	0.7
335.08038	1.0
337.31821	0.8
395.19226	82.9
396.19553	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	395.1926
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01883	6.5
57.03451	4.3
58.00585	1.9
59.01383	31.2
62.38937	0.6
69.03558	6.4
69.03961	1.0
71.01385	48.4
72.99295	1.7
73.02952	31.7
73.92854	0.5
74.03294	1.0
75.00850	1.4
79.79509	0.5
81.70737	0.5
83.01023	0.3
83.01394	13.4
85.02962	27.6
86.00098	1.9
86.03269	0.7
87.00886	2.9
89.02465	10.9
95.01393	3.4
97.02967	3.2
99.00885	11.9
99.08167	1.3
101.02452	60.8
101.09727	0.7
102.02805	1.2
107.20573	0.6
111.00896	2.3
113.02457	21.8
115.04050	1.5
119.03528	0.6
125.02455	3.4
129.01959	1.8
131.03513	2.7
143.03535	2.3
149.04599	1.4
159.03027	4.3
161.04573	18.0
162.04851	0.7
171.10310	0.8
171.34395	0.6
191.05620	0.7
233.06654	2.9
263.15002	100.0
264.15341	7.4
293.08841	0.7
307.14035	0.7
395.19223	72.7
396.19550	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	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
57.03452	6.2
58.00589	1.6
59.01382	32.7
59.56196	1.1
61.19133	1.0
68.58099	0.9
69.03458	2.0
70.18660	3.2
71.01385	58.3
72.01695	1.9
72.99313	1.8
73.02953	33.1
75.00866	1.5
77.65459	1.1
79.79526	1.1
82.18685	1.1
83.01395	13.3
85.02955	29.7
86.00072	1.0
86.03219	1.1
86.27376	1.2
87.00877	3.2
89.02446	11.2
95.01394	3.9
96.95981	1.3
97.02949	4.6
99.00887	15.0
101.02450	63.7
102.02785	1.8
111.00900	2.6
113.02461	19.5
115.04020	2.2
123.51403	1.2
125.02457	4.3
129.01970	1.6
131.03517	2.7
132.52870	1.2
143.03491	2.9
159.03014	6.6
159.04276	1.2
161.04575	26.4
177.58675	1.1
233.06825	2.7
243.06596	2.1
263.15012	100.0
264.15402	6.9
307.14285	1.5
351.23596	1.8
395.19232	87.5
396.19562	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	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
60.00900	1.2
60.48592	1.0
63.99617	1.0
71.11020	2.9
71.81425	1.0
78.95910	15.2
102.76377	1.3
130.08691	1.3
133.34378	1.0
135.02986	1.8
151.07640	1.1
152.99603	15.9
166.21509	1.0
277.21750	100.0
278.22098	12.3
345.24396	3.9
377.27042	3.5
385.66440	1.2
395.22876	1.6
395.27994	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	396.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48070	0.8
69.44432	1.7
69.44830	5.0
96.96028	4.0
97.93121	0.8
99.92593	51.4
100.92599	3.7
115.92083	8.9
116.92867	8.2
117.92866	0.7
118.89991	100.0
119.90043	5.1
125.41649	0.8
134.89510	5.8
135.89326	1.0
135.90266	13.2
136.90312	1.0
141.93668	1.7
150.88985	8.3
151.89012	0.9
200.46628	0.8
360.13959	14.5
361.14276	2.2
396.11679	48.0
397.11957	7.9
397.16876	1.2
397.22806	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	396.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36724	24.9
71.11366	33.3
83.79734	23.3
86.14622	23.2
90.46314	24.1
99.92625	47.8
118.89969	100.0
128.08577	28.9
139.86682	26.4
150.89067	25.6
210.20674	26.0
396.11880	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44415	15.9
69.32859	100.0
70.73969	13.2
87.46297	13.2
87.77541	15.1
96.96047	22.1
98.21703	26.1
99.94158	12.6
156.76314	15.3
182.16768	15.0
311.17062	21.0
377.46899	18.3
397.22711	23.5
408.84247	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	397.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35019	0.7
67.01888	1.9
69.03456	1.3
69.26262	2.7
69.26690	2.3
71.01388	3.1
72.99296	0.8
74.99375	2.9
76.53332	0.7
82.99892	1.1
97.02965	11.4
99.04529	12.9
115.00383	8.8
117.00433	0.8
122.99444	1.3
125.00987	4.9
125.02467	1.7
127.02552	4.4
133.01454	22.3
137.00934	0.9
139.02539	1.6
141.00479	4.1
143.03532	18.0
155.02037	6.9
156.02225	0.6
157.02379	1.3
157.03592	18.6
158.03703	1.5
165.00450	1.3
165.01682	5.7
173.01360	1.7
181.00060	4.8
183.01509	46.0
184.01640	4.7
187.02515	8.8
198.99265	5.0
208.99420	100.0
209.99605	9.5
221.06731	2.3
226.98369	1.0
227.00505	12.7
228.00594	1.0
239.07710	2.1
273.03033	0.8
291.03687	3.5
309.04709	1.7
310.94876	2.3
335.02585	2.3
352.96002	3.4
353.03497	3.3
379.01282	0.7
396.95218	0.9
397.02667	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	397.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	2.7
69.03439	1.2
69.60541	3.1
69.60953	1.2
71.01382	1.6
72.29488	0.7
74.99386	3.5
82.99895	1.2
97.01461	0.7
97.02959	17.1
99.04536	4.3
106.99915	0.9
107.53608	0.7
125.00963	5.6
125.02454	0.9
126.00987	0.7
127.02550	5.8
129.00465	1.1
130.08720	2.2
138.05728	0.7
139.02505	1.4
141.00458	3.0
143.02025	1.2
143.03506	4.5
148.04044	0.9
155.01990	5.3
157.03593	16.6
158.03699	2.2
165.01683	2.0
171.01550	0.9
180.98582	0.7
180.99930	4.9
183.01511	50.2
184.01634	4.3
187.02495	1.5
193.07191	1.2
199.75194	0.7
208.99432	100.0
209.99605	12.1
221.06664	3.7
227.00504	11.9
228.00743	1.0
239.07928	1.3
247.04521	1.6
291.03619	5.2
305.41916	0.8
309.04773	3.1
335.02652	2.0
352.95694	1.0
353.03598	5.2
379.01276	0.8
398.10962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	2.0
55.01862	3.2
57.03441	4.3
58.00591	3.8
59.01382	100.0
60.57034	2.3
69.03438	6.1
69.77023	9.9
69.77422	3.5
69.95078	2.6
71.01386	96.5
72.99295	8.8
73.02950	22.4
81.03442	4.5
83.01379	13.3
85.02964	20.9
87.00874	19.4
89.02454	70.8
89.86017	2.7
91.04040	3.2
92.14117	2.4
92.84525	2.0
95.01397	10.2
97.02962	17.5
99.00886	5.8
101.02448	84.1
111.04507	4.8
113.02460	34.0
115.04015	2.7
117.95124	2.1
119.03498	24.8
119.50814	2.5
125.02443	20.6
129.38658	2.3
131.03539	3.4
133.05032	6.0
143.03510	10.5
153.46701	1.9
161.04590	18.6
178.52966	2.6
179.05566	4.8
199.06052	2.5
221.06667	2.7
235.08179	23.5
245.06512	3.2
305.08643	2.2
319.90121	2.2
379.12704	2.8
397.13544	85.4
398.13708	5.0
412.65808	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26085	1.1
55.01879	6.4
57.03434	3.9
58.00592	4.8
59.01387	100.0
59.34571	1.1
68.99783	1.5
69.03466	7.4
69.31968	3.5
69.32388	6.7
71.01390	90.4
72.01748	1.8
72.99307	7.1
73.02956	20.7
74.03311	1.3
75.00858	2.2
78.63522	1.1
80.37125	1.2
81.03454	3.0
82.82927	1.3
83.01408	11.1
83.05006	1.5
85.02961	21.4
86.00109	2.1
87.00887	16.7
89.02454	65.5
90.02780	1.8
91.04026	1.4
93.03513	1.5
95.01393	7.1
97.02955	17.5
98.22485	2.4
99.00900	4.6
101.02452	70.1
102.02801	1.7
103.04018	3.6
111.04532	3.3
113.02464	30.7
115.04050	2.3
119.03511	21.5
121.02964	2.5
125.02453	22.1
129.01990	1.3
131.03520	2.7
133.05074	5.5
139.04047	3.3
141.02019	1.8
143.03500	8.8
149.04601	2.7
157.05043	1.8
158.75223	1.3
161.04565	17.4
162.04823	1.5
169.05092	1.9
179.05556	5.8
217.07233	3.4
221.06665	3.5
235.08250	22.7
253.09193	1.4
263.07983	1.4
277.09140	1.7
281.26703	1.3
287.07721	1.5
305.08728	2.5
397.13541	61.9
398.13864	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.1
57.70007	1.5
59.01368	6.0
69.07320	17.7
71.01385	3.3
87.96475	1.6
93.07092	5.9
100.31593	1.5
121.06583	6.7
125.02493	3.6
125.09725	6.7
130.08690	3.3
137.06079	4.3
171.10287	49.8
172.10558	2.0
185.11845	9.6
197.11780	2.7
199.13437	2.5
201.14940	3.2
214.83913	1.5
247.17010	20.0
265.18085	100.0
266.18423	9.9
266.20987	1.7
291.16013	20.9
292.16617	1.7
309.13406	2.8
309.17059	48.0
310.17517	3.8
335.14941	8.9
353.16013	8.4
370.25998	8.0
386.50690	1.9
397.14771	4.3
397.22913	3.0
398.15045	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	397.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37253	38.0
52.08156	36.7
54.39109	36.8
59.01385	64.0
61.98833	100.0
63.57342	33.6
71.03739	63.6
94.78281	34.7
130.65022	33.2
199.16969	37.6
284.47464	36.8
301.57309	38.9
373.52509	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64090	5.3
57.02198	5.0
68.09626	5.9
70.33779	10.1
70.34142	14.0
78.95904	7.4
85.41199	6.1
105.58530	5.7
127.02740	5.4
134.03780	62.2
149.06110	25.9
178.02734	13.6
179.77049	5.9
193.05074	100.0
194.05341	10.6
358.42566	5.8
415.43481	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	398.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03442	0.9
58.00586	2.1
59.01386	46.6
60.01714	0.8
69.29227	0.8
71.01385	28.6
71.15489	0.6
72.65002	0.6
72.99313	3.8
73.02956	0.9
74.02472	2.2
83.01382	2.9
85.02966	6.8
87.00877	4.7
87.05630	0.9
87.75635	0.7
89.02453	19.4
95.01392	2.3
101.02451	16.9
111.01725	0.6
113.02464	8.1
114.05623	2.7
115.08794	6.4
116.07186	6.1
119.03518	7.2
120.01192	0.8
120.08238	1.0
129.10332	1.4
130.08730	4.3
133.02948	1.5
134.06128	0.9
135.04553	1.1
143.03546	0.9
143.11986	1.1
146.06186	1.1
148.07700	24.0
155.08360	0.9
160.08879	1.3
161.02489	4.8
161.04604	1.3
162.05602	0.9
162.09291	1.3
166.08644	1.0
169.09915	1.1
174.05585	1.4
175.06409	1.8
175.11296	4.8
176.07176	4.9
185.16577	1.9
190.08743	12.6
200.07167	1.4
218.08234	65.5
219.08441	4.3
219.10382	4.1
236.09258	1.2
256.20395	1.6
277.25677	0.6
338.06296	0.7
355.27377	0.8
398.14578	100.0
399.15018	12.4
399.26123	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	398.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50797	42.2
53.54054	42.2
59.01363	61.0
61.98855	57.1
70.57492	100.0
70.57871	87.8
84.28467	46.1
151.28923	46.6
181.02408	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55698	2.6
55.31137	2.5
59.01379	5.8
61.53452	2.8
63.10841	2.2
66.02298	2.8
69.44202	16.5
77.03973	2.9
81.01711	2.7
84.60087	2.4
95.05040	5.4
97.15435	3.1
105.03458	19.8
123.04574	5.8
133.02974	100.0
134.03307	2.8
135.04550	5.2
147.04472	2.7
149.02458	6.2
151.04091	3.1
161.02469	14.4
162.31607	3.0
163.95061	2.5
175.04050	2.7
177.01930	56.5
178.02237	3.5
259.54678	2.6
267.18311	3.6
278.51666	2.7
279.05142	3.0
341.08609	8.6
400.22104	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	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94624	2.8
59.01363	4.3
64.12904	2.4
69.18097	22.3
77.03982	2.5
85.34274	2.4
89.03947	3.1
95.05032	5.8
100.90043	2.5
105.03476	18.7
123.04502	7.0
131.08237	2.9
133.02971	100.0
147.04530	3.0
149.02440	4.3
149.82428	2.7
156.07610	2.3
161.02469	10.2
175.04005	4.4
177.01956	54.6
178.02298	3.8
229.27940	2.5
253.12967	2.4
278.54025	2.7
293.22931	2.5
400.21201	2.5
403.97958	2.7
412.99774	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03445	4.0
58.00600	1.9
58.02963	2.3
59.01385	46.7
60.19589	1.4
66.35439	1.5
71.01385	60.1
72.99306	2.6
73.02954	15.3
73.04068	2.2
74.02469	3.5
75.00866	1.6
81.03448	2.7
82.03035	1.4
83.01363	7.0
85.02958	23.9
87.00870	4.9
89.02451	25.7
95.01401	3.9
95.12532	1.5
96.00930	2.4
99.00894	7.6
101.02447	52.1
102.05615	7.2
111.00826	1.8
113.02458	26.3
114.05593	3.1
115.08771	2.5
116.07199	17.1
119.03510	12.1
121.02968	5.6
125.02458	1.8
128.03542	21.5
129.10352	20.6
130.08751	31.6
131.08269	1.9
133.10263	1.7
140.07158	3.0
143.03526	3.8
143.11919	5.3
145.06531	1.8
146.04616	4.5
155.55225	1.4
159.02980	5.9
160.08926	8.8
161.04565	31.3
161.09601	3.0
169.09779	2.7
171.15067	2.8
173.09695	1.6
175.11292	17.2
176.21660	1.4
179.05623	2.8
183.15190	1.6
185.16582	10.0
186.12444	3.0
187.10962	2.0
193.12354	2.4
194.11926	1.8
199.18405	1.7
205.03564	2.6
209.09425	2.0
211.14433	1.9
219.10272	22.1
227.07111	4.1
229.15565	3.0
242.18840	7.6
251.11372	100.0
252.11655	4.7
271.16739	7.2
323.97610	1.8
337.93130	1.5
355.27179	2.4
399.12183	3.0
399.13507	2.8
399.17532	11.7
399.26215	52.0
400.20914	14.5
400.26517	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39857	1.2
54.32375	1.3
54.64437	1.5
55.01867	2.3
59.01388	20.1
69.45475	10.9
71.01388	40.7
72.17044	1.3
73.02953	10.4
74.02465	3.9
78.95911	2.6
83.01399	3.5
85.02958	19.2
88.04026	3.4
88.20862	1.3
89.02450	13.0
89.46442	1.4
95.01392	2.7
99.00906	4.2
101.02453	24.4
107.35126	1.4
113.01746	2.1
113.02469	20.2
115.00367	2.1
117.20517	1.5
119.03487	4.5
121.06625	11.1
129.10355	4.7
137.09735	100.0
138.10077	3.1
159.03009	4.2
161.04582	17.9
163.12701	1.9
236.73271	1.3
277.62424	1.4
307.91537	1.9
355.26498	2.5
370.23499	2.4
399.16565	6.2
399.25467	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88541	8.9
59.01395	21.7
69.06796	72.0
69.07204	21.1
71.01385	39.1
72.10947	7.1
85.02924	11.1
88.04046	65.0
101.02462	21.9
113.02408	13.0
115.00382	10.2
116.92799	10.6
121.03795	8.9
135.89584	7.0
137.09749	35.3
149.59161	10.1
161.04575	13.4
251.11365	14.1
265.23001	11.0
283.24054	10.0
284.22446	27.2
355.26138	20.0
399.25180	100.0
400.25500	15.0
402.81302	10.0
418.02640	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	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76870	1.1
55.01876	1.6
57.03447	3.0
58.00594	2.9
58.04095	1.4
59.01383	73.5
61.98841	7.4
66.03506	1.2
69.12379	10.7
71.01386	59.5
71.02470	2.4
72.99303	6.6
73.02938	3.9
73.04080	7.6
74.02508	2.3
75.00880	3.1
82.06606	1.8
83.01383	2.8
85.02950	15.4
87.00868	5.0
87.05650	1.7
88.04038	7.2
89.02453	58.6
95.01366	5.3
97.02956	1.8
97.06566	1.4
98.07259	1.0
98.21719	1.9
101.02448	36.4
103.05143	15.5
107.05018	1.6
108.02208	1.0
109.02926	2.0
113.02457	21.6
113.07210	3.7
114.05614	50.0
115.08790	2.5
116.07241	1.1
119.03508	28.4
119.04985	1.5
123.08154	1.2
125.02477	1.2
125.06074	4.2
126.05630	1.9
129.10362	4.8
130.08755	91.2
130.09821	5.7
131.03485	2.2
131.08234	1.3
131.09114	3.3
133.02977	3.3
135.04521	3.5
137.02455	1.7
137.06100	5.1
137.09724	1.5
138.03201	1.3
139.04060	5.8
139.07674	1.9
139.08769	1.5
140.07214	9.7
141.10390	1.5
143.03502	4.3
143.11926	1.7
149.04572	2.4
149.06088	1.6
149.09738	3.3
151.07643	2.5
153.09175	2.0
155.79164	1.1
159.08188	6.5
161.02480	10.1
161.04575	6.3
161.05818	1.3
161.09689	1.8
165.09267	1.5
167.11935	1.2
173.09724	1.5
175.03987	1.7
175.07764	1.6
175.11295	32.8
176.11615	2.5
177.02063	2.0
177.09213	8.8
179.03406	1.6
179.05656	5.1
179.07077	1.2
179.10696	1.4
180.10233	2.1
181.08719	6.0
182.15450	2.3
183.14963	1.6
185.06059	9.0
186.06818	4.7
189.09242	2.8
191.10756	1.4
197.12933	3.1
198.16124	2.0
199.18156	22.0
200.17590	5.6
201.09216	37.5
201.11049	2.5
202.09584	3.3
203.07169	3.7
203.10706	1.8
204.07889	8.0
207.10284	3.6
211.07646	1.9
217.08704	1.4
218.09558	1.2
219.10272	48.0
220.10568	3.5
226.15633	8.4
227.14070	3.0
237.11281	8.2
243.17021	1.6
251.15108	2.9
264.86768	1.4
268.17795	5.1
268.20383	2.6
284.16174	3.2
313.26111	21.9
314.26349	3.1
325.22488	2.2
355.27930	1.1
357.25046	4.1
382.24673	16.2
383.24893	2.5
399.16614	21.8
399.22424	14.4
399.27213	100.0
400.16711	3.0
400.22217	8.5
400.27560	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	399.2726
Annotation	Arg Leu Ile
Peak:m/z	Relative Intensity
54.66525	0.9
57.03431	1.3
58.00600	1.7
58.04093	1.0
59.01380	30.7
60.14587	1.1
61.98566	1.0
61.98837	12.1
69.56196	5.6
69.75829	1.0
71.01383	23.4
71.02489	1.6
72.99307	3.4
73.02939	2.6
73.04071	3.2
74.02480	2.6
75.00863	1.6
82.06618	1.9
82.61172	0.8
83.06146	1.1
85.02960	7.6
87.00877	2.7
87.05650	3.1
88.04047	10.3
89.02456	25.3
95.01395	2.1
98.02483	1.1
99.00885	2.1
100.89097	1.0
101.02454	17.8
103.05131	4.8
110.02501	1.2
113.02459	11.4
113.03243	1.0
113.03577	1.7
113.07220	2.1
114.05614	26.0
115.08750	2.2
116.07142	1.1
117.06700	1.3
119.03525	13.4
119.05048	1.7
125.06126	2.0
128.03543	1.2
129.10347	5.9
130.08757	75.2
130.09825	6.4
131.03465	1.1
131.09081	2.9
133.02919	1.5
135.04570	2.0
137.06062	2.7
139.04007	2.5
139.07652	1.1
139.08736	1.2
140.07205	8.3
140.08260	1.8
143.11880	1.9
149.04558	1.1
149.09720	1.5
151.07668	1.3
153.09230	1.5
154.09937	1.1
159.08148	2.8
159.09412	0.9
159.27975	1.0
161.02527	1.9
161.04538	2.4
161.09618	1.2
163.04028	1.1
165.09279	1.1
175.07703	1.0
175.11281	17.6
176.11696	1.0
177.09239	3.0
179.03749	1.0
179.05670	2.6
181.08650	2.4
182.15536	2.3
185.06168	2.1
186.06848	1.3
189.09232	2.0
191.10744	1.2
193.03473	1.3
196.09885	1.4
196.14561	1.1
197.12926	1.1
198.16159	1.4
199.18163	15.9
200.17682	4.3
201.09212	16.0
202.09515	1.2
203.07138	1.5
204.07915	2.6
207.10321	1.4
209.12881	1.3
211.07690	2.1
217.08754	2.3
218.09355	1.2
219.10242	26.8
220.10661	1.5
226.15637	6.4
227.14056	1.5
231.42566	1.0
237.11281	7.0
238.11633	1.2
242.18753	1.6
251.15138	1.8
254.18610	1.7
256.20328	1.1
268.17871	4.9
284.16202	2.6
313.26123	17.1
314.26361	2.0
336.58173	1.0
355.19891	3.1
357.25009	5.8
382.24640	11.6
383.24896	2.0
399.17422	11.1
399.22647	6.5
399.27234	100.0
400.17130	2.0
400.22064	9.1
400.27548	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	399.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48397	27.5
65.58988	31.4
69.96513	58.8
69.96928	100.0
98.22358	50.5
135.48088	31.1
155.21228	35.5
176.45915	31.1
225.79164	29.6
373.74854	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03454	3.1
58.00594	2.5
58.44299	2.2
58.74909	2.0
59.01379	38.2
71.00750	2.2
71.01385	40.2
72.01725	2.1
72.99311	3.6
73.02940	10.0
73.04080	6.6
75.00860	4.4
79.08545	2.0
83.01382	7.0
85.02946	20.4
87.00866	4.1
87.05669	4.0
88.04060	5.4
89.02461	15.6
95.01399	4.6
96.00827	2.0
96.64571	1.8
98.02493	2.7
98.21725	4.6
99.00896	6.4
101.02450	27.2
102.02771	2.0
113.02461	14.9
114.02824	2.7
116.07150	2.6
119.03481	6.3
123.08199	3.3
125.09641	2.3
128.03548	4.7
129.10332	3.3
130.08733	17.9
143.11923	7.5
159.03033	2.9
161.04541	16.0
161.09691	2.8
162.04912	2.9
162.10127	4.1
165.09050	2.3
169.09785	2.5
177.12874	7.0
186.12633	2.9
195.13855	2.5
202.09578	3.3
219.10280	2.1
220.10500	2.8
221.11853	6.4
237.11362	2.1
238.11609	4.8
251.11417	4.4
252.11855	4.3
256.20322	7.8
307.41309	2.1
357.15338	4.2
357.21439	10.7
358.15811	3.1
371.22964	3.4
382.16110	4.1
400.16882	4.6
401.18262	100.0
401.23883	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	400.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
60.80335	1.2
61.98839	2.6
68.24919	1.3
70.07534	3.0
70.07924	2.6
72.91923	1.2
96.97835	1.1
121.02934	2.8
133.02972	24.3
135.04564	1.5
145.41142	1.6
161.02454	100.0
162.02757	5.1
171.22185	1.3
183.13972	1.8
189.22612	1.2
210.26968	1.1
211.13419	22.7
212.13632	1.3
249.81396	1.3
313.07202	1.5
352.09125	1.2
356.09946	1.5
400.17438	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	400.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89460	4.6
59.01384	100.0
60.69780	4.3
69.06700	41.4
69.07112	5.6
71.01395	46.2
72.99316	7.6
73.02926	4.3
83.01412	4.4
85.02955	9.0
89.02464	59.9
98.21729	8.3
101.02437	31.2
111.63649	4.6
113.02461	21.4
119.03496	25.7
131.22617	4.1
133.84926	3.9
176.35722	5.0
211.13507	21.3
220.13431	77.3
230.63524	5.3
317.68561	4.8
369.10101	4.2
400.19836	82.3
401.13559	12.8
401.19888	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	401.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54367	8.1
59.01382	8.6
73.14771	7.3
78.87950	8.0
93.03484	13.2
107.05058	10.6
111.84010	7.6
119.05029	79.9
120.05295	7.7
149.06136	10.3
163.04013	71.3
165.05582	100.0
193.05064	11.2
279.35638	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	401.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51895	1.9
57.03444	4.0
58.00603	4.9
59.01385	10.0
61.98845	2.5
70.95100	3.5
71.01370	6.7
72.99321	8.1
75.00863	1.9
81.03445	10.0
83.01392	2.4
83.05001	2.6
87.00857	4.8
89.02477	2.1
93.03433	13.3
95.05009	3.4
97.02953	3.0
99.00885	2.9
107.05030	9.1
109.06608	5.8
112.98843	3.3
114.05616	7.3
119.05034	56.2
121.02978	3.3
127.04019	5.0
133.02942	2.0
135.03015	1.9
135.04510	3.0
137.06133	4.4
139.86665	2.1
144.68877	2.2
147.04550	3.7
149.06094	11.4
153.05556	2.4
161.02484	2.7
163.04016	38.4
165.05577	100.0
165.82576	1.9
166.05884	4.3
175.03955	3.2
179.03557	6.4
181.05096	4.3
193.05023	17.2
209.04553	3.4
237.04073	2.5
255.05078	33.9
256.05353	2.8
320.46570	1.9
344.47336	2.2
401.18134	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.1
59.66045	2.0
61.98834	22.4
69.17702	17.6
70.56065	1.8
71.01373	7.8
71.36982	2.2
73.02966	4.4
74.02464	4.5
76.99123	2.2
83.01411	2.1
85.02946	6.0
87.00356	3.9
87.00886	64.3
88.04015	3.4
90.89779	2.1
101.02444	4.7
111.00804	2.6
113.02442	3.0
121.02998	3.0
123.00882	6.1
128.03539	7.2
129.10284	3.3
130.06190	2.2
131.04625	2.5
131.08301	3.3
133.02983	3.4
135.04524	3.1
138.03185	2.5
143.11914	3.0
149.02420	5.5
151.00385	4.8
151.04030	2.7
153.05556	3.3
155.20660	2.6
161.02490	13.9
163.04007	27.5
164.04817	20.0
165.05530	4.2
166.02692	7.1
175.03954	4.5
176.04793	17.6
177.01950	4.8
177.05437	3.8
178.06401	21.9
179.03549	13.6
179.07133	33.6
181.05072	9.1
187.10783	2.6
188.04863	2.8
190.02644	3.2
191.03532	26.7
191.07135	8.4
192.04218	3.1
193.05087	10.3
193.08725	3.8
194.05894	10.6
203.03481	8.1
204.04372	2.5
205.01404	2.3
205.05032	14.5
206.05827	9.2
209.08195	15.7
217.05130	2.4
218.05696	4.4
219.02975	6.4
220.03700	3.2
221.04514	5.8
221.08214	7.5
222.05185	2.4
231.02936	3.4
234.05315	5.9
235.06062	3.4
237.07695	7.4
238.04829	4.1
239.09277	2.3
243.14693	2.1
247.02504	8.0
247.06102	4.6
249.07642	6.6
250.04932	3.2
251.09247	4.8
262.04819	9.2
265.07175	69.4
266.07532	5.1
268.99634	2.3
277.07187	38.8
278.07590	2.9
295.08246	96.8
296.08627	8.5
302.96417	2.1
337.09274	4.8
355.10339	20.9
356.10538	2.4
358.17480	5.7
372.19107	2.8
383.09845	7.7
401.10898	100.0
401.19922	5.5
402.11301	9.1
402.20065	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	401.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95545	12.9
56.65587	13.1
59.01383	99.4
69.67907	22.8
69.68318	53.6
71.01378	64.2
72.26266	13.5
85.02956	33.1
87.00871	58.8
89.02444	68.2
97.02982	17.3
98.22461	13.7
101.02457	17.6
111.00891	92.9
113.02451	36.9
115.00389	51.8
119.03545	26.9
123.92628	16.4
125.00982	16.5
126.98885	42.7
133.01474	76.1
142.96608	18.1
155.05658	20.0
168.99959	22.8
179.05600	29.9
183.01505	47.0
191.02002	100.0
208.99411	90.7
227.00415	17.7
239.09251	19.8
253.01988	34.9
288.91049	16.0
296.93265	19.0
297.00992	55.4
341.10876	91.6
342.11035	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	401.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34255	0.9
54.76839	1.0
59.01360	1.3
60.46689	1.1
61.98847	1.6
69.24632	2.9
69.25053	5.7
71.01376	1.0
74.89255	1.0
82.02952	1.0
122.74146	0.9
145.54872	1.0
160.04092	1.3
164.72780	1.1
188.03484	2.4
196.07703	1.0
198.04439	1.3
209.07071	1.6
211.05106	1.4
212.07321	5.6
225.06723	1.6
226.03853	3.5
227.08279	2.9
239.04585	2.3
239.08301	2.7
240.05222	6.1
241.06137	4.3
251.08289	2.3
253.06160	3.1
254.07002	2.8
255.07796	10.5
256.08414	1.6
265.06268	2.0
265.09714	1.9
266.06946	1.6
267.04141	11.4
267.07748	4.6
268.04947	2.1
268.08139	1.7
280.04971	1.3
281.05820	2.2
281.09286	5.8
282.02802	2.1
282.06525	3.0
283.07303	9.4
291.07813	1.2
293.05893	2.6
293.09253	1.5
294.06845	1.5
295.07254	6.7
299.06812	1.3
309.08835	13.2
310.09332	1.5
315.09833	7.1
327.09775	2.4
337.08423	6.7
341.11490	1.8
369.06256	1.6
369.10956	32.2
370.11334	3.0
401.13565	100.0
402.13864	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	401.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
69.93452	5.5
88.04021	1.4
134.03763	8.0
142.03162	1.1
146.03766	24.8
149.06120	3.2
161.06075	5.7
164.04825	18.4
171.00665	1.2
178.02684	2.0
179.07172	60.4
180.07466	2.1
193.05067	12.3
204.42426	1.3
219.91261	1.4
280.37250	1.6
339.84677	1.4
401.14673	1.8
401.23248	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	401.1456
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
50.81073	3.7
55.01887	5.5
57.03452	5.3
59.01390	42.2
62.76897	3.4
69.03455	3.2
70.66196	10.7
71.01390	100.0
73.02955	35.3
74.02480	8.8
77.01166	2.9
79.16687	2.8
83.01402	12.0
85.02967	46.4
87.00895	3.6
89.02446	24.9
95.01391	4.8
97.02963	3.7
99.00893	20.1
101.02455	74.0
113.02451	38.2
124.19252	3.9
125.02448	9.2
129.10370	7.7
130.08734	6.9
131.03502	3.2
143.03522	4.7
143.11902	5.3
159.03000	6.4
161.04565	61.2
233.06630	6.9
269.10306	96.8
270.10748	5.6
357.21448	20.0
373.33868	3.6
401.14539	88.3
402.14990	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	401.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90124	1.3
59.01388	100.0
62.30227	1.1
63.25419	1.4
70.82288	2.2
71.01388	1.9
72.69181	1.3
73.38137	1.2
89.02448	2.5
113.02448	1.9
115.33334	1.4
146.03767	23.2
147.04185	1.8
152.18987	1.4
161.06067	7.6
164.04839	14.9
179.07161	59.5
180.07532	3.0
186.34004	1.3
252.30937	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	401.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03564	1.7
54.72494	1.6
57.03447	2.2
59.01400	10.0
61.98829	5.6
69.10847	14.4
71.01391	4.6
73.02934	1.6
85.02949	4.1
89.02444	6.3
91.04025	11.4
97.06584	3.1
101.66230	1.7
113.02496	4.1
139.79495	1.5
161.04541	1.5
165.12714	2.0
171.10312	3.4
177.12819	7.3
183.13950	2.1
195.13930	100.0
196.14233	5.4
211.13451	14.6
221.11826	5.7
229.14439	8.1
239.12910	75.4
240.13289	5.7
263.12894	3.2
291.19672	4.5
309.20731	5.9
327.17987	3.4
327.21786	54.0
328.22159	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	401.1819
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.67248	0.7
57.03443	3.2
59.01383	25.1
66.12932	0.7
69.43993	5.2
71.01386	19.1
71.03866	0.7
72.99341	1.1
73.02950	3.8
73.04066	11.4
74.02452	1.0
78.89290	0.7
83.01399	2.3
85.02957	7.4
85.64294	0.7
87.00887	1.6
89.02447	11.1
95.01398	1.9
99.00911	1.8
101.02457	13.0
109.96192	0.8
113.02454	6.2
113.44323	0.8
117.06728	1.8
119.03512	5.7
119.08646	1.0
121.06630	1.0
123.08163	1.5
129.10408	0.8
130.06241	1.5
130.08749	21.6
131.09129	1.3
135.14510	0.7
136.72462	0.8
137.09737	12.1
143.11957	4.1
151.11304	2.5
152.07146	1.5
161.04581	1.6
168.09187	1.0
169.09813	2.0
177.12836	4.7
182.46312	0.8
186.12416	1.3
195.13927	1.6
199.18181	5.1
200.14114	1.0
221.11938	4.2
226.12025	1.5
227.51439	0.9
239.12907	20.7
239.15359	1.2
240.13409	0.9
243.17184	1.7
256.20328	5.8
270.21893	0.9
284.22247	0.8
311.45010	0.7
357.21463	18.1
358.21991	1.1
371.23083	2.0
401.18277	100.0
401.24072	17.3
402.18622	10.6
402.24377	2.1
419.80008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
55.84795	0.6
57.03450	2.0
57.30872	0.6
58.00597	3.8
59.01386	100.0
60.01728	1.2
61.98848	1.3
64.50753	0.6
66.56821	0.6
68.51381	0.7
70.30846	2.1
71.01392	63.7
72.01740	1.0
72.99312	3.9
73.02964	2.7
73.04093	2.9
74.02493	1.8
83.01400	2.3
85.02962	13.1
87.00900	2.7
88.04055	14.6
89.02457	77.5
90.02822	1.2
95.01386	4.1
96.00952	1.0
99.00887	1.0
101.02454	31.8
102.02812	0.9
110.78809	0.7
113.02467	24.5
114.02818	0.9
115.00344	3.0
115.08830	1.4
119.03523	28.9
120.03912	0.8
127.05213	0.7
129.10367	6.6
130.08812	1.7
131.03554	2.7
132.03079	2.6
136.05327	0.7
138.06900	1.4
143.03540	3.7
143.11935	1.3
149.04620	2.0
151.07710	0.8
153.09312	1.5
155.08302	1.0
161.04564	3.2
161.09868	0.9
164.08472	1.0
165.09267	1.4
169.09909	1.2
170.05823	0.7
172.11006	0.8
179.05615	4.5
179.10753	1.5
187.07744	1.8
187.10976	2.1
193.13541	0.9
200.14114	1.0
203.10779	5.5
206.09486	5.9
210.16194	2.2
221.11873	9.3
222.12236	1.4
228.17270	0.8
239.09375	1.2
267.18231	4.3
268.18649	0.7
285.19510	3.5
286.17950	2.8
357.21478	15.4
358.21991	1.4
366.16888	1.9
379.69424	0.8
382.01959	0.7
383.19482	1.4
401.20264	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	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11422	0.8
55.01885	3.5
56.91631	1.0
57.03465	6.8
57.03685	1.1
58.00602	3.5
59.01386	81.1
59.79860	1.1
61.98838	2.3
69.03477	1.3
71.01390	100.0
71.32207	1.6
72.99322	4.4
73.02953	22.8
73.04079	16.1
74.02483	24.6
75.00871	2.2
83.01397	8.8
83.02491	1.9
84.00935	1.2
85.02962	34.5
87.00874	6.0
87.05620	1.1
88.04060	2.1
89.02459	56.2
89.81881	1.3
95.01379	6.6
97.02961	1.5
99.00903	6.8
101.02455	57.2
113.02467	39.6
113.03344	1.9
113.03610	2.3
114.05634	3.5
118.05133	1.6
119.03523	20.7
125.02458	4.8
126.09241	1.7
128.03497	1.3
129.01968	1.7
129.10341	5.4
130.08739	6.8
131.03548	2.4
137.09795	3.8
139.08727	1.3
141.10390	1.3
143.03545	4.8
143.11917	15.5
151.04102	1.1
159.02994	5.6
161.02522	1.8
161.04579	31.1
161.09749	2.5
165.09193	2.1
165.12839	2.4
168.11479	2.5
169.09863	4.8
169.13684	1.5
175.11308	2.4
177.12856	7.4
179.05693	3.9
179.10834	3.4
186.12485	8.3
187.10954	4.7
195.13905	8.8
196.14226	1.5
197.16661	1.8
203.10774	5.2
203.12637	1.0
206.09444	2.5
208.13440	4.7
210.12526	2.5
221.11848	7.9
225.16158	1.5
228.13528	3.6
234.64656	1.2
239.12970	1.4
256.20245	10.7
300.19437	1.9
313.10745	1.5
313.14111	1.5
313.22534	2.2
357.21454	30.7
358.21759	3.4
401.18301	11.3
401.24146	15.8
402.18869	2.4
402.24039	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	401.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96357	13.7
59.01386	72.8
69.73487	44.6
69.73894	27.6
71.01389	23.1
74.02461	48.9
78.73741	13.8
80.64748	12.9
88.04047	21.5
96.00889	29.1
127.05135	13.7
146.03722	13.8
151.69398	16.6
179.07138	37.7
198.47784	17.3
366.16858	100.0
367.17365	17.9
383.19553	22.8
401.20468	15.4
417.47943	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	401.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25234	1.6
57.03442	2.6
59.01387	28.8
61.98832	4.0
71.01393	30.7
71.02480	4.1
71.32060	2.0
72.00905	2.4
73.02959	3.9
73.04079	53.9
74.02484	72.7
75.00858	1.6
80.05084	2.1
82.06600	2.1
83.05013	1.7
84.00880	1.9
85.02969	10.7
85.04076	1.7
87.00880	1.8
87.05649	5.1
88.04053	30.1
89.02456	24.1
93.06412	2.0
95.01382	2.8
96.96042	2.5
97.06593	2.1
98.02483	2.8
101.02455	16.2
103.05161	5.6
104.03555	1.8
110.02470	1.9
112.02805	6.6
113.02455	7.8
113.03560	2.3
114.05612	7.9
117.06708	4.3
118.05125	3.4
119.03499	7.1
125.02495	2.0
126.05725	2.3
126.09290	2.9
127.05148	3.2
128.03583	2.5
129.01881	2.1
129.10365	27.7
130.08768	27.5
132.39166	1.8
135.08099	2.0
137.09737	5.0
137.72722	1.6
138.10112	1.9
139.08763	5.9
140.07179	2.6
141.10370	4.3
142.67387	1.6
143.11922	45.8
144.12244	2.1
146.03703	1.9
147.04527	3.4
153.10324	4.9
155.08203	1.8
157.13472	3.6
161.04579	5.5
167.08296	2.4
169.09846	16.4
169.13448	2.9
179.10748	3.6
180.10202	2.1
180.45479	2.0
182.08183	1.9
183.11485	2.7
186.12564	16.4
187.10945	13.2
195.05090	2.1
197.16580	3.0
200.14038	8.8
201.12485	3.4
208.13441	9.2
221.11855	6.6
225.16145	3.5
256.17819	3.3
256.20319	32.1
257.20547	3.1
269.10397	2.6
269.15091	5.1
282.18369	3.9
298.08661	2.1
313.22351	8.6
339.24121	3.0
357.16885	6.1
357.21445	100.0
358.21710	11.5
366.16605	5.2
371.22986	12.5
372.23239	2.9
383.23041	4.2
401.18582	8.7
401.24057	65.3
402.24475	8.6
426.87372	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	401.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	0.9
59.01383	27.2
61.98829	3.6
66.84212	0.9
67.08995	0.9
71.01386	19.1
72.99317	2.0
73.02947	1.6
73.04066	2.7
74.02467	3.1
75.45764	0.7
85.02959	4.4
87.05647	1.6
88.04048	90.9
89.02446	18.2
89.04372	2.1
94.44615	0.8
96.00943	1.0
97.70518	0.9
98.21809	2.0
101.02450	9.7
109.01688	1.6
112.07720	0.9
113.02460	6.2
114.05620	1.5
115.00385	2.8
115.08785	5.8
116.07173	1.1
119.03513	6.6
125.07219	1.4
126.04345	2.8
127.08777	1.1
129.10353	46.4
130.08711	2.0
130.10686	1.8
132.03018	1.8
138.05634	2.7
139.08760	1.0
141.10313	1.0
143.03548	1.1
143.11908	12.6
146.03781	1.0
146.23468	0.8
153.09181	2.1
155.08281	1.8
161.04599	0.9
164.35739	0.7
165.44229	0.8
169.09875	5.7
172.10872	2.3
179.07115	9.1
180.07697	0.8
186.12520	3.0
187.10886	15.5
187.12543	1.0
193.13445	1.0
194.11885	1.1
200.14032	7.4
203.10690	1.4
206.09570	1.5
210.07748	1.2
210.16087	1.4
214.15686	1.4
221.11798	3.3
224.17653	2.8
239.09264	14.7
240.09886	1.0
242.18704	1.0
253.08441	0.9
267.09854	4.7
267.18274	4.8
268.16663	2.2
271.17752	1.3
285.19339	3.2
286.17474	1.0
309.04498	0.9
313.22351	2.4
357.21448	100.0
358.21707	9.2
383.19272	2.1
384.19257	0.9
401.14471	3.8
401.20251	5.9
401.24139	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	402.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	67.3
61.98822	23.7
69.32371	73.2
69.70927	10.3
70.03019	8.4
71.01405	45.1
73.02945	10.9
73.04098	8.3
74.02472	77.3
80.00095	9.3
85.02965	19.6
88.04034	61.4
89.02457	36.1
89.04396	8.2
90.59850	9.2
96.00914	25.9
101.02480	36.5
104.03558	18.0
109.02972	21.9
109.30539	9.2
113.02456	21.0
113.03579	16.0
114.01934	9.1
116.92822	8.7
120.63876	9.4
123.75628	8.2
127.05179	12.3
129.10341	24.4
135.04533	37.4
139.44794	9.4
141.06654	10.1
143.11972	15.6
148.07849	7.7
153.09204	10.3
163.04047	16.9
170.45543	9.8
179.03555	21.9
179.59679	8.6
196.06110	13.1
200.80096	9.9
203.35570	9.8
222.07619	8.5
222.12387	18.3
251.05409	9.2
272.18018	10.6
286.20050	12.7
300.10092	21.4
315.12378	52.7
317.65491	10.2
358.21948	53.4
367.16852	100.0
372.19736	17.6
384.19388	19.2
402.20511	30.9
403.20551	22.6
423.43646	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74919	4.2
55.01876	13.0
56.39785	4.0
56.73852	4.3
57.03450	4.2
59.01375	14.6
61.98843	4.5
71.01381	7.3
71.08327	6.5
74.02480	5.3
76.52965	4.0
81.03478	17.7
87.04521	5.0
93.03477	6.0
95.05034	6.5
96.00915	7.0
99.00894	56.4
107.05038	36.7
111.00901	8.6
113.03593	5.6
113.06072	4.9
115.00441	5.4
119.05029	6.4
119.08660	9.1
121.06611	36.4
124.01689	17.1
125.02474	29.2
128.03586	9.9
130.08736	11.8
133.01442	8.8
133.06654	7.7
135.04529	7.1
135.08212	37.2
137.02444	5.2
139.04053	10.9
139.07672	17.4
145.06619	8.1
147.04582	25.2
148.05336	4.8
151.04015	19.2
151.07664	7.5
161.02499	5.4
161.06104	10.5
163.07666	100.0
164.08034	7.4
179.07144	18.9
182.39862	4.3
191.03607	5.2
207.06651	85.5
223.06171	17.8
239.09267	15.4
251.05649	99.8
252.05928	9.7
281.11472	13.7
295.04642	25.7
327.07208	4.9
368.14801	5.9
385.17221	8.0
403.18225	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	403.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74919	4.2
55.01876	13.0
56.39785	4.0
56.73852	4.3
57.03450	4.2
59.01375	14.6
61.98843	4.5
71.01381	7.3
71.08327	6.5
74.02480	5.3
76.52965	4.0
81.03478	17.7
87.04521	5.0
93.03477	6.0
95.05034	6.5
96.00915	7.0
99.00894	56.4
107.05038	36.7
111.00901	8.6
113.03593	5.6
113.06072	4.9
115.00441	5.4
119.05029	6.4
119.08660	9.1
121.06611	36.4
124.01689	17.1
125.02474	29.2
128.03586	9.9
130.08736	11.8
133.01442	8.8
133.06654	7.7
135.04529	7.1
135.08212	37.2
137.02444	5.2
139.04053	10.9
139.07672	17.4
145.06619	8.1
147.04582	25.2
148.05336	4.8
151.04015	19.2
151.07664	7.5
161.02499	5.4
161.06104	10.5
163.07666	100.0
164.08034	7.4
179.07144	18.9
182.39862	4.3
191.03607	5.2
207.06651	85.5
223.06171	17.8
239.09267	15.4
251.05649	99.8
252.05928	9.7
281.11472	13.7
295.04642	25.7
327.07208	4.9
368.14801	5.9
385.17221	8.0
403.18225	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	403.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
58.69464	1.1
59.01387	10.0
69.40208	0.9
69.40545	6.0
71.01392	11.0
73.02955	4.4
73.04079	2.8
74.02477	3.7
75.18958	1.3
78.70317	1.0
85.02968	2.8
89.02454	4.8
96.89397	1.1
98.22533	1.1
99.04531	2.3
101.02459	4.5
108.02190	2.1
109.02959	11.9
113.02466	3.6
115.00388	8.0
118.29416	1.3
119.03526	2.7
121.03014	1.8
122.03760	16.3
123.00889	1.0
124.01690	3.6
125.02441	3.0
128.03558	2.8
134.65750	1.0
135.04556	7.5
135.05475	1.2
137.02460	5.6
139.00388	7.1
140.01215	6.8
143.04718	1.9
143.11890	1.6
146.03784	1.1
147.04538	3.4
148.01668	9.3
148.05339	2.0
149.02441	15.6
154.02721	7.9
161.04680	1.7
161.06084	2.2
162.03215	1.7
163.04021	39.5
164.04529	2.1
168.59206	1.0
176.04839	3.9
177.05620	6.2
178.06380	2.7
179.03522	3.3
191.07173	5.3
193.05098	2.7
197.11899	2.2
205.12378	1.2
211.03960	5.0
229.05112	3.4
239.03577	6.3
239.07181	5.4
240.04185	1.8
241.10802	2.6
256.03818	1.9
257.04605	7.3
257.08243	1.5
267.06787	5.4
268.07156	1.9
270.05347	1.5
272.06927	6.4
284.07040	1.6
285.07751	8.2
286.08368	1.3
287.09277	7.0
299.09464	2.8
300.10074	42.6
301.10498	3.0
313.10858	1.4
315.12418	100.0
316.12720	11.7
358.21954	1.4
359.11362	2.2
359.22147	4.1
403.10474	11.6
403.19861	1.8
403.24585	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	403.1039
Annotation	Moracin M 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03461	0.2
59.01386	3.5
68.54504	0.2
69.03452	0.2
69.28159	1.3
71.01381	1.0
72.00961	0.2
73.02935	0.6
73.04077	0.4
74.02470	1.3
83.01434	0.3
83.11456	0.2
85.02942	0.3
89.02458	0.8
95.21581	0.2
95.45926	0.1
96.00935	0.3
98.22511	0.3
101.02479	0.4
109.73064	0.2
113.02432	0.3
113.03622	0.3
116.05085	0.9
119.03493	0.3
129.10355	0.7
130.08817	0.3
135.04532	0.2
139.08807	0.2
140.07179	0.3
141.10381	0.3
142.06598	0.2
142.35461	0.2
143.11894	1.0
159.09311	0.2
169.09837	0.4
171.04543	0.5
176.03531	0.2
183.04630	0.2
185.06049	0.5
186.12518	0.8
189.94940	0.2
190.05298	0.2
195.04524	0.4
196.05278	0.4
199.10947	0.4
200.14098	0.5
203.08261	2.1
211.04001	1.1
212.04750	1.8
213.05560	3.3
214.05827	0.3
215.29340	0.2
222.07773	0.2
223.03969	0.2
224.04773	2.6
227.12891	0.2
239.03517	0.5
240.04286	13.6
241.05072	100.0
242.02933	0.4
242.05417	8.1
244.13174	0.2
257.04306	0.2
272.96335	0.2
277.84546	0.2
283.10760	0.3
287.15073	1.5
309.08710	0.3
327.09909	0.4
329.19821	0.3
360.24011	1.0
373.18814	0.4
385.18750	0.5
403.11093	2.2
403.19522	5.2
404.11102	0.2
404.20004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
58.00592	3.8
59.01382	71.9
60.01706	1.0
67.05533	0.9
71.01387	42.5
72.99306	3.4
73.02953	1.0
80.05910	1.2
83.01396	1.2
85.02956	6.6
87.00868	1.4
89.02453	53.6
95.01400	3.2
99.04505	6.3
101.02444	20.6
111.04529	1.7
112.11919	0.8
113.02451	15.6
119.03510	23.9
121.82198	0.8
124.05290	2.1
131.03487	2.7
132.57005	0.9
135.11792	5.9
143.03548	2.3
149.04559	1.7
161.04536	1.0
161.09735	3.0
179.05611	5.2
179.10783	45.6
180.11110	2.4
223.09760	100.0
224.10118	5.9
294.12747	0.9
403.16037	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	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.37597	0.9
53.35470	0.9
57.03447	3.5
59.01381	87.0
60.01713	2.0
69.32409	7.1
71.01382	15.6
72.01705	1.3
72.99304	1.2
73.02942	9.8
77.45333	1.0
83.01395	2.8
85.02970	4.7
87.00893	1.3
89.02451	13.6
95.01419	1.6
97.02972	1.1
98.21760	1.9
98.30016	1.1
99.04518	2.0
101.02454	8.8
113.02458	6.2
119.03532	3.7
119.08646	2.0
121.06584	2.4
123.08183	1.4
133.10242	2.0
135.08093	1.4
137.09749	5.1
149.06133	1.5
161.04552	4.0
161.05865	1.3
161.09729	3.0
175.52925	1.1
179.10826	5.1
181.08725	13.2
197.11830	51.4
198.12143	3.7
223.09703	6.7
241.10823	100.0
242.11215	6.3
265.10751	1.1
283.11887	2.2
284.11957	1.0
312.82666	1.1
343.17484	3.0
403.15939	4.1
403.20065	1.6
405.65576	1.2
407.41925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38914	1.4
57.03442	10.4
59.01382	39.7
61.98814	3.0
64.95401	1.5
67.80618	1.4
71.01386	24.0
71.32626	1.8
71.32975	1.8
72.99297	1.8
73.02950	89.8
73.04063	5.9
74.02482	12.0
82.02980	1.7
83.01382	1.7
85.02950	4.5
89.02455	19.3
95.01385	2.0
97.02937	2.1
97.06549	2.0
99.05627	1.9
101.02448	11.3
109.03008	2.4
113.02445	10.4
115.08788	4.2
116.05066	6.6
117.17046	1.7
119.03506	6.9
120.05815	3.2
121.06602	38.2
123.08173	7.6
125.07220	2.3
128.03539	6.3
129.10350	5.9
135.04538	42.0
135.11827	2.3
137.02365	2.3
143.04640	3.0
149.02460	2.2
149.06079	17.3
155.08321	3.5
161.04565	4.6
161.09726	19.6
163.07660	4.1
167.07118	2.5
172.10905	6.6
179.03470	13.5
179.10812	12.3
181.08615	1.8
186.12408	3.9
197.11839	63.7
198.12202	3.7
203.08269	12.0
211.03874	2.0
212.04843	1.9
213.05522	4.8
223.06230	3.0
223.09737	21.4
224.04648	2.6
230.11440	3.2
240.04301	18.2
241.05080	100.0
241.10811	86.6
242.05466	8.7
242.11110	5.3
272.08914	2.1
285.07474	2.8
286.07635	2.1
300.10065	4.5
306.07611	4.0
315.12418	8.2
315.18283	1.9
359.17322	14.2
360.17584	2.1
373.18823	4.7
403.10687	3.5
403.15860	3.8
403.20071	22.9
403.24612	3.1
404.20071	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	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91212	1.9
56.90420	2.2
59.01381	100.0
69.85273	5.5
71.01382	6.5
85.02946	2.6
91.11177	2.2
101.02467	2.9
109.02984	2.7
111.40656	2.2
148.23463	2.6
161.04604	5.3
166.06342	12.0
181.08736	19.9
196.46274	2.7
224.03348	3.2
239.89586	2.3
312.62009	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	403.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37882	0.6
57.03455	2.1
58.00602	0.7
59.01386	100.0
59.75798	0.5
60.01719	1.8
61.01823	1.1
69.03476	0.7
70.64257	1.6
71.01390	19.1
72.01731	0.9
72.99334	1.0
73.02954	9.4
78.18435	0.5
83.01398	1.4
85.01266	0.5
85.02955	4.4
87.00899	2.0
89.02456	22.5
90.02806	1.1
91.02916	1.1
95.01405	1.2
99.00905	0.8
99.04536	0.7
101.02454	13.0
102.02825	0.7
110.69686	0.5
113.02451	7.6
116.07265	0.8
119.03522	9.8
119.04326	0.5
119.05033	1.1
120.03855	0.7
121.06600	2.8
123.08248	0.5
125.02469	0.6
128.03563	1.2
131.03557	1.9
143.03555	1.6
145.23688	0.6
149.04710	0.7
149.06139	1.5
150.05792	0.5
161.04584	6.4
161.09779	1.1
163.11317	1.1
179.05640	4.3
179.06908	0.5
179.10861	2.1
179.13615	0.6
179.73317	0.5
180.11214	0.7
181.08818	1.3
186.17633	0.6
195.15561	0.5
197.11847	10.4
198.12152	0.6
223.09846	1.6
241.10852	16.5
242.11278	0.9
315.12192	0.5
327.10281	0.7
343.13773	0.7
343.17636	11.1
344.17984	0.9
359.17105	0.7
377.05267	0.6
403.19974	3.0
403.24359	0.6
404.19250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78183	2.6
59.01386	4.4
61.98829	6.2
68.54718	3.2
71.32579	3.8
73.08086	2.8
74.81377	2.8
87.85395	3.0
89.02469	5.2
91.03992	19.6
91.95081	2.9
92.97764	2.5
96.37157	2.7
99.08160	3.5
106.52583	3.7
110.93732	2.7
125.09698	3.1
127.11274	4.5
171.10269	5.4
183.13876	6.2
187.18851	3.5
211.13371	30.0
212.13792	3.2
218.76157	3.4
229.14435	21.6
241.21297	2.6
255.25517	3.2
287.05618	4.6
288.19485	2.8
311.22296	9.7
327.21692	9.9
329.23340	100.0
330.23700	9.8
403.13373	3.1
408.50009	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30125	1.2
53.61631	1.3
59.01379	3.3
61.73668	1.4
61.98834	100.0
64.51724	1.6
69.79627	6.7
71.01389	1.8
74.45752	1.5
75.32240	1.3
80.09270	1.2
85.65854	1.2
88.05562	1.2
89.02443	1.4
111.03941	1.1
133.02963	16.5
135.04544	8.0
145.41483	1.5
154.35944	1.3
161.02454	70.7
162.02808	3.5
179.03519	21.6
197.86526	1.6
202.26541	1.3
203.03513	3.0
223.63448	1.5
341.08743	31.4
342.09314	1.8
425.12567	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	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71193	2.1
54.02656	2.3
58.02972	7.8
59.01385	14.8
62.49210	2.1
71.01384	9.8
71.32433	2.9
72.00906	6.1
73.02946	4.1
73.04062	8.5
74.02483	31.9
82.03009	3.3
84.04539	2.8
86.02496	11.3
86.99141	2.5
87.05623	4.8
88.04034	2.9
89.02442	3.5
91.05493	3.7
93.17352	2.1
97.04100	3.3
99.05651	14.3
101.02442	6.0
101.07214	5.0
102.05629	2.9
112.04028	2.5
113.02523	2.1
114.05667	5.6
125.03539	3.7
127.05159	12.4
127.08759	3.1
128.03558	53.4
129.03860	2.3
129.10339	14.5
130.08746	8.4
131.09050	3.1
135.04581	5.2
135.05600	3.6
136.04927	4.0
137.96704	3.1
141.06699	5.6
143.04643	66.5
144.11415	11.4
145.06194	10.5
146.04634	4.0
147.04536	20.4
153.06718	5.4
160.00757	19.3
163.04120	2.7
164.07195	51.8
166.09805	3.3
167.04659	5.8
167.08286	4.7
170.09367	2.6
171.07745	10.2
177.03401	7.4
179.04680	10.6
181.06253	2.9
185.05792	3.5
186.16774	2.7
196.14534	2.9
197.05707	2.8
210.08875	13.6
212.17697	5.0
240.17155	11.2
248.17587	5.1
254.07838	25.2
257.19867	32.5
272.08923	33.8
288.06677	8.2
306.07675	80.1
307.07919	3.5
316.12726	6.6
318.14386	3.9
344.19949	3.2
361.26074	7.2
370.72562	2.6
373.20837	3.9
374.20975	5.9
375.16849	10.2
392.46188	2.5
404.22662	5.9
405.17175	19.3
405.25253	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	404.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	95.6
70.61746	100.0
97.14847	43.1
125.49782	42.4
370.00259	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77972	2.4
59.01387	2.6
61.98838	30.4
69.03453	7.0
71.15800	4.2
71.16118	3.3
72.99315	6.3
78.95967	2.8
84.49567	3.0
87.00869	3.5
99.04561	2.9
102.94402	12.1
113.09719	2.7
133.01480	3.2
148.96774	3.0
165.39528	2.8
180.99100	100.0
181.99490	4.7
185.30737	2.7
193.95319	2.9
218.24745	2.7
224.98088	99.8
225.98428	3.1
308.57919	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.6
58.00581	2.2
59.01385	40.6
61.98810	2.1
69.28227	9.0
69.28648	6.0
71.01390	28.6
71.09981	2.0
73.02950	4.8
80.77051	1.9
85.02959	9.7
85.06581	3.5
85.21024	2.1
87.00887	3.7
89.02471	13.8
95.01394	2.7
96.96011	2.9
99.00904	5.1
101.02457	18.1
103.97378	2.1
113.02457	8.9
113.03599	2.9
114.50963	1.9
119.03499	5.4
138.22714	1.9
147.99364	2.2
155.14458	9.8
161.04539	2.7
181.16000	3.5
199.13412	16.3
207.13918	83.3
208.14235	6.4
225.14909	8.1
326.05515	2.2
345.19135	5.4
361.26227	4.7
405.16599	6.7
405.21292	100.0
406.21689	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.0
59.01379	73.3
59.07877	5.1
61.98823	5.5
66.92380	5.2
71.01391	40.3
71.33445	9.1
73.02940	13.3
73.04070	8.4
75.00867	5.5
85.02956	16.3
89.02457	22.4
99.04504	7.2
101.02458	18.7
112.01681	7.1
113.02460	15.2
117.03478	39.5
119.03522	9.2
119.05070	30.6
125.02442	7.8
130.08752	14.7
135.04558	54.9
136.04900	6.0
145.02966	100.0
145.06215	6.4
146.03287	13.0
147.04497	6.1
161.02441	31.7
161.04549	7.6
163.04016	37.3
179.03487	61.2
180.03781	5.5
207.10330	6.6
212.56992	5.7
221.04619	9.7
225.11292	7.8
243.12384	22.0
251.05566	8.6
255.00334	5.7
324.08481	47.0
324.58694	14.8
361.13043	7.2
405.16327	13.4
405.20895	10.9
405.25372	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	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34221	100.0
72.24637	12.4
114.87229	13.7
252.48602	12.6
270.39520	12.7
369.19351	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28188	0.6
58.00601	1.4
59.01383	24.4
61.90099	0.6
69.07901	0.6
70.94141	0.6
70.94476	1.2
71.01385	18.7
72.99308	1.7
73.02951	4.3
83.50048	0.5
85.02968	3.1
87.83041	0.6
89.02451	16.4
93.58340	0.6
95.01415	1.3
95.05025	1.1
99.04531	0.8
99.52110	0.6
101.02459	7.1
113.02470	5.1
119.03507	5.7
123.08004	0.5
163.11290	4.2
179.05537	0.6
181.12347	27.9
182.12718	1.4
207.10356	0.9
225.11336	100.0
226.11664	5.7
243.12352	0.9
270.10663	0.6
280.59692	0.6
338.74609	0.6
405.17609	21.2
406.17966	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62128	1.0
57.03449	100.0
58.00583	1.2
58.03780	2.2
58.39415	0.9
59.01381	73.8
70.36691	1.9
70.37054	2.2
71.01385	21.3
71.06853	0.9
73.02948	9.8
76.18661	0.9
83.01394	3.5
85.02980	3.0
87.00895	1.8
89.02444	20.6
95.01425	1.0
99.04523	72.0
100.04890	1.3
101.02454	32.6
113.02465	9.5
119.03510	7.1
123.04520	3.6
125.02448	23.0
126.02686	1.0
131.03497	1.4
143.03502	3.9
149.04570	2.0
161.04567	4.8
178.98357	1.0
179.05556	5.1
231.00172	0.9
261.13638	1.9
387.27344	1.6
405.28665	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01876	0.7
57.03437	0.8
58.00586	2.2
59.01383	58.8
60.01697	0.9
66.32250	0.6
69.33907	3.6
71.01385	64.2
71.53542	0.6
72.01725	0.8
72.99307	3.0
73.02932	1.8
78.95905	0.7
83.01379	2.2
85.02961	8.1
87.00867	1.6
89.02451	34.4
90.02788	0.6
95.01367	2.6
97.02256	0.4
98.21738	0.6
99.00948	0.6
99.47427	0.5
101.02452	19.9
105.74000	0.5
113.02460	13.7
119.03511	14.9
127.07712	0.6
127.11285	1.9
131.03488	1.8
139.11267	1.4
143.03447	1.7
149.04564	1.6
153.12856	4.0
161.04546	1.8
179.05609	4.3
181.12323	0.6
181.15883	0.8
186.95062	0.6
199.13417	8.0
207.13957	1.6
225.14932	2.6
243.15971	1.3
259.03247	0.5
353.31323	0.5
385.10394	0.6
387.20197	3.0
404.02588	0.6
405.21286	100.0
406.21671	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
59.01383	59.3
62.60130	2.2
66.91036	2.3
70.56184	5.4
70.56522	3.1
71.01382	51.1
72.43606	2.5
72.99334	2.5
81.08352	2.2
81.32409	2.3
83.01403	2.3
85.02947	6.2
89.02448	35.4
95.01386	2.4
98.99806	2.1
101.02433	19.8
113.02455	13.2
119.03522	19.0
153.12830	11.2
179.05588	5.5
199.13408	7.6
223.13441	4.7
225.14967	5.6
349.20789	2.8
358.90073	2.6
380.93692	2.3
405.21301	100.0
406.21451	11.3
425.08835	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	405.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35747	0.8
59.01385	100.0
60.76236	0.7
61.98825	3.4
70.02967	1.1
71.01392	7.4
71.02528	0.8
73.02948	3.9
73.04077	2.1
85.02953	2.1
89.02451	9.7
95.01394	1.0
98.21819	2.0
101.02453	3.6
113.02436	4.5
118.98470	0.8
119.03510	4.5
127.05155	3.1
129.10323	1.6
130.08757	16.7
131.27847	0.8
139.11290	1.0
143.03481	1.1
144.07790	2.8
147.04523	1.5
147.93034	0.9
161.04596	2.0
164.07170	4.8
174.03772	0.9
174.05569	1.9
179.05563	3.2
181.12297	1.2
183.10266	2.2
199.13451	1.1
202.76526	0.9
214.08678	1.0
216.13895	1.5
222.12535	1.0
225.11366	1.3
230.13094	1.6
243.12358	10.1
244.12471	0.9
277.15652	1.1
285.13351	1.2
345.19092	1.2
388.18811	2.2
392.17273	0.8
405.16342	1.7
405.21378	25.4
406.20352	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	405.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.4
57.05424	0.7
59.01391	9.6
61.98830	4.3
66.03490	0.9
69.03342	1.5
69.03741	7.9
71.01362	2.5
74.02463	1.2
82.06622	1.9
85.02932	1.4
85.06590	1.4
89.02435	1.3
97.06568	1.9
99.04515	1.6
101.02421	2.0
113.02450	1.2
114.09245	5.2
114.53607	0.8
125.02448	1.2
126.09235	1.9
128.10851	1.2
129.10371	0.7
130.08748	74.4
131.09045	3.1
154.08652	1.0
164.07117	1.6
166.14612	0.8
166.15990	1.0
180.08817	0.7
182.15466	1.4
184.15506	1.5
184.17061	23.5
185.17332	0.9
197.16605	1.7
199.18129	6.0
211.18129	3.7
223.18216	1.1
228.16054	6.3
241.15501	2.1
241.19157	1.4
243.17159	20.5
244.17393	1.0
244.24611	0.8
255.17192	1.6
285.18213	100.0
286.18567	9.9
297.18103	1.6
315.15811	1.5
315.19260	21.1
316.19373	1.7
405.22278	33.8
406.22382	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	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.1
58.46658	0.6
59.01385	9.2
66.03479	1.5
69.12378	5.5
70.02979	0.8
71.01389	2.3
73.02937	1.0
79.30414	0.6
80.05058	0.6
82.06633	4.5
84.08172	0.9
85.02955	1.1
85.06612	2.4
87.00896	1.6
89.02451	1.5
90.35360	0.7
97.06612	1.8
99.04537	4.6
99.08215	0.7
101.02451	2.2
112.11362	0.6
114.09280	5.9
125.02478	0.9
126.09279	1.6
128.10851	0.8
129.10400	1.2
130.08759	100.0
131.09100	3.5
135.04608	1.1
140.10863	1.4
142.08784	1.1
154.08751	0.9
179.03596	0.6
182.15495	1.9
184.09723	0.7
184.17079	19.6
185.17406	0.9
195.14963	1.0
197.16707	3.2
199.18175	4.7
211.18175	4.5
223.18210	1.4
226.14531	0.6
228.16060	10.6
241.15527	3.6
241.19270	1.6
243.17142	22.2
244.17493	1.4
253.15395	0.7
255.17151	1.9
282.76547	0.7
285.18219	99.4
286.18570	8.4
297.18121	2.3
315.19260	18.8
316.19467	1.4
325.20273	0.7
334.17462	0.7
345.19894	0.7
354.47144	0.8
405.17014	1.5
405.22379	26.9
406.22559	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	405.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50603	25.9
55.13613	29.3
58.80853	29.6
61.98837	80.7
63.81105	30.1
69.79349	47.9
69.79759	100.0
75.49892	31.7
86.31850	26.1
92.12885	27.8
98.22562	35.3
127.63330	28.9
138.30598	31.1
270.87183	27.5
364.08755	35.2
392.56360	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18394	5.0
61.98820	5.8
72.00914	14.0
89.28017	6.4
93.97731	6.0
98.02474	7.8
98.21712	11.8
103.92056	5.1
108.72494	4.6
108.95191	4.8
130.08763	18.9
147.03520	5.4
147.04523	34.1
164.07156	100.0
165.07462	8.9
244.13051	10.1
316.15198	12.6
395.37369	5.3
406.07498	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10651	1.6
55.70281	1.6
58.02983	15.5
59.01365	2.0
66.03484	3.3
70.02949	1.6
70.82165	3.9
71.01373	2.6
72.00912	2.5
74.02479	24.5
82.02978	6.0
84.04564	2.2
86.02502	10.6
87.02701	2.3
87.05630	5.6
96.04585	1.7
97.04090	2.7
99.05650	27.1
101.07186	5.5
102.05609	6.2
109.04060	5.0
111.05659	3.2
112.04102	3.3
123.05650	2.1
125.03539	5.0
127.05116	4.2
128.03554	74.6
129.03897	3.3
133.06943	17.9
135.05647	11.3
141.06680	4.3
143.04634	100.0
144.05006	2.3
145.06184	2.4
146.04584	10.7
153.06718	8.0
166.09869	5.6
167.04616	3.0
167.08235	6.8
170.03397	3.0
171.04124	2.3
179.04622	26.2
184.10895	1.7
185.05661	2.8
192.07787	4.3
197.05637	5.3
210.08841	23.0
211.09091	2.0
212.47235	1.6
254.07826	49.9
255.08200	4.2
261.72491	1.6
272.08884	54.5
273.09305	1.9
277.12241	6.8
282.29352	1.5
306.26151	1.6
388.15552	10.1
389.15567	2.0
406.16495	66.5
407.16846	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	406.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31996	2.5
58.02982	15.4
70.82027	4.7
72.00924	2.7
74.02471	34.4
82.02980	3.8
84.04515	2.4
86.02482	10.5
86.06142	3.9
87.05636	7.0
97.04054	2.5
99.05640	28.9
101.07208	4.1
102.05592	5.7
109.04106	5.3
111.05652	2.8
112.04004	3.2
119.61135	2.5
125.03564	5.0
127.05156	6.6
128.03555	83.1
133.06960	22.1
135.05678	7.4
141.06729	4.2
143.04634	100.0
143.05756	5.2
145.06177	3.9
146.04599	10.9
153.06651	6.7
166.09901	3.1
167.04628	4.4
167.08293	6.5
171.04117	3.2
179.04628	28.2
197.05661	5.4
210.08847	27.9
211.09103	2.4
224.26080	2.5
228.09889	2.6
254.07822	48.7
255.08357	3.4
272.08902	63.1
273.09204	4.6
277.12238	6.9
388.15363	10.3
406.16504	66.9
406.21826	2.3
407.16678	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	406.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
61.98840	2.1
69.19199	1.4
69.19506	13.4
71.01360	6.7
72.00893	4.6
73.04066	3.3
82.02984	4.7
82.06620	2.4
84.04539	2.8
84.08157	1.4
89.02454	1.6
91.05527	5.9
98.02499	1.9
100.04057	4.3
101.07222	19.3
107.02540	1.5
109.04073	5.6
114.50848	1.6
118.06641	13.3
119.03458	1.9
123.03260	3.6
126.09172	2.1
127.04268	2.2
127.05161	31.4
128.03539	5.0
129.10364	7.4
130.08762	53.7
131.05037	2.5
136.11232	1.4
139.11295	1.9
140.07191	7.5
140.11641	1.7
141.10291	2.4
143.11903	1.9
145.06200	13.4
146.04584	3.7
147.04541	19.5
164.07190	63.0
165.05435	2.1
165.07489	2.8
169.09772	1.9
170.09734	3.0
171.10252	5.7
174.05598	4.8
179.11900	4.2
180.10332	24.2
183.10216	2.6
184.10558	2.4
186.12457	2.1
197.12956	7.4
199.18144	2.9
200.13802	1.6
213.10182	2.1
214.08788	22.4
214.15511	7.5
216.13852	4.4
222.12494	22.7
223.10880	9.3
223.12712	1.9
224.09244	4.3
231.11363	5.7
233.16599	3.2
240.13481	5.5
241.11902	6.6
243.12460	7.6
244.12758	14.1
256.20200	2.3
257.09344	13.7
260.12927	2.2
275.10519	7.5
275.13565	1.7
277.15567	7.9
293.60645	1.8
319.88330	1.7
343.32178	1.7
344.19736	8.4
388.14029	2.6
388.18851	56.5
389.19254	8.5
406.19730	100.0
407.20096	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.199
Annotation	Ile Phe Glu
Peak:m/z	Relative Intensity
59.01142	0.8
59.01388	9.0
69.32263	7.2
71.01379	3.6
71.02514	1.0
73.04062	1.7
74.02481	3.6
77.73166	1.0
78.91895	1.7
80.91688	5.3
82.02962	0.9
84.04552	8.8
85.02954	1.9
89.02455	2.7
96.00952	1.5
97.83537	0.9
98.02570	1.1
101.02467	2.0
102.05621	35.2
102.98717	1.0
117.00445	1.3
117.03469	6.0
119.05017	2.9
127.98032	0.9
128.03558	100.0
129.03932	1.4
129.10355	38.5
130.08752	10.4
131.05013	1.2
139.08789	11.8
143.04640	2.0
143.11827	1.1
145.01875	1.9
145.02966	26.0
146.04604	22.2
146.06116	5.1
147.04570	4.8
163.04031	2.9
164.07219	2.2
172.07745	2.5
187.03928	1.1
188.10841	6.6
214.08704	2.2
232.09763	5.9
233.16377	1.2
243.03693	1.7
245.03032	0.9
249.12537	1.7
257.09341	12.6
259.14520	14.3
260.14716	1.3
277.15598	32.7
278.15820	3.4
325.09280	5.2
362.20883	9.6
363.21048	1.9
406.19894	55.3
407.19977	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	406.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01142	0.8
59.01388	9.0
69.32263	7.2
71.01379	3.6
71.02514	1.0
73.04062	1.7
74.02481	3.6
77.73166	1.0
78.91895	1.7
80.91688	5.3
82.02962	0.9
84.04552	8.8
85.02954	1.9
89.02455	2.7
96.00952	1.5
97.83537	0.9
98.02570	1.1
101.02467	2.0
102.05621	35.2
102.98717	1.0
117.00445	1.3
117.03469	6.0
119.05017	2.9
127.98032	0.9
128.03558	100.0
129.03932	1.4
129.10355	38.5
130.08752	10.4
131.05013	1.2
139.08789	11.8
143.04640	2.0
143.11827	1.1
145.01875	1.9
145.02966	26.0
146.04604	22.2
146.06116	5.1
147.04570	4.8
163.04031	2.9
164.07219	2.2
172.07745	2.5
187.03928	1.1
188.10841	6.6
214.08704	2.2
232.09763	5.9
233.16377	1.2
243.03693	1.7
245.03032	0.9
249.12537	1.7
257.09341	12.6
259.14520	14.3
260.14716	1.3
277.15598	32.7
278.15820	3.4
325.09280	5.2
362.20883	9.6
363.21048	1.9
406.19894	55.3
407.19977	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42848	1.3
53.53665	1.1
57.03449	1.2
69.91510	4.9
72.53698	1.0
87.04563	1.3
93.69071	1.0
96.95995	1.3
117.03436	5.9
123.98112	1.1
153.00847	1.0
153.91658	1.1
154.04247	3.8
155.56396	1.0
161.02470	1.7
165.01950	1.1
178.99846	3.3
198.03166	3.4
226.02739	9.7
228.68555	1.1
235.99817	1.0
237.35675	1.1
254.02264	5.6
258.01752	5.2
269.04581	13.7
270.04938	1.4
297.00504	1.8
297.04047	93.9
298.04309	10.8
312.06396	10.8
327.08743	100.0
328.09152	9.8
407.04376	13.2
408.04510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04544	2.0
57.03452	100.0
59.01384	76.3
69.06757	18.1
69.07159	3.3
71.01386	29.2
73.02959	22.3
73.04071	7.8
74.02483	5.8
78.53276	2.0
79.05507	3.1
80.66962	2.1
81.03445	2.1
83.01387	7.3
85.02963	6.6
87.00866	4.0
89.02453	14.3
95.01347	2.3
95.05068	2.8
97.06623	3.4
99.04526	63.5
101.02448	43.5
102.46239	2.3
103.46525	2.3
113.02465	18.8
113.06100	5.5
115.00385	3.2
119.03499	6.8
119.05045	9.5
123.04549	25.9
125.02464	30.4
129.10307	2.9
131.03494	2.3
141.05615	3.2
143.03487	6.8
145.02965	5.4
151.04114	2.3
151.21732	2.1
153.05598	3.9
155.11540	2.2
158.32210	2.2
161.04544	17.2
169.09789	2.1
175.02499	6.9
179.05606	6.9
180.06659	3.1
200.14041	3.6
203.21307	2.2
206.60204	2.3
208.62325	1.9
258.11404	4.3
263.07794	4.0
323.09937	2.3
373.59033	2.8
407.19446	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	407.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40816	43.6
57.03460	48.6
59.01369	67.9
75.76509	53.0
96.96033	100.0
97.98748	54.6
407.17014	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47882	57.9
62.17953	46.8
62.68123	42.8
65.30428	43.8
70.94924	100.0
73.20647	46.4
80.96517	69.6
85.05890	41.8
89.99985	44.6
96.95987	55.7
118.95441	55.4
145.72037	60.2
290.17603	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52753	12.4
59.01389	15.3
60.13807	13.2
69.32889	100.0
98.15550	13.9
98.21800	27.3
128.42523	11.6
161.02422	17.8
171.10301	15.5
174.30528	14.3
278.40421	14.2
312.23248	12.5
312.37790	15.2
343.17941	15.2
365.54346	15.0
371.87726	14.7
407.17551	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97122	0.8
55.01873	1.8
57.03451	100.0
58.03796	1.5
59.01381	65.9
60.01721	0.8
62.42046	0.6
63.16798	0.7
66.92175	0.6
69.04816	2.5
69.05233	4.5
71.01387	10.2
73.02946	5.8
81.03468	1.0
83.01392	4.4
85.02961	8.2
92.92935	0.7
95.01447	1.2
98.21763	1.2
99.00917	1.8
99.04526	67.5
100.04864	1.0
101.02448	31.0
110.17123	0.8
113.02458	6.0
116.51881	0.7
123.32524	0.6
125.02448	17.6
125.03310	1.0
139.44582	0.8
143.03505	1.4
159.03111	1.1
161.04591	3.4
170.73627	0.7
185.89413	0.7
263.14996	26.7
264.15475	1.2
407.19278	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98261	1.7
54.70514	1.6
55.53047	1.5
57.03449	100.0
58.03772	2.3
59.01382	77.3
61.68613	1.8
61.98829	1.6
66.96755	1.7
71.01388	14.7
73.02940	5.2
83.01380	4.8
85.02946	8.6
87.04485	2.8
87.29575	1.8
93.79299	1.6
96.96029	2.8
99.04524	81.9
101.02453	36.1
113.02449	6.8
113.03522	3.5
125.02457	24.3
143.03413	2.9
153.50250	1.8
159.03004	3.5
161.04585	3.5
228.87106	1.9
263.15012	30.2
264.15192	2.2
305.16183	2.7
378.83905	1.8
407.18240	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.39233	0.9
70.61362	2.4
78.95908	71.8
96.96988	5.3
128.98035	0.9
150.97989	1.3
152.99594	100.0
153.99980	1.6
171.00633	2.7
253.21658	1.5
407.22006	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	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.08409	0.7
53.94939	0.6
69.40587	5.0
78.17981	0.7
78.95910	100.0
85.00455	0.8
96.96027	0.9
96.96976	8.8
107.91576	0.6
150.98021	1.4
152.99599	77.9
153.99922	1.6
171.00652	57.0
183.01323	0.9
205.96295	0.8
290.54834	0.7
326.18811	0.9
434.52155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1776
Annotation	Leu-Asp-Tyr
Peak:m/z	Relative Intensity
57.03434	1.9
59.01374	5.0
66.84856	1.4
68.39841	1.5
69.41076	7.9
69.41485	2.4
71.01387	3.2
72.99311	1.6
77.31183	1.6
79.99759	1.3
81.02194	2.8
82.02983	4.0
83.02522	4.6
84.00932	6.2
93.03484	3.9
96.00920	27.4
98.02486	16.4
98.22511	2.0
107.05021	2.3
110.02498	11.1
112.04079	2.7
113.03584	16.5
113.06138	1.6
119.05022	11.1
125.03636	1.9
128.03549	1.6
130.08757	46.9
137.96236	1.5
138.09273	16.6
142.88251	1.6
145.02959	3.8
147.04466	3.4
148.02747	2.1
155.08209	1.5
156.06697	3.7
166.08736	1.9
169.09856	4.1
179.11914	6.4
181.09904	2.0
184.56784	1.6
195.63988	1.5
205.09897	9.5
216.06627	8.5
223.10945	10.1
230.11867	4.2
232.13458	6.4
233.09297	2.8
259.07294	1.8
267.09891	9.7
275.14029	5.5
276.12442	5.3
277.08255	1.9
278.08923	1.8
293.15161	5.0
314.08502	2.6
373.14066	100.0
374.14450	11.9
390.16714	34.5
391.16901	4.2
408.07205	2.0
408.12332	1.5
408.18188	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	408.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01382	6.1
70.02986	1.8
71.01392	4.1
71.32426	1.3
72.00917	3.8
73.02938	2.0
74.02475	3.3
80.91677	2.3
81.02211	2.6
82.02982	3.2
82.06596	1.1
82.95428	4.4
83.01382	1.4
85.02967	2.0
87.05685	1.2
89.02466	1.8
91.21274	0.9
93.03471	3.6
96.00916	8.3
98.02502	12.8
99.04547	3.8
99.92597	1.8
101.02467	3.3
109.01688	2.3
111.02074	1.2
113.02451	1.9
113.02794	1.0
113.03587	13.5
114.01972	1.0
117.03500	2.2
118.03867	1.1
119.05037	79.6
120.05363	4.4
125.02476	1.4
128.03552	2.5
129.10332	8.7
130.08817	1.2
131.04723	1.0
134.06180	3.9
136.07747	1.2
136.78836	0.9
139.08797	1.8
140.07178	3.5
145.02975	8.1
145.06383	0.9
146.03300	7.2
148.02921	0.9
155.08322	1.4
160.03998	1.2
161.06264	0.9
163.04022	12.4
165.10342	7.7
166.07381	1.9
166.08755	25.2
166.10132	1.8
167.08189	1.2
169.09840	1.4
170.70448	0.9
178.74812	0.9
179.11911	2.3
180.06680	34.6
181.06995	1.8
183.11374	2.6
188.07216	2.4
205.09869	1.7
209.09262	1.6
214.97803	1.1
223.11005	2.3
249.16144	1.4
265.13007	2.1
275.14081	2.3
283.14667	1.2
293.15216	5.0
311.14059	1.8
326.09729	1.3
329.15149	3.7
373.14063	100.0
374.14413	10.8
390.16708	37.2
390.76190	0.9
391.16165	3.7
407.01630	0.9
408.17505	9.8
409.21155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64167	2.4
69.01960	26.8
69.02308	2.8
87.00885	100.0
96.07520	2.5
96.96941	3.2
102.94408	9.6
111.00894	7.5
142.97569	12.9
166.97516	8.1
191.02078	5.5
193.67609	2.5
222.38457	2.4
228.97560	63.5
320.07333	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	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03454	88.2
58.03793	1.9
59.01386	100.0
62.60566	1.3
70.19794	5.3
71.01024	2.8
71.01389	30.8
73.02960	9.1
83.01409	3.0
85.02971	10.1
87.00891	2.9
89.02459	8.9
99.00906	4.3
99.04536	75.1
100.04852	2.8
101.02457	40.2
113.02452	9.8
115.03069	1.2
119.03501	1.8
119.05025	1.8
120.67470	1.3
120.91252	1.5
121.18652	1.6
125.02472	28.3
134.04733	3.0
135.62273	1.3
143.03543	3.2
159.02991	1.9
159.04549	2.9
160.04539	2.1
161.04601	13.2
185.06015	1.9
188.04770	1.7
201.05511	3.3
203.07097	8.4
204.03517	3.3
205.03136	6.0
229.05141	8.4
247.06111	1.9
265.12946	33.6
307.14102	9.2
344.19879	1.6
409.11514	2.6
409.17151	10.4
410.10284	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
57.03447	4.9
59.01382	32.4
61.98842	1.9
66.46006	1.4
69.03480	1.8
70.64668	2.4
70.64966	2.0
71.01385	60.9
72.99312	3.7
73.02947	30.0
75.00875	3.8
80.65714	1.6
83.01402	12.3
85.02959	34.8
86.00104	1.7
87.00893	4.4
89.02448	13.0
89.41384	1.8
91.38124	1.5
95.01402	3.7
96.96019	3.7
97.02975	3.0
99.00878	13.9
101.02449	62.8
110.18866	1.6
111.00877	2.8
113.02463	26.8
125.02462	4.0
129.01939	2.0
131.03540	3.1
143.03535	2.5
151.80353	1.7
159.03047	3.0
161.04568	22.9
228.27040	1.7
233.06688	3.9
277.16577	100.0
278.16968	6.3
291.16119	2.1
409.20819	76.9
410.21213	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	409.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02710	0.4
70.57207	1.1
78.95907	74.5
94.64726	0.4
96.96969	5.1
145.60880	0.4
150.98045	1.6
152.63214	0.5
152.99596	100.0
153.99947	1.4
171.00684	2.8
192.85518	0.5
255.23280	2.8
409.23602	10.9
410.24088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2365
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
70.54506	0.3
70.54833	0.6
78.95912	64.3
81.12494	0.2
82.08478	0.3
96.96976	5.1
150.98062	1.7
152.99602	100.0
153.99940	1.4
171.00627	2.5
237.08498	0.3
255.23268	2.3
256.23672	0.3
409.23645	11.5
410.23892	1.4
421.00421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29112	2.0
59.01367	7.4
61.98840	1.6
65.85226	2.0
69.05090	18.6
69.33206	1.4
70.64635	1.5
71.01358	1.4
71.02519	2.2
72.00890	5.1
72.99317	1.6
91.05524	2.9
96.96003	5.2
99.92598	12.5
104.44893	1.6
115.08781	72.9
116.07178	3.1
116.09123	1.7
118.06635	15.6
125.07225	8.7
127.05103	2.2
128.76509	1.5
130.08786	2.3
146.06114	13.9
147.04547	25.2
164.07166	69.5
165.07521	3.9
194.48534	1.5
197.46375	1.4
245.12984	15.4
250.12370	41.6
251.12756	2.8
278.98166	2.0
294.11609	1.9
340.98456	3.0
366.21625	3.3
383.22949	2.2
410.20868	100.0
411.21201	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	411.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46373	2.7
57.05365	3.1
59.01403	4.2
70.04051	9.7
71.01382	5.4
71.05029	4.5
78.95912	37.2
81.03482	4.9
87.00920	4.2
93.97087	3.0
96.96036	16.8
96.96973	55.1
97.02969	13.7
99.04559	10.3
103.49055	2.9
110.48332	2.9
115.04015	10.1
118.05138	7.4
123.04557	6.6
125.02464	100.0
143.03561	4.0
152.03563	39.4
187.02536	27.4
194.04657	4.9
214.03622	4.0
259.18643	3.0
279.44073	3.1
314.02542	3.1
314.08801	5.7
327.78940	3.7
383.83304	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	411.1273
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.44919	0.7
59.01381	1.8
60.17379	0.6
71.01389	4.1
71.32076	0.7
72.00517	1.5
72.00914	29.5
73.02950	1.1
74.02477	18.9
85.02959	1.0
88.74279	0.7
89.02467	1.7
94.76711	0.7
100.00418	14.3
100.04100	1.6
101.02440	2.5
113.02457	1.4
114.05596	5.4
118.05116	100.0
119.05450	2.2
123.04553	0.9
130.08752	1.1
135.04546	2.2
140.52356	0.7
144.03030	16.3
160.02632	5.5
161.04671	0.9
169.09869	1.1
186.12524	0.9
186.41859	0.8
252.13625	1.1
279.14523	3.2
367.20105	2.1
411.18671	2.3
412.22144	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	411.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
66.09869	1.1
69.27052	8.7
72.00912	23.2
113.91122	1.0
129.99971	1.7
138.99997	4.3
147.04529	63.2
148.04826	2.8
164.07173	93.1
165.07504	4.6
172.01022	7.7
185.00546	19.3
186.00687	2.8
230.00137	1.4
247.02800	2.1
259.62564	1.3
277.06882	6.0
411.14139	100.0
412.14374	20.2
419.21985	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	411.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73148	3.7
56.00823	3.9
57.03428	6.5
59.01386	43.5
61.98819	4.0
70.70241	13.5
71.01392	34.2
72.99316	6.0
75.00872	4.4
83.05059	6.2
85.02965	15.0
89.02443	26.1
95.05041	6.6
96.96026	9.1
101.02432	16.2
113.02462	18.1
119.03526	9.2
128.03494	5.5
128.16982	3.8
157.06773	6.4
159.08141	7.5
161.13376	100.0
162.13756	7.9
185.09744	4.2
185.13362	8.0
186.79970	4.2
187.11307	54.6
189.35037	4.6
205.12312	80.9
206.12682	7.3
207.30334	3.8
229.12309	16.8
249.11302	61.8
250.11769	4.9
266.10049	4.0
384.21869	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41596	3.2
51.02083	3.4
59.01369	14.2
69.27618	18.6
69.28044	13.1
71.01363	5.0
75.18927	3.7
82.16183	3.7
85.57364	3.8
88.93182	3.4
91.45596	3.5
98.21754	4.6
105.10996	3.6
130.05626	3.6
177.80028	3.4
183.13849	4.3
186.20039	3.7
195.13866	6.5
197.02219	6.1
205.12427	6.4
213.14964	100.0
213.17004	6.0
214.15402	9.5
384.21286	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	411.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	8.5
57.03461	5.5
57.46716	1.2
59.01386	36.5
69.03471	2.7
69.27913	4.3
69.28335	4.9
71.01391	79.1
72.66546	0.9
72.99300	3.6
73.02958	38.0
75.00878	1.7
82.95626	1.0
83.01392	17.4
85.02960	39.8
86.00100	2.4
86.03296	1.5
87.00887	3.9
88.04051	1.8
88.96544	1.0
89.02460	16.6
90.05577	0.9
95.01405	4.8
97.02959	5.2
98.22610	1.2
99.00895	16.3
99.04542	1.1
99.20083	1.1
101.02460	68.1
102.02798	1.3
109.07919	1.0
109.08678	1.1
111.00897	1.8
113.01727	2.1
113.02468	30.1
113.03253	1.6
115.04053	3.1
115.05968	1.1
125.02502	5.9
126.09546	1.1
131.03545	3.6
143.03493	3.5
149.04572	2.7
159.03018	7.2
161.04587	36.3
168.44484	1.1
191.05716	1.6
211.95470	1.1
233.06641	4.8
249.13335	1.6
279.14520	100.0
280.14819	8.4
282.36429	1.1
293.08939	1.8
394.19797	1.3
411.18756	73.8
412.19043	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	411.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97846	0.2
59.01378	1.9
61.98825	0.7
70.31304	0.7
71.01386	1.3
79.95749	2.2
85.02959	0.3
89.02424	0.7
92.05125	0.3
96.96018	100.0
97.95930	0.4
101.02441	0.8
109.08801	0.2
113.02480	0.5
119.03479	0.4
127.05160	0.3
130.08656	0.5
131.35315	0.3
150.29573	0.3
153.43311	0.3
181.94139	0.3
249.11217	0.4
263.70242	0.3
297.73776	0.3
311.11707	0.2
356.22214	0.3
411.20667	39.6
412.15897	0.4
412.21002	4.4
437.83182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.3
69.39399	8.1
69.39814	16.0
99.08158	4.9
99.92587	13.9
103.77191	3.2
107.04987	3.7
115.92064	9.0
116.33524	3.1
125.59858	3.8
139.11301	4.8
163.11478	4.7
165.12828	12.3
171.10286	6.9
180.30511	3.3
183.13834	4.5
193.08444	17.6
211.13446	18.8
221.11563	8.8
229.14438	13.8
231.10048	7.7
233.11595	100.0
234.11830	4.4
249.11060	11.4
251.11443	20.9
251.12614	23.9
289.41296	4.1
294.05673	6.9
329.23303	48.6
329.44736	3.3
351.21542	59.5
352.21713	3.9
411.22177	3.4
431.69437	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	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
70.55126	47.1
96.30269	13.2
100.39352	16.4
110.56357	12.3
116.91315	18.4
117.91743	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92032	7.7
68.24659	8.6
69.28805	32.9
69.29235	36.1
71.01382	14.3
84.02155	19.6
105.84062	9.8
111.30257	7.9
117.32265	9.0
136.97054	8.7
147.05449	9.9
170.33037	7.8
207.06496	10.1
207.13936	100.0
210.94920	10.5
277.77863	9.8
315.07315	9.1
333.49231	10.5
369.19131	57.9
403.89664	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	412.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98211	4.7
51.11460	4.4
53.10509	5.2
57.03463	4.9
57.57268	4.4
59.01372	30.9
61.98840	5.8
64.27580	5.6
69.36128	16.7
69.36563	17.9
71.01381	10.9
73.04076	11.3
82.43912	5.3
89.02444	14.2
96.96001	21.5
99.04520	8.0
101.02466	10.8
107.05029	21.9
119.03490	8.0
129.10367	11.2
130.08759	46.8
133.02982	42.8
135.04544	60.6
140.85048	5.8
161.02463	100.0
177.01910	10.8
179.03531	28.6
186.12434	8.7
199.18173	8.9
221.04469	8.8
236.90929	5.5
281.06873	5.4
300.38235	5.6
323.07709	14.4
325.23550	4.9
341.08994	6.7
402.16769	5.7
412.20917	7.7
413.22714	7.2
413.27722	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42026	2.2
56.68044	2.1
57.03442	3.2
59.01380	15.3
69.31764	18.8
71.01381	8.1
73.04074	11.5
85.02994	3.2
87.05605	3.0
96.96017	100.0
97.95968	4.6
98.95599	9.9
113.02454	3.9
129.10364	4.4
130.08748	51.1
133.02914	13.6
133.48608	2.3
135.04517	17.0
161.02461	37.6
171.39351	2.4
179.03490	11.3
186.12523	4.1
199.18207	10.7
207.14217	3.1
208.13542	3.1
240.17308	3.0
243.17099	2.6
251.05655	8.4
278.93546	2.5
312.26590	6.1
323.07727	7.6
369.19647	2.4
390.81952	2.3
412.21182	37.9
413.22394	7.4
413.27774	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31167	6.7
54.20477	5.6
56.80009	6.8
57.03482	7.8
59.01382	100.0
60.01701	7.6
61.98835	6.3
66.84251	6.3
67.66513	5.8
71.01372	19.3
71.33351	6.9
71.33796	10.3
71.36108	5.7
71.68065	6.2
73.02946	9.0
81.50038	5.4
85.02955	7.2
86.90957	7.3
96.96054	11.3
98.24390	6.0
101.02438	8.5
113.02477	9.7
129.06676	7.8
130.08723	22.9
133.02994	23.4
135.04504	14.6
161.02469	55.4
184.49182	6.1
261.06839	6.2
413.18292	7.9
413.23883	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	64.5
61.98823	27.3
69.02901	100.0
69.03320	95.7
71.01368	39.3
73.04063	61.5
74.02473	18.1
74.98820	17.4
76.25663	17.9
87.99279	17.3
89.02456	49.9
98.12222	16.0
107.64421	17.0
113.08127	18.9
119.25742	18.0
130.08694	28.5
142.58734	18.2
146.06134	25.8
147.04546	29.0
161.04384	18.5
164.07126	85.0
168.15063	17.6
176.44481	17.5
184.93457	18.1
202.54694	17.8
229.88785	21.4
250.12291	50.6
309.38602	16.8
368.15933	30.0
374.25800	21.1
412.18756	84.0
413.27536	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
59.01385	21.7
69.09142	12.4
71.01375	3.1
74.02498	2.7
78.88931	1.2
96.96005	3.1
100.77197	1.2
110.26543	1.4
125.06028	1.3
129.10347	2.4
133.03000	2.0
135.04555	7.8
140.42909	1.3
145.02974	5.0
160.01645	1.9
161.02434	4.2
163.11168	1.5
165.12779	1.2
171.11343	1.6
175.04012	2.5
177.01942	2.2
179.03479	2.8
207.13916	100.0
208.14227	7.6
351.18207	3.1
376.18848	8.2
412.20877	2.2
412.27408	1.7
413.21710	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	412.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70326	16.9
52.49416	17.7
57.36074	20.7
59.01369	61.9
61.98849	38.2
71.01390	27.4
71.32835	25.9
73.04083	96.7
75.01372	19.1
83.05027	19.4
89.02464	54.9
99.04533	32.3
99.33942	20.9
101.02494	21.6
118.06586	23.2
129.10356	22.4
130.08749	75.2
135.04543	37.0
146.06184	34.3
147.04602	24.1
161.02542	38.1
164.07201	90.3
250.12355	78.7
368.16019	59.3
386.25174	29.5
412.18683	100.0
413.22000	77.4
413.27432	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15672	3.0
60.26383	3.1
60.32572	3.6
61.98843	5.6
62.76791	2.9
63.03601	3.0
65.37492	3.6
70.32062	7.1
70.32426	6.6
89.16855	2.9
91.34118	3.4
109.31731	3.4
120.01262	100.0
121.01640	3.8
165.77617	3.3
190.48093	3.2
247.44478	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	412.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
69.27856	3.5
71.01383	1.6
73.02932	0.6
85.02972	0.7
89.02468	1.2
101.02438	1.1
110.02514	1.1
113.02460	0.5
117.19307	0.5
125.02497	0.7
130.08760	100.0
131.09071	3.6
152.03491	0.6
152.84297	0.4
161.04605	0.6
165.21590	0.5
234.07277	0.6
243.06285	0.8
281.09988	0.7
281.12524	3.2
314.30923	0.5
385.77811	0.5
412.19757	1.9
413.16562	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	412.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55898	32.6
61.98820	86.6
62.14454	26.5
62.90928	30.6
70.79168	35.5
70.79512	63.2
70.84178	32.9
71.88931	30.1
74.26139	30.4
96.96004	72.2
99.92574	68.6
102.22503	31.2
116.92956	31.2
117.82298	27.6
118.89964	100.0
127.42336	38.6
129.48422	29.0
180.03098	28.4
203.02348	35.3
241.31635	35.2
346.24606	34.9
361.00558	30.3
376.13293	31.6
396.02240	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	35.7
69.34257	100.0
93.14629	10.5
94.64086	13.8
98.59299	12.3
104.95882	12.1
128.31215	13.2
129.84727	13.0
141.34721	11.3
153.92212	13.4
171.72569	12.2
356.49020	13.0
398.45566	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	413.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14853	1.2
59.01385	1.6
63.52184	1.6
67.01887	1.3
69.03451	3.5
69.36427	4.6
69.36862	5.7
71.01386	1.9
72.81344	1.3
73.02926	1.3
89.02467	1.6
90.97153	13.3
97.02255	1.3
97.02959	1.9
99.04542	5.6
105.95826	1.7
118.96655	2.4
120.94467	1.3
122.97681	2.2
125.02467	6.2
125.85431	1.2
140.98743	6.4
143.00262	5.4
143.03502	5.1
149.04553	1.4
150.97096	1.6
153.46332	1.4
155.00357	1.9
156.98280	1.7
158.99796	2.1
168.98215	2.9
170.99762	10.1
173.01335	44.9
180.90735	1.5
182.99869	1.3
186.99330	2.5
196.97757	5.0
198.99269	100.0
199.99629	4.4
200.97195	4.8
224.97192	51.5
225.97595	2.1
234.49251	1.4
235.02895	7.6
237.04448	9.4
242.98277	7.7
251.02412	4.5
253.03992	9.8
255.05537	13.0
263.02319	5.1
269.03439	3.0
279.01859	2.2
281.03342	8.6
307.01385	24.4
308.01538	2.0
325.02417	41.8
325.06149	2.5
326.02802	2.7
356.71136	1.6
369.01468	22.3
397.39951	1.5
413.00238	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	413.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97860	2.0
51.06234	2.1
69.45441	14.0
71.37594	1.9
99.04531	72.6
99.05198	3.9
105.21608	2.0
105.85045	2.5
108.97643	2.5
135.95724	1.9
143.03516	100.0
144.03853	3.3
170.99754	3.4
173.01283	15.3
180.99023	4.9
187.02496	60.3
188.02879	2.5
198.99263	34.9
224.97153	15.2
237.04434	4.1
242.98219	10.1
243.00375	2.4
253.03998	3.2
254.61797	2.0
255.05481	2.3
307.01331	9.4
325.02542	13.4
340.48331	2.2
369.01416	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	413.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52908	3.1
55.00166	3.3
59.01386	21.3
69.03449	4.5
69.26292	33.0
70.99570	4.1
71.01384	11.4
75.24760	3.9
84.52128	4.1
85.02972	5.9
86.99107	5.5
89.02423	3.8
91.05550	4.6
93.03455	3.2
96.95993	3.7
105.07082	3.6
106.04267	22.1
107.05014	10.3
119.05014	9.7
121.02952	7.1
123.04528	3.8
133.10214	7.3
134.03754	86.7
135.04536	6.6
143.05037	5.8
145.06664	4.1
145.10213	7.1
147.04460	5.9
147.11784	7.5
148.05298	8.0
148.08925	5.9
149.06070	3.7
159.04558	6.5
159.11771	17.3
161.06097	4.2
161.13338	4.2
164.23991	3.9
165.03917	3.5
169.10193	4.8
171.11818	28.2
173.09631	5.2
173.13394	5.5
175.11296	26.1
178.06314	8.8
185.09669	4.1
185.13435	4.3
187.11279	44.8
189.12862	100.0
189.99442	6.0
190.13220	5.5
191.00212	3.8
193.05061	4.9
199.11316	7.0
201.09267	6.5
201.12831	10.5
203.07310	4.2
203.09091	7.7
203.10785	61.0
204.11186	4.3
205.12381	3.5
207.08572	3.7
209.10118	3.5
210.05334	8.4
211.11285	4.2
213.09189	8.2
215.10664	17.1
217.12344	45.7
219.10345	8.8
219.13863	8.6
221.10077	14.3
229.12291	9.7
231.10269	70.1
232.10645	4.8
233.10023	9.7
233.12042	5.3
243.10277	9.6
245.08180	5.8
247.07941	10.9
247.13414	14.3
257.08163	16.4
261.11383	9.6
263.13080	21.8
273.11359	13.0
291.12396	40.5
335.11343	22.4
413.08972	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	413.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	10.5
59.01371	72.3
60.04145	11.8
68.99828	18.6
71.01376	51.7
71.10686	18.8
75.00867	67.5
78.42987	11.4
86.99093	11.9
96.99342	15.7
99.00887	86.8
107.05053	45.9
115.00368	70.1
129.97287	36.0
130.98076	49.3
135.02985	16.8
135.04559	13.8
138.01451	11.9
159.03004	20.3
161.02470	13.5
162.03233	18.0
163.03999	26.1
172.13425	11.1
173.09691	23.1
175.04013	15.8
175.11346	63.1
177.00101	13.4
178.00946	48.5
180.99635	100.0
187.11308	50.5
189.99416	68.7
191.00232	65.9
191.07181	20.1
191.10803	23.4
196.01866	19.5
202.62338	11.7
203.10912	16.5
205.12347	25.1
207.08437	24.6
217.12381	14.4
224.05170	17.2
231.10225	83.5
233.11824	32.0
241.01857	55.6
247.08009	60.2
249.11508	14.1
261.11371	57.9
265.09061	52.5
275.09262	41.3
291.12384	92.7
296.53650	14.3
309.08008	22.9
325.11145	46.3
335.11310	51.5
369.10150	21.8
380.65524	11.8
413.22009	17.2
418.00375	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	6.9
59.01387	45.0
65.63701	6.6
69.13299	64.8
71.01384	65.3
73.02954	8.7
77.83917	6.4
89.02448	73.0
97.02994	9.8
98.21793	11.6
99.00890	12.4
101.02473	12.1
119.05043	100.0
125.02420	32.9
149.04541	11.5
150.33330	6.9
153.55370	6.5
198.73616	6.4
233.06671	27.9
293.08755	32.3
311.42911	7.8
413.27408	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03450	100.0
58.03784	1.4
59.01382	82.6
61.98822	0.6
63.18498	0.7
69.15668	1.3
69.16075	6.1
71.01384	18.2
72.83889	0.6
73.02946	6.8
74.02500	1.4
77.54752	0.6
81.03481	1.2
83.01385	4.3
85.02955	10.1
87.00896	1.1
87.05674	1.6
89.02440	1.3
97.03014	1.3
99.00907	2.7
99.04527	73.2
100.04868	1.6
101.02449	29.5
113.02463	9.4
114.05657	2.6
116.07207	1.1
117.59257	0.7
125.02455	24.8
128.03528	0.7
129.10320	1.6
130.08731	4.8
131.75508	0.7
135.04579	1.1
143.03560	1.9
143.12003	0.7
157.13519	0.8
159.03069	1.8
161.02480	1.8
161.04572	8.3
169.09837	1.1
184.41043	0.7
185.99495	0.8
249.87057	0.8
269.07352	1.3
269.10303	26.8
270.10788	1.2
282.77567	0.7
311.11612	1.5
351.14728	1.0
413.14194	1.3
413.22501	2.0
413.27878	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	413.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50906	1.1
51.79773	1.3
57.29313	1.0
58.02974	5.3
58.99599	1.9
59.01360	3.6
61.92486	1.2
61.98832	1.5
70.02960	2.2
71.01368	4.4
72.00893	1.7
72.99315	1.3
73.04068	4.1
74.02477	48.3
75.02814	1.2
82.02979	2.1
85.02989	1.3
86.02482	1.7
87.00883	2.7
87.05634	12.8
88.04049	1.4
89.02436	1.4
96.96031	1.5
97.04069	8.7
98.06139	4.0
99.04571	2.7
99.05644	22.7
100.00428	1.5
101.02459	2.7
108.04598	1.8
110.06117	2.4
111.05663	2.1
112.03982	1.6
113.02389	1.4
113.03580	16.0
114.05598	1.5
116.01784	3.2
116.05058	2.0
120.95047	1.2
123.05698	1.9
125.03571	6.2
125.07170	1.7
127.05106	2.2
128.03564	1.7
129.10345	13.2
130.06598	1.4
130.08745	29.4
131.04657	1.2
132.08521	3.6
133.02972	5.9
135.04543	5.9
138.67767	1.2
139.08797	1.7
141.06715	2.6
143.04608	9.3
143.11899	2.6
150.12830	2.2
153.06700	4.7
159.02328	1.5
161.02451	12.7
164.10814	5.5
168.09016	2.2
170.03328	5.7
177.03326	1.4
179.03397	3.2
182.11861	1.6
186.12459	2.0
199.18140	4.9
203.08286	2.4
210.12480	4.3
234.16211	2.1
235.14717	1.9
243.17140	1.3
249.57512	1.5
251.05641	4.0
252.17297	2.5
254.11488	2.9
255.85460	1.4
256.20322	3.5
259.90155	1.4
264.17209	6.7
269.09601	1.4
298.24026	1.4
308.16168	63.4
309.16489	4.9
342.14929	100.0
343.15161	11.9
368.12860	7.4
369.28723	2.1
386.13950	14.6
387.14209	1.8
405.78882	1.5
413.14801	4.9
413.18817	2.3
413.22586	3.8
413.27655	39.4
414.22672	2.0
414.28049	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	413.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47015	1.5
57.03450	5.3
58.25172	1.5
58.52245	1.3
59.01382	9.6
63.44346	1.4
66.07537	1.3
71.01372	5.5
72.02176	2.0
73.02946	6.4
73.04063	4.2
74.02476	21.5
82.06647	1.7
82.09698	1.8
85.02945	2.7
87.05651	5.0
96.96016	3.0
98.06097	2.2
99.04548	3.8
101.02474	3.0
101.06100	12.1
102.05636	2.0
109.03077	1.4
109.72063	1.4
111.05669	2.2
113.02496	2.4
113.07216	22.5
114.05614	2.5
115.08799	1.7
116.05080	13.6
119.03455	2.6
124.03982	2.1
125.02418	1.6
127.05130	1.9
127.08776	13.4
128.03621	3.2
129.06734	3.1
129.10350	9.5
130.06664	2.8
130.08762	22.8
133.02988	8.7
135.04543	31.0
135.08217	2.2
136.04889	3.0
139.08803	3.3
142.06647	4.7
143.10968	1.5
143.11948	6.0
144.10318	3.8
146.06090	1.8
154.10573	1.4
155.11945	4.6
155.14552	2.0
157.07732	2.2
159.09306	4.5
161.02440	27.8
161.04584	2.0
162.02893	2.8
164.07202	3.7
165.07614	2.6
171.07753	5.4
177.01973	6.4
178.02324	3.3
179.03505	22.3
180.03870	2.2
183.13914	8.1
203.08301	21.2
209.12994	5.3
221.04390	2.4
223.17059	1.9
226.15643	2.5
228.79935	1.9
240.17143	4.0
251.12822	4.5
256.14505	11.6
256.20428	3.2
284.16241	10.2
290.93753	1.8
300.13452	4.1
323.07980	10.8
369.16241	1.6
369.23035	5.7
386.25507	100.0
387.25900	11.0
413.09534	3.8
413.22174	84.4
413.27789	12.2
414.22507	12.1
414.27850	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
70.09612	8.1
87.03029	7.4
98.22585	22.7
99.22380	8.1
137.20775	7.6
207.60612	8.1
232.83716	8.6
300.36200	9.3
356.74457	7.9
421.51813	8.5
434.54562	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32583	32.6
56.98936	35.3
59.01376	100.0
68.17187	27.1
71.33290	55.2
80.80637	30.4
150.54208	28.9
270.02933	32.8
428.97778	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77403	0.3
59.01382	20.2
70.02261	1.5
70.76569	0.3
71.01384	0.5
72.00914	0.5
78.95903	0.4
85.84911	0.3
98.21857	0.5
100.47408	0.3
115.87495	0.4
117.00481	0.9
128.07167	0.7
130.08748	100.0
131.08260	0.9
131.09097	2.8
157.03606	1.2
159.01387	0.6
162.79402	0.4
172.01064	0.6
173.10558	0.5
188.07808	1.4
196.05785	0.9
201.00975	0.6
201.02554	13.6
202.02724	1.3
228.07295	1.6
230.08852	5.8
260.10345	0.4
272.09930	49.1
273.10172	5.3
276.81842	0.5
299.14651	1.4
301.16071	2.1
414.11548	2.3
414.24603	29.1
415.11255	0.5
415.24884	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	414.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45799	9.4
59.01367	18.4
60.60747	10.1
63.89988	10.4
69.19657	100.0
71.01385	19.2
75.02139	15.0
78.04669	9.3
165.80998	10.5
170.45245	11.5
370.65976	10.4
405.14401	14.0
414.14175	15.1
415.18448	15.1
415.23309	15.9
424.71161	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	414.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13632	9.3
59.01371	13.6
61.98834	50.1
69.04373	100.0
69.76206	9.4
71.01380	20.7
87.00864	18.9
98.21744	20.5
134.03740	22.4
165.37566	11.8
177.12857	13.3
189.12921	19.3
191.14462	28.2
205.10701	12.9
205.12378	78.0
215.10878	12.6
217.12296	22.0
219.13940	32.7
223.11470	13.9
233.11769	44.7
249.09483	13.4
249.14983	23.5
263.12622	10.8
265.14404	13.2
266.01694	11.4
293.14023	15.5
335.18945	12.3
337.12994	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36361	11.7
57.03445	76.3
59.01381	100.0
69.07119	60.5
69.07545	74.8
71.01373	44.3
74.02453	17.3
76.70369	13.6
77.92327	12.7
77.92780	13.7
84.12481	11.6
98.21790	23.3
99.04524	34.9
101.02443	18.0
113.02380	17.5
130.08736	18.7
135.04535	20.8
142.13466	13.5
161.02414	18.4
181.08255	13.9
190.34229	14.9
194.04634	12.2
219.05693	13.8
229.86646	14.3
415.23679	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	414.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	74.2
59.01378	100.0
63.78910	30.9
71.01381	36.5
83.05046	37.9
85.02917	48.0
89.02467	41.1
98.21792	62.6
99.04572	39.8
101.02446	50.6
113.02413	42.5
120.64735	27.3
130.08777	90.4
203.08206	36.6
218.77475	29.7
225.99110	31.6
227.66222	31.4
269.15210	34.2
338.95334	29.5
396.52747	39.2
414.28033	89.2
415.23627	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75834	42.8
53.98278	40.3
57.05540	40.4
59.01367	85.4
59.43390	37.8
61.98832	41.7
62.86286	45.7
70.51634	66.9
70.51984	100.0
71.01379	80.2
89.02447	87.5
90.09053	48.0
98.21821	43.0
132.28876	43.8
138.99132	53.7
191.15897	43.0
249.35988	44.8
252.76015	41.9
259.55420	43.6
259.77322	44.3
415.27158	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63900	1.4
54.62191	1.5
56.59748	1.6
57.03418	1.8
57.32392	1.4
58.02979	8.7
59.01383	12.3
65.42419	1.3
67.68197	1.5
69.74879	1.4
71.01395	7.7
71.33694	2.5
73.04073	3.3
82.06639	2.5
83.05031	1.7
84.04554	5.3
85.02962	3.5
89.02448	8.0
97.04066	1.5
97.06597	2.4
101.02451	4.8
102.05619	31.8
103.49767	1.3
110.27453	1.4
112.07704	2.2
113.02470	2.1
115.00311	1.9
119.03490	3.4
125.06081	2.5
125.09781	2.0
128.03555	100.0
129.03979	1.5
129.10339	15.4
130.06265	2.5
130.08760	25.1
131.09079	3.6
133.02943	6.1
135.04492	4.6
140.07193	3.1
143.11890	2.1
144.07816	2.0
146.04608	21.8
146.60271	1.5
154.08791	4.0
155.08212	1.7
161.02463	13.6
162.02811	4.3
164.14583	1.6
171.15097	8.3
172.09834	8.8
175.04146	1.8
179.03468	4.2
197.16676	2.3
199.18221	11.2
204.04289	2.1
205.05127	2.5
208.13411	7.0
209.15474	6.8
215.14009	5.2
223.18263	2.1
224.17737	3.5
225.16087	6.4
235.13358	5.6
237.13043	1.6
241.11958	1.7
241.19243	2.4
242.18793	5.1
253.14354	2.4
279.68390	1.9
284.23383	8.0
285.14944	2.3
285.18213	46.0
286.18463	3.0
309.14853	1.6
362.84244	1.8
370.19446	2.0
370.23495	5.2
371.23306	1.8
414.14218	3.2
414.22455	75.0
414.27985	17.6
415.23660	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	414.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.5
60.56098	0.3
61.44255	0.2
69.20950	2.5
73.97343	0.2
74.99398	0.5
80.62563	0.2
82.06623	0.3
98.22486	0.5
101.54766	0.3
110.45598	0.3
113.61216	0.3
117.00451	0.3
122.18886	0.3
126.95863	0.4
128.07207	0.7
130.08757	100.0
131.08301	0.4
131.09114	3.4
180.06691	0.8
188.07799	1.1
201.02582	4.8
201.13428	0.3
202.02736	0.4
228.07359	0.8
230.08949	2.2
243.08409	0.9
255.07533	0.4
258.08737	0.4
272.09952	19.1
273.10062	2.2
299.14651	2.5
301.16251	4.1
302.16562	0.4
354.19348	0.3
414.11069	1.1
414.24643	58.6
415.24878	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	415.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23404	1.3
55.18400	1.2
59.01356	5.5
60.99284	6.1
66.03472	1.9
68.82510	1.1
69.21228	10.7
70.02956	4.1
71.01392	6.4
73.04060	9.0
73.67908	1.2
74.02479	22.9
81.02184	1.2
82.02954	4.1
84.00861	1.5
87.05646	9.5
88.04034	8.4
88.98808	38.3
89.02434	2.5
95.03785	1.5
96.00916	12.5
96.04516	1.6
97.07509	1.2
98.02470	9.0
98.22487	2.5
99.00847	1.7
101.02448	3.1
101.07204	6.4
109.01677	3.2
109.04077	3.5
110.02462	1.7
113.02325	1.3
113.03533	2.6
113.07198	2.7
114.01970	1.3
114.05614	8.2
115.08784	7.8
116.07184	21.7
121.06564	1.1
122.09707	5.3
122.89426	1.8
123.03194	3.9
124.03975	2.1
124.07636	1.5
125.03497	1.6
125.07198	3.1
126.05559	2.3
127.05140	29.6
127.08736	1.9
128.03555	25.9
129.09462	1.4
129.10355	19.4
130.07813	2.3
130.08751	44.5
131.09045	2.9
133.02968	2.0
135.04472	5.3
138.09163	2.8
139.08702	2.7
140.07111	4.1
140.08168	1.6
141.06619	5.0
141.10301	3.6
143.11845	5.6
145.02908	5.5
145.06181	9.4
148.90944	3.0
149.09650	3.7
151.08743	1.7
152.07133	2.5
153.10268	2.6
155.08247	2.9
155.11868	1.6
158.09302	1.8
161.02466	13.6
163.11249	2.2
164.04761	1.9
165.10320	2.8
166.06358	1.6
166.08745	44.3
168.09035	2.5
169.09752	5.1
173.09265	5.8
179.03464	2.8
179.07072	5.7
179.11871	2.5
180.10213	5.4
183.11473	6.6
184.07277	6.2
185.16583	13.4
186.12387	5.2
186.16940	1.5
187.10831	6.7
187.12585	2.8
192.06573	1.8
195.14978	2.3
196.06065	1.3
196.14513	1.5
197.12939	6.6
200.14124	7.7
202.08191	2.5
209.09222	6.1
210.07640	5.2
211.14513	2.5
212.13939	2.0
214.15486	1.8
223.10823	3.8
227.10199	4.0
229.15434	6.8
235.18172	1.6
240.13397	2.9
241.11696	1.9
242.18619	4.9
252.17059	1.4
253.07118	7.7
254.14931	2.1
267.09827	2.2
270.21890	3.2
278.18652	2.4
281.11295	5.1
284.12613	10.1
296.19647	5.9
297.19275	1.3
298.13831	4.5
309.14380	5.9
322.17581	2.2
340.18570	3.6
353.21796	2.7
371.18909	1.7
371.23038	12.8
380.18100	8.7
381.18497	1.9
397.20956	35.1
398.21091	3.9
414.23404	3.6
415.16470	3.2
415.21832	100.0
416.22208	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	415.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
58.00579	4.3
59.01384	100.0
63.15825	2.2
63.87402	2.2
69.03457	3.1
69.27125	13.8
71.01387	75.5
72.99299	8.4
73.02962	10.3
81.03471	2.4
83.01394	5.1
85.02944	15.0
87.00888	15.7
89.02449	88.6
93.66827	2.4
95.01385	5.2
97.02950	6.7
98.22576	4.4
99.00877	4.2
101.02449	65.4
102.24184	2.3
104.92653	2.3
109.02950	2.4
113.02459	28.0
119.03515	23.7
123.05566	2.0
125.02442	15.3
131.03510	3.2
143.03482	12.5
149.04617	2.6
161.04591	13.1
179.05612	28.3
221.06601	6.0
235.08214	10.3
253.09303	18.2
254.09827	2.6
263.07788	3.3
305.08722	3.0
397.37872	2.1
415.14569	97.2
416.14987	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	415.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.5
58.00597	2.2
59.01388	75.0
60.01725	1.7
61.12687	2.0
69.03455	8.2
71.01391	82.6
71.32523	2.6
72.01732	2.4
72.99304	5.4
73.02961	15.2
74.02486	4.8
75.00874	3.3
81.03468	5.4
83.01396	7.5
83.05025	5.8
84.32176	1.7
85.02966	15.2
87.00869	3.1
89.02460	100.0
95.01394	3.9
96.96023	14.4
97.02956	11.0
97.04079	7.2
99.00888	18.7
99.04517	3.3
101.02462	23.1
106.04285	2.3
107.05045	4.4
111.00895	3.7
113.02450	12.7
115.04019	6.3
116.05063	2.8
119.03503	4.5
121.06611	42.0
122.06973	1.9
125.02475	43.6
125.05205	1.5
125.06096	7.7
125.29932	1.7
130.08742	11.9
131.03580	9.2
131.04362	1.7
133.02998	2.3
138.01953	5.4
143.03535	5.0
149.04590	15.5
151.04004	10.1
161.02469	5.8
161.04538	7.3
173.11867	2.7
173.13351	3.7
191.05638	8.0
203.08330	7.2
223.13387	3.8
233.06689	41.9
234.07140	4.5
235.13469	3.3
253.14595	2.8
256.20200	2.2
286.17819	2.6
293.08820	32.2
294.08920	2.3
335.17044	3.6
381.21338	5.2
415.13232	13.5
415.18839	22.1
415.23825	7.8
416.13699	3.4
416.19513	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	415.1615
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.51924	1.3
55.01885	9.1
57.03450	7.2
58.00585	2.3
59.01095	2.5
59.01385	49.3
69.03448	2.3
71.01386	100.0
71.32937	2.2
72.01718	2.3
72.99292	3.5
73.02948	44.1
73.39640	1.4
74.02460	1.2
75.00866	3.4
81.03447	2.5
83.01388	17.7
85.02959	47.1
87.00878	5.4
87.04585	1.4
87.29046	1.2
89.02454	23.2
95.01388	9.4
96.00938	7.3
97.02950	6.3
98.02505	6.6
99.00887	19.3
99.04514	2.0
101.02446	78.3
102.02841	1.5
109.02983	1.3
110.02505	3.4
110.56463	1.5
111.00910	2.4
113.02455	33.9
113.03590	3.8
115.03987	3.2
116.07149	1.6
125.02451	8.5
130.08737	18.5
131.03508	5.7
131.04584	2.2
139.08685	1.5
141.10329	1.8
141.23906	1.3
143.03514	5.6
146.04610	1.8
149.04567	4.9
159.03008	7.5
161.02501	2.4
161.04570	50.8
162.04933	2.2
166.07466	1.6
166.08710	2.6
169.09781	2.6
185.80545	1.2
186.12466	3.3
187.10976	1.3
191.05653	2.3
197.16536	3.4
205.03537	1.7
233.06647	7.6
242.18898	1.5
243.17183	1.6
283.11884	87.6
284.12271	8.2
293.08792	2.8
299.20947	1.3
326.01431	1.5
371.22827	2.2
380.18198	25.2
381.18518	2.6
397.21072	7.9
407.91730	1.6
415.16071	75.6
415.21136	4.5
416.16574	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	415.1613
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.00593	2.4
59.01382	71.3
60.01700	0.7
69.71760	1.8
69.72165	1.4
71.01385	58.7
72.01699	0.7
72.99298	3.0
73.02573	1.2
73.02953	17.2
73.04076	3.1
74.02464	0.6
74.42425	0.6
83.01393	1.8
85.02961	6.0
87.00879	1.2
88.04052	1.1
89.02450	100.0
90.02796	1.2
95.01410	1.1
96.00910	1.7
97.02943	1.2
98.02503	1.8
99.00886	30.4
101.02449	35.3
102.02767	0.7
102.59827	0.8
109.01707	5.6
113.02458	10.8
115.00394	1.5
115.03999	0.9
116.07170	1.4
119.03511	5.8
125.02449	3.9
129.10345	2.5
130.08720	3.0
131.03513	16.0
132.03030	1.2
138.09247	0.8
141.10333	0.6
143.03496	2.3
149.04562	47.5
150.04877	1.7
161.04529	3.1
166.08774	1.9
169.09793	0.7
177.25143	0.7
179.05614	1.8
186.12448	5.5
191.05611	13.0
210.07750	5.5
221.06720	1.5
224.17735	1.0
243.96735	0.7
251.07735	3.0
262.77310	0.7
268.38794	0.7
281.19830	2.0
299.20984	1.5
300.19342	2.0
323.16348	3.3
371.22894	0.7
380.18338	1.5
385.21109	0.7
397.21048	3.7
415.16144	5.1
415.21982	3.5
416.22260	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	415.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13646	4.0
58.00607	7.7
59.01385	100.0
60.29578	3.9
69.09115	31.7
69.09525	7.6
71.01028	6.1
71.01388	68.2
72.99297	4.2
85.02950	13.1
89.02454	93.4
95.01408	5.2
96.46500	3.5
99.04541	18.7
101.02459	33.9
110.81335	4.0
113.02460	28.8
115.76727	4.5
119.03538	39.3
131.03471	4.4
138.85318	3.8
143.03513	7.6
149.04503	4.2
179.05605	11.0
193.72311	3.9
220.54695	5.4
235.13390	77.5
235.51767	4.0
236.13828	5.0
359.13226	3.8
403.12180	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	415.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	6.4
59.01370	6.4
69.61417	2.8
69.61828	8.1
70.02972	4.5
71.01390	15.9
73.02940	5.2
73.04082	25.8
74.02489	42.6
78.26622	1.8
82.06643	2.0
83.01398	2.6
85.02944	3.2
85.04085	2.2
85.95712	1.7
87.05637	3.9
88.04063	2.8
89.02470	3.7
95.01405	2.1
96.00931	23.1
97.04068	5.6
98.02517	13.2
99.00893	2.3
101.02453	7.0
109.01662	3.1
111.00898	2.1
112.02789	3.3
112.05258	2.2
112.25861	1.8
113.02448	2.9
113.03582	9.4
114.05616	3.6
115.00378	3.0
115.05160	34.1
116.03515	2.0
116.07198	57.1
119.45583	1.8
123.03264	3.6
125.03599	2.2
127.05120	7.6
128.03630	1.7
129.10318	8.9
129.35117	2.2
130.06224	5.1
130.08731	7.4
131.04628	6.4
138.09293	4.5
139.08743	6.1
140.07182	2.6
141.10345	3.4
143.11916	10.1
145.06195	2.9
149.09731	5.3
154.06303	2.4
154.07454	4.3
155.08273	3.0
161.04584	7.1
165.10320	3.0
166.08739	10.1
169.09787	7.3
172.07263	3.9
183.11366	1.7
184.87952	1.8
185.16641	28.2
186.12440	3.9
186.16920	2.2
187.10902	7.3
195.15022	2.0
211.14536	2.6
224.14015	2.0
225.16075	8.8
229.15517	8.3
242.18771	21.2
256.20319	3.0
268.12830	2.1
283.11966	9.1
286.17654	4.9
299.20819	8.1
300.19321	2.1
323.16061	3.3
336.19345	9.3
371.23080	2.8
380.18307	78.5
381.18359	8.0
385.20941	50.3
386.21222	6.8
397.20972	34.2
398.20731	3.6
415.16107	7.9
415.21945	100.0
416.22397	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	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21539	2.2
70.21889	5.2
74.99078	3.4
77.00224	3.4
77.00674	69.2
83.84605	1.4
96.96039	1.8
98.21823	1.9
147.08290	1.6
161.75963	1.3
163.11320	2.8
187.11232	3.0
237.31331	1.6
280.14825	2.4
335.20755	1.7
337.21747	100.0
338.22098	12.3
415.23135	11.6
416.23383	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	417.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
63.63988	1.7
69.21082	5.8
69.21490	11.1
71.01365	2.9
74.46272	2.2
75.00863	4.0
85.02944	23.9
87.00884	39.3
87.92527	4.6
99.04532	16.2
103.92045	5.4
110.27860	2.3
111.00888	100.0
112.01210	4.2
115.00335	2.3
128.03566	4.6
129.01973	6.0
129.57947	1.9
133.01437	2.6
141.22282	1.9
143.03496	24.1
173.00998	4.5
187.02486	17.3
189.99432	2.1
191.01979	95.5
198.99228	8.0
199.94106	2.6
202.98837	2.3
242.98186	3.0
268.99771	9.1
312.98624	4.0
363.10809	2.4
373.01205	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	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
51.39881	0.1
57.19304	0.1
59.01371	0.5
65.00321	0.3
67.01895	0.3
68.56420	0.1
68.99805	0.3
69.03448	0.2
71.01389	0.4
76.36911	0.1
81.03458	0.6
84.02187	0.3
84.80644	0.1
85.02952	0.5
88.34354	0.2
93.03481	0.2
95.01392	1.2
95.05047	0.3
97.02948	0.2
98.21700	0.3
101.02496	0.2
105.03448	0.2
107.01337	0.2
107.05032	0.6
108.02172	0.3
109.02962	3.9
111.00893	0.6
121.02934	1.0
121.06560	0.4
122.03748	0.1
122.99997	0.3
123.00896	4.8
123.04547	0.9
124.01664	0.6
125.02464	1.1
131.05040	0.3
133.02966	0.6
133.06538	0.2
135.00911	0.2
135.04532	0.5
136.01695	0.2
137.02457	15.7
138.03027	0.5
139.00383	0.6
139.04092	0.8
145.02956	0.3
147.04521	0.3
149.02440	1.9
149.06087	0.4
150.03215	0.7
150.57236	0.2
151.00378	27.5
151.03973	1.5
152.01189	3.1
152.03682	0.3
152.04797	2.7
153.01900	0.5
153.05574	0.4
154.02704	0.5
159.04526	0.6
160.05292	0.3
161.02434	0.4
162.03203	0.3
163.04054	0.8
164.04790	0.5
165.01927	1.2
165.05557	0.2
166.02725	65.9
167.03357	4.4
168.04152	0.2
173.02452	0.3
174.03171	0.3
175.03975	1.4
175.07611	0.2
176.01122	0.3
176.04736	0.2
177.01949	4.1
177.05627	0.5
178.02676	0.8
179.03535	0.7
179.07147	0.2
179.82217	0.1
181.05075	100.0
182.03835	0.2
182.05406	4.1
184.03738	1.3
187.03993	0.2
189.05556	0.4
190.02721	0.6
190.06349	1.3
191.03508	1.2
192.04311	1.4
193.05043	1.2
195.03011	0.8
202.02740	0.2
203.03505	0.6
204.04315	0.2
205.05072	1.3
205.08704	2.1
206.05809	0.3
207.03127	0.1
207.06604	1.2
209.04581	0.4
217.05046	0.4
218.05914	0.3
219.06590	0.6
220.07439	0.2
223.06187	0.1
224.03175	0.3
233.08133	0.3
235.06067	0.2
243.06610	0.2
255.06485	0.2
257.08344	0.2
259.09625	0.3
273.07135	0.2
281.04538	0.2
298.57855	0.2
299.05493	0.4
301.07193	0.9
301.10403	0.1
311.05600	0.2
311.09000	0.2
314.07855	0.3
316.09482	0.3
329.10208	0.8
339.08215	0.2
341.10315	0.3
344.09052	0.2
356.12491	0.4
357.09869	0.7
359.11404	2.5
360.11523	0.2
371.14978	0.7
372.08527	0.4
387.10852	16.5
388.11209	1.6
402.13214	13.0
402.17374	0.3
403.13638	1.5
417.15576	27.3
418.15939	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03455	1.2
58.00599	1.6
59.01385	100.0
61.98820	0.9
67.93884	0.8
69.38848	5.4
70.17883	0.8
71.01388	28.7
72.99317	1.6
73.02953	3.7
73.04076	1.1
74.02486	4.5
77.99306	0.7
83.01398	3.1
85.02971	7.5
87.00906	1.5
89.02457	24.0
89.84634	0.7
91.74070	0.8
95.01397	2.0
99.00912	1.6
101.02455	17.4
102.02768	0.7
103.05145	1.0
113.02469	12.6
113.03352	0.9
113.03522	0.8
119.03513	11.5
123.04527	1.8
125.02497	1.2
125.27518	0.7
129.10370	1.4
130.08701	1.4
131.03496	1.1
143.03502	3.8
149.04613	1.4
159.02966	1.2
161.04596	18.8
161.05971	1.0
177.09215	6.6
179.05632	6.1
192.09491	0.8
195.10298	1.6
213.52600	0.8
242.18599	0.9
301.22153	0.9
357.15613	22.5
358.15735	2.6
373.20908	1.2
387.22409	0.8
417.17227	1.5
417.22403	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	417.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35104	2.2
58.00592	5.7
59.01385	100.0
71.01385	70.7
72.99310	7.0
83.01376	2.5
85.02956	10.5
89.02453	97.7
95.01378	6.5
99.04526	25.6
101.02446	37.7
113.02441	29.0
119.03508	40.7
120.03838	2.9
121.23627	2.1
131.03467	3.4
134.34322	2.6
143.03545	5.8
149.69896	2.2
161.04561	5.8
163.15074	2.9
179.05649	12.0
198.64551	2.1
229.20129	2.9
237.14975	84.4
238.15347	7.5
417.21332	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	417.2135
Annotation	Maryal
Peak:m/z	Relative Intensity
50.42193	1.6
53.46113	1.6
57.03456	8.5
58.74472	1.4
59.01387	100.0
59.90461	1.5
60.01682	1.7
61.98824	2.4
63.69632	1.5
67.87775	1.6
69.02504	18.8
71.01392	25.0
71.04990	1.7
72.99310	2.8
73.02941	2.7
73.04076	13.8
83.01386	3.3
84.00914	2.2
85.02949	5.0
87.00884	2.0
89.02462	10.3
91.86330	1.6
95.01372	1.7
96.96016	1.5
99.00874	2.2
99.04514	5.9
101.02479	13.5
113.02486	9.9
115.10453	1.5
119.03496	4.0
124.81009	1.8
125.02457	2.2
129.01976	1.9
130.08713	3.0
135.04469	1.7
138.05602	1.8
166.02731	2.8
168.11418	2.2
181.05072	2.3
190.91672	1.5
191.94922	1.6
195.10252	5.9
210.05588	3.9
211.04024	2.8
212.10338	4.3
215.07503	1.5
219.06566	1.6
227.03578	5.6
234.37010	1.7
240.04327	2.5
244.13060	8.7
255.02989	5.2
257.04617	4.3
272.06760	2.8
284.03235	4.6
285.04022	3.8
287.09183	6.6
357.19327	3.0
373.18860	3.0
399.20093	6.0
400.13309	1.7
417.08282	2.3
417.21292	84.4
418.21634	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	27.8
59.01378	25.0
61.98839	2.6
69.29443	16.0
71.01386	10.2
73.02948	6.0
80.24035	1.7
83.01377	3.1
83.05008	2.1
85.02961	4.8
85.06593	3.5
87.00886	100.0
89.02449	4.4
96.96016	7.9
98.22488	3.9
99.04521	16.9
101.02454	9.2
113.02445	3.7
115.07665	10.4
119.03538	2.0
123.04492	3.7
123.93143	2.2
124.01714	2.5
125.02428	7.8
129.09258	2.8
130.99893	3.9
138.03262	15.6
143.10779	2.9
193.15964	3.9
211.17059	6.5
237.14969	6.6
237.39841	2.2
255.16000	7.5
270.34875	2.0
283.22809	7.9
293.21225	6.0
311.22284	8.4
313.20166	14.0
329.19653	4.0
337.20197	44.9
338.20618	4.7
343.21332	2.9
355.21368	3.9
373.18619	4.3
375.78378	2.4
417.12778	2.3
417.21301	55.8
417.27182	4.0
418.21472	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	417.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
61.98814	2.7
68.73968	1.1
71.01377	1.6
71.02513	10.2
72.00916	1.3
73.04078	25.2
74.02472	8.4
84.00904	2.5
85.04092	3.4
86.02507	1.2
93.60291	1.2
97.63322	1.2
97.87942	1.2
103.05151	41.1
104.03547	5.1
111.02039	4.4
112.07689	3.3
115.08823	3.0
125.07211	4.1
127.08790	5.2
128.03558	1.7
129.02969	1.3
129.10384	6.0
130.08760	59.1
131.09084	1.8
138.05632	4.2
139.08739	1.4
141.10269	2.4
143.11914	43.0
155.08287	10.7
155.11903	3.5
169.09848	8.1
172.10924	4.0
174.53415	1.3
185.09396	1.6
186.12436	2.8
187.10919	11.2
200.14093	1.7
202.11996	1.8
212.10394	1.9
242.11523	16.9
242.18759	40.5
243.19029	3.0
252.17203	3.9
256.20358	2.5
268.20309	1.6
299.20908	13.5
325.22391	3.0
330.20303	3.1
343.19937	13.4
355.20209	6.3
373.20963	100.0
374.21234	10.9
380.16406	1.4
387.22321	4.8
399.22202	2.0
417.17661	2.6
417.23483	28.6
418.23865	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	417.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48178	32.3
70.52021	100.0
77.84179	29.4
83.15652	32.3
88.70873	32.6
375.96735	33.8
411.83954	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26883	6.5
60.55481	5.8
63.40603	6.4
71.30606	11.6
87.00899	7.6
87.92541	53.6
96.22635	6.3
96.95982	7.5
101.70016	8.8
102.49136	6.2
103.92030	100.0
104.92808	24.8
105.93623	17.9
106.94395	7.2
123.94672	27.3
145.96745	31.8
161.96187	47.9
168.76625	7.0
189.95711	12.2
199.94170	62.7
247.50024	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	418.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49427	2.4
59.01384	13.6
59.81889	2.0
61.98834	100.0
62.00069	2.5
68.72256	2.3
69.24957	12.5
69.25368	7.5
71.01402	4.2
73.04051	4.1
74.34869	2.4
89.02451	3.1
101.02419	4.2
128.03519	3.0
130.08755	3.3
255.08862	3.8
299.47507	2.5
374.21323	6.2
418.22787	3.0
444.38525	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77823	1.2
59.01388	7.3
61.98833	100.0
69.06187	5.2
69.06614	6.3
71.01412	3.0
71.84543	1.3
73.02937	1.2
73.04077	1.5
74.02484	2.3
80.76101	1.1
84.38678	1.3
85.02918	1.4
89.02439	2.0
101.02422	2.7
113.02437	1.6
115.68982	1.1
121.02909	1.5
130.08766	1.7
161.04529	2.7
166.04095	1.2
175.03851	1.6
185.16652	1.2
192.72940	1.3
256.19208	2.2
270.30292	1.2
375.16876	4.6
385.17584	1.3
419.19543	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	418.166
Annotation	Ancistrobenomine A
Peak:m/z	Relative Intensity
57.03454	1.0
59.01382	9.1
59.84579	0.7
60.01723	0.9
61.98814	1.3
66.03477	1.5
69.60591	5.0
70.11128	0.8
71.01379	3.3
73.04097	0.8
74.02483	1.4
74.93418	0.8
83.01419	0.9
84.04555	5.0
85.02977	1.7
88.04060	2.2
89.02466	1.5
95.05061	1.0
96.00948	0.7
98.02483	1.3
98.22492	1.1
99.05650	1.5
101.02449	2.1
102.05618	22.4
107.99944	0.7
109.03004	0.9
110.02485	1.0
112.04045	1.1
113.02469	1.3
116.07178	2.6
124.07697	0.9
127.05151	2.9
127.08780	1.0
128.03549	100.0
129.03880	2.9
129.10345	4.1
130.08745	8.7
131.09055	0.7
137.09790	0.8
140.05893	0.8
140.07159	1.3
143.07098	0.8
146.04608	22.3
149.06131	1.4
155.08289	2.5
158.02827	1.9
161.04520	2.1
163.88916	0.7
169.13463	3.0
171.15057	5.4
175.05405	0.8
176.03902	4.9
178.08698	4.4
181.71205	0.7
183.11424	1.0
186.12373	0.8
195.11479	1.5
197.12978	1.8
213.63197	0.7
215.14056	2.5
226.09094	4.6
227.10341	2.8
229.10838	1.5
241.06580	1.8
243.11836	1.7
271.11215	2.5
281.09332	1.9
289.12305	32.5
290.12537	2.2
358.36563	0.8
374.17670	3.4
383.14526	2.6
387.08673	1.1
400.16324	1.2
418.16595	48.7
418.21970	2.1
419.10818	2.0
419.17087	3.8
419.23184	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	418.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	9.3
59.01373	5.4
63.13409	1.4
70.82417	2.4
70.82753	3.4
71.01376	3.4
85.02960	5.8
87.00877	2.4
89.02444	2.8
91.65871	1.5
94.49202	1.6
96.79262	1.5
96.96016	4.8
99.04539	3.8
99.92612	2.1
109.06538	1.6
113.02449	3.8
115.92081	8.6
116.92875	3.4
119.03442	1.8
132.01678	1.5
147.90891	1.6
155.10748	3.7
161.04665	1.8
183.13916	5.8
195.13882	4.4
213.14957	64.2
213.17018	3.3
214.15326	4.1
239.20056	2.2
297.24283	3.0
313.23999	2.1
338.20413	1.7
373.29623	3.8
401.29312	3.3
418.22528	4.3
418.28534	3.4
419.30151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19617	2.2
59.01381	14.2
61.98831	10.1
69.63428	9.7
70.02960	1.9
71.01384	38.1
73.04078	33.3
74.02478	3.5
75.76526	1.9
76.61961	2.0
78.91894	3.4
80.11053	1.9
88.03531	4.0
88.04045	57.4
97.42823	2.1
109.03223	1.7
111.00827	2.0
111.05621	5.5
113.07233	6.6
115.00379	63.4
115.08768	25.2
116.07183	10.3
125.07204	12.8
127.05128	2.4
130.08739	4.2
132.03040	41.1
139.05171	2.4
141.06705	10.8
143.11850	4.0
152.07167	2.7
154.09866	2.2
163.08818	13.1
164.07187	2.6
167.02266	2.1
167.05847	2.3
169.09819	3.9
180.11435	9.2
187.05458	6.5
187.10878	6.7
194.12962	3.2
198.12495	5.6
204.08125	5.0
211.09129	6.6
212.07504	3.5
212.14058	6.5
228.11786	9.8
231.09901	2.1
237.13509	4.5
242.08093	2.3
246.12865	7.6
255.14626	2.8
285.13925	51.8
286.14200	2.5
300.15613	3.4
303.14975	70.5
304.13242	49.3
304.16095	2.5
305.13577	4.2
375.16971	20.3
376.17477	2.1
384.12164	3.2
401.14877	2.7
419.16058	100.0
420.16467	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43194	0.8
56.38208	0.8
57.03450	1.5
58.00592	3.3
59.01384	70.1
60.01707	1.2
61.98833	1.8
69.41928	6.8
71.01386	60.7
72.01740	1.1
72.99302	4.6
73.02949	16.7
74.03281	1.0
75.00864	1.1
83.01398	2.4
85.02945	7.0
87.00893	2.3
87.05274	0.8
89.02451	100.0
90.02785	1.0
95.01410	2.4
97.02961	2.2
98.21754	1.6
99.00888	34.1
101.02450	38.1
102.02834	1.1
111.00951	0.8
113.02460	13.0
114.02844	0.9
115.04044	0.9
119.03508	8.9
119.67905	0.9
125.02472	6.4
131.03513	17.6
143.03520	2.4
149.04562	50.9
150.04817	1.1
161.04503	4.0
179.05652	2.5
191.02696	0.9
191.05635	15.3
221.06487	1.1
233.06688	2.5
242.18752	1.5
251.07779	2.9
267.70819	0.8
271.14651	0.9
287.15039	2.0
378.48083	1.0
401.25354	0.9
419.18423	10.0
419.23508	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	419.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38586	0.7
57.03462	5.0
59.01380	1.9
69.03452	0.7
71.01376	0.7
71.05013	1.1
73.02957	1.4
83.05029	2.6
85.06627	1.3
87.00889	100.0
88.01218	1.2
97.06624	1.6
98.22524	1.5
99.08188	2.3
101.16209	0.6
103.55071	0.6
110.75446	0.6
113.09737	2.2
123.08151	1.3
124.01691	1.0
125.09740	1.4
130.99907	3.5
138.03198	1.0
141.09273	1.2
141.12852	0.7
143.10782	5.2
146.90961	0.6
147.04587	0.9
151.11380	0.7
153.12840	1.5
155.10793	0.8
157.12360	0.9
161.02487	0.9
164.07185	1.0
169.12308	1.9
183.13892	0.7
186.12563	0.8
241.21716	1.0
251.20261	1.7
265.21640	1.2
267.23392	1.4
269.21188	2.0
271.22797	2.5
281.21240	0.6
283.22974	3.9
285.24393	14.0
286.24896	1.3
287.22180	1.0
295.22836	5.3
313.23923	9.8
314.24280	0.8
315.21777	11.4
316.22623	0.8
339.21805	51.6
340.22183	5.4
357.22830	2.9
376.18729	3.9
383.20908	1.5
401.21909	1.9
419.22931	47.9
420.23422	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	419.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.9
59.01383	3.5
61.98827	1.6
66.72595	1.0
70.85203	3.0
71.01387	1.8
81.03478	1.3
85.02966	3.5
87.00895	3.7
90.29359	1.0
96.96015	1.7
97.06590	1.3
103.43830	1.3
117.39582	1.0
123.08170	1.8
127.11311	2.6
130.08710	1.1
135.04483	1.2
137.09763	1.1
141.12952	1.2
157.12308	1.7
161.02464	1.2
171.13849	2.7
179.03632	1.2
201.15088	1.2
228.30078	1.2
315.25171	1.2
371.28107	1.6
373.29584	2.6
401.29028	3.4
419.30194	100.0
420.30450	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	420.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.02688	0.6
58.02979	10.0
59.01372	0.9
61.98809	0.5
70.45320	1.4
71.01390	0.8
72.00923	4.4
73.02936	0.6
73.04079	8.3
82.06609	1.3
83.02518	0.5
89.02457	0.6
90.70779	0.4
91.05546	5.1
97.04082	1.6
98.02492	3.9
98.21776	0.5
101.02437	0.9
108.08215	2.3
111.04398	0.7
112.07683	1.0
115.05142	5.4
118.06614	1.2
126.09221	0.7
127.05179	0.4
129.10356	16.0
129.11327	0.8
135.04482	0.5
139.08762	1.5
140.07272	0.5
141.10344	2.1
143.11923	1.8
147.03351	0.9
147.04529	18.7
151.08775	2.2
152.07185	10.6
153.05476	0.7
155.08270	1.6
164.07175	46.5
165.07515	2.4
167.47441	0.4
167.52383	0.4
168.11429	19.9
169.09845	1.7
185.12973	0.7
186.12485	35.6
187.12914	2.3
196.09804	1.7
210.12485	23.3
211.10876	4.7
211.12877	1.4
228.13489	2.8
233.16580	11.3
234.16943	0.8
259.14624	0.7
264.62079	0.5
277.15619	6.2
290.18735	10.3
291.18979	1.0
292.08401	0.5
332.19827	6.2
376.18781	100.0
377.19028	10.9
402.20291	1.6
420.13437	0.6
420.21429	11.8
421.21695	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	420.2758
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.71767	0.6
60.30061	0.6
65.07458	0.7
70.60880	1.9
89.17102	0.7
93.03437	0.7
103.01531	0.8
121.02967	100.0
122.03310	3.5
122.89388	0.8
127.87054	10.1
157.86328	0.8
159.86008	21.0
162.92554	1.1
199.89148	2.9
220.14557	1.5
239.06364	0.6
336.43988	0.7
366.78461	0.7
382.06342	0.8
419.98108	1.1
420.03806	1.6
420.27563	52.2
421.27811	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	421.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.3
59.01371	0.6
67.01900	2.3
67.71740	0.5
71.30784	0.6
77.50939	0.4
78.95905	1.3
85.02956	21.5
86.03281	0.5
87.00882	34.1
88.01210	0.9
90.65018	0.5
92.45107	0.4
96.96968	0.5
103.98111	0.5
111.00890	100.0
112.01237	3.4
125.58686	0.5
129.01952	5.4
130.99939	0.8
142.96642	9.6
144.02660	0.4
154.99892	0.7
158.99768	0.5
160.97713	3.8
162.84569	0.4
173.00940	4.9
175.96390	0.6
184.97672	3.8
191.01987	89.6
192.02356	3.6
192.44141	0.5
199.23325	0.4
201.00774	1.3
202.98799	0.9
212.97153	2.9
219.01831	0.6
230.98238	5.2
254.91502	0.5
254.98291	2.1
272.99298	2.5
316.98239	2.0
340.01971	0.5
420.99860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72909	0.3
59.01386	1.0
61.98834	100.0
71.01390	0.6
71.31229	0.6
71.31589	0.3
73.04063	0.3
78.95913	0.4
82.03009	0.4
83.46225	0.2
87.05672	0.6
89.02471	0.3
96.96982	0.3
99.00948	0.3
101.02463	0.4
102.05605	0.3
120.01290	0.2
125.02472	0.5
127.05170	1.2
127.55389	0.3
128.03575	1.9
130.08777	1.0
134.02509	0.5
135.58395	0.2
144.07779	0.6
144.11462	0.3
145.06206	0.6
145.09819	1.5
146.10237	0.5
147.04564	1.2
164.07172	2.2
195.11516	0.4
205.13576	0.3
217.12027	0.3
219.23602	0.3
237.13565	0.4
255.96880	0.3
275.10333	0.5
301.14185	0.6
354.65549	0.3
358.34668	0.3
359.20963	0.4
377.19681	0.5
383.15787	0.6
390.05322	0.5
403.20041	0.7
421.07220	0.6
421.12912	0.4
421.21649	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	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34102	24.9
59.01373	31.5
61.98823	100.0
62.74261	23.9
70.56609	52.9
99.91913	25.4
120.01249	30.7
123.13287	21.5
177.90744	23.3
227.67760	25.8
284.35696	27.3
343.37155	27.8
385.40323	25.1
421.16333	56.6
421.21381	45.9
428.77859	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
57.07498	1.3
58.02996	2.1
59.01374	4.6
59.62115	1.5
61.85306	1.6
65.03289	1.4
69.82623	3.0
69.83025	5.9
70.02984	8.2
71.05029	8.6
87.05646	5.9
99.04529	6.6
115.05131	2.2
116.07164	2.1
124.95149	1.5
125.03331	1.6
130.03317	8.1
130.92801	1.5
135.73360	1.4
146.08243	71.1
147.05981	2.5
163.92307	1.5
217.11938	15.8
258.62155	1.6
277.12286	100.0
278.12592	4.1
389.47046	1.5
392.38000	1.6
403.18973	1.9
422.19357	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	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54701	15.1
61.76442	13.5
66.50680	15.3
70.47173	43.6
73.80174	13.6
75.58231	14.2
114.00234	20.1
158.49034	16.6
173.93607	14.8
224.56082	17.0
421.16254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.63390	5.6
52.67343	5.6
55.01883	6.7
59.01383	36.8
61.98852	8.2
69.39302	6.4
69.42557	33.4
70.47585	5.8
71.01388	100.0
73.02945	35.8
83.01415	15.7
84.98656	6.3
85.02950	36.4
87.00896	9.6
89.02467	23.6
97.02940	8.7
98.22481	11.8
99.00895	15.8
101.02457	56.9
113.02486	34.1
114.25341	6.9
125.02486	10.0
155.24527	6.3
159.03094	8.5
161.04572	48.0
289.16617	46.6
396.70602	7.7
421.20746	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2086
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01876	5.2
57.03456	6.4
59.01386	39.6
61.98827	7.1
71.01392	71.5
71.32819	3.3
72.99300	3.5
73.02952	33.3
81.03436	2.9
83.01389	11.8
85.02962	34.6
87.00886	8.5
89.02455	17.9
90.72913	3.1
95.01418	4.8
97.02943	4.4
99.00896	15.7
101.02454	58.8
113.02475	25.4
119.03527	2.8
125.02491	3.8
130.08762	3.4
131.03532	3.7
135.04536	5.7
143.03464	3.8
144.87256	2.7
159.02963	3.9
161.02455	5.1
161.04620	27.3
199.13441	17.1
259.19156	3.1
289.16608	100.0
290.17096	6.8
356.21808	4.9
366.69104	2.7
421.20529	77.1
422.21091	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	31.9
57.13758	1.4
58.02968	3.4
59.01387	37.4
61.98817	6.3
63.96601	1.5
70.02975	7.2
71.01389	14.6
71.05022	4.8
71.32480	2.8
72.00905	2.4
73.02970	8.0
73.04073	52.8
74.02477	69.7
82.02967	2.9
83.01416	3.4
83.02496	2.9
84.85369	1.7
85.02966	2.9
85.04072	2.6
87.00869	1.8
87.05643	4.2
88.04089	1.5
89.02460	8.5
94.98066	1.9
95.01347	1.5
96.00955	1.8
96.36163	1.5
99.04526	32.0
100.04086	2.1
101.02454	17.3
101.07238	3.8
111.05624	1.9
112.02780	13.2
113.02468	7.2
113.03584	4.6
115.08735	1.7
116.07194	4.6
118.05102	7.9
119.03545	3.1
119.05001	9.9
123.04546	4.4
123.05703	2.0
124.04041	8.5
125.02444	11.6
127.05124	7.3
127.08768	8.6
128.03531	4.5
129.10336	6.2
130.03346	4.9
130.08757	26.7
131.05006	2.6
133.02921	2.6
134.06119	5.0
135.04523	4.6
139.05072	3.0
141.06705	7.1
143.03529	1.9
143.11894	8.1
145.06168	3.8
146.06146	18.5
146.08224	38.7
147.04538	2.1
153.06732	1.9
154.07457	3.6
155.08272	14.4
161.02449	3.4
161.04567	3.0
162.09242	2.9
167.04556	2.8
171.80751	1.9
173.09302	7.1
175.00357	2.3
184.07265	2.0
184.11035	2.2
185.05766	3.8
190.02739	11.4
190.05162	2.6
202.12326	3.8
205.05074	19.1
215.12955	2.2
217.12022	8.4
220.10945	13.0
223.06044	4.8
228.10291	24.1
230.08282	8.4
232.13443	8.0
247.10854	5.0
254.15128	4.1
258.16113	2.3
259.11911	5.1
259.14511	18.0
262.15836	1.9
273.08783	6.8
277.12314	49.5
278.12503	2.3
285.16187	2.9
291.09882	7.4
293.15018	2.5
302.14963	4.4
320.16241	5.7
333.19312	2.1
359.20969	2.4
377.18289	100.0
378.18729	10.0
385.11288	4.1
404.18271	17.5
421.21072	31.7
422.19434	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	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46976	1.0
70.95422	2.0
78.95905	23.0
110.98539	46.9
136.68619	0.9
149.24699	1.0
152.99574	4.7
167.01173	1.3
185.02217	100.0
186.02663	2.3
241.52176	0.9
253.21721	26.2
254.21985	2.3
421.23355	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	422.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58979	4.5
58.99597	15.5
70.70699	10.1
71.01396	10.3
80.57850	5.4
85.02976	6.6
87.00863	9.8
102.98604	100.0
104.93230	4.2
112.04044	29.9
126.98154	5.1
163.58899	4.1
166.43121	4.3
174.51396	5.6
249.06203	8.2
283.04919	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.9
61.98835	4.5
69.72652	4.5
71.01384	8.8
85.01484	1.6
85.02962	1.7
89.02449	3.6
96.00924	1.0
101.00964	5.9
101.02470	1.9
102.98884	3.1
113.02455	1.9
115.00431	0.9
117.00458	16.3
118.00570	1.1
119.05042	1.9
125.02480	0.9
133.01561	1.2
133.02968	1.4
135.04529	4.0
141.00464	7.0
144.99991	1.7
150.04175	2.2
161.02458	5.9
171.01517	3.0
171.03014	25.0
172.03223	2.5
173.00957	38.0
173.04582	9.3
174.01091	2.9
175.01006	1.4
175.02533	27.8
176.02678	2.4
179.03520	2.1
187.99673	11.8
189.04158	1.0
190.01277	4.8
195.01460	2.9
199.02515	8.0
200.02724	1.1
201.00488	42.8
201.02493	6.8
202.00668	4.4
215.02019	17.0
215.99181	1.5
216.02417	1.8
217.03577	19.9
218.03854	1.5
219.01529	21.2
220.01692	2.4
229.03619	2.4
243.01503	100.0
244.01694	9.8
245.03084	1.3
259.04568	1.6
260.01669	1.3
261.02551	74.2
261.04663	3.0
262.02716	8.8
273.02420	4.0
277.64163	0.9
279.83475	0.9
292.86017	0.9
303.03610	18.7
304.03818	2.6
315.03485	2.2
319.06763	6.4
333.04651	9.4
334.94647	1.0
341.08743	1.0
342.39377	0.8
363.05746	34.0
364.05914	5.7
388.15115	2.5
405.17447	1.0
423.07861	48.1
423.17435	1.6
423.23877	1.7
424.08090	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	423.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.5
57.13677	1.2
59.01385	8.7
61.98826	6.6
71.01390	11.7
71.32968	2.3
73.02937	4.4
85.02927	4.7
87.00900	2.1
89.02418	4.2
96.00925	1.4
99.00883	2.0
101.02445	8.3
101.03013	1.6
110.06099	2.2
113.02449	1.9
113.03606	2.4
114.09282	1.6
125.02412	2.2
125.09731	13.8
128.10818	1.4
130.08755	100.0
131.09093	2.8
135.04482	2.8
136.04005	1.9
145.02971	1.6
146.13081	1.4
148.35193	1.3
154.12386	6.4
156.06575	2.4
161.02493	2.2
161.04515	2.2
161.09720	1.5
167.11874	4.8
181.13455	3.1
187.09781	10.8
193.13383	2.3
201.11391	1.8
211.10873	1.7
217.08533	1.6
222.69847	1.3
225.12419	1.9
246.11685	11.1
252.07797	1.5
259.10977	1.8
261.12756	17.2
267.10309	3.6
273.12759	2.1
291.14478	3.5
303.13834	93.4
304.14026	6.1
304.17261	1.2
315.13986	4.0
333.15005	17.5
420.86444	1.6
423.18320	45.7
424.18741	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	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03456	92.5
58.03789	1.5
59.01387	100.0
71.01390	25.4
71.54675	1.3
73.02951	9.9
75.57365	1.2
77.34784	1.2
80.80639	1.2
81.03452	2.1
83.01394	4.8
85.02961	13.9
87.00909	1.8
89.02456	5.4
91.67545	1.1
95.01392	2.4
99.00885	5.6
99.04530	83.2
101.02461	38.1
113.02477	12.5
117.09193	1.6
119.03495	2.8
125.02464	33.5
125.09712	3.7
125.93456	1.4
126.02921	1.4
128.85802	1.1
135.04529	2.0
143.03500	3.8
159.02959	2.3
161.02505	1.6
161.04584	14.5
187.09775	3.2
261.13394	2.2
263.24860	1.4
279.11465	2.6
279.14523	48.1
280.14890	1.6
321.15530	5.5
357.15277	1.3
361.18991	1.4
392.09836	1.5
423.18970	8.0
424.18970	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	423.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
57.03448	8.2
58.00583	3.4
59.01388	78.3
69.16008	8.6
69.16424	10.9
70.23693	2.1
71.01392	73.2
72.99315	5.5
73.02947	13.7
83.01389	13.0
85.02962	39.6
87.00893	4.3
89.02452	53.6
90.39697	2.2
95.01418	11.5
97.02953	3.0
98.22482	4.2
99.00906	6.7
101.01804	4.3
101.02460	68.9
113.02469	100.0
119.03524	19.2
125.09792	2.9
130.08772	16.7
131.03525	4.0
133.02921	3.0
143.03510	7.5
148.04411	11.9
149.04686	2.7
154.12405	6.2
161.02501	4.1
161.04572	31.1
161.09738	6.7
165.05504	2.2
168.10310	2.8
179.03571	2.6
179.05670	15.3
190.91666	2.3
198.11261	3.3
202.12567	3.1
219.10245	3.2
246.11603	3.5
261.13022	11.0
279.57794	2.6
303.13831	63.3
304.14127	3.8
333.14935	9.4
423.18390	37.9
424.18671	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	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40997	1.6
55.01861	2.8
57.03450	100.0
59.01384	70.8
61.98818	3.1
63.02241	1.4
64.31738	1.3
69.26116	13.3
71.01382	18.4
73.02960	9.0
73.04079	3.6
73.99503	1.2
74.02479	1.4
75.66295	1.5
81.03461	2.0
83.01386	3.3
85.02971	10.6
87.50745	1.5
99.00865	2.6
99.04524	72.2
101.02451	30.1
113.02451	8.2
125.02464	21.5
130.08733	2.5
135.04561	2.4
148.04355	2.2
161.02409	3.0
161.04596	7.1
163.04030	1.8
249.12425	2.0
279.14517	18.7
280.14514	2.2
323.59552	1.6
332.97562	1.6
394.14349	2.9
423.18161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68050	0.7
51.19894	0.6
54.42909	0.7
55.01880	6.3
57.03457	5.7
58.00599	1.4
59.01383	33.7
61.98814	1.0
69.03450	1.8
69.22118	6.1
71.01385	72.2
72.01724	1.2
72.99298	3.4
73.02949	37.1
74.03268	0.8
75.00871	2.0
81.03413	0.7
83.01391	16.0
85.02954	35.3
86.00107	1.8
86.03270	0.6
87.00882	4.6
89.02451	11.7
95.01392	5.0
97.02963	2.9
99.00887	13.3
99.04539	1.0
101.02447	72.3
102.02771	1.6
111.00883	2.4
113.02455	27.4
114.02795	0.8
115.04020	2.8
118.97467	0.6
119.29992	0.7
125.02446	4.8
129.01976	1.2
131.03510	2.7
132.06990	0.8
143.03461	3.6
149.04565	1.7
153.69955	0.6
159.03012	5.2
161.04564	30.4
162.04944	0.9
165.52693	0.7
187.92181	0.7
191.05684	0.8
199.13420	0.9
205.03542	1.6
221.81853	0.7
233.06660	3.5
249.05432	0.7
291.18152	100.0
292.18561	5.9
293.08810	1.2
335.17245	1.0
358.61026	0.6
423.22372	86.2
424.22763	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60544	0.6
69.47295	2.2
69.47717	1.8
78.95912	16.1
104.97443	0.8
110.98545	11.0
113.40745	0.6
137.00108	0.6
152.99617	0.7
167.01154	11.1
171.96562	0.6
185.02238	2.6
240.32787	0.7
255.23305	100.0
256.23669	6.4
268.93356	0.7
383.24649	0.8
410.83987	0.7
423.25177	16.2
424.25497	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	424.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.7
61.98843	9.9
71.01393	33.7
71.32298	6.1
73.02968	17.0
80.96533	4.6
82.60334	4.4
85.02972	13.6
89.02475	7.9
96.00944	7.1
96.96042	12.3
99.00917	11.1
101.02449	41.8
109.01721	6.3
113.02439	7.9
116.07224	6.4
120.01292	7.4
125.02496	6.7
148.04410	6.3
161.04585	11.3
169.13541	10.9
188.52277	4.9
213.12599	10.0
236.10492	4.8
249.13455	44.1
381.17703	100.0
382.18033	9.8
405.89771	4.4
424.15833	8.9
425.08862	12.7
425.15012	11.0
425.22275	6.1
425.27567	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20002	1.8
59.01375	20.9
63.94611	1.7
69.23055	2.9
69.23458	11.2
70.75899	1.5
71.01376	12.6
74.73930	2.0
79.23367	1.6
84.02143	2.0
85.02937	3.0
89.02434	4.2
101.02472	2.4
113.02462	2.7
117.03484	4.1
177.09215	1.8
179.10789	16.0
199.07355	1.7
201.08975	3.3
203.06920	3.2
217.08412	3.6
219.10039	5.3
227.07007	2.2
231.06378	3.0
233.07988	2.2
245.07959	100.0
246.08185	9.4
261.07407	3.4
261.11087	10.7
263.09055	8.2
293.08817	2.2
307.05856	2.2
425.09152	3.7
425.14236	79.7
426.14243	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	425.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.7
59.01387	2.9
61.98840	0.6
68.01398	1.1
68.37913	0.7
69.03555	2.0
69.03971	5.8
70.02988	4.9
71.01381	2.0
72.00922	0.7
73.02962	0.7
73.04079	1.1
83.05054	1.6
88.04048	1.4
91.05556	3.1
98.02489	0.9
100.07697	2.2
100.65402	0.7
101.02457	0.8
113.03629	0.9
116.05083	3.5
116.07195	98.9
117.07571	2.0
127.05145	0.9
127.08766	4.6
130.06267	0.9
131.05081	4.3
132.08205	0.9
133.02975	2.0
134.03793	3.4
135.04543	4.7
137.02446	2.3
139.04037	0.9
139.08775	3.7
141.10336	2.8
142.05165	1.0
144.08215	3.0
146.06093	1.6
147.04492	0.9
151.11320	1.8
160.07689	2.5
161.02502	1.6
164.07033	1.6
169.09842	3.8
179.03517	3.8
187.96703	0.8
200.07140	1.0
202.12402	4.8
203.08318	0.9
204.13956	19.0
204.15742	1.3
205.14273	1.6
205.16043	1.6
217.13535	2.3
231.15028	2.7
243.15085	1.0
246.11279	0.8
248.12903	11.1
261.12491	4.6
263.14032	20.4
264.14362	2.2
275.14020	3.6
287.13965	1.2
305.15100	100.0
306.15445	7.4
317.14963	4.3
335.16153	19.5
336.16501	1.7
425.14383	6.2
425.19247	24.1
425.24051	1.5
426.14505	1.1
426.19702	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	425.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47727	0.6
55.53746	0.6
57.03450	4.1
59.01374	2.4
63.26506	0.6
68.01405	1.2
69.04189	8.1
70.02975	5.5
71.01381	2.5
71.02512	0.8
73.02946	1.2
73.04068	1.5
82.24697	0.7
83.05021	2.8
83.36839	0.7
85.02959	0.8
88.04055	0.8
91.05550	3.8
96.00928	0.7
96.96027	1.4
98.22617	1.2
100.07704	1.5
101.02457	1.9
113.02470	1.1
116.05080	4.7
116.07183	100.0
117.07521	1.4
118.06616	0.8
125.07208	1.4
126.09230	1.2
127.05177	2.1
127.08783	4.6
130.06209	0.8
130.47769	0.6
131.05032	3.1
132.08162	1.4
133.02968	2.3
134.03734	4.0
135.04506	5.6
137.02451	2.7
139.04030	1.2
139.08755	3.3
141.10336	3.5
142.05067	0.9
142.27400	0.7
144.08197	3.1
146.06107	1.7
147.04477	1.0
151.11311	6.0
160.07678	2.4
161.02451	1.6
161.29001	0.7
164.07184	1.5
169.09857	3.2
178.02783	1.5
179.03510	3.0
200.10754	0.8
202.12434	4.7
203.10840	1.0
204.12254	0.6
204.13956	15.1
205.14267	1.2
205.15993	2.7
217.13524	2.5
231.15094	3.5
243.15074	1.4
246.11436	0.9
248.12907	12.0
249.15111	1.5
261.12439	3.4
263.14008	21.8
264.14429	1.6
275.14050	2.8
287.13913	1.2
293.14108	1.4
305.15073	91.9
306.15356	8.2
317.14948	3.9
335.16138	21.8
336.16589	2.5
337.12878	1.0
347.15982	0.9
399.78726	0.7
407.17993	0.9
408.15564	0.9
425.14444	8.3
425.19250	24.2
425.24203	1.7
426.14569	1.3
426.19669	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42274	1.0
59.01377	10.5
61.21669	0.8
61.98830	7.4
64.86283	0.9
69.19731	3.8
69.20154	4.2
70.02977	4.0
71.01368	3.6
71.02505	3.5
71.83440	0.9
72.00906	4.1
73.02939	1.3
81.02201	5.4
82.02952	1.2
85.02946	1.1
87.05638	4.5
91.05542	2.8
95.02528	1.5
96.00917	39.2
97.01231	1.7
98.02478	19.4
99.04536	1.0
101.02445	1.5
109.01703	2.3
111.01974	2.0
113.03583	44.7
114.01995	1.3
116.05122	1.7
118.06625	12.4
124.02805	6.1
129.10368	2.2
130.08737	3.7
131.04704	1.4
135.04564	1.7
143.05032	1.3
145.53825	0.9
146.06096	6.0
147.04535	16.8
148.04915	1.0
157.06522	1.4
158.06085	2.7
159.06961	1.0
161.02469	1.2
164.07162	28.9
165.03058	1.9
165.07526	2.1
172.07713	2.7
174.05583	3.3
175.08704	1.3
190.05148	1.2
191.06180	1.1
192.04445	1.1
199.06387	5.1
199.08688	1.7
200.07169	22.0
201.06621	1.1
205.12390	2.1
217.09827	2.5
238.07492	1.7
243.07764	1.4
246.11298	1.4
250.12369	3.8
251.15425	1.1
256.08578	9.1
265.18137	1.7
268.06180	1.0
291.16119	1.4
291.64014	1.0
293.12955	2.2
294.11346	8.7
295.07251	1.6
311.14038	4.3
329.12698	1.2
347.13977	6.6
391.13004	100.0
392.13345	12.6
408.15710	30.7
408.21106	1.0
409.15790	5.0
423.51617	1.2
426.09323	1.5
426.17130	6.7
427.20508	1.3
427.29727	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	426.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22016	5.9
59.01390	65.3
60.12608	6.1
61.98829	5.8
62.67878	6.1
63.82452	6.1
68.93995	6.4
69.23014	46.0
71.01384	46.0
73.02952	10.1
75.00896	6.8
83.01387	8.4
85.02954	14.6
87.00884	7.5
88.04048	14.0
89.02447	20.6
96.96024	12.6
99.00893	8.8
101.02442	29.8
112.01631	5.9
112.22695	6.0
113.02480	19.0
114.05605	32.7
116.07250	7.1
129.10364	19.3
130.08757	21.8
137.09752	27.2
161.02454	11.1
161.04622	11.7
163.11296	40.9
203.10837	73.9
205.05118	9.8
221.11856	8.1
227.13989	9.6
240.17258	9.5
325.11276	7.2
325.27023	6.3
365.16055	20.5
383.17151	100.0
397.24573	8.0
426.20297	14.5
427.20654	9.6
427.25253	17.9
427.29739	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70274	27.1
61.98835	33.8
64.66644	26.7
65.33643	22.0
69.37695	100.0
69.38116	90.1
89.15339	25.8
96.30988	23.7
107.84352	25.1
112.62370	25.3
119.94752	28.4
188.46336	26.1
341.33237	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
64.55172	0.7
70.34612	1.1
70.34964	2.2
72.00914	21.9
77.21056	0.7
103.05557	0.9
108.88505	0.7
108.97208	3.6
109.20779	0.8
125.30307	0.7
127.96690	1.0
141.98207	4.4
147.04535	60.7
148.04872	2.5
154.97745	5.9
164.07178	68.4
165.07487	2.8
182.67084	0.8
187.98756	3.3
200.98274	2.4
283.91867	0.8
308.03397	1.1
335.05533	3.6
423.90793	0.8
427.11868	100.0
428.12204	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	427.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.00596	1.6
58.03793	2.0
59.01385	100.0
60.01736	0.7
69.03464	1.4
69.12006	7.1
71.01389	30.5
72.99300	1.7
73.02955	21.3
75.00893	1.1
79.05563	1.4
81.03475	2.7
83.01389	9.1
84.02177	18.4
85.02951	7.0
87.00892	2.7
89.02456	20.2
91.18190	0.7
93.63687	0.9
95.01408	1.5
96.96013	1.3
97.02977	1.5
97.06632	2.0
98.22522	1.6
99.00861	1.0
99.04528	71.3
100.04865	1.8
101.02455	40.2
101.76108	0.8
112.84286	0.7
113.02467	11.7
113.06122	2.1
114.05613	0.8
119.03516	5.4
121.06589	0.7
123.04534	9.3
123.05381	0.9
125.02467	24.3
126.02764	0.9
130.08730	1.3
131.03540	2.2
141.05634	2.3
143.03539	4.2
143.04491	0.8
149.04607	2.3
153.05540	1.3
161.04597	6.5
167.10812	1.2
175.80438	0.8
179.05621	3.7
187.11290	1.4
194.19969	0.9
205.12347	15.4
206.12741	1.4
223.13434	20.1
224.13826	1.6
247.17166	1.1
260.53989	0.7
291.16101	2.1
367.17545	3.3
385.18707	3.1
427.20056	2.5
427.29276	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
58.00574	0.9
59.01382	87.0
71.01382	26.9
72.99315	1.8
73.02952	19.7
74.93329	0.8
79.05520	1.0
81.03464	3.3
83.01387	7.6
84.02168	11.9
85.02959	5.0
87.00888	1.8
88.04049	1.1
89.02451	17.2
89.02971	1.7
95.01390	1.7
97.06580	1.0
99.00848	1.9
99.04524	67.6
100.04836	1.0
101.02448	37.7
102.02747	1.1
104.75157	1.0
113.02468	10.0
113.06109	2.6
119.03501	6.5
123.04514	9.8
125.02455	23.6
131.03481	2.4
141.05548	2.6
141.80537	0.9
143.03502	2.8
149.04565	2.9
153.05589	1.1
161.04543	6.1
179.05629	3.0
192.91290	0.9
200.95152	0.9
205.12346	9.4
211.35536	0.8
223.13403	13.5
224.13843	1.0
228.77435	0.8
247.17068	2.5
265.14465	1.5
265.17963	1.0
271.28784	0.9
291.16046	6.2
367.17508	2.4
385.18527	1.3
427.19922	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61280	2.5
57.03451	100.0
59.01384	95.7
69.29205	11.0
69.29627	6.7
71.01389	25.3
72.25555	2.1
73.02937	10.0
73.98186	2.0
81.03471	2.6
83.01362	4.8
85.02964	10.8
87.00922	2.5
89.02473	5.5
96.96024	19.8
99.00903	3.3
99.04521	80.4
100.04094	2.5
101.02445	34.4
113.02455	10.9
113.16210	2.3
125.02447	24.1
129.06651	2.0
129.39519	2.1
130.08742	12.4
136.59821	2.2
161.04588	10.8
169.78326	2.1
190.54561	2.7
221.11768	3.4
221.15370	2.5
247.17020	8.6
265.14523	2.9
265.18149	4.4
269.98773	2.4
283.11899	24.8
291.16000	15.2
309.17026	2.8
427.20453	17.9
427.25305	5.9
428.26273	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08641	15.4
54.45635	15.0
61.98830	18.3
69.22462	20.6
69.22867	100.0
82.02783	13.6
105.51276	12.7
115.92072	21.2
136.93814	14.3
408.97791	15.3
426.97003	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	427.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91247	12.9
56.67762	16.2
60.02090	13.6
62.55745	15.2
69.22034	100.0
69.22440	20.2
165.18594	13.9
193.81105	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	428.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	11.6
58.32169	8.0
59.01376	69.1
59.63168	6.8
61.98863	8.3
69.28493	21.0
69.28899	52.8
70.02982	8.4
71.01385	54.7
73.02959	16.4
73.04073	25.2
73.22134	7.1
74.02470	16.5
85.02950	19.0
87.00875	9.6
87.05632	17.8
88.04046	64.9
89.02464	43.2
96.00910	13.2
97.71570	8.2
98.02503	8.8
101.02449	35.2
102.05614	18.9
113.02477	27.9
115.00394	14.8
116.07152	15.8
119.03487	11.7
127.05164	27.1
128.03545	33.9
129.10373	18.7
130.06290	8.7
130.08757	19.6
139.08830	10.9
140.07095	8.6
143.03564	11.5
143.11919	16.2
145.06213	33.6
161.04617	9.6
179.05711	17.2
187.10875	17.0
249.13512	17.3
250.13911	9.1
256.20328	13.1
295.21518	8.6
313.22562	16.1
314.20758	17.1
345.54810	11.2
381.17624	43.5
382.18204	30.6
394.19705	38.5
411.22443	36.5
428.25372	37.0
429.23492	100.0
448.46799	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	428.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37954	8.9
59.01379	50.6
61.23162	6.3
62.17131	6.8
64.03079	8.2
69.28889	46.4
71.01378	34.4
72.00898	15.5
73.04079	62.0
73.47144	5.8
74.02475	100.0
87.05651	8.3
88.04035	17.0
89.02448	50.9
91.11295	6.4
93.03455	12.0
96.00956	7.1
101.02436	16.2
101.07228	8.2
104.03524	49.4
108.98494	7.5
109.04081	8.8
109.67999	7.7
113.02437	12.9
115.08789	87.6
116.07195	12.5
119.03444	12.0
119.05038	26.2
126.01974	9.0
127.05118	36.6
128.03526	27.0
129.10345	37.3
130.08745	58.0
132.03006	10.5
139.08786	9.1
140.07199	9.8
143.11923	36.1
145.06178	22.8
146.06145	52.0
148.31757	6.7
153.10286	10.3
155.11890	39.4
160.07751	7.7
163.04004	22.9
165.47026	7.1
169.09801	19.0
179.05602	31.4
180.06676	91.0
181.13457	8.1
182.12997	12.6
187.10832	11.3
196.14494	7.3
203.08258	15.1
208.13469	7.9
211.14586	9.5
223.07494	11.1
228.17136	23.8
247.10854	13.2
256.20325	24.4
266.11862	76.9
268.20190	9.3
270.21988	10.8
295.21350	16.0
300.19217	15.0
313.22345	10.7
314.20938	13.9
342.23938	25.5
355.26819	12.6
367.27197	35.0
384.15466	53.0
385.24417	8.1
399.26083	86.4
411.22433	19.0
428.18228	86.7
428.25067	79.6
429.23047	58.4
429.27200	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78864	31.1
71.31802	32.3
76.92331	23.9
78.25244	31.4
84.75966	30.1
118.65593	30.4
128.03557	100.0
129.10344	30.9
130.08827	31.5
145.41913	30.4
147.04976	26.3
153.09239	58.3
176.64529	26.3
205.12424	41.0
223.13409	33.7
385.18878	63.3
428.25189	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42303	2.0
55.44035	2.1
57.03439	4.1
59.01384	41.5
60.59341	2.2
69.41978	13.3
71.01382	22.6
73.02969	4.4
78.07548	2.2
82.63483	2.2
83.01395	4.7
85.02930	6.9
89.02435	15.3
97.06593	2.5
101.02487	10.8
113.02455	9.7
114.15604	2.2
119.03525	4.1
130.08739	4.9
131.03558	5.3
135.04536	27.2
161.04562	8.9
161.09665	4.7
163.11278	18.8
175.11295	8.1
178.15193	2.3
187.11273	5.9
198.99747	2.6
205.12349	100.0
206.12639	5.8
207.10182	2.9
221.06674	17.1
223.13448	23.6
267.12320	20.3
319.49899	2.3
386.72806	2.2
413.95416	2.3
422.72784	2.2
428.25146	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	429.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19046	1.5
66.70280	1.4
69.78387	7.9
72.00899	8.4
72.80440	1.6
74.02470	12.9
74.50782	1.5
116.05071	51.2
117.05463	1.8
129.05835	1.5
130.06604	16.1
131.24568	1.5
135.55283	1.5
142.06618	12.8
145.07703	2.1
159.09268	11.1
170.63043	1.5
182.64252	1.5
186.05681	2.0
192.70175	1.7
203.08263	100.0
204.08562	5.9
225.06456	60.6
226.06871	4.0
269.05350	3.2
301.04984	2.4
429.15353	23.0
430.15350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10816	1.7
57.03436	2.8
58.00601	2.3
59.01387	100.0
60.01717	2.2
60.68862	1.5
69.02853	2.8
69.03255	16.5
71.01391	42.9
72.99297	2.8
73.02924	2.7
80.74576	1.4
83.01398	5.2
85.02970	8.4
87.00909	3.5
89.02453	43.7
91.33015	1.5
95.01394	2.3
99.00891	2.0
99.04517	5.4
101.02460	23.3
110.05630	1.8
111.04523	2.5
113.02469	19.7
119.03529	19.6
119.43919	1.6
125.02386	1.9
130.08772	4.3
135.04503	2.0
143.03465	2.1
161.04582	4.7
161.13382	16.0
179.05664	8.1
187.11348	4.4
205.12364	47.1
206.12730	2.1
207.13986	9.7
223.13326	9.9
249.11363	54.6
250.11731	3.4
267.12289	5.6
429.17599	7.7
430.17224	1.9
430.27896	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
58.00605	1.5
59.01382	100.0
67.89355	1.0
68.32432	1.2
69.03471	1.6
69.73113	6.3
71.01389	26.9
72.99314	2.4
73.02967	1.9
74.02462	3.0
83.01360	3.1
84.68408	1.2
85.02953	5.9
87.00893	2.0
89.02454	33.1
95.01430	1.5
95.06174	1.0
96.00864	1.5
97.06573	1.2
99.04533	3.3
101.02451	14.4
113.02468	16.1
116.05061	2.5
119.03500	14.4
121.38515	1.1
129.10371	1.8
130.08707	2.3
135.04529	1.6
143.03494	1.8
161.04544	2.2
161.13400	9.3
162.32492	1.2
179.05588	2.7
187.11212	3.4
197.16626	1.2
203.08324	6.0
205.12347	22.3
207.10237	2.1
223.13388	18.5
225.16133	1.4
229.12456	1.4
249.11345	23.4
250.11597	1.6
267.12396	26.2
268.12735	1.5
429.17453	3.4
429.25620	6.3
433.98209	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23173	1.3
58.00589	4.2
59.01381	84.8
66.39107	1.6
68.16399	1.4
69.76367	5.4
71.01384	57.3
72.99294	5.6
81.07071	1.5
83.01392	2.6
84.22451	1.2
85.02953	6.7
86.80339	1.3
87.00844	2.7
89.02451	66.6
95.01402	3.4
99.04536	9.8
100.92072	1.3
101.02455	32.5
111.04499	1.5
111.38491	1.5
113.02452	22.1
119.03513	29.9
131.03474	2.6
143.03467	3.3
149.04585	2.9
150.06844	2.0
161.04553	3.4
161.13373	19.0
179.05585	5.6
187.11282	5.0
198.18903	1.6
205.12325	64.6
206.12683	3.9
249.11322	100.0
250.11676	10.0
429.17697	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88856	0.8
57.03446	2.8
58.00586	1.1
59.01382	90.9
59.10681	0.9
60.01700	1.1
69.03448	1.6
69.18121	2.3
69.18529	6.3
71.01388	16.6
72.99332	1.5
73.02953	6.3
73.04067	1.9
74.02482	1.1
83.01376	5.1
85.02963	4.6
86.32184	0.9
87.00885	4.3
87.05660	1.6
88.04044	4.9
89.02448	13.0
95.01457	1.0
96.00941	2.3
97.06593	4.1
98.02502	3.8
99.00822	0.9
99.04556	1.5
101.02460	11.3
101.38465	1.0
103.94429	1.0
107.05036	9.7
113.02455	11.3
113.03543	1.0
115.05129	1.1
115.08799	1.1
117.58806	0.9
119.03485	5.9
120.05840	2.1
124.04005	1.1
125.02451	1.0
127.05150	1.9
128.03560	2.6
129.10359	1.1
130.08733	10.6
135.04546	2.5
143.03493	1.0
143.11893	2.0
152.04796	1.1
161.02449	2.0
161.04594	3.0
161.09744	7.6
161.13373	3.4
163.11307	4.0
179.05646	1.3
180.10275	1.4
187.11282	12.7
189.09244	3.1
197.89957	1.0
198.30116	0.9
203.10721	2.1
205.12343	3.8
207.10289	5.1
223.13391	100.0
224.13722	6.4
229.12369	2.1
231.10533	0.9
249.11362	4.3
250.10938	1.0
256.20450	1.4
263.12729	1.2
265.14590	1.2
267.12378	44.0
268.12729	4.1
281.19772	1.9
291.12585	1.5
299.20786	1.1
309.13690	1.0
364.96552	0.9
369.15259	1.3
379.72760	1.0
385.24454	1.1
394.19934	7.9
399.22485	3.7
411.22455	6.7
429.17624	5.5
429.23608	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34587	1.0
57.03443	5.4
58.00616	1.6
59.01382	100.0
60.01707	1.1
61.23616	1.0
71.01383	17.5
71.05059	1.2
71.18278	2.3
72.99313	1.2
73.02945	2.6
83.01390	3.4
83.03784	1.2
83.05045	1.3
85.02949	3.5
87.00877	7.1
89.02447	15.5
97.06596	5.8
101.02440	8.3
107.05022	15.0
113.02459	7.8
119.03510	4.1
120.05833	3.5
135.04500	3.8
143.03519	1.2
146.07370	1.2
159.08234	1.8
161.04559	1.2
161.09721	14.9
161.13371	5.4
162.61920	1.1
163.11314	2.1
179.05646	2.0
187.11288	19.3
188.11562	2.2
189.09192	4.0
203.10776	2.3
205.12289	6.7
207.10294	6.1
218.09419	1.2
223.13394	91.4
224.13716	5.2
229.12332	2.7
249.11305	8.7
267.12384	74.7
268.12683	6.1
290.84534	1.2
291.12299	2.5
295.31934	1.1
309.13489	2.4
369.15527	2.1
429.17593	7.0
439.24139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93054	16.6
59.01386	100.0
68.77747	14.6
71.01382	39.7
71.31623	24.4
83.71154	16.8
89.02454	31.7
101.02458	16.8
111.20646	17.5
113.02447	19.6
119.34122	15.0
172.07292	33.3
205.12302	20.3
234.65987	15.5
249.11317	49.6
315.57065	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.2
59.01382	97.7
71.01082	1.2
71.01394	13.0
71.05024	2.0
71.32921	1.3
71.33308	1.5
73.02950	4.3
74.02451	1.2
80.21309	1.1
83.01389	4.5
83.05042	2.5
85.02969	4.1
87.00858	5.2
89.02437	7.5
89.39088	1.3
93.23396	1.0
95.01365	1.2
96.00933	1.6
97.06594	4.0
99.04494	1.8
101.02446	7.3
101.07169	1.2
107.05010	6.8
113.02456	6.9
115.08785	1.9
116.07149	1.4
119.03531	4.0
127.05135	4.9
128.03578	1.7
129.10292	1.7
130.08768	10.8
135.04533	3.5
143.03578	1.5
143.11960	1.6
145.06200	3.0
152.04633	1.2
159.08359	1.3
161.04590	1.7
161.09735	6.3
161.13377	4.5
163.11293	3.5
169.09830	1.4
179.05600	1.5
187.11284	13.4
189.09164	2.9
196.55209	1.2
199.18167	1.3
203.10870	2.1
205.12337	6.7
207.10229	6.9
223.13400	66.5
224.13699	5.1
229.12334	2.5
243.17239	1.6
249.11259	6.4
267.12378	100.0
268.12775	6.1
273.24997	1.2
291.12457	1.7
298.24997	1.2
309.13394	5.0
339.14359	1.2
399.26315	5.2
411.22491	7.4
429.17465	4.2
429.23267	5.7
429.27951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01089	5.2
59.01383	100.0
69.09830	21.3
69.10246	5.7
71.01379	16.9
83.01374	2.6
83.05025	3.3
85.02971	2.5
87.00881	3.0
89.02446	14.0
97.06595	3.6
98.22533	4.9
101.02446	7.6
102.44549	2.9
107.05042	12.1
113.02451	6.5
119.03473	4.0
122.74962	2.4
161.09712	10.0
161.13348	5.0
163.11298	3.9
185.13383	2.6
187.11314	18.2
189.09203	5.2
203.10751	3.5
205.12296	6.9
207.10271	6.8
223.13393	80.5
224.13654	4.6
229.12285	3.0
233.29848	2.3
249.11325	7.2
267.12393	72.7
268.12723	6.0
284.12747	2.4
429.17630	5.8
430.73676	2.9
435.15945	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03436	2.1
58.00588	5.5
59.01383	88.3
60.01712	1.7
70.83056	2.9
71.01388	60.8
72.99302	5.8
73.02927	1.8
83.01388	2.9
85.02965	10.5
87.00868	4.6
89.02452	73.4
95.01402	4.2
99.04534	9.1
101.02451	31.3
111.04504	2.2
113.02464	24.7
119.03509	31.7
131.03499	4.4
143.03548	3.8
143.20575	1.3
143.21745	1.7
149.04483	2.6
153.78677	1.4
161.04605	3.4
161.13370	32.5
162.13722	1.9
179.05650	8.8
187.11244	4.5
205.12350	73.9
205.14276	3.8
206.12650	4.1
219.47438	2.2
249.11325	100.0
250.11719	7.8
326.20444	1.5
354.88641	1.5
429.17435	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	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76079	0.1
56.53532	0.1
60.13599	0.1
70.62600	0.1
70.62952	0.3
99.00910	0.3
99.92590	3.5
100.93372	0.8
113.92680	0.1
115.92091	100.0
116.92096	4.6
116.92878	5.8
117.92662	0.2
117.92918	0.2
117.93619	0.1
130.94424	0.2
132.92363	1.3
142.94437	0.2
155.95268	0.2
172.95486	9.4
173.95544	0.6
174.27148	0.1
204.94566	0.1
255.23326	0.8
355.15771	1.0
356.16428	0.3
371.15164	0.4
381.17371	1.2
382.17834	0.3
411.18671	0.3
428.82248	0.1
429.19525	5.7
430.19736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71342	1.3
51.25902	1.1
56.67119	1.1
59.01373	11.8
71.30872	2.0
73.08424	1.0
73.49236	1.0
78.95918	2.7
82.18351	1.1
83.06142	1.6
96.96021	1.5
102.37570	1.1
113.41544	1.2
114.05599	3.2
117.00438	2.4
126.98904	1.2
130.08743	10.5
131.08275	100.0
132.08597	2.5
134.04727	1.4
135.49261	1.1
144.99953	3.4
145.09807	7.2
146.51735	1.3
150.05276	3.2
154.01111	1.7
156.07816	5.8
159.01543	2.3
172.00963	4.9
173.10437	48.1
178.04759	1.3
185.00479	2.7
186.02417	1.2
187.00935	1.2
196.05772	41.8
197.05917	3.5
201.02554	6.0
217.00264	2.7
227.05211	1.4
238.06856	13.6
254.04572	2.3
255.09489	8.4
255.11801	1.4
272.09900	1.7
287.01083	4.8
287.10849	4.9
288.01074	1.8
288.07727	7.9
310.13733	24.6
311.13864	2.3
327.16428	5.9
335.13098	6.6
352.15909	22.8
353.16238	2.8
369.18518	43.3
370.18683	8.9
429.20880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06385	1.5
55.60405	1.6
57.03452	3.6
59.01383	100.0
64.39495	1.7
68.49220	1.4
69.03439	6.3
69.03859	13.0
71.01378	15.6
72.68581	1.8
73.02934	1.5
83.01389	2.3
85.02958	5.8
85.57376	1.3
87.00862	2.5
89.02435	13.0
97.03013	1.8
98.22518	3.6
99.00897	2.1
99.04523	2.1
101.02448	10.3
110.05313	1.5
111.04574	1.5
111.05656	1.7
113.02447	9.4
119.03503	5.8
128.03598	2.5
130.08775	3.1
135.04439	1.9
143.03543	1.8
143.85631	1.5
159.03000	1.7
161.04556	6.2
161.09645	1.5
161.13382	4.9
168.97240	1.4
192.11510	2.1
205.12312	14.2
207.13892	20.0
208.14171	1.9
223.13397	5.7
249.11331	15.2
267.12469	4.8
395.23215	2.2
429.21750	2.9
429.26315	1.6
430.28119	2.0
435.43423	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	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.00584	1.8
59.01387	100.0
60.01719	1.4
69.66132	4.5
71.01390	22.9
72.99313	1.1
73.02945	2.4
83.01385	2.3
85.02963	5.2
87.00887	1.7
89.02457	26.8
95.01389	1.6
96.00918	1.5
98.22462	1.2
99.04509	2.9
101.02442	13.0
102.69238	0.8
107.05112	0.8
110.31609	0.8
113.02479	10.0
119.03519	11.5
131.03488	1.5
135.04477	1.3
137.09789	1.3
143.03500	1.1
149.04474	1.4
153.18375	1.0
160.59128	0.8
161.04559	3.4
161.13377	4.6
179.05615	4.5
187.11386	1.7
205.12346	15.1
223.13434	6.2
229.12323	1.1
239.07430	0.8
249.11334	15.9
265.39758	0.8
267.12402	7.4
403.18845	0.8
429.17764	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.08925	0.7
60.01714	0.7
69.11440	0.5
69.28967	4.0
71.01385	9.7
72.99310	0.6
73.02956	1.1
74.19257	0.7
78.38830	0.5
79.06647	0.6
85.02969	1.6
86.60146	0.6
87.00899	0.7
89.02456	14.6
90.86105	0.5
95.01399	0.7
101.02465	6.1
108.66188	0.6
113.02468	4.9
119.03510	6.6
123.66870	0.5
131.03510	0.6
137.09792	2.0
142.67601	0.6
143.03603	0.8
147.19093	0.6
149.04601	0.9
154.01260	0.6
161.04591	1.7
167.70284	0.5
179.05582	3.3
223.13525	1.9
241.70901	0.6
247.50159	0.6
267.12473	1.3
278.50885	0.5
282.73892	0.5
345.38318	0.6
378.49585	0.5
381.73575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01879	1.3
55.23979	1.3
58.02957	1.7
59.01350	2.0
61.98844	1.6
69.25645	9.5
70.02959	1.6
71.01377	2.1
73.04053	5.0
74.02478	27.9
82.02976	4.1
82.06615	3.9
84.04533	3.5
87.05604	4.1
88.03538	2.0
88.04047	38.9
90.18723	1.3
96.00926	8.8
96.04545	1.5
98.02496	8.7
101.07211	21.1
102.05594	2.4
102.84660	1.3
107.02477	2.2
109.01677	3.6
109.04076	6.3
111.79900	1.2
112.02776	2.0
113.03582	3.6
114.01950	1.4
115.08751	1.7
116.07192	2.2
125.03575	2.7
126.09240	5.6
127.05144	41.4
128.03549	23.2
129.10361	10.9
130.08759	11.0
131.04636	4.3
138.09187	1.7
139.08769	2.7
140.07162	4.5
141.06723	3.2
143.11897	20.5
145.05057	2.6
145.06197	48.5
146.04559	3.0
146.06441	1.6
152.07037	1.4
153.10281	3.6
155.11891	4.6
157.13428	1.7
166.08733	2.4
169.09799	5.0
179.11810	2.3
180.10248	6.6
183.11404	2.9
186.12479	1.8
187.10898	11.8
193.13446	1.4
197.12914	5.1
197.16531	1.8
200.14003	5.6
201.12462	6.3
208.13348	2.0
210.07722	3.7
221.16580	1.5
222.12485	2.6
223.10945	3.6
225.16006	3.8
227.10431	1.7
241.11954	1.9
254.15051	2.5
256.20349	9.9
265.15549	1.4
281.19699	1.4
290.14050	1.4
292.20230	2.0
298.14029	1.6
299.20972	3.3
300.19287	5.1
343.33942	1.4
345.09500	1.2
354.20331	2.5
367.23508	6.6
385.24429	2.1
394.19815	31.1
395.20053	3.1
399.26114	1.7
411.22513	48.6
412.22519	4.2
429.23483	100.0
430.23822	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	429.272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	2.6
58.13894	1.5
59.01379	6.0
69.29210	5.5
69.29619	7.4
70.02962	2.1
71.01381	7.8
72.00921	8.1
73.04080	6.3
74.02478	57.0
74.02876	3.8
77.15162	1.6
80.84901	1.7
82.06622	3.9
85.02974	1.8
85.04111	1.7
86.02482	4.7
87.05666	2.5
88.04050	10.0
89.02442	2.9
94.60003	1.8
98.02511	2.8
98.22585	2.9
101.02454	3.5
101.07211	7.5
102.05623	5.3
104.03545	40.4
104.04178	3.1
112.02801	2.0
115.00365	5.9
115.08783	73.0
116.07205	7.5
116.09107	3.1
119.05033	3.6
122.84067	1.6
126.09258	3.8
127.05145	14.8
128.03558	14.1
128.10780	2.3
129.10342	20.9
130.08745	20.9
132.03035	4.2
135.04575	2.3
139.08806	7.0
140.06140	1.8
140.07202	6.0
141.10426	1.9
143.11906	34.3
143.12932	3.2
145.02959	3.0
145.06177	14.1
146.06102	2.6
149.06068	2.0
151.08830	1.9
153.10390	3.9
155.11920	36.2
156.27229	1.6
163.04034	4.5
165.10378	6.5
166.08746	4.7
169.09883	5.7
179.05719	2.3
180.06723	4.8
180.10303	2.3
181.13522	4.8
182.12956	2.8
183.11360	1.8
183.15016	4.7
187.10910	8.9
197.12924	2.5
197.16656	3.7
199.18164	2.8
200.14008	1.9
208.13425	6.5
211.14575	12.0
223.07619	3.8
225.16083	3.7
228.17160	22.4
242.18826	2.8
256.20297	15.3
267.12265	4.0
268.20337	3.7
278.18811	2.0
295.21426	7.7
300.19107	3.7
313.22574	4.8
314.20920	6.5
342.23962	10.5
355.27203	9.7
367.27115	27.0
368.27405	3.8
385.16034	4.0
385.24246	4.1
385.28543	3.3
394.19516	2.5
399.26117	63.8
400.26440	5.8
411.22321	10.7
429.22809	18.6
429.27972	100.0
430.22977	3.4
430.28549	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	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56073	4.4
59.01389	100.0
60.42380	4.4
61.98819	8.1
61.99937	4.6
69.72506	4.1
71.09140	7.1
71.09484	5.4
78.95888	14.1
83.98228	4.2
92.82114	4.4
109.14758	4.3
127.00440	4.7
138.86583	4.5
152.99608	19.2
166.74445	4.6
291.76563	5.3
295.22794	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.8
71.31268	0.7
72.99308	1.6
74.02471	1.1
81.91087	0.4
82.23877	0.5
87.05620	0.6
88.04060	4.0
90.97176	1.4
96.00972	0.9
98.02523	0.7
113.03593	0.6
114.01994	0.6
115.08808	0.7
117.00435	0.9
127.05196	0.6
128.03607	0.9
128.07265	0.8
129.10374	0.6
130.08760	100.0
131.09143	3.2
132.98206	1.1
141.98277	0.5
145.09860	1.1
157.03624	0.6
159.01463	0.5
164.87631	0.5
174.99239	4.1
187.98849	0.6
201.02559	2.8
201.12419	0.9
204.20247	0.4
216.13612	0.6
217.00325	14.1
217.02275	1.0
218.00690	0.8
219.00476	0.4
228.07285	0.6
230.08965	2.1
244.04965	2.6
246.06641	1.5
272.09958	15.0
273.10132	1.3
288.07700	56.4
289.08145	2.3
298.99487	0.5
299.09271	1.1
315.12479	0.5
349.37225	0.5
370.02231	0.5
370.16687	2.8
395.19485	3.8
400.22867	0.6
412.22311	1.1
430.09012	6.3
430.22452	26.3
431.09198	1.0
431.22745	2.2
452.12106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60550	11.6
59.01379	18.9
71.01364	22.4
74.02464	58.0
95.36296	12.5
99.00865	16.8
102.05627	12.1
105.80488	13.3
109.88696	14.1
127.05149	31.2
128.03529	30.4
129.10341	14.4
131.89236	13.0
143.11925	28.4
143.45975	13.0
145.06207	24.1
159.03096	12.8
161.95866	11.8
187.10875	19.7
238.80515	12.1
256.20291	20.2
306.07901	14.3
387.22043	27.5
412.22971	39.5
430.23965	100.0
431.25290	23.7
447.48352	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	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.6
59.99899	8.4
67.49485	7.5
70.83130	19.5
71.01385	52.2
73.02930	14.6
73.04070	17.7
74.02473	35.2
85.02961	19.0
87.05624	9.8
88.04080	10.1
89.02436	21.8
96.00921	19.3
98.02458	8.3
99.00866	11.6
101.02450	33.6
110.02490	19.3
113.02442	18.3
113.03554	8.8
113.36624	8.0
114.01956	7.4
115.00407	9.5
115.08833	11.5
116.07202	17.8
127.05192	14.3
128.03564	19.5
129.10344	41.7
130.08740	100.0
131.09187	8.1
143.11845	16.7
146.08286	9.6
155.08260	11.2
155.11853	9.1
161.04547	15.3
166.08723	10.4
169.09805	11.8
172.10922	9.4
179.05469	8.7
185.16621	10.1
242.18591	9.1
269.10315	15.8
357.21362	27.8
366.16760	38.7
387.22461	58.5
394.48065	9.1
396.17560	37.5
412.22632	10.5
413.20416	21.1
430.23190	56.9
431.15121	15.0
431.24921	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37717	6.1
55.01868	7.1
57.03455	7.5
59.01382	73.2
69.32555	14.0
69.32967	36.8
71.01381	86.4
71.02516	8.0
72.99326	10.9
73.02962	20.5
73.04088	8.5
74.02468	33.2
78.95957	5.7
81.56548	7.3
83.01385	10.5
85.02946	31.9
87.05649	19.3
88.04052	73.5
89.02459	44.8
96.00914	21.8
96.24314	7.3
98.02484	15.5
99.00911	22.9
101.02453	100.0
102.05630	6.9
104.03560	8.7
113.02431	39.7
113.03593	9.3
114.05618	9.0
115.08801	11.4
119.03563	9.3
125.02382	7.0
128.03529	13.8
129.03912	9.4
129.10353	27.3
130.08759	13.3
135.04543	16.7
139.08780	8.2
143.11896	15.2
145.40662	7.3
155.08275	6.6
161.02513	11.0
161.04530	33.6
161.87833	6.4
169.09906	9.0
175.04010	8.2
179.03439	7.5
179.05646	10.3
186.12517	22.2
187.10815	10.0
201.12401	9.2
256.20251	7.3
269.10400	58.6
281.20013	5.8
282.20203	22.4
299.20923	14.3
300.21335	31.4
304.57211	7.2
314.22971	7.8
387.22610	6.5
395.20184	66.1
400.26465	10.0
412.22910	25.5
430.15051	10.4
430.23343	60.1
431.14786	29.5
431.24600	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	430.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15670	0.6
59.01374	1.5
59.01653	0.4
69.69545	2.0
74.02503	0.5
84.08216	0.5
88.04050	1.7
90.97153	1.7
96.00928	0.5
99.10909	0.4
110.25667	0.4
127.96664	0.4
130.08751	100.0
131.09111	2.9
173.97173	0.6
177.05322	0.4
191.10410	0.4
204.05533	0.6
213.05644	0.4
217.00284	1.1
230.03400	0.6
259.06070	0.6
272.09891	1.1
288.07654	5.3
289.08023	0.5
302.37976	0.4
312.57352	0.5
315.12421	0.9
372.14401	0.7
395.19452	2.0
430.22363	91.8
431.22696	8.4
436.33151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73626	1.0
58.61232	1.0
59.01375	2.5
60.99308	13.8
61.98833	2.0
69.63672	6.0
70.02982	1.1
71.01409	1.2
73.04078	1.8
73.70851	1.0
74.02484	7.1
87.05645	1.2
88.98813	100.0
89.99149	1.9
96.00936	4.7
98.02508	1.9
98.22527	1.3
104.03574	2.6
113.03559	3.1
115.08763	2.0
125.07249	1.7
128.03575	1.9
129.10368	1.2
139.08789	1.2
155.08266	1.1
161.02493	7.6
166.08713	2.3
169.09912	1.1
179.03529	3.2
211.14508	1.6
214.06261	1.1
244.06894	1.0
267.09879	1.3
287.77304	1.6
297.10760	2.2
334.17456	1.5
341.08728	4.7
343.19876	1.8
366.16888	2.0
387.22464	3.3
391.17783	1.2
396.17816	12.7
413.20389	4.7
429.25253	1.0
431.21136	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	431.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25925	1.5
60.75331	2.0
60.99319	15.8
74.02499	2.2
76.34762	1.8
88.98817	100.0
90.44205	1.6
93.31003	1.8
96.00941	1.9
98.02434	1.7
98.22623	3.6
109.02932	2.2
127.05193	3.1
133.03008	3.1
135.04477	2.2
151.32097	1.7
161.02454	20.6
179.03484	4.4
269.08063	3.6
307.08771	2.0
341.08826	6.9
396.17502	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	431.0985
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	3.7
59.33883	0.3
61.98813	0.8
62.65811	0.3
63.02397	0.8
65.00327	0.3
71.01379	1.2
83.01393	1.3
83.79578	0.4
85.02984	0.4
87.00851	0.3
89.02454	0.6
99.04530	0.4
101.02446	1.0
107.01375	2.0
113.02421	0.7
114.05659	0.6
116.05081	0.4
117.03455	1.9
119.03517	0.6
121.02865	0.4
130.08708	1.4
146.03777	0.5
148.01677	0.6
149.02438	1.4
149.99544	0.4
151.00363	3.4
161.02342	0.4
169.01450	0.5
171.04546	1.0
172.05281	0.7
183.04454	0.4
184.05310	0.7
195.04495	0.5
196.05292	0.9
197.05772	0.3
200.04811	0.9
204.59639	0.3
211.03990	1.2
212.04710	0.7
223.03867	0.3
223.13377	0.4
224.04793	0.4
225.05566	0.6
226.08826	0.4
227.03618	0.4
239.03514	3.6
240.04271	4.7
241.04677	0.5
249.11183	0.3
251.11981	0.4
252.06609	0.3
267.02960	2.1
268.03769	100.0
269.04449	31.5
269.13745	0.7
270.04828	1.8
283.06104	0.7
311.05670	0.8
343.16830	0.8
343.20993	0.4
387.20270	0.6
396.15683	0.8
431.09818	72.9
431.22177	1.8
432.10129	8.2
432.23114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03444	3.9
59.01389	100.0
69.05514	4.8
69.05943	4.8
71.01400	14.8
72.99304	1.7
73.02956	5.1
74.99098	1.2
75.00873	2.3
83.01402	3.1
83.05064	1.6
85.02956	5.8
86.08553	1.1
87.00898	2.6
89.02453	7.9
92.57172	0.9
93.03455	1.1
95.05031	1.6
97.02965	1.0
97.06651	1.2
97.54777	0.9
98.22574	1.5
99.00893	3.8
99.04556	3.0
101.02452	9.9
107.05034	2.1
109.02930	1.3
111.00903	1.5
111.04549	1.7
113.02465	6.0
115.00367	1.9
119.03526	2.9
119.05032	3.3
121.02992	1.3
121.06642	1.3
123.04535	1.7
129.01964	6.3
134.03734	2.0
135.02979	2.7
135.04539	1.9
135.11829	3.4
149.06053	1.5
150.03255	3.5
159.11816	1.4
161.04559	2.2
161.09711	2.5
163.04021	2.8
163.11351	3.1
165.05670	1.1
165.09218	2.4
165.12938	2.3
167.09042	1.3
169.28354	0.9
171.39372	0.8
173.01010	1.2
173.09825	1.1
174.01711	2.6
175.11293	3.8
177.12874	11.3
179.10817	4.3
187.11298	2.4
189.12860	3.1
191.10776	6.4
193.10573	2.2
193.12373	8.1
201.12906	2.8
203.10793	2.8
205.12436	5.6
207.13957	2.6
209.11880	5.2
211.11649	2.8
217.12355	1.8
219.10233	3.2
219.13899	1.5
221.10019	2.0
221.11975	2.1
225.14905	1.2
233.10002	1.8
235.11682	2.1
237.11340	4.3
247.08083	3.0
247.13448	1.5
249.11382	7.0
250.11560	1.0
251.12854	1.3
253.12683	2.0
263.13007	2.0
268.03967	1.4
269.08487	3.9
269.13953	16.7
297.08032	3.7
309.13516	1.1
325.11316	1.6
371.20834	2.4
387.11316	9.5
431.10248	3.4
431.22931	65.2
432.23480	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93101	8.0
59.01384	100.0
69.90882	14.6
69.91305	42.2
71.01376	9.5
150.27005	10.1
209.08150	19.9
252.98904	9.0
298.86285	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	431.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83133	1.6
52.19718	1.8
59.01381	1.8
61.98846	3.0
66.78392	1.9
71.30748	2.5
72.00919	14.6
78.95911	2.8
80.11568	2.0
87.51898	1.8
111.79545	1.8
134.04716	2.8
147.04535	39.5
148.04936	2.1
164.07173	100.0
165.07495	4.3
267.65430	1.9
431.10876	8.3
433.21817	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	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69444	5.5
57.41122	6.0
58.17377	5.5
59.01382	92.7
61.98842	10.8
64.39284	5.3
68.87051	5.9
69.24339	15.3
69.24740	36.2
71.01384	73.6
73.04070	15.6
74.02467	27.3
83.05021	8.4
85.02956	9.9
85.04111	6.2
89.02454	100.0
96.00903	15.0
101.02485	37.1
110.02464	8.6
113.02468	25.3
115.08760	7.9
119.03506	41.5
127.05125	7.2
128.03510	6.4
129.10339	12.6
130.08746	60.3
131.03558	7.3
135.04509	8.6
143.03517	14.9
143.11925	11.3
149.04556	10.8
155.08311	9.7
161.02644	5.6
161.04559	18.9
167.07028	5.3
179.05623	85.1
185.16565	9.4
229.15546	7.5
357.21585	10.0
366.16663	27.0
378.17020	11.3
387.22528	36.6
396.17697	26.3
401.27017	10.8
413.20477	11.5
431.19241	24.6
431.24542	11.8
432.19299	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	431.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.5
59.01386	38.6
70.56868	1.8
71.01389	23.3
72.99291	2.8
83.01396	1.2
85.02962	4.7
87.00887	0.8
89.02454	21.9
95.01385	1.3
99.04532	19.1
101.02447	10.7
109.23154	0.8
113.02454	8.1
117.85410	0.7
119.03513	8.6
121.06620	0.8
131.03519	1.0
132.85561	0.6
143.03510	1.5
161.04533	1.2
163.14882	0.9
179.05650	1.9
189.12895	4.1
207.13933	22.4
227.03514	1.2
251.12901	100.0
252.13272	7.5
255.03072	1.8
285.04050	2.9
431.09946	1.5
431.19171	18.2
432.19662	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	431.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82097	2.0
52.12101	2.0
57.03440	5.7
59.01386	87.5
59.98526	2.2
69.33646	10.5
69.34067	4.6
71.01390	16.2
73.02934	3.8
74.02505	2.5
83.01360	2.0
83.05041	2.5
85.02962	4.2
89.02446	11.0
96.96012	2.8
99.04525	3.4
101.02453	9.7
101.14893	2.1
101.15555	2.3
113.02458	6.3
119.03532	2.9
122.22064	2.3
128.03615	2.9
130.08722	3.9
135.04538	2.5
140.13098	2.0
145.02940	2.9
161.04518	4.5
161.13289	3.8
165.05592	4.6
193.05011	3.1
205.12398	3.4
206.12663	3.2
209.11862	100.0
210.12166	6.1
249.11185	3.4
251.12766	2.4
268.03824	7.3
269.04425	5.2
269.13953	21.8
270.14319	3.0
285.24863	2.2
299.14923	3.6
311.15021	3.3
424.52756	2.1
431.09781	7.1
431.18680	10.0
431.23392	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	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.93003	0.2
51.87997	0.3
58.06874	0.2
63.50618	0.3
66.08563	0.3
70.95276	0.6
77.21394	0.2
78.95912	61.4
96.96973	6.5
96.97597	0.3
150.98047	1.9
152.99606	100.0
153.99945	1.3
168.95773	0.2
171.00685	3.2
205.95778	0.3
277.21750	1.0
319.46927	0.3
431.22037	4.4
432.22278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01865	1.9
55.62898	0.9
57.03442	3.1
59.01381	100.0
60.01707	1.7
71.01389	15.7
71.18134	1.7
72.99316	1.1
73.02937	4.1
73.98315	1.1
74.45840	0.9
75.00892	1.0
83.01381	3.3
85.02951	4.8
87.00875	2.0
89.02443	7.8
99.00888	3.0
99.04516	2.7
101.02450	13.6
113.02470	4.9
119.03510	4.4
119.05049	1.5
129.01976	2.0
135.04536	1.0
150.03210	1.5
161.04480	1.2
161.09695	1.4
163.04012	2.7
163.11285	1.4
165.09259	1.5
165.12804	2.0
174.01633	1.6
175.11299	1.4
177.12816	4.5
179.05618	1.1
179.10844	1.4
182.41144	0.9
189.12834	1.9
191.10794	2.0
193.10680	1.1
193.12320	3.3
201.12833	1.8
203.10887	1.3
205.12354	3.7
207.13902	1.9
209.11816	6.2
219.10251	1.7
225.15021	1.3
237.11209	2.2
249.11327	3.9
253.12700	1.5
269.08279	3.8
269.13943	19.7
270.14169	1.2
297.07986	2.2
325.11133	1.1
325.92889	1.1
333.19113	1.6
371.16699	1.1
371.20969	4.6
387.11176	3.9
398.20538	1.0
431.22864	97.9
432.23352	10.7
448.82297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31656	0.6
59.01381	100.0
60.01720	1.7
70.16765	1.3
71.01393	5.0
85.02956	1.4
89.02454	5.9
91.85535	0.5
101.02473	2.0
113.02467	2.4
119.03531	2.6
128.60345	0.6
179.05634	0.9
223.13365	1.2
224.13770	1.1
225.14149	1.3
267.12357	0.7
269.12997	0.7
367.66660	0.6
396.15851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74425	3.0
59.01087	6.1
59.01387	100.0
71.01389	18.4
71.32807	5.4
73.03002	5.5
77.43806	3.4
85.02959	7.9
87.00884	10.3
89.02463	7.6
96.89572	3.1
101.02479	12.4
107.34649	3.7
113.02487	8.7
153.29063	2.9
156.30748	2.9
161.04581	10.0
176.57930	3.1
209.15425	6.4
226.94450	3.7
248.89398	3.6
283.60184	3.8
358.75470	3.4
371.20963	16.2
404.21991	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	431.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.02985	1.5
59.01377	11.6
60.83504	1.8
69.01896	12.5
69.02306	5.2
71.01392	9.7
71.02510	4.3
71.25415	1.8
72.00922	3.2
73.02958	2.0
73.04080	35.4
74.02483	78.1
82.02953	1.7
83.02525	2.5
85.02998	1.9
85.04105	5.5
87.05646	2.9
88.04066	2.1
89.02454	12.3
96.00947	2.9
97.02988	3.3
98.02518	3.4
98.22527	3.6
99.00912	2.6
99.04584	1.9
101.02470	8.0
103.05151	23.4
104.03568	4.4
108.02219	2.9
109.03025	1.7
112.02822	4.8
113.02467	3.9
113.03632	3.3
115.08851	2.3
118.05139	7.9
119.03558	2.5
125.02506	4.1
125.03587	1.9
128.03566	10.4
128.58809	1.6
129.10355	11.8
130.06253	3.4
130.08755	14.0
133.03029	5.0
135.04562	9.2
138.02000	25.1
139.08835	6.1
140.07230	2.7
141.10384	2.8
143.11925	37.7
149.04584	2.8
153.10371	3.2
155.11954	4.5
161.02484	11.9
168.11497	2.3
169.09843	12.6
169.13557	4.9
174.50853	1.7
179.03479	8.3
186.12506	11.1
187.10922	10.5
197.16743	3.2
200.14117	3.6
208.13483	3.9
225.16235	5.1
256.20349	36.1
257.20682	3.9
270.20847	2.6
282.18600	1.9
282.21890	2.3
299.11685	3.2
309.14603	8.0
313.22519	15.3
325.22580	2.7
330.20569	5.5
339.24005	4.4
343.20142	2.4
357.21472	27.7
357.25491	2.5
358.22000	3.1
369.21536	13.5
387.22519	100.0
388.22971	10.4
413.20764	5.6
431.25317	66.2
432.19467	5.4
432.25739	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	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10268	1.2
59.01381	7.2
61.39135	1.3
61.54755	1.5
61.98834	100.0
69.33372	7.9
69.33799	2.3
71.01369	4.2
78.36754	1.4
84.34240	1.4
85.02941	2.1
90.35818	1.5
98.22476	2.6
101.02464	1.7
217.80591	1.6
334.05795	1.4
395.19324	2.2
397.15814	5.3
433.15338	1.8
433.24728	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.6
61.98835	100.0
69.29751	15.2
82.29765	1.9
88.30139	1.5
174.47083	1.7
349.34076	2.0
391.23816	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	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
59.01392	3.3
60.06014	0.6
60.58866	0.7
61.98835	100.0
69.34310	2.0
69.34721	2.8
71.01405	1.2
77.68126	0.7
81.03478	0.6
87.00886	0.6
101.02431	0.9
101.38673	0.6
102.98637	0.7
144.55745	0.6
181.97949	0.7
212.99611	0.7
221.72693	0.8
243.06627	1.5
271.15717	1.0
305.21841	0.6
432.23331	1.2
433.28424	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	433.1147
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03438	1.6
59.01384	2.2
61.98842	2.1
63.02400	1.4
65.00333	4.8
69.07193	2.8
69.07617	1.8
71.01369	2.0
73.04074	0.6
83.01389	3.5
85.02951	0.6
89.02441	1.2
93.03479	6.5
101.02470	1.2
107.01418	9.8
113.02460	1.2
115.08805	1.0
116.05086	0.5
119.05047	28.5
120.05360	1.1
121.02967	0.6
125.02491	0.8
130.08794	2.2
135.04523	0.4
136.01730	0.7
145.02972	0.4
151.00395	30.0
152.00723	1.4
161.02496	0.7
161.04573	0.5
164.01143	0.7
165.01976	1.4
169.01466	0.9
172.11028	1.0
175.00383	1.5
177.01965	4.4
183.04492	1.3
185.06111	1.5
187.04050	0.7
193.01433	1.0
211.04095	2.5
227.07112	1.2
227.16486	0.9
229.05096	7.8
230.05563	0.5
237.09239	2.0
254.44893	0.4
261.67548	0.5
267.18073	0.4
268.03772	0.5
269.04272	0.9
270.04208	1.0
271.06146	100.0
271.15582	1.6
272.06479	7.5
277.99814	0.4
295.06250	0.8
313.07117	1.2
322.17383	0.5
335.80957	0.4
357.50668	0.5
398.16125	1.2
433.11356	4.0
433.23691	3.2
433.28897	1.3
434.20718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.88382	1.3
57.03454	100.0
58.03789	1.5
59.01385	72.7
61.97464	1.3
61.98819	4.4
69.13487	12.0
71.01391	19.8
73.02954	7.0
81.03474	2.0
83.01382	3.3
85.02962	11.5
87.00861	1.3
95.01439	1.2
96.96033	1.4
99.00890	3.5
99.04530	73.7
100.04861	1.4
101.02450	29.0
112.40679	1.1
113.02477	8.5
125.02467	20.9
143.03566	1.9
148.62450	1.3
159.02989	1.4
159.23508	1.1
161.04568	9.1
276.89648	1.7
289.16595	22.0
337.47153	1.3
390.69580	1.2
415.31573	1.4
452.51801	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	433.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18855	0.3
69.10218	1.3
69.10650	1.7
75.60651	0.3
78.95913	75.5
96.96976	6.0
117.76563	0.3
146.73196	0.3
149.77277	0.3
150.97992	2.0
152.99609	100.0
153.99957	1.3
171.00703	3.2
188.26076	0.3
279.23346	1.5
319.37299	0.3
433.23639	10.0
434.23807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78681	0.3
69.78160	1.5
78.95914	56.3
94.37484	0.3
96.96978	6.4
141.04028	0.3
150.98041	2.4
152.99606	100.0
153.99963	1.1
171.00665	3.9
183.41048	0.4
216.94753	0.3
279.23425	1.0
392.46347	0.4
433.23727	4.8
434.24213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	11.9
69.29836	100.0
73.82384	11.4
78.95900	20.9
85.05726	10.9
98.22501	17.6
152.99605	17.4
171.61627	15.1
188.83243	13.1
199.07379	14.5
258.94955	12.1
270.72592	12.8
365.83408	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	434.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17196	24.4
55.23457	25.0
59.01395	26.8
67.63033	28.3
69.09666	23.2
70.72745	67.6
75.82571	24.6
78.37949	26.8
83.05045	62.1
94.24780	23.8
120.48122	30.1
121.02964	39.7
154.37410	27.1
374.40091	29.0
391.29697	100.0
434.09839	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84916	11.1
69.22849	100.0
73.75655	13.1
78.95895	13.5
83.05045	14.9
90.10500	11.3
102.05022	10.8
120.76031	12.7
127.87076	19.3
128.41379	12.1
138.34990	10.6
157.86293	19.8
159.86005	12.2
160.84171	33.7
162.12883	10.7
162.83913	66.2
232.14609	12.1
391.29599	50.3
397.12479	40.8
398.12741	39.7
399.12109	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52838	1.9
57.03421	3.0
59.01365	7.6
71.01386	40.6
71.02452	2.8
72.00881	2.4
73.03710	3.0
73.04073	50.5
74.02457	8.1
83.02498	4.7
88.04047	58.0
96.00890	7.1
98.22515	5.7
99.04530	2.1
113.03559	3.5
113.07208	4.8
114.05637	1.9
114.99562	4.2
115.00371	66.6
115.08781	12.3
116.07197	12.1
119.82976	1.9
125.02405	2.5
126.04272	3.3
129.03018	2.0
129.10371	2.7
131.05011	4.0
132.03044	43.0
141.06671	6.0
146.06085	5.5
152.07126	3.5
157.05180	2.0
169.09859	2.8
184.06448	3.8
187.10851	5.8
200.10822	5.0
202.12389	17.8
203.08153	8.4
220.10831	3.0
227.11873	21.8
228.10204	13.5
236.73293	2.3
244.14473	2.5
245.10440	2.9
245.12943	51.5
269.13126	2.3
287.13895	4.0
301.08176	9.1
301.16672	10.8
319.17761	60.2
320.16058	49.3
321.16382	3.0
329.19885	2.3
345.14319	8.2
352.79803	2.3
386.98761	2.1
391.19852	30.8
392.19733	2.7
417.17630	7.4
435.18698	100.0
436.19089	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	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	47.2
61.98838	2.6
65.25286	1.4
69.32063	12.8
71.01366	3.6
85.02940	1.8
87.75700	1.6
89.02460	2.5
101.02486	3.4
104.87834	1.5
113.02462	4.2
119.03543	1.9
135.04550	3.0
159.92741	1.4
161.02477	1.7
162.53630	1.6
183.13895	7.0
187.20900	1.8
195.13939	7.0
213.14990	100.0
214.15370	7.3
271.84793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01387	70.8
69.63405	10.3
70.22453	2.0
71.01394	12.5
73.02955	6.3
83.01397	4.4
83.04288	1.9
83.29322	1.7
85.02966	6.9
96.95995	2.6
98.21796	2.3
99.04530	80.6
101.02451	32.8
101.60457	2.2
113.02460	4.8
113.07265	2.3
123.46288	2.2
125.02470	20.0
140.36293	1.8
142.76131	1.9
161.04504	4.6
168.15305	2.1
199.51184	2.0
291.18146	36.8
292.18817	2.8
435.22134	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	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20660	0.8
55.01905	0.9
57.03450	2.3
58.00590	1.5
59.01384	80.8
60.01736	1.2
61.98837	2.7
69.26981	7.0
71.01389	66.7
72.01738	1.0
72.99299	4.7
73.02955	17.0
83.01387	1.9
85.02973	7.2
87.00894	2.4
89.02452	100.0
95.01401	2.5
99.00888	32.3
99.04517	2.3
101.02452	41.4
113.02461	14.7
119.03516	14.3
125.02467	3.9
131.03514	16.2
131.60573	1.0
143.03516	3.3
149.04567	57.3
150.04898	1.2
161.04558	3.5
179.05649	3.5
184.46577	1.1
191.05617	14.6
213.14948	4.4
251.07826	4.6
435.22260	15.5
436.22647	1.0
451.83499	1.0
459.34836	0.9
459.41019	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	435.2253
Annotation	HC-toxin
Peak:m/z	Relative Intensity
57.03442	1.5
59.01379	2.3
61.98829	3.0
71.01376	1.9
71.02498	2.5
72.00931	3.3
73.02973	0.8
73.04076	21.4
74.02460	0.7
83.02523	2.7
85.02944	2.5
85.04057	1.1
87.00891	6.0
89.02470	1.2
91.05547	3.0
91.67237	0.7
93.03439	1.5
94.61946	0.6
99.00926	0.9
99.02021	1.1
99.04521	0.9
101.02456	2.1
111.04355	1.2
112.05201	1.6
112.78020	0.7
113.02455	1.5
113.03603	4.6
113.50520	0.7
114.66166	0.6
117.06746	6.4
119.05035	1.1
129.09402	1.2
129.10353	8.9
130.06252	8.0
130.08720	1.7
135.04514	3.2
139.08800	1.2
139.60277	0.7
141.10362	1.4
143.11923	1.8
147.04529	12.6
151.08786	4.1
152.07178	1.5
155.08284	2.1
161.02437	1.0
161.04497	0.9
164.07184	36.8
165.07458	1.2
168.06488	2.3
168.11456	13.9
169.09810	2.2
177.10391	1.2
179.03465	3.9
186.12505	18.0
187.12914	0.7
202.07466	1.5
225.13600	25.7
226.11844	1.3
226.13826	1.4
233.16637	7.3
237.09221	2.9
238.09456	3.4
243.14603	1.6
258.93613	0.7
259.14444	1.3
277.15628	3.2
280.61957	0.8
288.02347	0.7
290.18777	7.0
291.61325	0.8
301.23853	1.1
306.24097	0.8
334.18030	1.0
336.06027	0.7
343.39417	0.8
347.20941	6.6
348.21127	0.7
355.21298	2.2
361.22339	0.9
367.10693	1.2
391.19916	31.8
392.20425	3.3
417.21268	2.7
435.22473	100.0
436.22787	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	435.252
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.27566	0.3
62.96434	0.4
69.92702	1.3
69.99061	0.3
78.95914	54.3
96.35980	0.3
96.96976	6.0
116.75526	0.3
150.98041	2.2
152.99606	100.0
153.99933	1.5
171.00652	3.7
194.01472	0.3
248.33989	0.3
281.24884	1.6
435.25204	4.9
436.25671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
61.18403	1.1
69.35519	8.4
75.55778	1.4
85.89426	1.1
94.06647	2.2
98.22533	1.5
119.05051	16.7
120.01254	17.4
120.08188	10.4
122.06124	3.8
134.21263	1.4
136.07707	3.9
148.07687	8.5
149.04047	1.3
152.07141	1.6
161.07219	1.9
168.53958	1.3
215.11859	2.0
227.11966	1.3
230.03705	1.4
232.92218	1.0
243.15030	8.2
253.13428	2.2
287.14001	8.9
289.12180	1.6
315.13519	100.0
316.13773	10.8
316.16843	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	436.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48319	0.7
59.01375	2.7
66.85348	0.9
69.92589	1.8
69.92982	1.9
80.45354	0.9
94.06657	2.4
94.60879	0.7
102.93073	0.7
119.05037	100.0
120.01268	16.4
120.05387	3.2
120.08207	9.1
121.05499	0.8
122.06128	4.9
136.07678	3.4
145.02965	2.3
148.07704	5.2
150.09294	1.1
161.07214	1.0
164.07150	1.1
215.11835	2.0
227.12073	1.5
241.09744	1.2
243.11472	1.7
243.15009	6.1
253.13466	1.4
271.14435	2.8
273.16037	5.7
287.14017	7.2
288.14331	1.0
289.12241	1.2
290.18860	1.3
315.13519	79.2
316.13715	5.2
316.16769	36.1
317.16888	3.8
338.75150	0.8
412.96603	0.8
436.22260	10.8
437.23007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89748	0.4
58.04180	0.4
59.01380	1.7
61.98822	0.6
62.35228	0.3
69.21324	2.2
69.21750	1.7
71.01378	1.0
85.02959	0.9
89.02443	0.9
95.40015	0.4
99.04497	0.5
101.02458	1.3
104.74991	0.4
113.02444	2.9
119.03484	1.5
161.04591	1.8
183.13919	3.8
193.12338	0.8
206.35216	0.5
211.13426	100.0
212.13753	5.0
225.14908	0.4
238.14592	1.3
253.14511	1.3
373.18710	5.4
374.18890	0.5
436.17435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2245
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.73178	0.6
59.01376	1.1
62.21768	0.7
67.48171	0.5
68.20351	0.6
70.56351	1.5
93.03452	0.6
106.35841	0.6
117.03519	0.7
119.05037	100.0
120.01242	1.8
120.05346	3.5
120.08208	0.7
120.77847	0.6
122.06120	0.6
145.02992	2.9
245.12924	0.7
259.26047	0.6
267.60587	0.6
272.17755	0.7
273.16098	4.4
287.14032	1.4
290.18817	1.7
315.13492	8.7
316.16681	45.5
317.16998	2.9
325.22720	0.7
436.22427	11.5
437.22964	1.2
447.42032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28376	2.0
57.03453	100.0
59.01385	94.1
61.98832	6.4
71.01388	33.4
71.32857	3.9
72.99350	2.2
73.02957	15.0
74.02496	2.6
81.03480	2.9
83.01408	4.4
85.02956	18.0
87.00899	2.4
89.02439	10.3
90.77885	1.8
90.84041	1.7
94.08604	1.9
96.00934	2.1
96.95985	3.6
97.02997	2.6
99.00880	4.1
99.04532	88.8
101.02451	45.3
113.02443	16.2
119.03559	2.4
119.05062	12.3
120.05359	3.8
123.04546	2.5
125.02467	30.4
128.03552	2.9
135.04517	2.8
143.03555	4.6
159.03017	4.3
161.04596	11.2
201.11421	2.5
203.08101	2.3
218.11461	2.4
241.51903	2.1
293.16074	26.6
305.16086	8.9
317.17020	4.5
335.17178	4.5
437.19717	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	437.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.03784	1.6
58.99488	1.1
59.01384	79.3
61.98833	2.6
62.67611	1.1
69.29063	3.3
69.29485	6.5
71.01386	16.6
71.20133	1.2
73.02945	6.0
74.02531	1.4
74.53841	1.2
75.19687	1.2
81.03453	1.7
83.01396	4.1
85.02963	8.2
89.02474	3.7
95.01405	1.3
99.00877	2.6
99.04528	84.6
101.02444	30.8
113.02477	6.4
125.02465	28.8
132.04549	13.8
143.03462	1.8
151.65190	1.1
159.02968	1.9
161.02576	1.3
161.04559	6.5
177.19394	1.2
250.38741	1.3
257.44302	1.3
261.09631	2.2
292.50674	1.3
293.09161	1.2
293.16089	23.0
302.92496	1.1
307.88904	1.1
314.38364	1.2
335.17059	3.3
437.19455	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	437.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
55.88450	2.0
57.03450	100.0
59.01090	4.9
59.01384	84.9
61.02093	2.0
61.98840	13.1
69.35244	2.4
69.72372	13.1
71.01380	22.0
73.02934	8.1
81.03453	3.4
83.01385	6.0
85.02946	13.2
89.02475	2.7
96.95997	3.2
98.22408	3.5
99.00900	4.6
99.04523	79.3
101.02451	32.8
113.02450	9.0
125.02471	25.9
143.03485	2.8
161.04523	8.5
293.16153	28.8
321.24893	2.4
335.17288	2.7
437.19067	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	438.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
61.98827	5.3
69.84851	3.1
69.85268	2.9
71.01382	5.0
78.10961	1.1
78.95896	2.3
82.45574	1.2
85.02935	1.3
86.67035	1.0
89.02446	2.7
96.96021	3.5
99.00880	1.7
101.02450	3.2
107.05016	1.7
113.02449	2.3
114.05626	1.9
130.08762	100.0
131.09109	1.6
145.05049	3.6
145.06145	1.1
145.09761	1.6
157.03604	1.5
161.04601	1.2
190.02222	2.2
198.08380	1.1
199.04536	1.4
210.17682	1.2
245.77861	1.3
258.18134	1.5
269.01456	1.6
270.11826	1.2
277.00323	3.3
277.11978	2.4
296.10120	1.4
307.10129	19.4
308.10532	1.4
332.31287	1.2
340.08774	2.5
367.80679	1.2
370.49063	1.2
378.05377	3.2
385.95480	1.4
412.07669	2.1
438.05679	2.3
438.21429	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	438.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.7
57.49153	6.9
58.45720	7.5
59.01379	26.3
61.98833	27.1
69.32332	67.1
71.01394	34.9
73.02928	18.9
85.02963	21.7
87.05635	9.0
93.03549	10.1
96.96015	9.0
99.00886	13.8
101.02449	48.0
113.02473	14.0
114.05625	64.7
119.05141	8.7
125.02426	10.4
129.10358	26.9
130.08754	23.6
138.56143	8.3
144.07861	8.9
156.06628	10.1
161.04556	21.0
194.11844	10.2
196.96318	8.5
212.51762	9.1
232.13399	14.8
263.14981	56.3
276.12354	9.3
387.57339	8.4
395.19177	100.0
396.19818	11.2
405.08273	8.2
410.24188	8.8
438.17813	12.2
439.20114	13.8
439.29340	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20203	0.7
61.98838	100.0
69.27624	5.8
90.63464	0.8
96.96043	1.2
103.26725	0.7
134.21574	0.7
199.90744	0.8
214.08725	1.1
233.11708	0.8
253.54036	0.9
421.55051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11729	3.9
78.95912	16.0
81.38259	0.4
88.94590	0.4
122.00163	0.7
140.01198	4.9
144.20058	0.4
152.99609	1.8
174.86250	0.4
180.77959	0.4
196.03819	9.1
214.04909	1.7
241.21745	100.0
242.22086	8.1
309.22736	0.5
353.24185	0.4
438.26254	19.4
439.26535	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	438.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40556	0.8
59.63783	0.7
61.98824	0.9
63.77974	0.7
70.44868	2.4
71.51627	0.8
78.95911	5.4
82.45189	0.7
110.05901	0.8
117.54169	0.8
140.01201	1.3
159.69316	0.8
194.88673	0.7
196.02136	0.9
196.03935	1.4
214.04887	2.9
238.08456	0.8
238.94859	0.7
241.21759	100.0
242.22090	7.4
347.25824	6.5
365.26981	2.0
400.50784	0.8
438.26245	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	438.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88822	0.7
60.71304	0.8
61.98838	2.4
63.70834	0.7
63.86786	0.8
68.72658	0.7
69.65549	2.9
76.03816	0.8
78.95913	4.2
80.74573	0.7
140.01115	1.0
160.84254	6.9
214.04811	2.1
224.65915	0.8
241.21764	100.0
242.22134	7.9
280.45346	0.7
347.25961	1.6
374.02921	1.0
438.02194	3.0
438.26230	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	439.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28438	0.6
55.28129	0.6
59.01380	2.3
71.01367	2.1
78.95926	3.2
79.95727	2.9
89.02454	1.0
96.96020	100.0
96.96900	3.9
100.94100	0.6
101.02434	1.5
114.01961	0.7
118.96607	1.2
119.74532	0.6
125.02471	4.5
133.02957	5.6
135.04532	2.3
152.03508	0.9
161.02452	28.7
162.02750	0.7
171.03665	0.7
175.04051	0.7
179.03510	6.2
188.98651	1.0
189.23637	0.6
191.00348	3.1
203.03430	0.8
203.97433	0.8
205.98930	4.0
206.24319	0.6
216.98187	2.9
222.99327	1.2
230.99744	0.7
231.96858	0.8
233.01357	3.4
234.99181	3.5
237.98013	1.1
248.97316	1.7
258.99326	3.9
277.00317	28.9
278.00555	1.7
319.01654	0.8
328.44373	0.7
341.08807	13.7
342.09134	1.0
348.62445	0.7
417.94754	0.7
440.25122	2.1
458.66055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
62.61929	0.4
69.02122	4.9
71.01386	0.6
72.99311	2.1
78.95914	50.8
79.95744	0.8
87.00877	1.2
88.89507	0.4
89.02457	0.9
96.96060	14.8
96.96975	100.0
115.00393	0.6
133.01469	1.2
179.05736	0.8
207.56645	0.5
228.97636	0.6
334.89700	1.3
341.10953	2.1
396.53052	0.5
410.10355	0.5
439.08319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
71.00273	0.4
71.00596	0.7
71.01399	3.4
72.99300	1.1
74.99388	0.4
78.95915	48.2
79.95752	0.6
85.02958	0.7
87.00902	0.7
89.02452	2.9
95.79397	0.4
96.96055	16.9
96.96972	100.0
101.02458	0.9
111.00871	0.6
113.02480	0.9
119.03514	0.9
126.98883	2.8
141.00485	0.4
161.04582	0.4
178.70773	0.4
179.05641	2.1
183.01451	0.4
246.98698	0.4
264.99792	1.1
269.23709	0.5
290.97565	2.1
304.99231	2.4
315.78519	0.4
334.96768	0.7
337.51639	0.4
341.10913	4.3
342.11777	0.4
397.88431	0.5
405.64185	0.4
436.74667	0.4
439.08514	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	439.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54025	0.6
57.03458	2.8
59.01389	3.9
61.98824	1.1
66.03480	0.6
68.39997	0.5
70.85527	1.2
70.85858	0.6
71.01392	2.3
72.00567	0.5
72.00920	2.4
73.02979	0.6
82.06644	1.1
85.06599	2.4
91.05558	2.0
96.96041	0.7
97.06645	0.7
99.04532	2.0
101.02485	1.5
109.88346	0.5
112.07701	1.5
114.09261	60.6
114.15672	0.6
115.09605	1.7
118.06636	6.7
125.02483	0.7
126.09275	2.2
128.10876	0.6
129.10347	9.8
130.08762	0.6
131.05125	0.8
135.04556	1.0
140.10797	0.6
140.73743	0.6
141.10387	1.8
146.08405	0.5
147.04536	20.6
148.04886	1.2
153.10358	2.4
164.07178	40.8
165.07558	1.5
171.11385	1.5
179.03549	0.6
218.15480	0.9
231.15057	1.8
233.16599	1.6
245.16568	1.9
257.16776	0.7
262.14465	4.3
275.14011	1.4
277.15607	14.8
278.15906	1.5
287.13919	0.6
289.15524	0.8
319.16635	100.0
320.16956	8.3
331.16605	2.3
349.17657	15.2
350.18063	0.9
421.20105	0.9
439.20819	25.1
440.21292	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	439.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08889	0.6
59.01372	1.3
61.98849	1.0
65.30739	0.6
67.00191	0.6
67.65605	0.5
68.01413	1.2
70.02978	4.7
71.01392	2.0
82.06628	1.8
83.02486	0.6
85.02961	0.8
90.69939	0.6
91.05531	2.8
98.22522	1.8
101.02438	1.3
109.01746	0.7
114.09268	1.0
116.05067	3.3
117.07103	1.0
118.06688	0.6
130.08748	100.0
131.05042	4.1
131.09097	3.5
132.08194	1.4
139.08757	1.0
140.10817	0.9
141.10332	3.7
144.08223	2.7
146.06126	1.5
148.07727	1.2
149.06837	0.6
153.10300	3.3
155.11972	2.8
155.13037	0.6
156.06706	0.7
158.64609	0.6
160.07730	1.1
173.07205	0.7
174.09334	0.6
183.11412	2.2
216.13947	2.5
218.15503	12.9
219.15877	0.7
231.14951	1.5
243.14893	0.9
245.16631	2.3
257.16641	1.2
262.14478	10.7
263.14899	0.8
275.14114	3.1
275.27588	0.5
277.15570	17.8
278.15933	1.6
289.15604	2.4
301.15631	1.0
305.10806	0.6
319.16629	91.7
320.16974	7.6
331.16595	3.8
349.17722	16.2
350.17981	1.4
361.17554	0.7
409.46661	0.7
421.19879	0.8
439.20859	20.5
440.21176	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	439.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42859	36.8
59.29166	37.0
62.54181	40.5
68.45293	38.8
70.63019	100.0
94.19851	39.5
103.34738	37.4
188.43935	41.9
205.31097	39.2
255.29778	45.0
296.39706	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	20.1
62.93287	14.0
64.66502	18.7
69.23483	100.0
69.23894	36.5
79.94616	13.4
82.96628	15.9
84.50367	15.1
123.01587	16.6
141.13539	14.0
314.04803	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	439.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40658	0.7
58.02974	2.2
59.01373	1.3
61.98828	1.5
66.03477	1.4
70.02983	0.7
71.01369	1.4
71.32985	1.4
79.89769	0.9
87.05640	22.2
89.02501	0.7
93.79005	0.8
96.96033	2.1
98.02485	1.4
101.02519	0.8
111.05641	1.3
112.04041	0.8
114.05614	100.0
115.05949	2.0
125.02422	0.7
126.05615	2.5
129.06711	46.4
129.10355	2.5
130.07062	1.4
130.08711	3.9
130.96548	0.7
146.32275	0.8
153.10382	1.3
155.11867	1.3
157.13402	0.8
159.38783	0.8
161.02422	1.0
175.03989	1.0
181.13483	1.1
183.11362	0.9
183.15068	2.0
194.11847	3.5
195.11369	0.8
197.60713	0.8
211.14554	4.0
213.12376	1.3
237.07858	0.8
238.19243	1.8
271.53040	0.7
280.20367	3.9
282.21884	2.5
297.87421	0.8
324.19217	2.2
353.25485	5.5
395.26535	2.0
422.23074	2.5
439.25540	47.8
440.26245	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
59.48058	0.3
65.56988	0.3
69.61853	2.0
71.01376	1.3
82.90957	0.3
83.05046	0.4
85.02944	0.5
113.02441	1.0
186.66890	0.3
259.20755	0.5
263.92432	0.4
277.21725	100.0
278.19223	0.6
278.22076	9.6
291.23029	0.4
294.38419	0.3
319.22690	0.5
331.22757	0.9
331.28766	0.4
397.49118	0.4
436.08459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67956	0.7
59.01383	5.9
61.98819	2.6
64.96300	0.8
66.03486	1.3
71.01390	7.1
71.32529	1.4
72.99331	0.7
73.02936	2.4
82.02955	0.7
82.06647	1.3
82.14330	0.6
85.02959	2.8
86.81423	0.6
89.02449	3.8
96.00938	1.2
98.02496	4.4
99.00889	1.8
99.04532	0.9
101.02438	4.7
101.07208	2.6
109.04121	2.1
112.07677	2.4
113.02464	2.5
113.03584	1.1
114.05624	100.0
115.05943	2.0
115.08779	4.3
118.06645	2.4
125.02477	1.4
125.07223	0.9
127.05145	6.0
128.03508	1.4
129.10362	42.0
130.08760	11.1
130.10709	0.9
138.09311	1.9
139.08842	0.9
140.07187	1.9
146.04643	0.8
146.06076	0.6
147.04546	2.9
149.04564	0.8
150.11711	0.6
150.12907	1.4
161.04590	2.6
164.07191	6.5
174.05571	0.8
181.13434	1.6
183.15009	1.9
188.99744	0.7
194.11888	9.9
198.66400	0.6
199.18269	0.9
211.14583	3.1
214.08731	2.7
223.14532	0.9
225.16069	1.1
227.14027	2.2
231.11395	0.8
235.09721	1.4
243.17216	0.9
257.09348	1.9
261.16061	1.1
275.10400	1.0
279.17197	0.8
282.21918	2.9
296.23383	1.1
307.17667	4.7
308.19983	1.0
323.16165	8.3
324.22849	5.3
394.80020	0.8
395.30405	4.2
422.17334	5.4
422.22989	3.1
439.21799	4.9
439.29361	36.4
440.18222	7.1
440.29636	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	440.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65979	0.9
57.03449	4.8
59.01367	3.8
61.98825	1.7
70.61353	0.9
70.90085	1.7
71.01380	2.4
85.02901	1.1
99.04511	3.4
101.02412	1.5
125.02493	1.1
132.02223	1.1
133.02954	1.2
135.04453	1.4
188.96465	4.2
192.95938	1.5
193.05035	1.1
216.95912	2.0
218.97502	2.6
248.98566	48.2
249.98921	2.3
272.98630	1.1
278.99628	8.7
319.97830	1.2
325.01886	1.7
353.01163	3.8
379.99942	10.7
381.00540	2.7
407.99353	2.0
440.01996	100.0
441.02335	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	440.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95883	2.0
59.01387	9.1
61.98827	3.1
70.53197	5.9
71.01388	9.2
73.19745	2.2
74.02490	2.4
74.99403	3.1
81.03481	6.1
83.99431	9.7
89.02442	4.8
95.01408	5.1
95.50967	2.2
96.96014	3.8
97.02984	20.3
101.02476	3.7
102.98882	3.2
103.35792	2.1
113.00957	2.7
116.33806	2.4
117.00463	4.7
119.12194	2.5
122.01060	2.8
125.00996	5.4
125.02469	100.0
126.02793	3.6
126.98875	5.7
132.04601	3.4
134.02562	4.1
135.04558	7.3
135.98929	3.4
136.02486	3.1
139.02538	6.5
141.00458	4.4
141.04118	12.2
148.02571	8.5
150.04187	3.6
151.02589	4.0
152.03540	3.7
153.00441	5.0
155.02040	7.4
159.15784	2.3
162.00421	4.0
163.02582	4.7
163.04030	2.4
164.02052	11.8
165.00436	17.1
166.03560	2.9
167.01982	5.4
169.03600	4.0
170.51550	2.2
174.00450	2.6
174.01823	4.1
175.02542	13.1
177.04126	5.5
179.02011	4.5
179.03418	2.6
179.05779	2.5
180.99924	2.7
181.03606	4.3
183.01498	12.8
190.01218	2.5
190.03636	9.9
191.02031	4.4
192.01575	13.3
193.03532	5.5
195.05170	5.7
197.03011	11.9
201.02568	5.3
205.01558	2.3
205.03531	3.8
206.03117	3.9
207.01518	11.1
208.04738	6.7
208.99449	2.7
210.02583	22.9
211.00917	2.5
217.00302	3.6
217.03564	18.7
217.99510	5.0
219.01485	5.5
221.03204	2.8
225.02608	5.3
226.02065	5.1
232.04773	2.4
233.03250	3.3
234.02644	26.2
235.00932	3.3
235.04686	3.4
237.06418	3.5
239.04483	3.1
246.02513	3.2
249.02657	5.9
250.02177	3.0
251.00520	5.5
261.02484	14.8
263.00467	4.1
276.03693	26.2
277.03857	3.1
278.01590	29.5
281.05197	8.1
309.04709	53.2
310.04980	5.9
314.08792	3.9
336.05777	83.4
337.05997	12.4
353.03702	8.6
354.07050	6.2
380.04791	72.9
381.05023	10.8
440.06915	55.8
441.06866	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	440.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40396	2.1
55.82634	2.0
59.01386	13.2
61.98806	6.3
65.94452	2.9
71.01378	15.8
71.02487	3.5
71.33070	2.0
72.00896	8.3
82.02984	3.0
82.06622	2.3
84.04523	2.4
85.02912	2.3
89.02433	9.2
91.05489	2.8
96.96001	3.8
98.02482	2.7
99.00854	3.1
100.04019	3.8
101.02446	6.9
101.07194	20.6
109.04082	14.1
112.07667	2.7
113.03580	2.9
114.05621	100.0
115.05971	25.0
115.08730	4.7
116.07111	3.6
118.06651	24.5
119.20417	2.4
125.02395	4.7
127.04270	3.5
127.05149	61.9
128.03503	6.5
129.10350	42.4
130.07790	2.3
130.08740	15.8
130.10712	14.1
130.11505	2.5
135.04521	5.8
136.70090	2.6
145.06226	13.8
145.83475	2.4
146.04501	4.5
146.06117	5.2
147.04530	29.8
149.04546	3.7
161.02434	3.6
164.05875	4.3
164.07159	61.5
174.05580	3.5
179.03584	2.3
185.16551	5.7
194.11813	10.2
195.12166	8.3
214.08772	21.9
215.12770	4.9
231.11287	9.7
233.06641	3.4
250.12302	6.0
257.09320	13.1
258.13989	2.2
275.10379	14.4
276.10330	2.8
311.13995	3.1
324.15988	2.4
325.23227	4.8
350.22287	2.3
378.18256	5.9
396.30447	2.9
422.17236	43.4
423.17093	6.9
423.22876	2.9
440.18097	76.2
440.29556	51.8
441.18259	10.2
441.30722	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24134	0.9
51.85727	0.7
53.58984	0.9
57.03446	0.8
58.02961	0.9
59.01375	2.9
61.98837	11.7
66.03484	1.2
71.01389	2.9
71.02524	1.5
71.32318	1.4
73.02943	1.3
73.04086	0.9
73.73028	0.7
73.83956	0.7
74.02498	4.0
82.02991	2.0
82.75607	0.7
84.08150	0.7
85.02968	0.7
89.02474	0.9
96.00922	2.8
96.04563	1.1
96.96018	1.0
98.02476	2.6
98.06130	1.2
99.00858	1.1
99.04548	1.0
99.09308	1.0
101.02472	2.1
108.04566	35.8
109.04915	1.4
113.02477	1.0
113.03590	6.0
113.07224	3.6
114.05617	19.3
115.08798	2.4
116.07204	1.0
119.05012	1.5
120.01266	0.9
123.04503	0.8
124.05319	1.4
125.02455	5.6
125.07229	1.3
126.05647	5.7
128.03568	1.9
129.10347	3.2
130.06256	5.0
130.08757	16.0
135.04529	4.0
138.05605	0.9
139.07649	5.9
141.10379	2.2
151.08775	3.1
152.03517	1.6
152.07242	4.3
152.08275	1.1
153.06697	6.6
155.11911	3.3
156.06805	0.9
161.02444	1.5
168.07925	1.2
168.11430	5.6
169.09904	1.8
172.07652	1.8
175.04073	1.1
175.11319	1.2
179.03484	1.2
180.06616	1.0
181.13484	2.5
183.15033	19.9
187.11302	1.9
190.08749	15.5
194.09305	1.5
195.07661	4.1
195.11415	3.5
205.12328	1.7
209.12958	0.9
211.14500	1.0
212.10446	1.0
214.87538	0.8
216.06688	3.0
219.10278	0.9
226.15599	2.3
227.14035	54.8
228.14375	3.2
234.07791	2.7
270.14578	0.9
276.54306	0.9
279.12311	4.3
282.21945	1.6
325.19089	1.5
326.20972	2.5
396.13174	4.6
397.13229	1.4
397.24304	2.0
406.19919	1.1
423.22598	11.6
440.25186	100.0
441.18347	2.4
441.25354	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	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03225	0.3
57.03457	3.6
59.01375	0.9
61.98822	0.3
65.02404	0.2
69.16674	2.4
71.01398	0.5
98.21812	0.5
99.04540	0.3
101.02444	0.8
107.05056	0.5
108.67746	0.3
125.02495	0.4
127.05164	0.6
130.08762	0.6
134.03752	2.1
135.04539	100.0
136.04877	3.4
141.25310	0.2
147.20580	0.2
234.65129	0.3
269.78903	0.2
279.08801	0.3
279.16135	0.3
297.09827	9.7
298.10178	0.7
339.10843	3.0
340.11429	0.3
379.13962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.03781	1.4
59.01383	71.3
61.98822	2.1
71.01382	27.3
71.32883	2.6
73.02937	7.9
78.95908	2.8
81.03504	2.0
81.19910	1.3
83.01397	4.2
85.02971	12.2
85.27989	1.5
87.00854	1.3
89.02473	4.4
99.00907	2.3
99.04527	80.9
100.04846	2.3
101.02450	32.0
107.79311	1.5
108.73932	1.5
113.02458	9.3
117.10918	1.6
125.02462	20.8
130.08783	2.8
141.07222	1.5
159.03023	2.1
161.04581	11.8
167.00482	1.4
210.81099	1.4
248.98589	2.6
249.56563	1.4
249.98782	1.8
297.13412	18.8
298.13763	1.9
405.21393	1.8
441.02274	9.0
441.17679	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	441.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70541	2.1
57.96614	2.3
59.01368	2.7
59.77509	2.1
61.02820	2.3
66.03475	3.3
66.59134	2.4
70.60946	6.5
70.72794	2.3
71.01326	2.8
81.02184	3.0
82.02974	2.8
87.05627	3.6
91.28978	2.7
98.06113	3.2
108.85724	2.5
113.03609	5.0
113.07230	4.1
114.01971	5.1
114.05610	6.1
116.07150	3.1
121.02899	3.8
121.33150	2.4
126.05621	2.8
130.08737	30.6
141.10254	2.8
152.07191	17.6
155.11855	5.3
167.04652	4.0
169.09808	3.8
181.13460	8.9
183.15019	31.2
195.11404	17.5
196.06271	2.5
208.13579	3.0
209.04477	3.3
227.14021	100.0
228.14270	5.4
326.20819	9.2
380.22354	5.0
406.19904	21.3
407.20258	2.9
423.22449	6.0
424.20895	28.9
441.18625	3.3
441.23560	86.7
442.23801	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	442.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.5
59.12385	0.8
70.83151	1.0
70.83492	1.7
71.01404	4.6
73.02927	1.7
85.02969	1.5
88.46396	1.0
89.02448	5.5
93.03463	1.6
101.02464	3.1
113.02468	2.9
119.03515	1.9
121.02976	30.3
122.03367	1.3
124.97998	0.9
148.04066	100.0
149.04375	4.6
169.04471	0.8
204.38503	0.8
240.96077	0.8
442.13654	4.3
443.19159	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89412	11.2
61.98815	16.9
69.02415	12.4
69.27487	15.9
69.27818	100.0
72.65365	10.6
74.18300	12.2
125.18518	13.0
242.64143	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	443.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98037	5.7
60.53931	0.8
64.21292	0.7
65.03955	1.6
67.01888	1.0
69.32078	3.2
69.32485	1.8
71.01349	0.7
87.00882	1.6
89.03975	2.5
109.02956	6.1
115.05533	3.1
123.02758	19.4
123.51870	0.6
124.03082	0.6
130.04269	1.3
131.05058	1.7
137.00674	1.1
144.84789	0.6
146.02005	1.3
147.02771	13.2
148.03551	3.2
149.04312	98.3
150.04713	3.7
158.03757	1.6
159.04538	2.6
167.01721	3.8
185.64700	0.6
193.03291	100.0
194.03622	6.1
249.06104	0.8
443.10345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	7.0
57.97931	1.8
59.01385	2.4
61.85513	1.6
71.32152	2.3
73.31345	1.5
73.54922	1.5
87.90681	1.6
89.04013	3.3
95.78323	1.9
109.02944	3.4
115.05534	3.5
123.02755	17.7
147.02740	12.5
148.03566	2.9
149.04314	100.0
150.04631	3.4
158.03728	2.0
159.04572	4.1
167.01749	4.9
175.06033	1.7
188.56213	1.6
193.03291	99.6
194.03621	4.7
267.06555	3.8
282.09000	2.3
341.10281	3.1
425.08865	7.4
427.44919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
58.00598	2.9
59.01384	64.4
61.98835	1.6
69.03445	5.5
69.35428	7.0
69.35838	1.9
71.01387	66.0
72.99307	3.7
73.02950	11.0
73.04069	3.8
74.02484	6.9
75.00859	2.1
78.95908	14.5
81.03448	2.8
82.02996	1.6
83.01382	3.5
85.02972	8.1
87.00882	3.1
87.05637	3.9
88.04053	1.9
89.02454	76.3
95.01405	3.1
96.00916	12.2
96.96964	1.6
97.02939	10.1
98.02480	10.5
98.22424	2.7
98.24828	1.3
99.00899	12.4
99.04546	2.6
101.02457	13.3
111.00922	3.0
113.02457	7.5
113.03589	6.7
115.04028	5.9
115.08817	1.4
116.07175	2.8
119.03541	2.0
119.05015	2.3
125.02458	38.6
127.05155	5.3
128.03552	7.2
129.10341	6.2
130.08768	7.7
131.03539	9.3
134.03754	100.0
135.04117	2.9
139.08823	3.1
140.07166	1.8
143.03503	3.7
143.11978	1.7
149.04539	11.0
149.06084	43.8
150.06410	1.7
152.99559	1.8
153.10333	2.0
155.11940	1.6
161.02493	2.0
161.04593	2.5
165.10345	3.0
166.08737	4.2
167.04536	1.4
169.09796	2.1
175.02293	1.7
177.44510	1.4
179.03497	1.9
181.09810	2.5
183.11351	3.2
183.15155	1.4
185.16626	1.2
187.10909	1.9
191.05632	6.4
193.03337	3.8
198.08804	1.7
203.10893	2.1
209.09364	6.1
216.09879	1.5
221.11845	1.9
223.10829	2.5
226.11977	2.6
233.06685	33.4
241.12039	2.1
252.21004	1.7
255.13503	3.3
268.16821	2.9
293.08823	23.3
353.06778	1.7
362.08163	2.6
376.18753	2.2
399.22067	2.8
399.26450	3.6
408.21451	18.5
409.21570	2.2
421.69034	11.5
422.19208	3.2
425.24060	18.7
443.24493	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	443.1562
Annotation	Manglieside B
Peak:m/z	Relative Intensity
52.76536	0.2
55.61694	0.2
58.00577	0.4
59.01379	4.5
61.98819	0.3
63.03099	0.2
69.03445	0.5
71.01383	6.0
73.02945	1.1
81.03449	0.7
81.94240	0.2
83.01395	0.5
85.02950	0.5
87.00881	0.3
89.02451	7.4
93.03436	0.3
95.01362	0.3
96.00909	0.7
97.02964	0.9
98.22578	0.4
99.00884	1.3
99.04516	0.4
101.02432	1.9
108.02134	0.5
109.02974	0.2
113.02463	0.9
115.04018	0.6
119.03541	0.5
122.03715	0.7
125.02450	3.9
128.03534	0.4
129.10349	0.5
130.08760	1.0
131.03470	1.4
135.04565	0.4
143.03566	0.4
147.04489	1.3
148.05324	2.2
149.06090	100.0
150.06409	4.3
156.85771	0.3
161.04526	0.3
173.04720	0.3
191.05659	1.2
200.77599	0.2
229.15257	0.3
233.06712	4.2
241.64044	0.3
262.59506	0.3
293.03912	0.3
293.08804	5.0
408.21274	0.7
443.15402	1.5
443.29175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01875	1.2
57.03453	1.3
58.00591	2.1
58.78910	0.8
59.01386	37.4
71.01390	30.2
71.32150	0.7
71.32496	0.8
72.99303	3.5
73.02953	4.2
73.04067	1.4
74.02467	2.8
74.99110	1.8
75.00841	0.7
83.01386	3.1
83.05037	1.0
85.02966	11.1
87.00875	2.1
88.04057	1.7
89.02453	19.5
95.01378	2.7
96.00928	1.0
98.02457	0.8
99.00885	2.0
99.92544	1.0
101.02451	20.4
103.05154	0.9
103.37224	0.8
109.02959	0.9
113.02464	11.2
114.05605	1.2
116.01736	1.5
119.03513	9.7
120.99685	4.8
121.02960	4.3
122.03332	2.1
127.05127	2.1
128.03552	4.9
129.10345	1.9
130.08757	1.7
135.04492	2.1
143.03502	0.8
145.06207	4.3
148.04056	10.7
149.04427	8.4
151.99368	2.7
161.02414	1.1
161.04593	1.5
166.08682	1.4
167.01706	3.2
171.07776	2.8
172.11038	0.8
179.03415	0.9
179.05653	0.9
189.12814	1.4
196.14465	1.9
214.15431	0.8
221.04689	0.8
221.11922	0.8
238.05527	1.5
281.14026	1.8
328.78976	0.8
399.18945	2.1
400.21872	1.7
414.23877	1.3
443.19226	100.0
444.09824	1.8
444.19464	11.4
444.24734	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	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.49348	2.3
59.01387	31.7
71.01381	25.5
71.31327	3.7
73.02936	2.9
79.63385	2.6
83.01402	4.6
83.01993	2.1
85.02953	9.4
85.67596	2.3
89.02438	17.0
90.59438	2.6
101.02444	15.5
104.11259	2.7
104.11933	2.7
113.02444	8.2
117.03411	3.9
119.03495	7.7
130.08740	3.4
134.96233	2.9
135.04562	5.3
137.71991	2.7
143.58067	2.6
220.94797	3.1
268.51654	2.6
273.87418	2.6
275.46518	2.9
295.06091	4.2
297.07684	17.8
325.07089	7.3
353.06665	26.3
365.06613	5.1
383.07809	23.3
384.08148	2.9
425.08881	6.4
443.10196	23.2
443.19235	100.0
443.24750	4.2
444.19592	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	443.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81324	1.4
57.03456	13.2
59.01382	32.5
61.98808	4.1
66.03493	2.1
70.02964	4.0
70.85057	3.7
71.01392	17.6
72.99361	1.7
73.02929	4.4
74.02454	5.1
76.15691	1.4
80.41012	1.5
82.02981	4.6
82.06586	2.1
85.02932	5.5
87.00865	4.6
87.05632	6.2
88.04018	4.0
89.02451	9.7
90.18859	1.5
96.00922	16.6
97.04065	2.3
98.02486	39.8
99.00914	3.4
99.04533	11.2
101.02454	9.4
101.07175	5.4
109.01691	2.7
109.04070	3.3
113.02451	4.6
113.03551	11.2
114.05600	2.5
115.08758	3.3
115.92056	1.6
116.06390	2.7
116.07184	52.6
119.03494	2.1
125.02421	6.7
126.05547	1.6
127.05141	13.3
128.03555	13.7
129.10362	8.2
130.08746	61.5
131.03687	1.5
131.04613	6.6
135.04448	2.7
139.08772	2.7
140.07162	2.3
141.06677	2.1
143.03532	1.4
143.11917	2.0
145.06201	13.4
149.04436	2.1
149.06036	12.3
153.06667	1.6
153.10271	1.9
154.07362	1.8
155.11810	1.7
159.49315	1.5
161.02400	2.3
161.04526	2.4
166.08688	5.0
169.09795	3.9
169.13443	7.1
171.15050	7.0
180.07751	1.6
180.10236	3.4
181.13254	1.5
183.11365	2.4
183.14993	6.9
185.16676	3.0
187.10957	2.2
190.02702	1.5
195.11293	2.2
197.12953	9.9
199.18112	2.8
203.08142	2.0
209.09251	3.4
211.14452	4.4
215.14030	7.5
221.08188	1.5
221.11765	1.8
223.10735	2.7
225.16054	1.7
228.17009	1.6
229.15459	4.5
236.14458	1.6
241.11920	10.0
242.18504	1.8
256.20053	2.2
266.53336	1.5
281.10168	2.1
284.23291	2.6
293.08774	1.7
295.21170	1.9
297.07700	3.9
299.11398	7.5
311.11328	2.4
312.15536	1.7
313.22440	3.6
328.22351	2.5
341.51776	1.6
350.97580	1.7
353.06625	5.4
364.22333	4.5
383.07724	1.6
399.26288	3.2
408.21432	100.0
409.21936	9.5
413.27548	4.2
425.18622	2.4
425.24072	27.4
426.23480	6.5
443.09708	4.7
443.15488	2.2
443.24979	57.1
444.10239	2.0
444.24982	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	443.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
59.01378	25.4
61.98834	1.5
63.28908	1.5
69.06395	5.8
69.06825	9.7
69.63732	1.3
70.78716	1.4
71.01383	10.4
73.02941	5.8
74.02477	20.2
77.64746	1.3
81.28750	1.5
82.06643	2.7
85.02942	3.6
87.05646	9.8
88.04045	3.1
89.02448	5.7
93.03461	1.7
96.00919	17.7
98.02501	2.4
98.22523	3.5
99.04501	2.3
101.02464	8.6
102.05601	10.9
109.01702	83.1
113.02457	4.4
115.08784	16.3
116.07108	1.8
117.03465	7.0
118.05135	1.6
119.03528	3.1
119.05021	3.7
125.02446	1.6
127.05170	2.0
128.02599	2.5
128.03549	43.4
129.03905	2.3
129.10344	16.8
130.08740	20.2
135.04523	4.9
137.02437	1.7
138.05612	1.9
138.09204	3.4
140.10847	3.0
141.10371	1.4
143.11893	3.3
146.04581	7.7
147.12689	1.6
149.06053	1.9
152.07231	1.5
153.10316	2.2
155.11929	3.8
157.13472	2.1
161.02391	4.7
166.08730	18.5
167.11951	1.6
169.13449	2.1
171.15022	4.6
175.03952	2.7
176.52094	1.5
179.03493	2.3
182.31131	1.8
183.11417	2.3
187.10960	1.7
196.14508	2.2
197.12938	4.8
201.12373	3.7
203.10759	1.9
208.13368	2.3
210.07721	89.7
211.07956	4.7
212.80774	1.7
214.15625	100.0
215.16008	3.6
225.16061	2.5
228.17108	5.2
241.12001	5.3
242.18738	5.8
256.20340	3.0
281.10132	1.8
282.05371	2.9
295.06027	4.9
295.13199	1.8
296.07001	2.4
297.07700	20.9
298.07874	1.7
307.06363	2.0
309.07544	2.1
312.15662	5.7
314.20938	11.5
323.05731	2.5
325.07156	6.7
328.06042	3.6
329.50906	1.7
337.07285	3.1
353.06650	37.5
354.06836	5.4
355.27084	2.8
365.06677	5.0
383.07660	24.8
384.08002	3.2
399.26053	25.3
400.26608	2.3
413.27917	1.7
425.08759	4.9
425.24084	37.8
426.24234	3.8
443.09875	31.4
443.19049	10.8
443.25232	30.5
444.10181	3.6
444.25375	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	444.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	0.5
57.03457	7.6
58.03772	0.3
59.01386	2.8
64.21420	0.2
64.98620	0.2
65.36585	0.2
71.01373	0.7
73.04070	0.6
74.02493	0.3
81.03476	0.5
85.02962	0.2
87.00932	0.2
87.05633	0.3
88.04058	0.8
89.02450	0.5
98.02488	0.5
98.22546	0.6
99.04535	7.9
100.04855	0.3
101.02453	2.2
102.44022	0.2
108.02184	7.9
114.05621	0.2
115.05061	0.2
121.02964	0.8
122.02462	0.6
123.20454	0.2
125.02468	9.0
130.08752	0.8
135.04572	0.4
138.01990	100.0
139.02368	2.9
143.03558	0.3
151.02821	1.3
152.03455	0.3
161.04616	0.4
180.03059	1.0
305.08859	1.0
414.24463	0.7
414.40192	0.2
444.11432	0.4
444.25339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22001	1.0
59.01384	2.7
61.98835	100.0
62.56932	1.1
69.75291	4.0
69.75697	2.7
70.45895	1.1
71.01385	1.3
72.61594	1.0
101.60678	1.1
123.04554	3.0
140.65031	1.2
146.03748	2.0
161.06129	3.7
161.31705	1.1
171.37074	1.2
173.24191	1.1
195.04822	8.0
354.15732	1.5
444.25070	1.9
463.00317	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	444.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82874	1.0
55.86993	0.9
59.01391	5.0
60.87513	0.8
68.10516	0.9
70.58749	1.0
71.01380	4.7
71.02499	4.7
71.32245	1.4
73.02957	1.2
73.04076	19.2
74.02470	6.5
74.99108	3.9
82.02992	2.1
82.06661	1.6
83.06159	2.9
84.04549	6.6
85.02991	1.1
85.04114	1.5
87.05637	1.7
88.04057	3.5
89.02446	1.7
96.00920	2.7
98.02492	2.7
101.02448	1.9
101.07228	3.8
102.05627	2.1
103.00410	1.2
103.05141	22.9
109.04091	6.0
112.07700	1.2
113.02457	1.2
113.03564	1.8
114.01972	1.0
115.00371	1.6
115.08780	6.5
116.07198	2.3
119.05048	1.7
120.99681	2.0
125.03529	1.5
125.07228	4.5
126.01935	1.3
127.05147	28.3
127.08806	2.7
128.03554	18.6
129.10353	17.7
130.08745	3.9
130.09735	0.9
131.04666	1.3
139.08771	1.8
140.07207	4.8
140.08209	1.7
143.11955	2.0
145.06200	59.2
146.04623	2.3
151.99379	4.9
152.07193	1.4
153.10432	1.4
154.09943	1.5
155.08275	6.3
155.11887	1.6
161.02483	1.8
161.04649	1.0
166.08701	1.4
167.01688	9.4
169.09908	1.1
169.13684	0.9
171.07855	2.9
172.10904	5.7
180.06633	1.3
181.13506	1.8
182.13010	2.0
183.15121	2.1
185.16609	1.8
186.12491	1.0
193.13515	1.7
194.11890	6.7
196.14558	29.6
197.13022	1.3
197.14764	1.1
200.14056	1.6
202.11977	1.9
211.14529	4.6
214.15608	8.1
223.07646	3.4
224.17700	2.8
228.17206	3.4
237.09302	8.0
239.15157	1.3
240.13564	3.4
242.18649	2.0
253.08710	1.7
254.18776	1.9
258.14587	2.3
267.18298	3.1
268.16687	3.5
285.19418	1.9
295.21402	13.3
298.17676	6.3
308.15070	1.0
313.22461	19.2
316.18811	1.8
352.23566	2.9
357.21582	1.5
366.16687	2.8
370.24585	8.4
382.18170	1.0
396.22769	2.3
400.22638	1.8
410.19623	1.4
414.23642	14.2
426.23636	6.5
427.22882	0.9
444.24719	100.0
445.24240	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	445.078
Annotation	Baicalin
Peak:m/z	Relative Intensity
51.72435	0.5
52.75071	0.6
55.01867	0.7
57.03458	0.8
59.01390	8.0
59.57176	0.7
67.01896	1.7
69.03458	0.6
71.01385	5.6
71.32737	0.8
72.99297	0.8
75.00870	4.1
85.02944	3.9
87.00887	1.1
89.02469	1.9
95.01398	1.8
96.00960	3.5
97.02946	1.4
99.00871	2.0
101.02448	1.1
102.05122	0.8
108.09244	0.6
109.28472	0.7
113.02464	6.5
113.03605	1.8
115.00368	1.0
130.08754	1.8
141.07100	0.8
143.05045	0.8
155.05023	0.7
169.06628	1.9
171.04533	4.7
175.02440	1.4
181.06586	1.2
183.04514	0.7
195.04510	0.7
197.06131	8.3
199.03995	1.6
200.14156	0.8
201.05621	1.0
213.05592	2.3
223.04089	0.9
225.05545	2.8
239.03522	1.0
240.04208	0.7
241.05095	3.2
268.03778	2.9
269.04575	100.0
270.04935	8.2
281.11298	1.0
286.14264	0.7
293.67133	0.7
410.17410	0.7
415.19693	1.7
427.20230	1.4
445.07666	8.5
445.20380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0785
Annotation	Baicalin
Peak:m/z	Relative Intensity
56.74561	0.9
57.03456	1.9
59.01387	6.9
61.98833	1.5
65.00327	1.4
66.82825	0.8
69.31066	4.7
69.31478	2.0
71.01389	5.5
72.99319	1.1
73.02942	1.4
75.00890	1.9
85.02962	8.7
87.00880	2.1
89.02446	1.8
91.83134	0.8
95.01405	2.5
99.00886	3.2
99.04512	1.1
101.02449	1.8
113.02462	12.9
115.00359	1.0
126.61564	0.8
127.05179	1.6
130.08786	1.2
135.04521	1.2
136.98804	2.4
139.00394	2.5
151.03946	1.2
151.05884	2.3
166.99745	1.0
167.05086	1.4
169.06630	4.1
170.61313	0.7
171.04518	1.3
175.02501	2.5
195.04759	4.6
197.06114	2.6
205.12236	0.9
213.05568	1.9
223.04039	2.8
225.05595	1.9
240.10286	1.4
241.05049	3.3
251.03481	2.2
269.04568	100.0
270.04935	6.2
284.12155	1.2
445.20441	2.1
446.24039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63488	8.6
52.83258	8.8
55.01913	9.2
59.01392	28.6
69.75706	37.3
71.01387	17.3
76.73062	10.0
99.00910	12.9
102.98600	11.4
134.03772	17.0
139.42876	12.2
147.04547	12.6
159.11839	14.3
171.11812	13.3
174.01640	18.2
175.11313	20.0
183.11922	10.4
187.11293	26.1
189.12862	36.2
203.10852	42.5
205.12463	13.0
215.10803	41.8
217.12312	28.0
231.10307	30.1
245.08241	32.1
253.04532	10.5
257.08218	9.4
263.12943	100.0
291.12473	37.4
327.21976	13.8
335.11142	21.0
355.17065	9.0
390.01093	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.36544	2.7
68.20811	2.7
69.48578	17.2
71.01385	35.4
73.02946	6.4
85.02950	12.0
89.02448	18.1
95.01416	4.1
97.02955	5.7
98.22543	5.4
101.02454	18.3
107.95676	2.5
113.02431	16.0
113.06124	2.9
119.03504	6.3
123.04543	4.7
129.61932	3.0
138.06876	6.9
139.07669	3.3
143.03401	4.4
145.43161	2.6
151.07643	11.4
152.08469	18.7
153.09203	43.3
161.04610	22.8
179.05641	4.5
205.12305	19.6
223.13382	22.6
244.86555	2.8
302.08298	3.1
385.18607	30.5
445.22299	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01707	1.4
60.01989	0.7
61.98837	7.1
69.33806	1.5
69.34215	2.8
71.01390	14.3
73.02934	0.6
74.02451	1.0
80.04241	0.6
83.05018	2.3
85.02950	1.9
87.00866	1.2
87.96251	0.6
89.02452	28.4
95.01415	1.0
96.00941	1.2
101.02460	7.9
113.02456	7.7
119.03506	11.9
131.03511	1.5
131.11053	0.6
139.05249	0.6
143.03488	2.2
149.04584	1.6
154.59210	0.7
161.04602	4.2
166.08604	0.7
174.37503	0.6
179.05629	16.0
195.04887	1.1
204.42392	0.5
268.25259	0.6
361.11435	0.6
410.19107	1.7
427.22354	0.8
448.71365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70558	1.0
57.56339	1.2
59.01386	100.0
69.06424	11.2
69.06818	3.2
71.01096	1.3
71.01398	15.7
80.44318	1.1
83.05004	2.4
85.02984	2.2
86.91800	1.2
87.00901	1.4
89.02458	32.1
101.02452	7.8
113.02474	8.1
119.03533	11.3
128.03537	1.2
130.08693	1.3
131.03539	1.2
143.03500	3.6
149.04535	2.3
151.74231	1.2
161.04558	3.8
179.05637	16.9
181.57315	1.2
341.37466	1.1
410.19354	2.0
423.34903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89072	1.7
59.01377	7.0
66.03512	1.7
69.07801	19.8
70.85500	1.6
71.01377	4.5
72.78011	1.7
73.04079	9.4
74.02509	10.6
82.02993	4.9
83.01398	3.0
83.02517	18.7
84.00923	10.5
84.04568	3.1
84.95120	2.5
87.05664	2.4
88.04060	4.3
89.02480	2.4
93.03503	2.6
96.00931	22.6
96.96056	2.2
98.02493	16.5
100.04051	2.0
102.05623	13.2
109.01759	2.1
109.02943	4.5
109.91180	1.6
110.02487	12.7
112.04063	6.7
113.03600	3.2
115.08784	40.0
116.07202	3.1
119.05050	3.4
126.78998	1.6
127.05142	4.3
128.03557	40.3
129.10356	3.3
130.08754	55.8
131.04657	2.7
132.03098	3.1
135.04527	4.3
138.09264	15.9
139.04019	4.9
139.08789	5.3
143.11943	5.2
144.07715	2.5
146.04630	13.4
154.01453	5.1
155.08249	8.7
156.06691	2.5
157.13524	2.3
161.02478	4.9
166.08736	4.0
169.09857	17.0
172.10989	2.8
179.03487	2.6
179.11949	2.2
180.05521	3.6
184.07323	2.7
187.10872	5.0
200.14015	2.3
205.09866	5.1
210.16122	2.7
211.14433	3.2
223.10942	7.5
231.13490	2.3
237.09250	9.9
253.08711	4.0
255.10326	5.7
264.89185	2.2
267.09875	100.0
267.18137	2.3
268.10260	5.4
270.10965	3.0
311.12546	11.9
316.18869	11.9
330.20401	2.0
366.16525	4.8
383.19363	61.1
384.19730	6.3
410.19324	3.2
414.55585	2.5
427.22046	25.5
428.22150	2.2
444.67776	1.9
445.17810	2.6
445.23163	42.3
446.23389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05130	1.8
53.29628	1.6
53.40638	1.8
53.68913	1.8
59.01387	53.1
61.98824	5.6
69.06213	19.2
71.01028	3.1
71.01391	37.7
71.02480	2.0
73.04086	19.1
74.02486	3.5
85.02963	4.1
88.04057	29.4
89.02452	15.3
96.00893	2.4
101.02472	7.7
103.05156	4.9
107.20360	1.8
113.02464	5.9
115.00392	39.5
115.78667	1.8
119.03513	3.6
120.01255	4.1
128.03583	3.4
129.10358	22.8
130.08749	22.1
132.03040	24.2
139.08752	5.7
140.07141	2.9
143.03523	2.7
155.08318	2.3
157.13521	3.6
161.04630	3.4
163.11314	4.6
164.09532	4.2
166.08702	2.6
169.09862	7.4
172.79970	1.8
172.90303	1.9
179.05664	5.7
181.09737	3.0
186.12477	3.9
199.18208	3.8
201.12430	3.2
205.12383	14.0
207.15099	15.0
207.56126	2.2
223.13448	7.4
224.17693	21.5
235.60539	2.2
242.18793	12.2
256.20319	5.3
270.21896	2.8
281.19858	52.9
282.20206	4.0
283.07379	2.3
299.20929	35.8
300.19504	2.7
329.22037	25.9
330.20294	44.4
331.20474	2.7
355.07333	3.7
371.23004	4.1
375.88425	2.0
385.08633	2.2
401.23669	4.5
427.22284	5.3
445.23096	100.0
446.23459	11.4
447.78723	2.3
458.53775	2.1
458.79605	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	446.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97662	0.4
57.03448	1.4
59.01391	5.9
61.98834	100.0
64.61910	0.5
69.06161	5.0
71.01379	1.3
89.02457	1.1
91.88893	0.4
99.04501	0.8
101.02471	1.2
113.02461	0.7
125.02483	0.7
137.63293	0.4
141.67111	0.4
161.04645	0.6
163.11263	0.6
176.11728	0.5
179.10985	0.5
195.47046	0.5
205.12450	1.1
205.60919	0.5
206.12724	1.7
240.41904	0.5
241.05124	0.8
351.70642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Dihydrobaicalein 7-O-glucuronide
Peak:m/z	Relative Intensity
50.89393	9.1
59.01367	18.9
69.27492	78.9
85.02992	14.5
90.13270	9.5
91.61614	9.1
95.05239	10.0
108.51811	10.2
113.02477	19.0
117.89694	9.5
124.01722	13.4
126.63713	8.1
145.03104	10.3
151.49551	8.2
243.06689	27.0
271.06137	100.0
323.76126	9.5
392.62711	9.8
413.68842	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86435	9.0
59.01385	26.5
61.98824	22.7
63.96259	11.1
65.44225	7.4
69.84207	37.7
71.01366	17.0
75.00872	12.8
79.95747	17.5
96.96029	100.0
96.97082	9.0
177.12805	11.4
205.12369	37.3
217.12344	55.1
219.13992	8.9
233.11868	16.4
247.09819	15.7
265.14465	64.1
316.77750	10.9
337.12897	12.5
447.26004	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98845	0.3
62.96393	1.2
63.50156	0.2
66.19617	0.2
70.96759	0.3
70.97091	0.4
78.95911	41.7
84.77042	0.3
92.86113	0.3
96.96976	3.3
98.56986	0.3
106.07916	0.3
136.87743	0.2
149.00102	20.0
150.00418	0.3
152.99641	0.3
158.92528	2.2
165.11046	0.3
169.95490	0.3
179.01160	2.7
205.16020	1.6
225.39819	0.3
230.42363	0.3
267.11591	0.5
285.04138	0.6
347.08203	0.8
399.85541	0.3
417.12546	1.2
431.10266	2.7
432.10733	0.4
447.13464	100.0
448.13770	9.0
472.62601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41178	2.0
59.01371	6.7
61.98834	3.8
70.10845	7.5
70.11225	4.5
71.01377	5.5
72.00926	4.5
73.04089	11.4
74.02485	33.2
78.55502	2.6
82.02998	12.2
84.00914	2.5
84.04527	4.0
85.04111	3.8
86.02483	7.0
89.02469	2.9
96.00907	2.6
97.04108	2.7
98.02522	3.0
98.22462	2.9
100.04067	3.4
101.02467	2.2
101.07227	16.9
102.05582	2.6
104.03532	15.9
104.55282	2.6
109.04063	13.4
111.01922	2.2
112.02790	3.2
112.04046	2.9
113.03601	5.7
115.00388	2.9
124.04060	16.7
125.02499	3.4
125.03568	4.0
126.09274	3.4
127.05156	78.7
127.08857	2.5
128.03572	19.9
130.08759	12.3
134.02486	5.0
135.04523	3.1
139.05179	3.0
139.08847	5.2
141.06735	19.6
143.11943	18.5
145.05049	3.5
145.06203	60.6
146.04597	3.0
151.08836	2.8
152.01118	4.1
153.06693	9.4
153.10356	5.7
154.08748	4.7
155.11940	22.2
160.04050	5.7
163.61650	2.3
165.10289	5.9
166.06256	4.6
167.04660	13.7
169.09877	16.6
177.01895	2.7
180.10281	12.3
181.09761	4.2
184.07262	5.1
185.05711	13.1
187.10875	17.0
198.08804	5.1
200.14030	5.8
212.14119	3.5
217.11929	4.2
218.91219	2.4
226.05475	2.3
236.14133	4.6
237.12477	6.2
238.92000	3.0
244.12971	3.3
254.15099	8.5
255.07301	2.7
266.91458	2.9
274.14047	2.5
280.13089	6.8
286.05582	2.8
298.14093	24.1
311.17139	3.0
316.15106	5.6
323.17258	18.1
341.18356	4.4
342.16769	5.6
345.27109	2.5
355.16217	32.4
355.20224	3.7
360.17691	6.5
373.17276	8.3
385.17279	45.2
403.18384	72.0
404.18555	7.5
417.20288	4.6
429.20099	10.8
447.11514	4.2
447.20972	100.0
448.21283	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12972	0.6
54.47695	0.6
59.01384	100.0
60.01719	0.8
61.98834	4.1
69.28709	1.9
69.29134	2.8
71.01395	5.3
73.02978	1.1
85.02962	1.5
89.02444	7.0
98.21719	0.6
101.02441	4.3
113.02495	2.0
119.03516	3.3
143.03506	0.6
161.04591	3.0
179.05663	1.9
189.12935	1.7
194.21526	0.6
207.13963	0.7
387.20102	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.4
59.01383	100.0
60.01725	1.1
61.98833	3.4
71.01387	7.3
71.80972	0.3
72.99337	0.6
74.02497	0.8
85.02965	1.1
87.00900	0.6
88.04079	1.2
89.02453	12.6
95.01407	0.4
99.04546	0.4
101.02444	3.4
113.02466	3.1
119.03502	4.4
125.02486	0.5
128.03564	1.0
131.03606	0.8
143.03555	1.5
149.04625	0.7
154.01503	1.4
159.75513	0.3
161.04535	1.8
170.09439	0.4
179.05626	5.4
236.95386	0.4
285.04208	1.0
328.19104	0.7
351.68655	0.4
387.20401	1.5
430.16406	0.4
447.09518	0.6
447.18948	0.6
447.23105	0.6
448.22922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75946	0.7
53.40086	0.6
57.03463	3.5
58.00589	0.8
59.01381	100.0
60.01701	0.8
61.98826	4.3
63.35074	0.6
68.19090	0.7
69.51293	5.2
71.01384	20.4
72.99313	1.1
73.02943	5.2
73.04080	1.1
74.02479	2.8
78.64823	0.8
83.01416	1.8
85.02955	8.0
87.00875	0.9
88.98836	1.6
89.02454	8.8
97.06600	0.9
99.00916	2.6
99.04565	2.0
101.02449	13.4
113.02461	9.2
114.05602	0.9
119.03555	3.0
125.02480	1.4
128.03624	0.6
135.04587	1.1
143.03496	1.3
150.28526	0.7
159.03032	2.4
161.04567	19.3
161.05859	1.0
179.05682	2.4
179.08177	0.7
225.14934	1.3
241.14687	0.9
267.12927	0.9
285.04245	1.1
285.13577	3.0
321.20520	0.8
327.05438	0.9
362.10547	0.8
387.20264	20.2
387.25333	1.0
388.20755	2.5
408.04446	0.8
447.23035	5.8
448.16946	0.8
448.22925	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	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.4
57.03457	5.5
58.00589	2.5
59.01385	47.3
61.98834	1.5
68.76872	0.5
69.03467	2.8
69.17212	4.9
69.61749	0.6
71.01391	100.0
72.01703	0.6
72.99325	2.9
73.02958	32.6
75.00883	2.0
81.03469	1.5
83.01397	12.1
83.05016	0.7
84.02181	1.0
85.02962	37.5
86.03300	0.8
87.00895	4.3
89.02456	39.2
90.02780	0.7
95.01402	6.6
97.02955	4.6
97.05599	0.5
99.00892	19.6
99.04546	1.0
100.01246	0.6
101.02457	59.3
102.02821	0.9
111.00932	1.2
113.02460	32.0
114.02795	0.9
115.04024	2.6
119.03515	7.1
125.02466	5.6
129.01947	1.7
131.03522	5.7
141.01129	0.7
143.03525	4.5
149.04570	8.0
159.03014	6.7
161.04581	52.6
162.04945	1.2
167.14479	0.7
175.28085	0.6
179.05598	1.5
183.13921	4.0
190.33978	0.6
191.05626	3.4
193.12378	1.6
205.03613	3.0
211.13428	55.9
212.13817	2.7
233.06693	4.3
246.14070	0.6
253.09346	5.1
293.08804	0.9
315.18152	30.6
316.18521	1.7
317.53140	0.7
398.32510	0.7
410.64490	0.6
438.79779	0.6
447.22369	73.4
448.22748	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.21383	0.3
55.01882	1.6
57.03447	1.5
58.00598	3.3
59.01381	74.1
60.01691	0.7
61.98864	0.3
69.03457	1.1
69.12317	1.9
69.12738	0.9
70.98174	0.3
71.01385	61.6
72.01722	0.6
72.07969	0.3
72.99310	4.1
73.02950	17.2
75.00871	0.9
79.56992	0.3
81.03460	0.6
83.01387	2.5
85.02954	8.6
85.03480	0.4
87.00886	2.4
87.70003	0.3
89.02449	100.0
90.02805	1.2
95.01384	2.1
97.02972	1.5
99.00885	25.4
99.04551	0.5
101.02449	40.9
102.02809	0.5
113.02457	16.5
114.02805	0.4
115.04011	1.5
119.03506	17.1
125.02466	5.3
131.03511	15.6
132.03883	0.4
137.14052	0.3
139.90791	0.3
143.03511	4.3
149.04565	47.0
150.04901	1.4
153.90260	0.3
161.04568	5.1
168.39888	0.3
179.05623	5.3
191.05624	12.4
192.05943	0.5
201.55455	0.3
211.13406	3.6
221.06633	1.7
233.06638	1.3
249.58801	0.3
251.07701	2.9
293.08865	0.6
299.91220	0.4
302.12070	0.4
304.27740	0.3
315.18204	1.7
316.18433	0.4
357.55933	0.4
447.22339	19.5
448.22925	2.2
451.73004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15219	0.5
55.10358	0.5
56.90484	0.5
59.01386	100.0
60.01715	1.1
60.54046	0.6
69.75377	1.0
69.75793	1.6
71.01387	4.9
73.04083	0.6
74.02504	0.7
76.45269	0.5
81.18799	0.5
85.02959	1.2
87.00886	0.7
88.98808	0.9
89.02454	7.5
101.02452	2.9
102.05637	1.3
113.02516	2.0
114.05582	2.8
115.08890	1.2
119.03526	3.0
124.01665	0.7
127.05176	1.6
128.03554	3.3
129.10391	0.5
145.06284	1.1
147.04625	0.6
179.05707	1.5
216.06725	0.7
271.46191	0.5
314.91443	0.6
318.15057	1.0
341.48846	0.5
403.20389	0.5
422.96393	0.5
429.18298	1.2
447.19901	3.3
448.21747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.1
61.32327	0.5
62.45970	0.5
69.93804	2.0
71.01393	6.3
73.04105	1.1
74.02499	1.2
82.75382	0.6
85.02979	0.9
88.98855	0.7
89.02447	8.5
94.03000	0.5
99.04584	0.8
101.02463	3.1
102.05624	0.7
110.02538	1.0
113.02464	2.6
113.03600	0.6
114.05624	3.0
115.08810	1.4
119.03522	3.7
127.05186	1.7
128.03571	3.8
129.10376	0.5
131.03574	0.9
145.06229	1.2
161.04637	1.2
171.07764	0.7
179.05722	2.2
186.12566	0.5
196.34320	0.5
216.06738	0.6
240.04356	1.1
285.04263	1.2
318.15179	0.8
327.17563	0.7
429.18423	0.7
447.09741	1.2
447.19888	3.2
448.22495	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	447.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09966	0.3
59.01381	0.6
60.00413	0.3
63.72991	0.3
69.16564	0.9
69.16991	2.2
72.39265	0.3
78.95914	5.8
85.02248	0.3
87.90252	0.3
90.43229	0.3
109.48682	0.3
110.98536	4.1
131.68875	0.3
152.99620	1.1
167.01183	2.4
185.02194	3.6
208.97635	1.2
225.00703	1.5
261.22150	0.6
279.23318	100.0
280.23666	9.0
311.93509	0.3
447.25357	4.8
448.25378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56042	0.3
59.01382	19.4
60.01712	2.3
61.01812	0.8
61.98833	100.0
71.01391	2.4
71.32431	0.3
71.32791	0.4
73.02934	0.5
73.04086	0.4
74.02494	0.5
83.01442	0.3
85.02959	0.7
88.04055	0.8
89.02454	3.0
90.02805	0.4
91.02908	0.4
96.00948	0.5
101.02437	1.9
102.02796	0.4
113.02479	0.8
113.03639	0.4
115.08791	0.4
119.03539	0.9
120.03844	0.4
125.02436	0.3
127.05148	0.3
128.03545	1.9
128.17113	0.3
151.79683	0.3
154.01506	1.2
161.04614	0.6
164.07254	0.5
179.05661	1.0
197.62457	0.4
214.38304	0.3
214.99704	0.3
320.16232	0.4
367.16891	0.3
401.14563	0.3
402.15421	0.5
413.15924	0.5
419.19427	0.5
448.22632	0.5
449.20154	1.6
466.05872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01378	4.0
61.98838	100.0
69.18339	5.0
71.01402	0.9
73.04085	0.7
85.02995	0.5
89.02504	0.5
99.04553	1.6
101.02464	0.9
113.02483	1.0
114.02020	0.9
125.02506	0.7
149.59383	0.5
161.04544	0.6
186.12480	0.8
219.87509	0.6
354.18793	0.6
356.34756	0.6
359.37866	0.5
370.75464	0.6
448.22128	1.8
449.22122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79162	0.5
59.01381	6.1
60.01709	0.8
61.01799	1.3
61.98833	100.0
64.34448	0.6
69.63437	3.2
70.26754	0.4
71.01392	1.4
73.02916	0.5
85.02994	0.7
89.02474	1.9
90.02791	0.8
98.22492	1.0
101.02504	1.1
113.02493	0.5
119.03606	0.5
123.93098	0.5
128.03535	1.2
142.69173	0.6
175.03812	0.5
402.14639	0.5
448.22195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.6
57.98625	0.3
59.01385	1.0
61.98837	100.0
63.77879	0.4
65.00333	0.6
69.81674	1.9
71.08842	0.3
74.17880	0.3
81.03494	0.4
83.01404	1.2
85.07133	0.4
89.31733	0.4
93.03481	0.5
95.01379	0.4
95.64279	0.4
96.30875	0.3
107.01407	0.8
117.03560	0.4
121.02995	0.5
124.01698	0.5
125.02466	15.8
126.46430	0.4
149.02509	1.8
151.00395	4.6
152.01207	0.6
153.01993	1.2
165.01970	0.7
173.06180	0.7
177.05540	0.4
178.99881	2.3
179.03540	1.3
199.04042	0.6
201.05635	0.8
215.07257	1.2
225.05722	0.5
238.52473	0.3
243.06731	1.0
259.06146	13.0
269.04584	12.6
282.62589	0.4
287.05621	10.1
421.11639	0.4
449.10922	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	44.2
60.12106	5.7
61.98835	100.0
94.82480	5.4
98.21782	11.5
125.02438	22.2
135.42953	5.7
151.00249	6.5
152.86505	5.8
236.23552	6.3
259.05984	14.8
261.55951	6.3
269.04584	18.3
287.05569	9.4
292.78656	5.8
313.33029	6.0
416.60318	6.0
449.10916	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	448.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94858	4.6
53.93951	5.2
59.01376	4.6
61.98571	6.4
61.98836	100.0
66.62373	4.6
69.30844	38.2
69.31277	7.7
111.96482	4.9
130.56372	4.9
157.06142	5.4
181.14717	5.0
322.84268	6.4
397.88083	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.57616	4.1
57.03442	14.9
59.01370	14.6
71.01379	10.9
71.40074	5.2
83.01386	10.8
89.08140	4.0
97.35869	3.6
101.02462	9.3
107.01439	4.1
113.02466	4.0
116.84261	3.5
121.02969	5.7
123.04527	3.6
125.02461	100.0
133.03065	3.8
134.03773	4.7
149.02461	10.8
151.00360	25.2
153.01930	6.1
160.84219	15.7
161.04597	4.8
177.05499	4.3
178.99895	14.1
193.05096	5.4
201.05708	4.0
243.06564	6.0
259.06100	72.7
260.06354	5.0
269.04532	67.5
270.04861	4.5
287.05615	60.3
317.16214	4.2
449.10989	47.8
449.20343	12.7
450.11295	5.0
472.36005	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	449.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	21.4
68.47977	5.8
70.83085	14.4
71.01383	35.6
73.02974	7.1
75.12074	6.1
81.62598	6.2
85.02953	13.0
89.02467	48.4
98.67908	6.3
99.00919	5.8
99.04530	10.2
101.02451	16.6
113.02469	10.7
119.05054	22.3
125.02443	24.7
135.91212	5.7
149.04535	9.6
192.64346	6.9
207.00066	6.1
209.11836	15.6
233.06651	17.5
269.13968	77.2
293.08798	66.2
324.73663	7.0
348.44473	6.1
449.12427	18.9
449.20450	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	84.3
59.01381	100.0
60.01686	1.8
61.98836	14.0
64.11942	1.3
71.01387	17.7
71.02503	2.7
71.32714	2.5
73.02933	4.1
74.02489	7.4
74.51309	1.2
75.00872	1.6
81.03473	2.6
83.01385	2.8
83.02521	2.1
85.02956	8.8
87.00881	1.5
88.04001	1.3
89.02460	11.5
92.05116	1.2
95.01411	1.4
96.00940	3.9
98.02493	1.8
99.00896	2.6
99.04525	79.5
101.02445	29.0
113.02470	7.5
113.03580	3.6
119.03477	2.7
125.02448	19.4
126.09296	1.1
127.79231	1.3
128.03551	3.7
129.06743	1.6
129.10318	1.9
130.08727	6.0
135.04480	1.5
138.09267	2.4
142.90198	1.3
143.03459	2.1
159.02936	1.7
161.04575	3.6
164.07195	1.9
169.09808	2.0
227.12755	1.6
267.09894	16.9
269.13913	2.9
287.14984	5.4
289.07071	1.6
305.16125	13.8
329.19391	2.8
347.17130	2.5
387.20374	1.3
405.17548	2.8
431.19376	6.7
449.19800	5.7
449.24167	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	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	100.0
59.01088	4.4
59.01389	87.6
69.13926	9.5
69.14353	7.8
71.01395	18.5
73.02953	8.0
81.03485	2.5
83.01408	6.5
85.02954	8.5
87.00899	2.0
88.87785	1.7
89.02467	4.9
91.13951	2.0
95.01366	1.9
99.00882	2.9
99.04532	85.5
101.02451	34.1
113.02451	9.0
119.03547	2.4
125.02463	34.8
143.03520	2.6
161.04550	6.7
194.50113	1.8
227.12880	4.9
248.97559	1.8
269.13907	1.9
287.15012	11.9
305.16162	22.9
347.17172	3.5
414.16797	3.6
449.20752	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	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	87.6
58.03777	1.5
59.01382	100.0
60.01716	1.6
61.98836	9.3
63.22834	0.9
64.74291	0.9
65.30415	0.9
67.14538	1.1
69.71581	5.3
71.01382	23.5
73.02946	6.1
81.03464	2.0
82.25158	1.0
83.01395	3.0
85.02956	10.0
85.06580	1.1
87.00877	1.6
88.04059	2.7
89.02451	10.7
93.03468	1.6
95.01434	1.8
96.00951	2.7
97.02972	1.8
98.02489	1.4
98.22534	1.2
99.00883	2.6
99.04524	77.7
100.04861	1.1
101.02441	30.0
108.04568	2.0
108.13196	0.9
113.02438	12.8
113.03615	1.1
113.09732	2.4
117.03505	2.0
118.06588	1.1
119.03508	3.4
125.02451	31.1
125.09743	6.1
130.08742	1.8
132.03085	0.9
143.03525	2.8
143.10777	8.9
147.04488	1.3
149.04497	1.0
159.03021	2.1
161.04578	11.5
162.04846	1.1
164.07097	2.0
179.05675	1.3
192.00612	1.4
193.01437	1.9
286.03616	1.1
287.05603	1.4
287.14984	1.7
305.16071	14.7
306.16364	1.9
347.17056	3.5
383.62500	1.0
389.22003	2.1
406.26868	1.9
414.16751	6.5
431.19406	1.1
449.09732	1.3
449.20343	4.4
449.25229	1.5
450.26260	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	449.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03456	53.9
58.00592	2.8
59.01387	100.0
61.98848	2.6
63.14707	1.4
71.01390	33.5
72.99308	2.4
73.02928	7.2
73.04080	3.3
83.01385	4.3
85.02956	11.0
88.04057	3.6
89.02460	15.1
89.39180	1.8
95.01411	1.9
99.00871	4.2
99.04530	48.4
99.05175	2.6
101.02457	31.9
109.34124	1.5
113.02453	10.6
115.00353	3.9
119.03512	5.9
125.02459	14.4
129.10335	2.6
132.03049	3.0
135.04501	5.3
143.03496	3.7
143.10812	2.5
149.04559	2.0
151.00362	7.0
161.04575	7.9
164.07135	1.8
186.12479	3.3
191.05502	1.8
207.13895	6.6
209.11852	16.4
225.15007	4.4
251.12790	4.5
269.13956	69.5
270.14304	3.6
287.05588	5.9
287.14917	4.9
305.16080	13.4
317.16046	5.5
333.19440	4.1
334.17767	5.2
347.17068	2.2
397.24561	1.9
405.21323	2.3
449.20264	57.5
450.20645	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	449.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.9
58.00595	1.1
59.01387	68.4
61.98846	1.8
68.85374	1.0
71.01383	5.8
71.32506	1.5
72.68762	1.1
73.02972	1.1
83.01393	2.1
83.14216	1.1
85.02979	1.5
89.02467	2.2
98.29752	1.1
99.04543	7.9
101.02470	3.7
113.02478	2.8
119.03533	1.1
125.02472	5.8
135.04546	2.0
151.00418	2.7
165.12834	1.9
192.08427	1.2
207.13969	2.4
209.11839	5.6
225.15009	5.5
227.12912	31.8
227.15097	2.0
228.13202	1.3
251.12924	1.4
269.14011	10.3
287.15048	100.0
288.15433	7.6
311.14926	1.6
329.16034	3.2
389.18552	1.3
449.20267	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	449.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43427	0.3
59.01382	0.4
61.98821	0.4
62.96406	0.4
70.06171	0.8
70.06554	1.4
78.95911	60.7
96.96973	6.4
121.89880	0.4
136.04767	0.4
150.98019	1.8
152.99605	100.0
153.99930	1.3
154.97261	0.3
171.00652	4.3
183.03383	0.4
217.00487	0.4
277.21951	0.4
295.22916	0.6
449.23138	11.7
450.23593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2314
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
53.34827	0.2
53.52979	0.2
59.01382	0.4
61.98812	0.5
62.96386	0.3
70.87527	0.5
74.56806	0.2
78.95908	81.4
96.96965	5.6
136.94261	0.2
144.87369	0.4
150.98042	1.8
152.99596	100.0
153.99930	1.1
170.22404	0.2
170.88800	0.2
171.00635	2.6
195.13948	0.4
214.65504	0.2
229.44725	0.2
241.25589	0.2
295.22726	0.7
449.23135	18.1
450.23416	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	449.2397
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01893	1.4
57.03455	26.2
58.00582	1.2
59.01385	97.1
61.98822	4.8
65.98874	1.0
70.02962	1.3
71.01392	26.3
71.33395	1.7
72.99316	1.9
73.02959	7.7
73.04084	1.5
74.02492	2.3
75.00897	1.2
83.01396	7.0
83.05032	1.4
85.02946	10.1
87.00879	2.6
87.05630	1.3
89.02468	12.5
93.03442	5.6
95.01408	1.6
96.00906	5.6
96.20676	1.1
97.02979	1.2
98.02497	3.6
99.00930	1.8
99.04532	19.5
101.02454	23.3
109.01713	2.0
110.02525	1.6
113.02478	11.3
113.03239	1.1
113.03610	1.8
114.27164	1.1
116.51766	1.0
117.03474	27.5
118.03922	1.2
119.03533	4.2
121.02976	2.0
123.04538	3.3
125.01524	2.6
125.02459	50.6
126.02847	1.8
130.08760	2.7
135.04573	1.8
143.03513	2.4
146.06143	1.2
147.04558	2.0
149.02469	13.1
151.00406	4.0
155.08330	1.5
161.02477	10.4
161.04541	7.6
162.02966	1.3
164.07213	3.5
167.03543	7.6
179.05644	1.0
187.10901	1.5
192.00652	2.8
193.01425	21.1
194.01880	1.3
210.07648	1.4
220.10858	1.2
231.15041	1.3
235.02440	1.5
269.04541	14.2
269.13980	7.7
287.05795	5.0
287.15082	1.3
305.16299	2.4
313.05804	1.7
355.06781	3.2
370.18118	1.5
378.70645	1.2
384.22586	1.5
389.21991	5.3
405.21561	2.3
414.16776	13.9
415.16876	2.0
431.19281	2.7
449.24088	100.0
450.24417	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41593	11.1
69.23048	100.0
167.80103	17.7
205.87698	13.5
281.24881	66.1
282.25223	18.0
342.12775	12.0
375.78937	13.8
402.65213	12.8
457.40286	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2759
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
53.80960	0.4
55.01873	0.7
57.03442	1.4
59.01385	10.2
60.08538	0.4
60.61520	0.3
61.98831	0.6
69.03476	0.4
69.34265	1.0
69.34689	2.0
71.01386	9.4
72.99304	0.8
73.02958	3.5
75.00861	0.6
80.36048	0.3
83.01366	1.7
85.02962	4.4
87.00867	1.3
89.02451	2.9
95.01395	0.9
97.02924	0.4
98.22520	0.5
99.00891	1.3
101.00362	0.4
101.02453	6.1
111.00871	0.5
111.73238	0.4
113.02461	2.8
113.09711	0.6
119.03521	0.8
119.50483	0.4
124.07707	2.2
125.02462	0.5
127.11285	0.9
127.59991	0.5
143.10748	0.6
150.62775	0.4
162.05595	0.6
178.05090	0.4
225.82980	0.4
241.21678	0.5
269.21271	3.2
285.20764	0.6
287.14053	6.7
287.22287	37.2
288.14429	0.6
288.22586	2.6
299.22318	0.7
301.23914	0.5
329.15054	0.8
329.23538	0.7
431.26419	1.3
449.27554	100.0
450.27905	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	449.2761
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01892	1.0
55.48911	0.2
57.03452	2.3
58.00601	0.5
59.01384	11.2
60.37590	0.2
61.98842	1.0
69.03471	0.8
71.01387	9.1
72.01720	0.2
72.99294	1.2
73.02950	3.3
75.00883	0.4
78.28712	0.2
81.03477	0.2
83.01395	2.8
85.02953	5.1
86.00126	0.5
87.00868	1.4
87.51946	0.2
89.02453	2.7
95.01403	0.8
97.02945	0.3
99.00905	1.2
99.04530	1.2
101.02455	6.6
111.00903	1.1
113.02462	3.0
113.03196	0.3
113.09735	0.8
119.03503	0.8
124.01672	0.3
125.02459	1.0
125.09695	0.4
126.76406	0.2
127.11285	1.3
135.04549	0.3
141.12892	0.3
143.10800	0.6
159.02950	0.3
161.02509	0.3
167.07239	0.2
196.80305	0.2
212.03387	0.2
214.09538	0.2
236.03223	0.2
239.20198	0.5
241.21738	0.7
253.05260	0.2
255.00911	0.2
269.21240	3.6
285.20670	0.9
287.22299	38.5
288.22607	2.8
299.22134	0.3
305.15933	0.3
320.58368	0.2
419.29999	0.4
431.26563	1.6
449.27521	100.0
450.27899	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	450.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01374	3.2
61.98839	100.0
71.32814	1.3
80.91694	1.4
85.02958	1.6
96.96025	1.4
99.04513	5.5
101.02493	1.5
125.02414	0.9
128.15469	1.1
137.02452	2.9
331.06833	1.1
353.72830	0.9
449.31281	2.9
450.31473	3.5
451.08817	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	450.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58220	0.7
61.98826	1.1
65.19094	0.6
69.12908	6.8
78.95911	20.9
89.19881	0.6
122.00180	0.8
132.89110	0.6
140.01205	5.7
152.99603	2.4
180.86090	0.7
196.03822	9.9
214.04890	2.2
253.21739	100.0
254.22063	6.4
340.84875	0.7
345.84976	0.7
450.26309	20.6
451.26718	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	450.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97750	1.0
60.44089	1.1
69.08396	8.7
78.95912	5.4
83.55322	1.0
98.22535	2.2
126.72334	1.0
127.41770	1.0
140.01151	1.9
145.39809	1.0
183.70323	1.0
187.75941	1.0
214.04857	2.2
227.58240	1.2
253.21735	100.0
254.21997	7.6
315.24207	0.9
365.97101	1.0
395.01755	1.1
450.26208	5.9
452.80179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.9
69.69701	11.5
78.95912	23.0
90.99400	2.1
98.22533	2.5
142.87671	3.2
158.73738	2.2
196.03821	6.6
209.86794	2.1
253.21733	100.0
254.22112	9.1
262.18790	2.4
278.77203	2.7
435.80450	2.4
450.26062	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	450.963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72277	0.9
56.49276	1.0
63.27943	1.0
69.75461	6.4
71.01384	1.3
71.13242	1.1
81.03466	1.6
84.20740	1.0
87.00858	1.2
90.97122	6.5
96.70531	1.1
96.96036	1.2
97.02922	2.1
99.04545	7.5
113.02478	1.2
114.13741	1.1
118.69724	1.2
122.97645	1.5
125.02457	3.1
140.98703	2.9
143.00256	3.8
143.03471	9.2
153.95061	1.3
164.93958	1.8
168.98186	2.2
170.99757	7.6
173.01305	5.6
185.98572	1.6
186.99239	1.2
196.97644	3.2
198.99255	16.8
200.97137	1.6
213.97945	3.6
224.97150	3.8
228.97099	2.1
240.93707	1.2
242.95087	2.1
244.96588	2.8
251.02364	2.1
253.03928	3.0
254.95406	1.7
267.01892	1.4
270.94354	1.2
278.98801	1.9
279.01895	2.2
280.02631	3.4
281.00412	3.5
288.97946	1.7
290.99265	1.5
292.96997	1.8
293.00467	2.4
294.98148	3.6
296.99686	3.3
299.01196	2.3
306.98438	5.1
308.96832	1.6
309.00021	8.8
310.98431	1.6
311.01898	11.7
318.98907	6.3
320.96237	2.5
322.98175	8.6
324.99762	17.2
327.00772	4.6
332.96857	3.0
334.98541	9.2
337.00024	54.1
338.00415	1.9
350.97580	11.3
352.98764	13.5
355.00217	11.5
362.98016	100.0
363.98160	5.4
366.96960	1.9
368.98584	4.1
374.11551	1.1
376.94684	1.5
378.96927	2.4
380.98236	78.0
381.98444	3.9
388.95898	4.8
394.96069	2.7
398.99210	1.8
406.96194	47.7
407.96539	2.2
424.97305	1.8
432.93936	4.1
450.94943	5.3
451.09259	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	450.9698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30565	0.7
57.84958	1.0
68.28042	0.7
69.59891	4.5
75.81448	0.7
78.75296	0.7
79.21310	0.7
99.04527	69.2
100.04855	1.7
102.94440	1.3
125.02438	2.3
141.79713	0.8
143.03511	100.0
144.03853	2.9
170.99757	1.6
173.01378	0.8
180.99109	9.5
187.02492	28.2
188.02835	1.4
198.99257	2.6
213.97958	1.3
224.97960	3.2
291.74066	0.9
306.99072	1.2
309.00504	1.1
311.02142	2.3
319.62982	0.8
325.00037	3.0
329.36819	0.8
334.98602	1.2
337.00128	9.5
362.98083	17.8
380.99338	1.1
406.97198	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1586
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
58.00584	1.8
59.01385	26.7
60.47002	1.1
69.14827	10.3
71.01385	15.3
74.15065	1.1
74.55493	1.1
77.07816	1.2
83.01143	2.7
83.05010	2.1
85.02951	4.3
86.00121	2.6
87.00890	1.8
89.02445	5.5
101.02441	2.4
105.07123	3.5
111.04550	2.0
111.68831	1.7
112.01724	1.4
113.02438	4.3
119.03506	1.8
135.11768	1.4
141.01717	4.8
151.03691	1.7
153.05374	1.3
156.14407	1.2
157.10281	2.1
161.13321	3.2
171.74294	1.2
187.11314	2.0
203.10796	7.0
205.12300	5.8
223.13368	4.9
225.09048	1.4
229.08499	4.9
243.10008	7.1
257.07932	8.1
259.09467	2.5
271.09525	100.0
272.09921	4.6
287.09018	9.6
287.12683	9.7
289.10599	2.5
305.09979	1.6
305.13553	1.4
407.16873	10.3
424.98828	1.4
451.15845	73.8
451.32883	5.3
452.16312	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	451.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44933	0.3
60.42552	0.4
61.98830	2.4
68.24934	0.4
69.38427	2.8
71.01022	0.7
71.01386	8.0
81.22479	0.4
88.53416	0.3
99.00900	0.7
99.92591	26.2
100.92628	1.1
100.93376	2.8
115.92086	100.0
116.92127	4.7
116.92866	66.2
117.92929	2.6
117.93625	0.6
118.92168	0.4
126.94899	0.8
132.92346	0.9
141.44093	0.4
142.94398	0.6
144.96043	1.0
172.95477	29.4
173.95554	1.7
237.84703	0.5
253.21730	0.5
255.23352	0.6
277.21744	2.4
285.17563	0.4
315.27292	0.5
322.77905	0.4
377.14270	1.1
393.13806	0.5
433.16895	1.0
451.18042	2.7
451.25821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08252	0.4
54.14392	0.4
57.59912	0.4
65.96803	0.4
69.40576	3.1
69.57725	0.4
72.48539	0.5
80.22681	0.4
83.30747	0.4
85.43402	0.4
92.62793	0.5
97.53294	0.4
99.92584	7.0
100.92754	0.4
100.93375	2.6
115.92090	100.0
116.92094	4.5
116.92883	7.4
117.92651	0.4
118.82568	0.4
123.70403	0.4
124.93656	0.4
132.92348	1.2
155.95245	0.7
165.97186	0.4
172.95476	2.3
185.78694	0.4
239.55904	0.4
255.23311	0.7
277.21774	0.6
440.23853	0.5
451.17728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14848	1.9
51.53122	2.2
52.36766	2.5
55.23605	2.2
56.63277	2.0
57.03452	100.0
59.01383	97.5
61.98829	8.8
69.09035	20.4
71.01395	19.2
73.02956	9.7
81.11122	2.6
83.01401	5.5
85.02956	13.4
89.02443	2.4
96.96010	6.4
99.00902	4.1
99.04527	87.8
100.04926	2.2
101.02457	42.5
113.02483	6.9
119.03521	2.2
122.49563	2.0
125.02451	23.2
135.04514	3.4
143.03485	2.8
161.04547	6.5
179.03606	3.2
199.63278	2.5
283.91547	2.2
286.90143	2.3
303.21805	6.2
306.00305	2.3
307.17630	29.2
319.30814	2.5
320.47015	2.4
349.18719	3.5
385.49042	2.2
451.21591	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	91.3
59.01385	100.0
61.98830	5.0
71.01391	27.4
71.33463	2.4
73.02940	12.2
73.04075	3.6
75.00897	2.2
83.01425	4.8
85.02957	10.4
89.02457	5.3
96.95991	2.3
99.00880	2.6
99.04527	79.6
101.02450	37.2
113.02491	10.7
125.02453	26.4
126.04617	2.0
135.04576	3.9
161.02498	2.5
161.04576	13.3
186.70546	2.1
199.13208	2.2
209.11923	2.4
227.12862	11.6
229.14470	6.5
232.58435	1.9
271.09653	6.9
307.17636	23.0
349.18802	5.5
451.15927	5.5
451.21939	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	451.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03451	100.0
58.03772	1.6
59.01382	99.8
60.01689	1.4
61.98823	4.1
69.08949	4.1
69.09365	8.3
71.01388	29.2
73.02950	9.3
81.03439	2.2
83.01384	5.4
83.05022	1.2
85.02950	11.1
87.00855	1.8
89.02441	11.7
95.01385	2.3
99.00885	4.5
99.04523	77.5
99.95650	1.2
100.04892	2.0
101.02448	47.5
102.02756	1.5
113.02463	12.6
117.09240	1.4
119.03492	2.5
125.02460	32.2
129.01942	1.3
143.03488	3.1
143.10841	1.2
159.02963	1.6
161.04573	11.7
164.07065	1.3
289.16562	6.6
307.17636	35.1
308.18005	2.1
341.06567	1.3
349.18500	4.4
432.64157	1.2
451.21805	3.9
451.28076	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	451.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82645	1.0
55.01860	1.5
57.03450	100.0
58.03783	1.9
59.01382	84.3
60.01709	1.5
61.98833	1.5
70.37123	3.5
71.01385	17.2
73.02956	7.0
81.03454	1.8
83.01395	3.0
85.02959	8.9
87.00890	1.1
87.69087	1.1
89.02459	2.0
99.00893	3.2
99.04527	74.2
100.04875	1.3
101.02452	29.7
107.45373	1.0
113.02450	7.9
119.03490	1.1
119.70450	1.2
125.02454	22.7
132.64261	1.1
134.97104	1.1
143.03499	3.6
159.03035	1.3
161.04538	5.8
303.79620	1.3
307.17615	22.1
308.17987	1.9
349.18738	4.0
451.22003	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67492	0.1
54.77351	0.1
55.18410	0.1
57.03445	0.5
58.02977	0.2
59.01387	0.5
60.69765	0.1
64.78791	0.1
64.98297	0.1
78.75449	0.1
80.05067	0.4
81.03465	8.7
83.05032	25.3
84.05350	0.2
96.40187	0.2
98.22597	0.4
99.04552	0.4
100.07691	0.2
101.02450	0.2
107.06155	0.8
108.03928	0.2
108.04555	0.9
125.02474	0.4
125.07223	3.2
126.05659	0.3
143.08292	1.6
145.02968	0.5
153.59178	0.1
156.16148	0.2
157.13455	0.2
163.04120	0.2
183.15065	0.2
207.15025	3.4
208.15358	0.2
208.99524	0.2
223.67920	0.1
224.17699	4.3
225.16092	11.6
226.16414	0.7
227.56874	0.2
242.18748	1.7
250.15607	0.4
254.30965	0.1
268.16672	0.3
275.56747	0.2
290.22314	0.3
306.21902	0.3
307.23969	0.4
309.21866	0.4
324.26566	1.8
333.22968	5.0
334.23373	0.3
339.27661	0.3
351.23962	1.1
367.27200	1.8
368.27420	0.2
385.28311	0.3
386.94513	0.2
406.30997	0.2
433.31885	5.5
434.32175	0.6
451.32907	100.0
452.33212	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.8
70.80308	0.7
78.95913	6.6
83.17947	0.4
91.61866	0.4
100.39697	0.4
104.18705	0.3
116.92757	0.4
140.01180	1.4
152.99565	1.6
190.31441	0.4
196.03848	1.1
207.56847	0.4
214.04825	2.3
255.23299	100.0
256.23639	7.9
452.27847	8.0
453.28061	0.8
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
50.85085	0.2
56.25300	0.2
62.96399	0.2
71.95641	0.2
78.95908	21.1
96.38953	0.2
96.96985	0.2
98.22536	0.3
120.21084	0.2
122.00125	0.8
140.01198	5.5
152.99588	1.9
166.02774	0.4
196.03804	9.8
202.50842	0.2
214.04848	1.9
255.23299	100.0
256.23645	7.7
283.39838	0.2
399.69022	0.2
452.27817	20.2
453.28174	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	453.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28718	0.3
59.01389	0.5
61.98833	100.0
69.12496	0.4
69.12894	2.6
84.14312	0.2
86.55936	0.2
89.02455	0.4
110.07263	0.2
113.02461	0.3
114.92207	0.3
125.02470	1.0
134.02475	0.5
135.04596	0.3
166.05127	0.6
175.01868	0.4
203.07146	0.4
209.91464	0.3
229.05005	0.3
314.08923	0.4
452.67725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05138	1.0
57.03441	3.2
59.01381	14.2
61.97437	0.9
64.46879	0.9
65.98341	1.0
66.09000	1.0
67.61862	1.1
71.01389	4.5
71.77318	0.9
74.63037	1.0
85.02953	2.7
86.64947	1.0
89.02451	4.3
99.04504	3.6
101.02444	5.3
105.07114	1.2
111.18913	1.0
113.02443	3.1
114.05615	7.1
119.03542	1.2
125.02417	2.5
129.10341	2.1
133.02985	3.0
133.06613	2.3
134.03749	1.4
135.04483	1.6
143.05077	1.8
145.02979	3.7
146.03770	7.6
148.39302	1.1
154.06181	1.1
155.04939	1.1
157.06578	2.9
158.03711	5.0
158.06081	1.0
159.04550	17.2
160.05225	3.0
161.02484	3.9
161.06085	10.2
163.04005	2.9
167.05064	1.8
173.06065	5.7
177.05525	1.0
183.04520	4.5
185.06102	24.6
186.03207	2.8
186.06427	1.4
187.04031	6.5
188.04822	8.4
189.05486	1.5
201.04048	0.9
201.05576	36.4
202.06091	3.6
203.07150	68.6
204.07445	4.4
209.12872	1.2
211.03984	2.9
212.04755	3.5
214.02661	2.2
228.04298	1.8
229.05061	100.0
230.05426	6.8
247.06113	20.5
273.04013	6.5
289.07141	5.4
291.04996	4.9
309.15826	1.5
402.04163	1.1
437.42145	1.1
453.10431	2.8
454.30466	3.1
456.43954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97996	1.9
57.03451	78.2
58.00593	2.0
59.01383	26.5
61.98830	2.6
69.03388	12.4
69.03815	6.9
71.01387	18.7
72.71542	1.7
73.02942	13.9
74.99086	3.4
79.05537	1.9
81.03465	4.3
83.01388	6.0
85.02987	2.0
87.00895	3.0
89.02475	2.1
97.06592	2.1
99.04522	52.3
100.27384	1.7
101.02448	28.5
102.98612	10.8
108.40209	1.5
110.33234	1.7
113.02443	5.8
113.06088	3.5
114.05573	3.0
115.05511	1.6
120.99686	3.5
123.04537	14.4
125.02456	32.3
125.06105	2.0
127.04275	1.9
127.05106	9.2
127.06769	1.6
130.08768	12.2
131.05026	4.2
133.06601	2.0
141.05563	4.7
143.03452	3.3
147.04533	100.0
148.04840	5.7
155.03534	1.6
161.04564	5.3
161.06085	11.6
189.05528	5.5
191.59573	1.5
243.17195	2.1
249.06311	1.8
283.04895	9.2
305.08813	4.8
343.53821	1.7
453.27222	14.0
456.09802	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	453.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28382	1.8
57.03457	82.4
59.01383	24.7
61.98836	5.1
63.67839	1.6
70.78585	1.8
71.01392	21.8
72.99300	2.3
73.02949	13.8
79.05528	2.3
81.03469	3.8
83.01399	6.4
85.02966	7.0
89.02485	1.9
96.00935	8.2
96.95993	2.7
97.06622	1.6
99.00927	2.1
99.04532	56.0
99.76835	1.8
100.04890	2.1
101.02457	32.4
103.91765	1.9
113.02466	7.2
113.06094	3.2
115.05569	2.2
115.08806	2.3
116.19820	1.8
119.03536	2.3
123.03706	1.6
123.04543	11.2
125.02464	36.0
127.05167	3.5
130.08748	8.2
131.05070	4.2
133.06619	2.0
141.05579	3.1
143.03551	3.9
147.04541	100.0
148.04924	2.5
160.01744	1.7
161.04590	7.6
161.06116	14.5
170.02248	1.9
175.04047	3.9
180.22118	1.6
189.05609	7.1
203.05684	2.3
277.12192	1.8
291.18066	3.3
305.08734	3.5
337.18103	2.2
453.27628	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	453.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35415	0.7
55.42093	0.8
57.03447	1.8
58.99606	20.0
59.01373	6.0
61.98839	6.0
70.25099	2.0
70.25496	1.6
71.01383	14.0
72.99309	0.7
73.02936	3.4
75.34154	0.7
83.01370	0.9
84.45588	0.8
85.02951	6.7
87.00881	30.3
89.02448	4.8
95.01382	1.2
96.96001	0.8
99.00894	1.4
101.02438	9.0
102.98603	100.0
103.98940	1.5
113.02461	6.2
114.05593	1.1
119.03497	0.8
120.99660	2.1
125.02444	1.2
130.08742	1.0
139.11299	9.0
143.03532	1.2
161.04578	8.6
179.05640	2.2
186.15939	0.7
203.11137	2.2
205.07069	1.1
208.16815	0.7
227.12965	0.8
249.06172	19.1
283.04938	94.6
284.05194	5.7
453.08347	1.5
453.17929	5.1
462.86829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81176	0.7
56.22036	0.7
56.70266	0.7
56.90819	0.8
69.30794	1.5
69.31191	5.8
69.41418	0.7
86.04040	0.8
99.92596	3.7
100.93388	1.7
115.92087	100.0
116.92090	4.3
116.92878	4.8
132.92397	1.1
172.95491	12.4
216.88419	0.7
234.31386	0.8
236.50438	0.8
237.10831	0.8
237.16594	0.9
319.61148	0.8
379.16006	1.7
405.17297	1.4
435.18442	1.9
453.19443	5.2
454.19687	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	453.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87724	1.2
68.36336	0.9
68.52892	0.9
71.01389	7.4
98.22649	1.3
99.92593	29.7
100.92680	1.3
100.93379	4.1
115.92088	100.0
116.92120	5.2
116.92870	66.3
117.92865	2.2
132.92375	1.5
172.95482	46.0
172.96983	2.3
173.95573	3.8
228.80984	0.9
247.57668	1.0
279.23291	3.2
395.15430	1.6
453.19455	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89315	21.1
69.22108	100.0
69.22538	86.3
70.13840	22.7
88.99953	20.1
103.99612	21.3
126.12414	21.6
141.79642	24.1
160.38452	21.0
186.47231	22.7
255.23283	69.7
386.21054	20.8
468.38351	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	454.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53712	0.9
55.01875	1.0
57.03452	1.5
57.39723	0.9
58.00589	3.5
59.01388	81.6
61.74218	0.9
61.98817	1.6
69.03455	0.9
69.50688	6.2
71.01392	58.0
72.99311	3.9
73.02956	17.6
74.02483	1.1
83.01362	2.1
85.02966	7.9
87.00878	3.1
89.02456	100.0
90.02789	0.9
95.01404	2.2
97.02961	1.8
99.00900	28.7
99.04535	1.3
101.02457	35.8
109.01691	1.0
113.02472	13.5
114.05605	5.1
115.03976	1.6
119.03522	16.6
121.53577	0.9
125.02443	3.6
130.06259	1.8
130.08678	1.3
131.03535	12.7
135.04561	1.3
142.06648	4.6
143.03494	2.4
149.04573	37.0
150.04874	1.5
160.07661	3.9
161.04579	3.4
167.08305	1.0
179.05634	3.2
187.37430	0.9
191.05653	10.7
221.06645	1.6
233.06685	1.5
251.07648	2.7
322.12988	35.7
323.13306	2.9
337.21448	1.0
392.46185	1.0
405.29346	1.0
411.23059	1.2
454.17209	81.7
454.27188	3.3
455.17545	10.6
455.24408	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.65020	3.6
121.02956	3.1
400.17914	2.0
436.72101	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77092	0.6
57.03450	45.1
59.01384	5.0
61.98832	2.0
62.91850	0.7
69.16885	3.2
69.17308	2.8
71.01380	1.8
81.03477	0.8
85.02972	0.7
87.00887	0.7
89.02454	0.9
98.22555	1.6
99.00903	1.0
99.04520	26.8
100.04885	1.0
101.02445	8.4
108.09669	0.7
122.71552	0.7
125.02446	14.2
130.08746	3.9
134.03749	96.0
135.04088	2.8
143.03485	1.1
149.06088	100.0
150.06410	4.4
161.04643	1.2
196.94145	0.8
200.65778	0.7
235.13275	1.0
279.12567	0.7
443.81299	0.9
455.32227	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40952	1.7
55.01869	4.8
57.03449	4.4
59.01385	29.1
61.98837	4.5
71.01385	44.4
71.33016	1.9
72.99314	2.5
73.02950	16.2
81.03462	1.8
83.01391	11.4
85.02961	24.6
87.00864	1.9
89.02456	6.7
89.61217	1.7
93.18604	1.9
95.01395	3.3
99.00911	9.2
99.04539	2.0
101.02448	50.2
111.00887	2.4
113.02453	18.2
119.03565	2.9
121.02964	19.1
125.02454	3.7
129.01927	1.9
143.03503	3.6
159.02992	6.4
161.04567	34.7
262.54358	1.6
299.51523	1.9
307.17651	100.0
308.17987	3.9
455.19241	33.2
456.19681	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
61.98823	4.7
66.03487	1.8
69.04740	4.2
69.05161	9.2
70.02963	4.6
71.01383	4.3
73.04070	2.1
78.95895	2.1
81.02225	2.1
82.02978	4.4
82.06622	3.4
87.05643	4.5
95.02539	1.8
96.00934	6.4
96.96024	1.7
97.04095	3.0
98.02486	3.4
98.06110	3.6
101.02425	2.0
109.01714	2.4
113.03580	12.8
113.07214	3.4
114.01961	4.6
114.05612	21.2
114.09215	1.3
115.05164	1.9
123.09292	1.4
125.02408	1.3
126.05595	1.4
128.03506	2.7
129.10335	3.5
130.06187	1.3
130.08754	39.7
130.44649	1.2
131.04628	13.6
135.04541	7.5
136.04872	4.5
138.09248	3.7
140.07193	6.2
140.10826	2.6
153.10327	1.5
155.08337	2.9
155.11871	7.3
156.06651	2.0
161.02431	1.4
165.10342	3.0
166.08739	23.4
166.12367	2.0
167.04604	3.5
181.09920	1.5
181.13487	5.8
183.11479	2.9
183.15025	28.5
199.18111	2.1
209.12970	24.1
210.07729	4.1
225.16034	1.4
227.10378	4.0
227.14021	94.9
228.14264	5.0
231.09215	1.6
235.17085	1.9
296.23334	1.5
340.18704	2.5
340.22397	18.4
358.21371	1.6
394.23508	3.3
395.19269	3.5
420.21408	29.7
421.21790	4.5
425.20468	4.1
425.70700	2.3
437.24188	16.2
438.22421	30.3
439.22766	2.0
450.79422	1.7
455.18939	3.4
455.25140	100.0
456.25775	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	455.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01514	1.8
55.86167	2.3
69.11034	10.2
69.11449	7.2
71.01405	1.7
73.99611	1.8
122.89449	3.6
125.62273	2.3
125.87336	25.7
127.87045	25.9
136.35329	1.9
136.56430	1.9
157.86319	42.8
159.86012	43.5
159.93169	1.9
160.84222	18.6
161.84335	2.2
162.83940	58.5
165.83879	2.1
191.74446	1.7
195.13898	6.8
197.89441	8.0
199.89156	9.9
223.13359	4.8
275.20111	3.4
293.21243	100.0
294.21588	6.8
298.15762	2.1
412.60638	2.3
418.04025	10.6
419.04349	7.8
420.03864	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82299	2.3
63.96228	8.1
68.99812	5.9
70.88397	2.5
70.88708	2.6
73.84866	2.5
79.95741	3.9
81.03458	11.1
91.04262	2.7
91.05545	6.4
93.03477	5.1
95.01380	16.2
95.05037	6.6
98.83175	2.7
101.25443	2.6
107.05042	15.1
108.02171	3.6
109.03007	7.2
110.43395	2.6
119.05042	17.7
121.02943	3.8
121.06606	10.5
122.03743	4.7
123.04541	2.8
133.06621	4.7
135.04533	100.0
136.04877	2.6
137.06094	34.1
138.03275	2.2
147.04562	25.2
148.05096	2.7
149.02480	2.4
150.03230	3.6
150.06883	8.4
152.99599	3.7
163.04041	8.6
165.01811	2.8
179.01755	6.3
180.02472	9.1
181.03285	4.3
182.05836	7.8
212.01418	16.1
239.75760	3.1
247.49330	2.5
261.18652	3.5
275.14673	2.7
293.15854	7.3
294.16586	29.2
309.00790	2.7
326.15594	90.9
327.15845	8.8
455.26498	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	456.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
63.37888	0.5
69.03445	0.8
69.42787	0.5
71.01393	4.0
71.31353	1.0
71.96619	0.5
78.95911	0.8
79.95756	0.6
81.03464	4.4
87.00884	0.9
88.04056	1.2
89.02479	1.9
90.97158	1.6
92.05090	1.3
96.96028	21.3
96.96973	1.0
97.02972	2.5
98.25387	0.6
99.97176	2.0
101.02475	0.8
112.85371	0.6
113.02472	0.9
115.00430	1.1
118.96646	3.6
119.03535	1.3
125.02466	100.0
126.02802	2.6
127.96657	0.6
129.10396	0.6
132.98235	2.9
133.01459	0.7
134.02496	1.5
135.04532	4.4
137.02455	0.7
141.98242	1.2
146.96138	0.9
152.03552	1.5
155.00244	0.9
156.98241	1.0
158.84354	0.6
159.01584	0.7
160.97685	0.6
164.00336	1.2
164.98822	0.8
168.98268	1.2
170.99805	1.2
179.03555	2.1
179.99802	0.8
182.99796	2.7
185.01288	2.8
186.99307	1.0
190.54008	0.6
191.00246	1.4
194.99683	1.0
197.01378	4.4
197.02943	0.8
198.99287	9.8
206.01372	1.9
207.99309	2.5
209.01332	1.3
210.99319	1.5
211.02888	1.0
213.00862	3.5
215.02385	1.1
217.00404	3.4
221.01338	2.0
222.99266	2.6
233.01329	5.0
234.99298	1.3
238.98758	4.9
241.00366	11.2
242.98314	1.2
249.00887	1.4
250.00371	27.1
251.00601	0.9
253.00166	1.2
254.98225	1.1
265.00363	5.1
266.98242	8.7
277.00336	9.1
283.01373	1.6
284.99271	0.7
292.01520	2.6
293.99362	6.3
295.01346	1.2
308.99472	0.6
314.08780	2.8
325.02454	21.8
326.02679	1.2
330.98386	0.6
341.08975	0.8
343.03458	0.9
352.03561	26.6
353.03781	2.2
369.01523	1.2
370.04587	1.9
396.02512	8.1
396.17993	1.0
397.02811	1.1
414.03705	1.5
455.98804	1.1
456.04611	8.5
457.04794	3.7
457.25290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.6
59.01379	24.3
61.98512	5.0
61.98833	100.0
69.49567	21.8
70.02961	3.5
71.01375	11.2
82.06660	3.3
85.02924	3.9
96.00906	20.0
96.95983	6.3
98.02491	32.4
99.04543	25.4
101.02455	11.3
102.05606	3.5
103.19509	3.2
113.02445	4.2
113.03598	6.4
120.01303	4.3
125.02457	9.3
128.03564	4.1
130.07784	4.7
130.08754	79.3
131.04626	6.9
166.08763	6.3
183.15022	9.6
185.16653	7.5
209.09325	4.6
209.13042	5.0
211.14514	6.4
229.15552	6.4
249.13379	5.2
250.90523	3.3
253.71153	3.0
291.14594	3.8
346.89380	3.4
355.26987	4.1
393.17712	5.3
422.23013	95.0
439.25571	20.7
456.18051	7.5
457.26825	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	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98146	0.4
57.03450	2.2
58.28620	0.5
59.01376	1.3
59.53710	0.5
61.11819	0.5
61.98834	100.0
69.10979	1.1
69.11372	4.6
71.01367	0.8
74.02480	1.2
89.02501	0.7
96.96037	0.6
98.02488	0.6
99.04521	1.1
101.02483	0.5
114.05648	0.7
115.08793	0.6
116.07181	0.7
123.04537	0.8
125.02512	0.9
129.10410	0.7
130.08751	6.0
131.09111	1.4
136.05312	0.6
136.14539	0.5
143.11949	1.6
150.06850	1.2
151.07643	1.1
165.05591	1.0
200.14055	0.7
228.17216	1.3
335.15955	0.9
336.16489	3.3
354.33350	0.5
366.17401	0.9
382.42944	0.5
456.22546	0.8
456.28503	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	456.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64169	2.7
55.42626	2.5
57.03448	4.8
59.01379	7.9
61.98859	3.1
70.02983	4.8
71.01398	14.3
71.02502	2.1
71.32086	4.3
71.32439	2.7
72.00923	6.7
72.99298	3.1
73.04077	6.0
74.02480	4.0
75.00872	21.3
82.02985	6.1
83.89255	2.5
85.04080	4.2
88.04066	16.1
93.03455	4.1
96.96040	5.0
99.02023	3.3
99.04562	3.0
100.04055	7.9
101.02478	2.5
101.07235	14.7
103.20480	3.0
107.05049	2.9
109.04075	5.7
111.05635	3.4
114.09290	2.7
115.00381	9.7
115.08789	8.1
116.07222	8.2
118.06647	4.2
119.05045	24.7
123.05704	3.7
124.04069	20.4
125.02494	3.8
127.05154	33.6
128.03532	9.2
129.10376	8.5
130.06270	2.9
130.08762	9.2
132.03033	6.8
133.05359	3.3
134.06137	12.4
139.05128	3.6
141.06682	11.7
145.06212	17.5
146.04614	5.5
147.04518	30.7
150.06882	3.3
158.09320	7.3
162.05623	10.4
164.07181	63.6
165.07503	2.8
166.06239	38.9
167.04602	4.7
174.05597	6.5
180.06766	3.5
180.10350	2.9
183.11368	2.9
184.07297	25.3
185.05711	12.6
190.05104	5.8
211.14444	2.7
222.28293	2.8
228.17235	4.8
229.09772	3.0
230.08272	18.0
231.11540	2.7
247.10971	12.3
266.11868	22.0
273.08774	13.1
279.88428	2.6
288.13620	10.3
290.11615	2.9
291.09860	22.2
323.24600	10.8
327.13416	6.8
332.12592	3.2
341.25580	10.3
342.23947	4.3
394.17773	8.9
438.16751	53.1
439.16995	7.1
456.17801	100.0
456.27802	19.5
457.17905	9.9
457.26712	28.5
471.51718	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	457.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
61.55680	0.8
71.01388	20.2
72.99301	3.9
73.04077	1.1
74.02477	1.4
87.00894	1.1
88.04045	1.5
89.02454	3.0
96.00919	1.1
96.96014	1.3
101.02463	1.8
102.05634	7.4
105.67522	0.8
115.00390	47.5
115.08794	4.1
116.07185	4.3
119.05013	3.2
124.71593	0.9
125.02487	1.1
127.05146	1.4
128.03558	22.1
129.10327	4.4
130.08754	3.9
133.01453	100.0
133.03027	4.0
134.01746	1.5
134.03697	1.7
135.04544	67.0
136.04906	2.9
143.11908	1.2
146.04666	5.1
161.02461	15.8
163.04005	2.0
179.03522	81.3
180.03839	3.7
186.12477	1.4
198.78928	0.9
227.14030	1.0
228.17409	1.1
229.15770	1.3
277.00281	1.0
288.16727	0.9
295.06775	1.3
323.07758	3.8
328.22253	5.4
341.08804	59.7
342.09332	4.7
353.03412	1.0
371.43042	1.0
414.23367	1.6
440.21594	1.2
440.49075	1.0
457.17233	1.0
457.26813	16.6
458.27094	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	457.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81337	1.1
57.61698	1.0
59.01381	83.2
60.79116	1.1
71.00320	1.4
71.00663	1.9
71.01389	1.4
90.93238	1.0
106.14651	1.1
117.00450	1.8
131.08278	8.7
133.01704	1.2
142.63206	1.1
144.99939	1.9
150.05257	2.0
157.00018	1.5
157.03609	6.6
159.01505	5.6
172.01041	6.4
172.99461	1.5
173.01178	1.2
173.03133	1.4
175.02866	1.2
175.91754	1.0
187.00996	1.8
192.02710	1.8
192.06361	1.3
194.07918	1.8
196.05807	11.4
199.00972	1.9
201.02557	100.0
202.02776	7.1
217.00244	2.0
231.08281	1.5
238.06839	39.8
239.07076	2.4
255.09489	12.9
283.02643	1.5
315.11578	1.2
317.52701	1.2
331.04251	1.3
355.08777	2.8
380.08243	6.2
397.10687	4.8
415.11685	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81285	1.2
55.14707	1.0
56.45052	1.1
57.03217	1.3
57.03460	14.2
59.01380	4.1
70.13379	4.8
71.01388	2.8
73.02923	1.4
83.58070	1.4
85.02966	1.5
88.06242	1.2
89.02390	1.1
93.16814	1.1
95.04996	2.1
98.22556	1.3
99.08163	70.1
100.08521	2.0
101.02481	2.4
123.04535	100.0
124.04848	3.2
127.07664	76.9
128.07967	1.7
129.05591	55.7
130.05919	1.1
153.05588	40.6
154.05905	2.0
159.90034	1.1
161.04584	8.8
171.06650	15.5
189.07672	2.1
217.00252	1.2
285.09833	13.0
457.17166	9.3
458.17667	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35981	2.1
55.63959	2.3
57.03455	15.5
59.01372	4.5
71.01387	6.4
71.03644	5.4
73.84433	2.2
76.10391	2.3
82.95544	2.5
99.08164	79.5
100.28323	2.6
123.03630	5.2
123.04536	100.0
125.32282	2.7
127.07664	75.0
129.05589	79.6
130.05913	3.5
130.32036	2.9
144.32137	3.0
153.05591	47.2
160.84193	3.6
161.04550	10.6
171.06613	18.4
175.77417	2.8
189.07668	6.2
217.00305	3.1
224.72929	2.4
270.99850	3.0
285.09827	11.4
393.23434	2.7
457.16943	14.7
459.69608	3.1
462.74466	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	457.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	29.8
58.00608	1.4
58.02977	2.4
58.03769	1.1
59.01385	44.7
61.98839	1.7
69.03463	2.3
69.12015	1.0
69.69787	1.2
70.84836	2.9
71.01394	33.7
72.99313	1.3
73.02964	6.7
73.04082	17.5
81.03451	3.1
83.01402	2.7
85.02960	5.1
87.05660	4.3
88.04073	1.6
89.02455	39.6
95.01385	1.3
95.05051	1.4
96.96018	4.6
97.02961	3.5
97.04086	4.4
98.02507	1.7
99.00905	5.8
99.04538	21.4
99.05109	0.8
99.08173	13.2
101.02460	15.9
113.02428	6.0
115.03996	2.3
115.05145	34.7
119.03514	2.0
123.04553	22.2
125.02469	23.5
126.06751	2.4
127.05116	1.7
127.07683	13.3
128.07970	1.2
129.05595	4.6
129.10349	2.4
130.08759	78.4
131.03552	4.3
131.09081	1.9
135.04549	1.5
135.66039	1.1
140.07172	3.5
141.05621	1.1
141.06715	1.1
143.03502	2.5
143.11884	2.0
144.07816	2.6
148.05321	19.3
149.04550	4.1
149.05641	1.4
152.03566	1.5
153.05588	8.7
153.10385	1.6
155.11897	2.3
157.13551	1.3
161.02470	2.1
161.04514	3.1
163.07632	5.1
166.08795	1.5
168.07809	4.4
168.09100	2.4
171.06682	2.9
177.63832	1.1
179.05568	1.9
180.07765	1.6
181.85391	1.0
183.11388	3.6
186.08832	2.5
186.12477	1.5
191.05629	2.3
198.08821	1.5
199.18175	11.8
213.14911	1.3
214.15610	1.4
225.16016	1.7
233.06673	11.8
238.15475	1.3
243.17206	5.1
270.19040	1.8
270.21881	25.6
271.22141	2.1
285.09909	2.0
293.08862	7.9
314.20840	2.9
327.24109	2.1
413.23978	100.0
414.24176	11.6
420.84763	1.4
439.25378	2.4
457.20728	1.1
457.26208	15.7
458.26547	1.8
469.71237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37355	0.5
59.01384	5.6
69.69608	3.2
72.00896	0.9
74.99354	1.2
83.06091	0.5
87.00868	0.6
109.43856	0.6
112.08784	1.4
120.63093	0.6
128.07164	0.7
130.08757	60.3
131.08272	20.0
131.09100	1.0
132.01488	1.3
150.04153	0.8
150.05249	1.4
154.01140	0.7
159.59245	0.5
170.07896	0.9
173.10457	3.9
179.57365	0.6
186.06232	1.5
188.07816	4.4
195.06223	1.5
196.05783	6.8
197.06105	0.9
197.07802	4.5
201.02556	6.1
204.90367	0.6
205.05952	0.7
210.07346	1.6
211.04337	0.9
212.08922	2.8
216.07219	0.8
238.06824	2.6
240.07268	0.7
241.06815	1.7
242.08881	1.6
243.08382	22.8
244.08553	1.7
252.11916	0.9
254.13588	1.2
255.09492	0.9
256.10458	0.7
261.12036	2.0
263.10013	2.4
277.11615	0.9
279.13193	1.4
281.11273	0.9
281.14667	1.3
282.12753	0.7
283.11627	0.7
283.16388	1.1
285.13074	0.8
291.13306	1.1
302.15784	6.5
303.15955	1.0
309.14209	100.0
310.14423	11.7
326.16861	75.7
327.17084	8.6
344.17950	3.6
370.15817	1.2
391.52579	0.6
457.26349	13.5
458.26584	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68036	0.5
53.33021	0.5
54.68401	0.5
55.01865	0.5
57.03447	7.9
58.02969	3.1
59.01381	7.7
61.98838	0.7
70.36842	1.8
71.01385	4.1
73.02968	1.1
73.04071	14.6
74.02489	1.1
80.05029	0.7
81.03461	0.9
83.68587	0.6
85.02946	1.1
87.05633	4.3
88.04081	0.9
89.02462	4.8
92.59114	0.5
96.00911	0.6
96.96027	0.7
97.04092	5.0
98.02480	2.0
99.00888	0.6
99.04530	5.2
99.05624	1.2
101.02419	3.0
101.07233	0.8
109.04074	0.6
110.02499	1.4
113.02439	1.0
115.05143	41.2
116.05432	0.6
116.41898	0.5
119.57149	0.7
123.04491	0.5
125.02478	3.7
126.06781	3.2
127.05158	0.6
129.10352	1.8
130.08749	77.5
131.09071	2.4
140.07216	1.5
141.10362	0.5
143.11928	1.2
144.07787	2.4
148.05318	2.1
149.04489	0.6
149.06169	0.7
152.03566	1.1
153.05453	0.6
153.10321	1.9
155.11913	2.6
157.13448	3.2
161.02518	0.8
166.08699	1.1
168.07780	4.9
168.09081	1.6
169.06122	0.6
179.03575	0.8
182.15570	0.8
183.11382	5.0
186.08824	2.1
196.14542	1.0
199.18166	10.3
200.18552	1.0
201.12529	0.6
213.14807	0.6
214.15550	1.5
225.16064	1.0
226.25529	0.6
233.06680	1.7
238.15535	1.4
243.17166	4.3
270.21878	22.8
271.22177	1.6
282.14853	0.6
293.08792	0.7
312.26532	0.6
314.20816	3.0
323.35843	0.6
327.23969	4.2
369.25006	0.9
413.24042	100.0
414.24289	10.1
439.25577	2.3
457.26486	15.0
458.26987	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.0
59.01390	6.2
61.98836	7.6
66.03453	1.3
69.12846	1.9
69.13257	6.9
70.02985	5.2
71.01363	2.7
72.00891	0.9
78.95876	0.8
81.02188	2.7
82.02979	2.3
82.06599	2.9
83.01416	0.8
84.04568	1.5
84.08180	2.1
85.02926	1.6
87.05634	4.2
89.02442	1.6
92.33827	0.8
95.02506	2.5
96.00315	1.6
96.00918	22.8
96.96022	1.2
98.02485	43.2
98.21794	2.0
99.00900	0.9
99.02814	0.9
99.04506	1.1
101.02444	1.4
101.04124	0.9
109.01668	4.4
111.01995	1.4
112.07697	1.0
112.68271	0.7
113.03589	12.4
114.01962	2.8
115.08775	23.9
116.07177	1.4
118.06641	1.1
124.07664	0.9
125.02414	0.9
125.07191	1.3
127.05134	0.9
128.03545	2.2
128.07161	1.2
129.10332	3.3
129.28880	0.8
130.08745	100.0
131.04617	11.7
131.09077	2.7
132.04819	1.2
135.04515	1.4
138.09262	10.2
139.08743	3.8
140.07155	2.9
141.06653	1.0
147.04498	3.5
147.06056	1.0
151.04060	1.0
151.07616	1.6
151.08763	1.7
152.07143	3.5
155.08209	2.2
162.95349	1.4
164.07170	6.3
164.09491	1.0
165.10345	1.7
166.08749	11.0
168.09009	1.3
169.09843	1.9
181.09808	1.3
181.13382	1.2
183.11386	1.8
183.15076	4.9
185.16562	3.0
195.07744	3.1
195.14949	1.8
197.16536	6.2
199.18153	4.6
204.09041	1.2
205.12439	1.4
209.09291	2.2
210.07718	2.4
211.14481	4.8
221.16519	1.0
222.12512	1.0
225.16071	5.6
229.15622	6.2
233.16568	2.6
235.18079	4.1
240.13589	1.7
243.17125	7.4
247.14552	1.4
261.15988	3.4
267.12952	0.8
279.17136	3.2
280.10025	1.1
295.06195	1.1
295.11292	2.6
298.24945	2.4
302.06979	0.9
309.14627	1.9
323.16125	43.6
324.16345	3.7
326.17200	1.1
334.25055	0.9
337.12296	19.4
338.12582	1.2
342.23846	1.4
367.13327	3.0
378.23816	2.9
413.27884	2.3
422.22974	97.1
423.23251	10.3
439.25635	48.4
439.30630	1.2
439.31717	2.2
440.25226	6.5
457.16913	3.9
457.26682	35.2
458.26855	3.8
471.71106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24572	0.9
56.42034	1.0
57.03450	5.6
58.02980	1.7
59.01393	6.8
61.98839	14.5
70.94759	1.8
71.01384	3.8
72.00917	2.4
74.02481	74.3
78.55408	1.0
81.03512	1.6
82.06627	3.8
83.01329	1.2
84.00961	1.4
85.03020	1.1
85.04126	1.2
87.00937	1.0
88.04044	1.4
89.02431	2.3
96.00922	1.1
96.96043	1.8
99.00891	1.2
99.04518	4.9
101.02463	3.5
103.88595	0.9
106.80578	0.9
109.01714	2.9
109.86810	1.0
112.02822	2.6
112.07716	3.4
113.02457	2.0
116.07177	1.5
117.99000	1.0
118.05125	8.7
125.02487	1.8
125.03568	1.0
126.09287	4.1
128.03569	4.8
129.10359	65.8
130.08768	8.5
130.10719	2.3
135.04549	1.2
139.08781	2.3
140.07220	2.6
143.11914	30.2
145.06221	2.1
151.07683	2.3
153.10310	2.0
164.14494	1.5
166.08777	1.4
169.09868	4.8
169.13515	4.5
187.10863	7.4
195.15099	4.1
197.16605	3.3
199.18283	1.5
208.13417	7.6
210.07864	2.7
225.16147	10.5
228.17218	3.5
234.92941	1.0
242.18770	32.9
243.19218	2.4
256.20328	22.6
257.20499	1.5
282.22009	2.1
313.13101	2.0
338.24634	2.4
356.25455	8.3
369.28784	9.1
387.72580	1.0
395.30652	2.5
413.27747	100.0
414.28098	11.9
439.25443	1.7
457.30444	41.1
458.30814	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	458.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90211	0.7
59.01388	2.2
61.98821	1.2
69.85768	3.9
71.01390	1.1
73.04055	1.0
74.02491	4.8
76.64812	0.8
78.95928	2.0
87.05624	0.9
88.04050	2.7
89.02450	2.2
96.00953	1.0
96.96034	3.7
96.96963	1.3
98.02458	0.8
99.92632	0.7
102.05614	2.3
109.02946	12.4
110.29951	0.7
112.02756	0.8
113.03541	1.3
115.08767	1.4
116.07227	1.5
116.92876	6.2
125.02456	1.5
127.05157	2.1
128.03557	10.5
129.10358	2.7
130.08742	1.2
134.02385	1.0
135.04530	1.1
136.04921	0.8
137.02458	100.0
138.02786	2.4
144.11417	2.9
145.06171	1.5
145.09836	3.0
146.04617	3.0
163.02782	3.0
164.03552	76.2
164.09650	0.8
165.03819	2.2
179.03592	1.1
187.23123	0.7
203.18239	0.8
218.08357	0.9
223.10880	0.8
228.65602	0.7
242.18831	0.9
257.19833	1.7
267.10074	1.3
279.06747	1.3
293.08972	1.2
312.15793	0.9
371.10880	0.9
402.62070	0.9
414.27344	8.8
415.19492	0.8
431.11826	2.4
440.21329	1.1
441.20288	0.9
458.13068	39.7
458.21976	4.4
459.13821	4.9
459.21317	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	458.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45421	0.4
59.01391	0.5
61.98833	100.0
84.72063	0.3
88.27631	0.4
98.22598	1.0
124.41147	0.4
130.08708	0.5
132.52722	0.4
172.46472	0.4
174.00137	0.4
229.42178	0.7
381.77313	0.4
440.25601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41421	0.9
66.03490	1.0
69.94954	4.1
70.02982	1.1
71.01379	1.8
73.04064	4.1
74.02482	5.4
81.02199	1.3
82.02988	2.9
83.75274	0.9
84.04543	0.9
87.05643	1.9
88.04052	54.3
96.00912	7.6
96.04564	19.7
96.36946	0.9
97.04142	0.9
98.02492	6.3
99.92550	1.1
101.07195	1.0
104.03549	2.4
107.47173	0.9
108.01244	0.9
108.08192	1.2
109.01726	6.5
110.27979	0.8
114.01970	3.7
115.08767	9.6
116.07202	1.4
116.92869	13.9
121.04113	1.1
122.04908	1.8
124.04045	2.4
124.07684	3.6
125.03485	0.8
125.07211	11.3
126.04391	1.2
126.05618	3.2
127.05190	4.4
127.08736	1.1
128.03543	2.9
129.10345	3.1
130.08710	1.3
134.04872	1.1
138.05620	1.7
141.10356	1.6
143.11934	2.1
144.07802	1.1
145.06174	3.7
151.08783	2.0
152.07196	16.5
152.08296	0.6
154.08714	0.9
154.09865	3.1
154.83784	0.9
155.08273	1.9
155.11841	1.8
162.04384	2.5
167.08244	0.8
169.09833	12.5
172.10930	38.5
173.11227	1.3
177.10356	1.5
179.11905	8.5
186.12474	4.6
187.10887	3.6
195.07794	4.8
196.06140	3.1
196.14568	1.7
205.09819	7.9
214.15483	1.8
223.10974	5.7
226.15427	1.2
229.70866	0.9
242.18752	1.2
267.09882	100.0
268.10202	5.4
284.91205	0.9
285.10834	4.4
369.17725	2.6
414.23489	5.5
428.25095	3.4
440.21487	55.3
441.21744	5.5
458.22498	15.9
458.27057	5.4
459.24023	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	458.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19184	9.1
69.04720	100.0
70.09715	8.3
75.43606	8.4
83.86835	9.3
84.00890	12.2
85.62316	8.8
181.39165	8.7
186.71683	8.0
213.06143	8.5
249.18587	9.2
253.21823	45.7
275.36841	10.1
410.58813	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	459.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92249	1.5
51.65144	1.3
57.02604	1.4
59.01374	6.1
67.01891	1.5
71.01383	2.5
71.30556	1.8
71.30923	3.5
72.00909	5.1
73.02578	2.7
73.02959	43.7
74.02478	5.0
78.95906	2.0
85.02961	13.3
87.00891	24.5
89.02471	1.7
99.00902	4.5
99.04507	2.0
101.02435	1.6
111.00900	56.9
112.01226	1.8
117.01961	100.0
118.05108	16.7
128.03561	2.8
129.01929	2.7
131.08235	3.4
143.03394	1.7
173.00958	2.6
173.10422	1.9
191.01997	61.3
192.02211	2.2
196.05736	2.5
203.02367	1.5
250.92810	4.4
341.11020	3.0
354.93979	4.0
409.34720	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	459.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05634	0.9
59.01379	3.5
69.35541	7.1
70.02984	4.5
71.01385	2.2
71.02502	3.1
74.02481	3.2
81.02201	4.6
82.02995	3.2
86.02467	1.2
87.05646	6.4
88.04054	1.4
93.35983	1.0
95.02528	4.6
96.00912	6.5
98.02481	13.3
101.07216	1.9
104.03475	1.3
105.69564	1.0
109.01713	4.0
110.20413	1.0
111.02000	2.4
111.03284	1.6
113.03584	42.9
114.01972	4.5
114.05647	2.2
116.07184	45.3
124.07701	9.4
125.02523	1.3
127.05136	2.9
128.03558	5.6
130.08719	2.0
131.04631	16.9
133.02965	2.2
138.09251	3.5
139.08794	1.3
140.07179	2.6
143.11943	1.4
145.06198	6.7
149.07265	1.2
150.07954	1.6
152.07195	1.8
153.05586	2.4
155.11935	1.2
166.08757	16.9
178.11145	1.6
180.10400	1.8
181.06306	1.2
185.16649	2.4
196.66542	1.2
204.09181	1.0
209.09276	1.7
210.07750	3.1
211.14546	5.6
219.15085	2.4
221.16577	7.1
222.14842	1.2
229.15555	3.8
239.17667	3.0
247.14542	4.4
265.15555	5.2
279.06665	1.3
283.16382	2.4
297.07730	1.5
309.14566	100.0
310.14920	8.2
326.17026	1.2
327.15619	27.9
328.15955	2.5
372.21262	1.1
424.17203	1.6
429.23843	1.9
441.19839	9.3
442.20236	1.4
459.25119	7.5
460.24356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88070	2.4
57.03452	100.0
58.03780	2.2
59.01088	3.7
59.01385	72.7
61.98830	2.1
62.89451	2.1
69.83464	2.1
71.01389	21.7
71.50714	2.2
73.02937	4.0
83.01402	3.4
85.02966	8.0
89.02464	4.3
99.00850	2.5
99.04527	80.1
101.02445	30.8
113.02456	8.2
125.02448	22.5
156.46283	2.5
161.04543	10.8
161.14825	2.2
201.46646	2.9
215.19716	2.3
315.18039	15.5
401.61920	2.4
427.72180	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	459.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72545	1.2
54.16629	1.4
57.14120	1.3
59.01377	9.8
59.24659	1.1
62.64363	1.4
66.56850	1.2
67.34206	1.6
70.02986	4.1
70.66322	3.5
71.01379	5.9
71.02510	13.7
73.04065	11.2
74.02473	2.3
81.02197	4.2
82.02991	3.8
82.06598	1.6
83.45662	1.4
85.02951	1.8
87.05658	2.2
89.02447	3.9
93.03464	4.2
93.15970	1.2
96.00921	18.5
97.06594	1.6
98.02486	21.0
101.02475	2.7
108.19043	1.5
109.01699	10.1
110.02489	5.7
113.03603	3.1
114.01982	3.8
117.06710	12.6
122.09715	1.5
125.09740	1.6
127.05139	5.1
128.03514	3.7
129.10379	2.3
130.08745	85.5
131.04610	1.9
131.09119	2.6
133.02942	1.6
135.04527	5.0
138.09254	21.3
139.08751	3.2
140.07166	4.3
145.06216	3.7
149.09738	1.4
152.07092	1.5
154.01471	1.5
155.08296	1.8
157.06276	1.5
159.04532	5.5
161.02391	2.9
164.09514	1.7
166.07504	2.2
166.08754	25.7
167.61397	1.4
168.09068	3.3
168.10371	2.1
169.09789	3.4
172.06346	1.3
178.11040	1.3
180.10339	7.6
186.05197	1.6
197.12862	1.8
197.16591	5.7
199.18170	4.9
204.09038	1.6
209.09309	1.9
210.07712	7.0
223.14534	3.1
225.16077	9.4
233.16600	4.0
235.18053	7.4
236.11694	1.8
243.17079	11.5
251.07115	1.8
253.08655	2.7
261.13586	2.2
261.16028	8.7
279.17078	7.0
297.07678	7.0
323.16119	100.0
324.16489	10.2
328.15070	2.1
341.17184	4.2
380.18256	28.6
381.18332	1.9
397.20837	11.8
406.19922	1.7
411.22464	3.3
424.20959	6.8
441.23535	55.7
442.23785	5.8
459.12787	6.2
459.24609	32.8
460.24942	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	459.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64732	1.7
56.98432	1.7
58.01566	1.7
59.01385	3.1
61.76493	1.9
62.35748	2.1
68.75423	2.1
69.39434	11.9
71.01393	4.2
71.02493	2.0
72.99318	1.8
73.02950	2.8
73.04081	4.2
74.02477	16.4
78.09107	1.8
82.02990	6.2
82.06634	2.3
84.00937	1.9
88.04043	2.7
91.64518	1.9
98.02518	4.2
101.07212	14.4
109.04085	5.3
113.03588	5.4
116.07191	35.8
125.03558	4.0
126.09207	2.4
127.05145	27.3
128.03554	19.1
129.10362	32.8
130.08731	10.4
131.04625	1.9
139.08804	3.0
140.07132	2.0
141.06743	5.1
145.06216	39.8
153.10341	4.1
155.08238	6.3
162.14777	2.0
169.09877	4.9
169.13438	2.9
173.09389	9.0
179.11867	4.5
180.10353	5.4
183.11412	4.6
193.13507	2.6
196.11049	2.0
197.12933	4.0
222.12595	4.7
223.10886	12.2
240.13495	4.2
241.11926	3.1
242.18790	11.0
252.17236	5.5
254.15117	6.0
280.13199	2.2
286.17719	2.6
298.14151	17.6
299.20990	3.7
309.14551	7.0
353.22137	2.8
397.20828	17.6
415.22003	100.0
416.22501	8.5
424.19370	3.6
429.19827	3.4
441.23499	6.2
459.24719	62.7
460.24890	6.5
484.32803	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	460.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18105	100.0
69.18534	58.9
128.17958	21.6
156.22633	16.7
177.66029	19.2
189.37692	17.8
209.08195	20.5
210.08401	36.6
223.09784	23.3
255.23273	72.0
294.45578	18.9
305.26163	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32170	4.0
57.01770	5.1
58.34497	4.2
59.01383	100.0
64.34820	4.1
64.85455	4.9
66.08820	4.2
70.51695	6.4
70.52027	9.9
71.01383	63.6
72.99326	6.2
77.48478	4.1
85.02965	14.8
89.02451	85.1
101.02443	32.9
113.02494	23.3
119.03504	46.1
142.22275	4.1
143.03531	9.9
149.04575	7.7
153.09210	5.5
161.04541	7.6
164.13226	5.6
179.05643	28.0
203.10741	8.8
221.11804	12.3
239.12831	5.1
268.32034	4.4
387.11353	5.2
401.18176	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09761	0.8
51.26988	0.9
58.00592	1.9
58.86611	1.1
59.01385	100.0
60.01675	1.3
61.98838	6.5
69.03465	2.4
71.01386	23.5
71.32281	1.6
72.99315	2.5
73.02940	3.9
73.04081	1.9
74.02485	1.9
83.01418	1.2
85.02961	4.7
87.00885	2.8
88.04076	1.6
89.02451	28.5
93.03454	2.8
98.02496	1.2
99.04520	1.4
101.02452	14.9
109.02964	12.2
111.36523	1.1
113.02452	12.3
113.03574	2.9
114.05638	1.9
115.08730	1.4
119.03531	12.4
119.05022	6.2
122.03692	1.5
127.05148	3.7
128.03563	8.0
129.10370	1.2
131.03534	2.0
133.02977	1.4
133.06609	1.7
135.04547	10.2
143.03549	1.1
143.27760	1.1
145.06430	1.5
149.04549	2.1
149.06068	1.0
154.06384	1.1
161.04547	3.3
161.05991	1.4
167.04645	1.9
169.09874	3.0
177.01759	1.0
179.03491	1.5
179.05650	4.8
179.10823	4.3
184.07320	1.9
186.12476	1.2
203.10864	2.2
208.20546	1.3
221.06633	2.6
221.11781	5.9
225.13670	1.8
239.07059	3.0
243.17189	1.1
255.10289	45.5
256.10684	3.0
299.09174	8.6
363.13077	1.1
401.18088	4.2
417.20276	1.3
461.16718	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	461.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03447	1.8
58.00589	2.4
59.01383	57.9
60.01718	0.7
61.98837	1.0
69.03461	1.2
69.10696	5.6
70.46680	0.5
71.01387	54.9
72.01733	0.6
72.99320	3.8
73.02953	13.9
74.02484	4.5
75.00880	1.5
81.03479	0.6
83.01392	4.9
85.02948	14.3
87.00882	4.1
89.02452	62.6
90.02795	0.9
95.01394	3.7
97.02950	2.4
98.22473	1.1
99.00887	8.4
101.02449	39.9
102.02788	0.7
103.36585	0.5
111.00884	0.7
113.02462	19.1
113.62668	0.5
115.04020	1.5
119.03515	20.1
121.43990	0.6
125.02491	3.6
129.55051	0.6
131.03539	6.9
143.03555	4.8
149.04564	12.1
152.87978	0.6
159.02968	1.1
161.04572	7.5
179.05597	8.7
191.05672	2.3
233.06715	2.7
251.07722	0.8
293.08899	1.4
329.19696	28.2
330.19928	2.0
355.08838	0.6
461.23947	100.0
462.24823	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.25129	1.2
57.03448	7.8
58.00575	2.8
59.01384	64.6
60.10652	1.2
69.19279	1.4
69.43179	9.9
69.82538	1.4
71.01385	43.5
72.99303	3.1
73.02943	3.6
75.72267	1.3
81.65946	1.4
83.01398	4.6
85.02955	6.8
87.00864	3.4
89.02450	57.3
93.03453	1.4
95.01410	1.7
96.96024	2.2
98.22535	1.7
99.04517	7.7
101.02446	26.9
113.02469	18.1
116.96237	1.6
119.03530	16.2
125.02445	4.6
131.03500	2.1
143.03500	3.5
149.04558	1.6
161.04590	6.5
165.12837	7.6
174.41380	1.9
179.05673	8.0
183.13910	100.0
184.14240	5.3
197.09773	8.8
209.11848	2.8
223.07642	1.9
227.12830	10.5
239.10765	4.3
253.09299	10.5
255.98811	1.4
263.55936	1.7
283.09814	9.6
284.10159	1.7
292.15045	1.4
301.10843	9.4
377.72308	1.5
421.20776	2.5
463.21823	58.4
464.22195	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	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92309	6.1
59.01398	27.3
71.01379	27.4
71.32063	10.0
71.55810	5.2
79.05527	56.0
83.05080	6.4
85.02997	5.3
89.02458	20.5
89.37486	4.9
95.05038	17.2
97.06607	67.3
101.02433	8.1
105.85653	6.9
113.02522	8.2
125.06097	8.7
129.61974	5.4
141.05582	94.1
144.80688	5.2
159.60606	4.6
171.64255	5.9
175.22981	6.4
223.56445	5.2
227.15129	5.4
239.12924	17.7
249.11292	9.0
283.11899	100.0
458.65985	5.7
463.18198	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29517	0.1
61.98834	100.0
64.14600	0.1
70.42838	0.3
70.43194	0.2
77.40479	0.1
97.72950	0.1
167.57111	0.1
211.13489	0.2
258.53036	0.1
301.20145	0.7
458.17380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
58.00592	1.2
59.01387	100.0
60.01720	1.4
61.98837	5.2
66.66310	0.9
69.10729	6.4
69.11132	2.1
71.01382	19.6
72.99306	0.8
73.02962	1.1
74.02470	1.6
85.02969	2.6
87.00918	1.0
89.01891	1.4
89.02449	29.0
95.01406	1.2
96.00938	1.0
99.85411	1.0
101.02461	10.1
109.99511	0.9
110.40306	0.9
113.02451	6.2
113.03566	0.9
119.03498	12.8
119.04995	0.8
128.03601	1.5
131.03520	1.7
143.03517	3.4
149.02522	1.0
149.04559	1.4
154.19650	0.8
154.58730	0.8
161.04594	3.2
165.09204	4.4
179.04185	1.0
179.05638	7.1
241.14424	1.3
257.11078	1.1
301.07248	2.0
464.22055	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	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01716	0.6
69.42059	3.9
71.01395	8.3
72.99315	0.6
73.02976	0.9
73.04133	0.8
85.02974	1.3
85.13307	0.5
87.00903	0.8
87.69144	0.6
89.02463	11.3
89.03022	0.6
101.02451	6.1
113.02470	4.5
119.03519	5.6
128.03568	0.5
129.62123	0.6
131.03575	0.6
135.04602	0.6
137.09737	0.6
140.90355	0.6
143.03523	1.3
149.04633	0.8
161.04535	2.7
170.53883	0.5
179.05717	2.4
205.12375	2.4
238.25659	0.5
241.14452	0.7
282.08615	0.5
397.77460	0.5
403.19781	6.4
403.24771	0.7
404.20209	1.1
406.88977	0.5
463.22284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18956	1.0
51.91277	1.0
59.01139	1.0
59.01384	9.1
59.03076	1.2
70.54366	3.6
71.01396	6.7
85.02934	1.8
89.02441	4.8
99.52385	1.2
101.02456	7.2
105.40534	1.1
113.02471	3.5
119.03493	2.3
121.78373	1.2
133.05191	1.2
161.04500	1.5
165.12852	16.7
167.92143	1.3
183.13908	100.0
183.42247	1.1
184.14230	5.1
209.11836	2.4
227.12889	27.4
228.13298	2.3
235.08345	1.7
253.09253	9.4
463.21878	77.3
464.22348	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03349	0.7
59.01368	3.0
69.03484	1.0
70.52129	1.6
70.52454	0.9
71.01373	2.6
71.46864	0.7
73.02943	1.5
78.31999	0.8
85.02938	1.2
89.02436	2.0
101.02450	3.4
119.03504	0.6
127.88152	0.7
165.12872	8.7
183.13902	100.0
184.14261	4.8
187.35529	0.8
209.11855	1.4
220.44435	0.7
225.98436	0.7
227.12918	9.7
235.08383	0.9
253.09300	4.4
445.21207	0.9
463.21875	48.6
464.22214	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.4
70.02453	2.0
71.01386	4.1
71.31802	2.2
71.32169	2.3
74.80114	1.7
89.02482	1.7
101.02486	3.5
111.68253	1.6
159.39420	1.8
161.04643	2.5
165.12881	15.8
183.13924	100.0
184.14243	2.4
227.12917	25.5
253.09372	5.7
274.35104	1.8
392.93127	1.9
463.21954	61.9
464.22092	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85423	1.0
52.80712	0.9
59.01392	8.2
60.06325	0.9
61.98814	1.2
62.21048	1.0
70.23804	4.0
71.01389	6.0
71.01701	0.9
73.02885	1.4
73.28780	1.1
85.02948	1.9
88.12994	1.0
89.02457	5.7
90.88541	1.1
101.02435	5.5
113.02460	2.2
113.41038	1.2
125.89257	1.1
161.04526	1.9
165.12822	8.1
183.13904	100.0
184.14226	5.7
185.73161	1.2
186.33923	1.2
209.11807	2.5
209.96046	1.0
227.12860	11.3
235.08296	1.6
253.09280	9.1
261.63693	1.0
445.20895	1.4
463.21857	52.0
464.22107	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	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.7
59.01390	3.3
61.98837	100.0
70.36271	1.3
71.01402	1.9
73.04098	0.5
74.02480	0.6
78.91900	2.2
88.04075	0.5
89.02475	0.9
99.04562	1.5
101.02469	1.9
113.02465	0.7
113.03596	0.6
119.03587	0.6
125.02469	1.5
154.52516	0.5
161.04573	0.6
188.12097	0.8
284.40012	0.6
337.05533	0.6
349.81805	0.5
389.79623	0.5
464.21930	1.5
465.28458	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	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01386	3.6
60.37694	0.4
61.98838	100.0
69.35178	2.8
71.01388	1.0
73.02973	0.5
74.02491	2.1
77.80257	0.4
88.04085	0.9
89.02477	1.6
94.40559	0.5
96.00921	0.5
99.04520	0.6
101.02470	0.6
112.71712	0.4
113.02457	0.8
119.03532	0.9
119.05102	0.5
129.10474	0.5
143.03566	1.7
143.11981	0.4
144.07843	0.5
164.07292	0.6
181.06439	0.4
300.15652	0.7
390.17563	0.5
405.21735	0.6
463.53046	0.5
464.21802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49466	3.6
51.75650	3.1
52.47546	3.3
57.03437	9.2
59.01382	73.4
61.98845	7.8
65.11445	3.4
69.39208	4.6
69.39598	24.3
71.01392	85.3
72.99303	3.9
73.02966	21.2
77.98910	3.5
83.01379	8.2
85.02943	20.7
89.02450	100.0
99.00870	30.7
99.04453	5.4
101.02446	64.2
113.02447	28.2
117.02477	4.1
120.08241	17.0
125.02431	12.1
131.03487	13.4
133.42165	3.5
134.06155	22.8
149.04567	52.0
159.02928	4.2
161.04602	20.1
164.07217	21.6
178.05116	19.0
178.28671	3.4
186.68097	3.7
191.05638	10.8
220.06123	6.7
289.16690	22.0
303.13461	7.8
340.10339	6.6
421.20819	94.3
422.20990	11.6
464.18265	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	465.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	85.3
63.10669	11.8
71.01390	60.7
85.02943	18.4
88.54111	9.8
89.02448	88.8
98.06899	13.6
101.02423	28.2
107.10279	12.9
113.02416	19.7
114.09692	11.9
119.03495	31.6
141.05640	15.6
145.00992	27.9
149.04359	28.6
153.93396	12.7
161.13383	16.0
163.02063	22.3
173.03856	10.7
179.05533	22.5
189.03508	25.3
199.69286	10.4
205.12315	50.3
207.00966	13.5
215.01508	100.0
229.00452	17.9
229.14441	81.6
233.02591	26.8
249.11328	62.3
324.15259	12.1
325.98129	11.3
390.14639	11.4
394.24893	11.9
429.17569	33.5
465.08032	28.3
481.54846	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16032	0.6
53.73072	0.7
57.95810	0.6
61.98819	0.6
63.40345	0.6
67.77993	0.8
70.83118	1.4
78.95910	80.8
96.96977	6.7
150.98004	1.6
152.99599	100.0
153.99968	1.4
158.23697	0.7
160.26541	0.6
171.00682	2.4
172.94092	0.8
195.01129	0.6
196.03094	0.7
196.64864	0.6
293.51541	0.7
296.17630	0.7
311.22382	1.4
336.44312	0.8
346.14932	0.6
458.93927	0.7
465.22580	23.1
466.23013	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
52.06608	1.0
54.33853	0.8
57.03439	1.2
58.00582	2.3
59.01382	63.2
61.98822	2.9
62.86729	0.8
63.47654	0.8
69.12615	2.9
69.13030	6.3
71.01388	46.2
72.99301	1.7
73.02952	13.2
85.02962	5.6
89.02449	100.0
90.02771	2.1
99.00891	27.6
101.02447	36.2
113.02440	6.0
118.06432	0.9
119.03529	2.5
125.02435	2.3
131.03514	15.1
134.06139	5.0
143.03520	2.4
149.04564	56.9
150.04922	1.2
161.04524	2.0
178.05084	3.7
186.52133	1.1
191.05620	15.8
200.36450	0.9
205.21596	0.9
220.06142	1.6
221.06715	2.7
251.07799	1.6
254.81882	1.1
295.75925	0.9
340.10278	1.4
395.23331	1.0
471.07919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.5
59.01385	100.0
61.98818	0.9
69.83608	2.4
71.01395	7.0
73.04106	0.8
74.75534	0.6
85.02969	1.5
89.02454	11.2
96.00943	0.8
99.04569	1.3
101.02462	4.8
113.02495	3.0
114.05703	0.9
119.03513	5.2
125.02463	1.1
139.96584	0.7
143.03583	0.9
149.04597	1.0
155.08430	0.7
161.04597	1.6
179.05655	4.4
184.57115	0.8
210.72020	0.7
213.77370	0.6
285.04092	0.7
405.21365	2.2
426.18851	0.9
430.16101	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	465.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33915	0.9
57.03458	100.0
58.03791	1.4
59.01389	91.9
61.98851	5.6
69.04147	13.7
71.01394	20.7
73.02960	7.9
73.04079	1.6
81.03441	1.6
83.01404	7.0
85.02964	9.7
87.00881	1.3
89.02482	6.7
95.01427	2.2
95.02488	1.1
98.22547	2.0
99.00900	3.9
99.04536	78.0
101.02461	36.7
113.02460	9.8
119.03521	2.1
120.18129	1.1
122.06166	1.5
125.02471	25.2
130.06325	1.5
135.04515	1.2
138.05603	1.3
143.03534	2.1
145.02980	6.5
159.03094	1.3
161.04568	6.1
172.07355	1.4
181.19020	1.3
193.17548	1.2
208.98906	1.1
217.67664	1.2
229.14494	19.1
303.13589	2.4
303.18268	1.8
321.19238	19.1
322.12961	4.1
322.19568	1.4
363.20486	2.6
364.13550	1.2
371.77155	1.3
399.22266	1.7
405.24844	1.4
465.27438	25.0
466.27466	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.5
59.01385	100.0
61.98818	0.9
69.83608	2.4
71.01395	7.0
73.04106	0.8
74.75534	0.6
85.02969	1.5
89.02454	11.2
96.00943	0.8
99.04569	1.3
101.02462	4.8
113.02495	3.0
114.05703	0.9
119.03513	5.2
125.02463	1.1
139.96584	0.7
143.03583	0.9
149.04597	1.0
155.08430	0.7
161.04597	1.6
179.05655	4.4
184.57115	0.8
210.72020	0.7
213.77370	0.6
285.04092	0.7
405.21365	2.2
426.18851	0.9
430.16101	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	465.2496
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
53.98100	0.6
54.46976	0.5
55.01883	3.1
57.03442	2.0
58.00593	1.0
59.01382	16.2
60.36890	0.6
61.98822	1.8
69.72851	3.2
71.01382	22.3
72.99284	1.4
73.02948	9.2
78.37264	0.6
83.01381	6.8
84.02184	0.6
85.02956	14.4
85.79108	0.5
86.00105	0.7
87.00872	0.9
89.02444	2.5
95.01389	2.6
98.21838	1.0
99.00896	4.0
101.02449	23.4
101.03123	1.3
103.03386	0.6
113.02458	8.3
119.03532	0.7
125.02464	0.9
129.01935	0.7
159.02939	0.9
161.04572	4.0
190.22238	0.6
205.43063	0.6
211.13358	0.7
259.17068	0.9
275.20129	0.9
287.16641	0.9
303.19672	16.7
304.19839	1.0
408.12872	0.7
447.24045	0.7
465.24948	100.0
466.25317	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	467.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01082	0.7
59.01382	10.6
61.98833	0.7
63.33958	0.4
67.05337	0.4
69.12221	2.8
69.12630	0.7
70.63283	0.4
71.01381	6.6
72.99328	0.5
80.91659	0.4
81.03464	5.4
84.95113	0.6
85.02953	1.1
89.02452	8.6
95.05024	0.4
98.22485	0.7
99.04509	2.0
101.02438	4.3
113.02436	1.8
119.03511	3.7
123.04608	0.5
123.05758	0.4
125.02455	30.1
126.02819	1.4
132.02206	1.0
133.02966	25.3
134.03688	1.2
135.04539	12.7
143.03505	1.8
143.64725	0.4
148.05292	0.5
149.04607	0.5
149.06050	1.2
161.02454	100.0
162.02805	3.5
175.03999	1.0
177.05562	0.8
179.03510	19.4
179.05606	7.4
180.03871	0.8
203.03529	3.1
221.04541	1.7
245.06680	0.6
251.05620	0.9
281.06772	1.4
305.08795	2.1
323.16962	0.7
341.08789	23.5
342.09152	1.5
458.61050	0.5
467.11563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1301
Annotation	Polycarpine
Peak:m/z	Relative Intensity
59.01376	2.6
61.25940	1.1
63.40321	1.2
69.24745	11.2
71.01389	15.7
73.04068	2.9
74.02491	6.5
88.04050	64.6
89.02491	1.2
96.00915	2.2
98.02487	1.9
98.22480	3.0
99.04473	1.5
101.29602	1.2
109.85619	1.2
111.31271	1.3
113.03588	4.2
114.01960	3.3
115.00385	20.2
118.05130	1.4
125.02450	1.8
129.10382	2.0
132.03046	60.4
132.04530	2.8
136.58829	1.3
144.04539	6.3
146.06137	59.3
147.06444	2.2
154.86349	1.4
161.02504	3.0
161.04546	1.4
162.05643	16.0
172.04053	28.8
179.08264	3.6
186.12514	2.4
189.06715	44.6
190.05156	20.9
190.06917	2.1
243.07758	4.8
261.08838	16.6
287.06833	3.5
305.07822	20.2
308.11313	1.6
351.12067	3.8
352.10391	17.0
393.17761	4.1
423.18979	4.2
449.12097	5.2
467.13095	100.0
467.20370	4.6
468.13361	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	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
58.03775	1.8
59.01385	75.9
59.45647	1.2
60.01735	1.3
61.98837	46.1
69.03459	1.1
69.46916	9.2
70.11260	1.0
70.23448	1.3
71.01392	19.2
72.99333	1.5
73.02969	5.8
81.03474	2.1
83.01393	3.9
84.02171	1.9
85.02962	10.7
87.00873	1.8
89.02438	2.6
93.03477	1.4
97.02982	1.2
99.00886	2.4
99.04532	84.7
100.04883	1.5
101.02452	33.5
101.92696	1.4
113.02468	7.6
120.74442	1.4
125.02470	24.0
130.68741	1.1
135.04553	13.0
141.80069	1.2
143.03519	2.2
159.03049	1.5
161.02513	1.7
161.04530	7.2
205.12308	1.6
223.13382	2.6
323.17197	17.7
324.17358	1.6
380.22736	1.8
467.22443	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	467.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54286	1.5
55.01873	1.8
57.03458	96.5
58.03801	1.9
59.01386	100.0
60.01697	1.6
61.98841	9.3
69.03073	13.1
69.03491	4.6
71.01389	36.7
72.99313	2.4
73.02959	11.6
75.00908	1.8
81.03479	3.7
83.01417	7.5
83.05044	2.2
85.02958	17.0
87.00886	1.6
89.02457	19.7
98.21815	3.3
99.00903	5.9
99.04535	76.0
100.04900	1.7
101.02456	45.4
101.03117	2.7
111.00935	2.5
113.02455	14.5
119.03532	7.0
125.02469	37.6
125.03328	1.2
127.05177	1.7
128.03563	2.3
129.09227	7.8
135.04562	2.0
143.03542	4.8
161.02539	3.4
161.04579	14.7
161.11861	8.5
164.07176	4.7
169.66382	1.5
179.05617	3.7
267.12537	2.0
270.14407	1.8
305.16052	26.3
323.17154	65.1
324.17389	3.8
365.18335	10.3
449.89807	1.7
467.21552	8.4
468.31033	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	468.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04083	0.6
54.54149	0.6
54.62297	0.5
57.03457	2.6
57.08063	0.6
59.01392	1.7
61.98838	100.0
63.59565	0.5
71.01398	1.9
71.32943	0.8
73.02934	0.7
89.02456	1.5
91.21263	0.5
98.18562	0.6
98.41109	0.6
99.04539	1.9
101.02480	1.2
113.02410	0.6
125.02493	0.8
130.08751	0.7
136.93303	0.7
148.05339	1.7
163.07614	3.0
326.96222	0.7
405.21283	1.2
468.17932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86453	6.3
55.01893	9.4
57.03460	9.2
59.01365	25.0
61.98838	58.8
69.07594	10.3
69.07934	71.3
71.01392	15.6
72.98891	6.1
85.02953	9.2
93.03463	5.8
99.00868	10.4
99.04520	35.3
101.02445	9.2
107.04984	8.3
111.00909	6.9
113.06094	21.9
124.01712	12.3
125.02528	13.2
130.08737	15.4
147.08173	29.9
204.12778	6.8
205.08736	8.7
215.14395	14.2
217.16003	100.0
218.16376	7.9
261.15009	63.0
263.13959	6.2
263.16476	40.6
279.16028	13.1
293.17493	21.5
305.14108	35.7
341.57715	7.0
381.15433	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27102	0.8
56.98045	4.4
57.03184	1.7
57.03453	31.2
59.01387	19.7
61.98838	1.6
63.82548	1.0
71.01379	10.8
71.32973	1.1
72.69630	0.8
72.99278	1.7
73.02956	5.9
74.02486	1.2
74.99100	19.4
75.00869	9.4
79.05535	0.9
81.03457	1.6
82.95387	1.2
83.01394	2.6
85.02949	3.1
87.00891	3.1
88.32425	0.9
89.02449	10.1
93.03477	1.6
95.01402	1.4
99.04527	20.0
101.02447	15.0
113.02472	7.2
113.06097	1.5
114.05638	1.4
117.03479	18.8
118.98052	1.5
119.03531	3.8
119.05030	25.9
123.04517	4.9
125.02460	9.3
127.05099	1.9
128.03633	2.1
130.08749	3.8
131.03510	1.3
132.05823	1.7
133.06581	3.9
135.04559	1.6
140.07210	1.2
141.05646	1.6
143.03506	3.4
145.02960	100.0
146.03293	3.3
155.87685	0.9
159.04544	1.6
159.07076	1.0
161.04562	22.5
161.06070	6.8
163.04015	38.0
164.04404	1.3
164.07198	1.3
170.03548	1.0
177.05582	3.3
179.05594	6.2
187.04027	5.4
203.05653	1.2
205.05023	9.2
233.06706	2.0
237.04474	5.3
237.06413	0.9
237.55013	1.1
263.07721	8.7
281.03308	1.9
296.48105	1.1
299.04391	3.9
323.09845	25.0
323.16095	2.8
324.10257	1.5
325.09280	14.8
326.09540	1.4
354.20251	2.0
367.10339	11.2
407.13333	2.0
425.18372	1.7
469.12729	1.1
469.22830	1.7
470.29819	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	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	28.4
58.00576	0.6
59.01088	1.1
59.01381	18.7
71.01385	11.9
71.32745	0.6
73.02950	5.2
83.01394	2.8
85.02952	2.5
88.04053	0.9
89.01958	0.8
89.02455	8.7
93.03441	1.1
97.02954	0.8
97.06629	0.8
98.28629	0.5
99.04523	17.5
101.02457	14.6
101.07214	1.2
106.65800	0.7
113.02454	5.8
113.06142	1.3
114.05634	3.4
115.00363	1.0
116.59171	0.6
117.03468	17.3
119.03517	2.8
119.05035	21.6
120.05369	1.2
121.02934	1.4
123.04532	5.8
124.96848	0.6
125.02463	8.1
127.05145	2.6
130.08699	3.8
132.03038	0.8
132.05801	0.6
133.06575	3.8
135.46248	0.6
140.07111	0.6
141.05603	0.9
143.03505	2.0
144.07816	0.9
145.02965	100.0
145.06094	4.4
146.03300	4.4
147.04498	0.7
149.04567	0.7
159.04489	1.6
161.04576	20.6
161.06082	6.1
163.04016	29.2
164.04309	1.1
166.73045	0.6
177.05562	1.8
179.05634	6.3
180.10315	1.9
187.04028	4.7
203.05623	1.3
205.05061	7.2
221.06754	1.1
223.06223	0.6
223.10759	0.8
233.06674	1.9
235.06172	1.2
241.11951	0.7
263.07733	9.1
264.52774	0.7
265.07059	0.7
291.97116	0.6
305.08759	2.3
307.17548	2.1
323.09857	25.7
324.10138	1.4
325.05600	0.7
325.09283	18.2
326.09677	0.9
353.22308	0.8
354.20554	2.1
367.10312	10.8
368.10727	0.7
407.13528	2.8
469.13333	1.6
469.22189	2.3
469.26935	3.4
470.30045	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	469.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.2
57.03445	4.3
61.30075	2.8
61.98832	14.5
71.23765	2.9
81.03459	5.5
83.05023	7.7
88.76518	3.4
98.00084	5.4
99.00869	11.5
99.04526	27.4
107.05029	8.7
109.06615	6.6
111.95770	3.5
113.06111	16.3
121.06654	3.5
124.01693	19.7
125.02465	10.0
147.08168	26.8
161.09732	5.2
163.11275	11.2
188.64217	3.1
199.14841	3.5
205.08694	6.3
215.14359	6.7
217.15970	100.0
218.16379	5.4
225.34839	3.4
229.39290	4.5
236.07072	4.0
243.13974	4.0
249.18442	3.6
261.14948	57.1
262.15311	3.9
273.95609	3.1
279.16040	10.5
287.13028	3.6
293.17529	22.0
305.13950	41.8
349.12842	6.7
381.15524	11.9
433.99298	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	469.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11590	1.0
54.15023	0.9
61.98810	1.0
69.48869	3.3
69.49295	3.4
70.60901	0.9
81.03456	15.1
82.95415	4.4
83.05032	45.0
98.21832	1.3
100.07690	7.4
128.03568	1.3
175.02859	1.2
199.18137	6.1
224.17711	3.7
225.16072	5.4
243.17163	20.9
353.21011	4.7
469.33972	100.0
470.34399	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	469.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98091	53.2
56.23600	47.4
64.05099	49.3
64.87370	44.4
71.33226	72.7
75.98212	42.7
79.33965	47.3
99.41799	46.7
109.80304	56.9
152.28908	50.6
220.10611	48.9
469.33261	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.9
59.01375	19.1
61.98834	100.0
71.01371	4.2
83.01382	1.6
85.02927	2.2
89.02454	1.9
94.04768	1.5
96.00931	9.7
96.96036	3.4
98.02489	2.9
98.22641	3.6
99.04527	22.5
101.02449	8.0
109.01647	1.8
110.77915	1.6
113.03555	3.3
115.08779	3.1
118.50874	1.4
119.05058	2.3
123.04507	1.4
125.02460	9.1
130.08746	3.2
151.08820	3.5
152.07178	2.0
153.06653	1.8
161.04604	1.6
163.04019	2.0
167.10919	1.7
180.45071	1.5
195.07736	4.5
209.09308	2.2
229.62941	1.6
233.93352	1.8
263.15018	4.3
270.68225	1.5
280.24057	1.5
294.61542	1.4
337.17590	2.0
407.19223	6.8
421.24442	1.7
436.24518	19.4
453.27240	18.1
469.34387	1.9
470.34268	4.7
471.26331	9.2
489.36118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
58.02976	2.9
59.01372	3.0
61.98814	2.5
66.03471	0.9
71.01375	2.3
74.02477	25.6
75.02795	0.7
82.02979	0.5
82.06614	1.3
85.02969	1.1
85.04018	0.5
87.05125	0.8
87.05638	16.4
88.04042	2.1
89.02432	1.3
96.00890	0.9
96.95995	1.2
99.04498	2.3
101.02428	1.4
101.07178	1.4
108.02135	0.8
111.05640	1.1
112.02802	1.5
112.04047	1.2
113.02473	0.6
113.07214	0.6
114.05589	1.1
115.08782	3.9
116.07176	4.2
117.03441	0.6
119.03416	0.7
123.05662	0.6
124.04024	1.7
125.02482	0.8
125.03506	1.0
125.07214	2.0
126.09215	2.2
127.05119	1.6
128.03583	2.6
129.06709	6.2
129.10298	2.1
130.08748	4.9
135.04472	0.6
138.01947	2.4
139.08759	2.1
140.07164	3.2
140.08275	11.8
141.06671	1.2
141.10298	1.6
143.11905	17.1
145.02930	2.6
145.06186	1.7
146.03311	0.8
147.04486	2.3
153.10320	1.3
155.08304	0.8
158.09344	16.0
161.02414	0.9
161.04631	0.8
163.04008	0.8
168.11417	1.5
169.09816	4.9
179.05678	0.6
182.09343	21.1
183.09695	0.9
183.15041	1.3
185.16539	1.5
186.12462	1.8
187.10899	5.4
194.11864	0.8
196.14571	0.7
200.10410	23.7
200.14043	1.8
201.10602	0.8
207.15123	0.6
211.14494	2.5
212.13899	0.7
214.15541	1.5
239.15123	1.3
241.11815	1.6
242.18752	17.9
268.16580	1.4
286.17584	0.7
291.21793	0.7
313.18958	0.7
313.22412	8.2
337.83707	0.6
341.25290	1.0
343.93219	0.6
357.21561	1.1
384.26178	2.7
395.22958	0.9
426.27051	1.6
428.24673	0.7
439.99936	0.6
453.27155	1.6
470.26077	100.0
471.26843	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	470.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82791	1.0
57.03454	2.0
58.02958	1.1
59.01384	4.7
61.98835	5.5
66.03461	1.1
69.88380	0.9
71.01368	2.4
71.02486	1.2
71.33293	1.6
73.04073	23.9
74.02477	33.7
82.06625	1.3
87.05637	2.0
93.34583	1.0
96.95998	1.0
98.02460	1.1
99.04516	2.4
101.02468	1.2
101.79316	1.1
109.01669	2.7
112.02755	1.2
114.05620	48.2
115.05951	1.3
115.07776	1.2
115.08776	1.1
116.05058	1.2
125.02404	1.5
126.09215	2.8
127.05122	1.2
128.03531	4.1
129.10347	19.1
130.06271	1.4
130.08763	9.6
139.08804	4.6
140.07169	4.1
141.10350	3.4
142.06607	6.4
143.11897	15.2
145.02977	1.2
151.08815	1.5
152.07199	1.5
153.10324	1.5
154.06647	1.2
165.05501	1.0
166.08662	1.3
168.11427	1.6
169.09865	7.4
171.10287	1.9
180.06853	2.3
182.12991	8.1
186.12489	34.2
186.14188	1.9
187.10876	4.5
187.12694	1.6
195.11414	0.9
195.14906	1.5
197.16606	1.5
199.18167	1.2
200.14157	1.7
208.13458	1.2
210.07686	1.4
225.16124	2.5
226.12016	4.7
237.13980	1.9
238.19197	1.4
240.17224	2.6
242.18741	2.7
247.17055	1.5
256.20331	18.3
265.18079	3.5
278.18613	1.0
281.12976	20.2
281.19958	1.3
291.16049	1.4
297.19324	3.1
312.26392	1.1
313.22458	2.4
351.27942	1.0
355.17810	5.7
383.20813	2.3
426.30853	2.7
453.27240	2.1
470.23984	10.4
470.29855	100.0
471.24319	3.5
471.30087	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	471.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06607	0.3
59.01386	0.9
61.98828	0.3
65.83220	0.3
68.03405	0.3
70.02975	0.7
71.01029	0.6
71.01388	7.9
71.31915	0.4
71.32310	0.5
73.04076	0.6
74.02477	1.1
82.02977	0.5
87.05633	0.9
88.04062	0.9
89.02466	0.4
93.03487	0.6
95.02470	0.4
96.00931	1.0
96.96018	0.4
98.02487	0.7
101.02477	0.5
109.01719	0.5
111.00892	0.4
113.03599	1.7
114.05612	0.9
115.00381	6.3
115.08741	0.4
121.02959	1.2
125.02437	0.6
127.05137	1.3
127.08801	0.5
128.03560	3.1
129.10310	0.6
130.08742	1.5
131.04636	0.3
133.02963	1.4
134.03755	36.3
135.04083	0.8
137.02472	6.8
138.02840	0.4
139.04019	2.5
143.11899	0.6
145.05092	0.4
149.02518	0.4
149.06091	14.0
150.03261	0.6
150.06474	0.4
165.10374	0.4
171.07774	0.8
177.01939	0.7
178.02734	28.5
179.03082	1.3
186.12408	0.6
193.05072	100.0
194.05400	5.4
200.14091	0.4
211.07616	0.9
214.77660	0.3
225.08769	0.7
225.13606	0.4
226.12134	0.4
227.14064	0.9
249.07715	0.4
338.17249	0.9
339.15710	0.7
355.10373	10.6
356.10846	1.2
427.23889	0.8
428.25229	0.8
453.20230	0.7
454.23499	0.5
470.26733	0.3
471.19559	0.4
471.26590	2.6
472.23566	0.9
472.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27829	3.7
57.03446	4.9
59.01389	21.4
61.98816	8.9
69.29383	28.6
70.02964	5.1
71.01388	11.2
73.04047	5.6
74.02471	5.3
87.05676	4.7
87.12115	3.5
88.04071	4.9
89.02456	6.4
93.07098	9.5
96.00913	20.7
98.02484	41.0
98.22459	7.4
101.02450	5.2
109.01689	9.8
113.03594	15.1
114.01919	5.9
114.05604	8.1
119.03490	5.0
121.06561	4.5
124.04049	4.4
125.02383	4.6
127.05124	7.5
129.10356	17.8
130.08743	100.0
130.09689	6.1
131.04623	15.5
135.04536	7.3
137.06035	5.8
138.09251	4.7
139.08769	8.3
142.70016	3.6
145.72032	3.7
148.04037	5.2
155.08450	3.6
161.02467	17.2
166.05043	4.6
166.08725	10.2
171.10306	42.8
183.40518	4.3
185.11868	8.2
197.16628	15.0
199.18228	14.3
200.18318	4.3
209.09274	5.5
210.07709	5.1
225.16055	9.2
226.15623	6.5
228.84190	4.0
242.18811	5.4
243.17114	15.2
244.13060	4.2
247.17029	22.7
265.18076	60.8
266.18472	5.3
291.16034	20.4
309.16998	20.1
323.07712	10.5
323.16113	15.9
365.20016	4.8
383.20508	41.5
392.25525	6.6
409.18274	4.4
427.19760	6.6
436.24487	94.7
437.24756	11.1
453.27261	24.3
454.26425	4.0
471.18411	7.9
471.28500	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09958	1.8
55.74183	1.6
57.03450	10.7
59.01386	21.5
61.98813	3.6
69.03461	1.7
71.01379	6.8
71.32394	1.9
71.32850	2.2
73.02955	3.1
73.04085	5.6
74.02474	5.7
82.02988	3.6
83.01395	5.4
89.02435	5.5
91.04015	4.8
93.07111	12.7
96.00909	10.8
97.06618	2.2
98.02488	3.6
99.04528	7.8
101.02452	6.5
107.05073	2.4
109.01711	33.1
113.03573	2.8
114.05618	15.5
115.05967	1.9
121.06612	6.5
123.08169	1.9
125.02457	6.5
125.09744	9.3
127.05183	2.6
127.11304	2.0
128.00642	2.0
128.03571	16.1
129.10358	15.1
130.08755	17.5
137.06078	10.5
148.56828	2.0
155.08409	1.9
161.02374	2.0
161.04579	3.5
165.09244	2.5
166.08774	8.4
169.09792	3.9
171.10306	76.9
183.11403	1.6
185.11833	10.4
186.12509	4.4
197.13078	2.0
197.16606	2.2
198.96840	2.2
200.01472	1.6
203.18188	4.3
209.11960	2.0
210.07745	32.9
225.16081	2.9
229.16008	4.7
241.11943	5.0
242.18784	36.6
243.19353	2.6
243.49893	1.8
247.17055	42.6
248.17337	4.4
265.18121	100.0
266.18390	6.4
267.12469	2.1
273.14911	4.8
291.16083	27.9
292.16412	2.9
309.17108	36.3
310.17398	3.7
323.16135	6.4
356.18100	3.3
365.19769	4.4
383.20801	70.4
384.21103	7.9
391.17413	2.3
409.18866	11.1
427.19830	12.6
428.20184	2.5
436.24628	6.2
453.27551	19.4
471.18469	8.5
471.24677	9.5
471.29706	12.3
472.25479	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	471.2391
Annotation	Lucidenic acid K
Peak:m/z	Relative Intensity
50.25799	1.0
61.98810	1.1
78.67982	1.0
107.05018	0.9
109.02969	1.0
117.03437	1.0
126.41430	1.0
133.02972	23.9
134.03773	5.6
134.04614	1.0
135.04538	35.5
137.02467	4.3
139.04018	1.3
139.90498	0.9
161.02458	100.0
162.02840	4.8
162.83907	1.3
179.03510	14.4
291.19687	2.6
309.20761	5.3
317.64032	1.1
331.19016	1.7
373.81854	1.0
375.72903	1.1
407.33035	1.4
453.23062	4.3
453.33572	5.1
471.23981	25.7
471.34506	9.6
472.24228	2.5
472.34753	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	471.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.1
69.37959	21.4
79.11578	3.9
88.54427	3.5
96.96007	4.1
98.22483	8.0
113.02485	7.3
184.03886	3.8
194.63635	4.2
291.19800	27.2
309.20737	100.0
444.74106	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	471.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60799	0.7
54.42300	0.7
59.01280	1.2
61.98748	0.7
65.04904	0.6
69.05939	6.9
69.85897	0.6
70.02843	2.5
70.03255	1.5
71.01282	0.9
81.02100	1.3
82.02874	0.8
84.08089	1.4
87.05497	2.7
95.02407	1.4
96.00768	15.1
96.01431	2.2
98.02330	25.3
98.03041	3.3
98.21686	1.4
109.01546	1.9
111.01875	1.3
112.07607	0.6
113.03411	9.1
114.01836	2.0
114.05396	0.7
116.03479	0.8
129.10161	1.9
130.08565	71.4
130.10132	1.8
131.04457	9.7
131.08919	1.9
136.21335	0.6
138.09143	1.6
139.08681	1.4
140.07008	1.6
143.11835	0.8
151.07176	0.7
155.08159	1.5
165.10190	1.8
166.07472	1.2
166.08585	4.1
168.08878	1.6
171.19006	0.7
183.11227	1.8
191.97139	0.6
197.16614	10.7
198.39621	0.6
199.18216	5.7
209.09251	3.6
210.07434	0.8
223.14290	2.3
225.16112	4.8
227.10320	1.0
243.17107	10.4
271.06018	1.9
272.06735	0.8
312.26541	1.4
323.16068	1.1
356.25537	1.5
392.25549	3.6
436.24579	100.0
437.24890	10.5
453.27209	17.0
454.25665	5.4
471.28345	28.4
472.28607	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	471.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.2
57.73327	1.2
59.01384	11.7
61.98843	5.8
63.06519	1.1
69.04947	12.8
70.02983	4.5
71.01393	4.5
72.71343	1.4
81.02235	1.4
82.06659	1.3
85.02982	1.7
87.05648	5.1
89.02450	3.3
89.25887	1.1
95.02539	1.9
96.00935	23.5
98.02488	34.2
99.00901	1.2
99.04542	4.5
101.02456	3.9
108.03287	1.2
109.01703	2.1
111.02055	2.0
113.02494	1.5
113.02809	1.6
113.03593	15.6
114.02016	2.3
115.92077	1.8
124.04123	1.2
125.02462	2.2
126.63956	1.3
127.05209	1.4
129.10356	3.2
129.72337	1.2
130.08762	89.2
131.04640	16.6
131.09155	1.7
134.00433	1.3
138.09212	2.3
139.08708	1.7
140.07224	2.4
145.03006	1.1
145.06117	1.1
155.08302	1.4
161.04576	1.4
165.10367	3.4
166.05103	1.9
166.08740	5.5
168.08881	1.0
181.09813	2.3
182.15546	2.2
183.11360	1.8
183.40964	1.2
195.15083	2.1
197.16609	11.4
199.18196	8.5
209.09352	4.9
210.07780	2.1
223.14565	1.9
225.16135	5.6
227.10344	1.5
235.18150	1.8
243.17145	15.2
244.17525	1.4
253.31590	1.4
261.15967	2.3
265.18182	1.6
291.16272	1.6
309.16818	1.7
312.26624	1.8
323.16211	1.8
327.14365	2.1
392.25595	2.8
436.24576	100.0
437.24957	9.3
453.27283	19.0
454.26135	6.1
471.28369	33.5
472.25949	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	471.3483
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.37287	1.5
51.66512	1.5
70.61770	4.8
74.58146	1.6
75.73181	1.5
115.55562	1.5
140.61197	1.8
184.77495	1.8
382.86215	1.8
417.50961	1.8
453.33731	12.0
471.34857	100.0
472.35208	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Odoratone
Peak:m/z	Relative Intensity
69.10594	9.0
98.22523	2.0
119.35921	0.9
135.44566	0.8
135.69904	0.9
149.47411	0.8
180.38441	0.8
260.04208	0.9
471.34833	100.0
472.35141	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	471.3482
Annotation	Wilfolic acid C
Peak:m/z	Relative Intensity
51.18499	0.5
55.06604	0.5
57.03448	1.9
59.01375	2.0
69.03442	1.2
70.07777	1.5
70.08153	1.3
79.26869	0.6
81.99799	0.5
85.06592	4.5
97.06588	0.9
98.22543	0.5
173.34189	0.6
409.30835	6.5
410.31339	0.8
411.32635	6.2
427.35797	4.4
471.34818	100.0
472.35114	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	472.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.6
59.01376	2.0
61.98842	2.0
67.29354	0.3
68.21741	0.3
71.01383	0.8
73.02923	0.5
76.19668	0.3
81.03443	0.5
83.81544	0.3
89.02431	0.4
92.05093	0.6
96.00938	0.5
96.96026	0.4
99.04525	11.2
101.02450	2.4
121.05341	0.9
125.02457	10.4
130.08777	0.4
135.04532	0.5
136.05309	6.1
137.05656	0.5
140.25238	0.3
149.06226	0.3
150.05568	0.4
166.05106	100.0
167.05466	2.7
208.06224	0.5
305.08746	0.4
371.24472	0.4
428.15628	0.5
472.14331	0.6
472.26315	0.6
473.27579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.7
61.98835	1.9
62.10046	0.7
64.00469	0.8
70.02985	18.2
71.01382	2.0
73.04081	8.4
74.02472	3.2
82.02993	1.3
82.06602	1.2
83.05034	0.8
87.00898	2.3
87.05673	4.2
88.04037	1.9
96.00921	40.1
96.04555	4.6
97.01257	1.1
97.04064	0.9
98.02500	10.3
99.04585	0.7
102.05614	0.8
108.08209	2.8
109.01702	2.2
109.04057	0.8
110.06122	1.2
111.02015	0.8
111.04491	0.7
113.03593	1.5
114.01978	2.0
115.08789	8.0
116.07201	1.2
117.03451	0.7
124.04061	1.1
124.07650	1.1
125.07211	2.7
126.05592	1.5
127.05151	3.3
127.08792	2.6
128.03563	6.3
129.10350	4.6
130.08745	7.6
131.04623	1.1
135.04521	1.7
139.08815	1.1
141.10378	2.8
143.11917	1.2
144.07822	1.1
145.06206	1.6
146.04604	1.1
147.07385	0.8
151.08826	1.2
152.07195	10.5
154.09846	5.1
155.08284	2.1
157.13474	2.1
162.04271	0.8
163.68808	0.7
166.08728	1.9
168.11505	1.9
169.09863	3.5
172.10936	100.0
173.11287	3.7
177.10400	0.8
179.11909	7.9
180.12251	1.1
183.11334	1.0
186.12512	3.2
187.10918	1.3
190.07481	0.9
196.14502	1.6
197.12923	1.2
200.14131	1.7
201.12439	1.8
203.02675	0.8
205.09811	9.6
207.11273	0.9
214.15607	1.3
223.10890	17.0
224.11090	0.8
225.13644	1.9
226.12027	1.2
238.51530	0.8
241.11781	1.1
242.18694	0.9
243.14551	1.3
249.08801	0.8
255.13612	1.3
267.09924	2.2
269.12531	1.3
281.11450	38.1
282.11877	1.5
287.13715	0.9
297.07770	2.1
299.12466	7.9
309.14499	1.5
311.05630	1.1
325.07318	0.9
340.18765	3.2
353.06476	4.2
383.07770	1.5
422.20209	1.5
428.25226	9.3
429.24390	1.5
437.20331	1.5
442.18265	1.1
442.26669	1.9
444.61755	0.7
454.22931	9.1
455.22461	2.7
472.24414	17.4
473.10944	4.8
473.23389	2.5
473.27063	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	472.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.6
58.02941	1.2
59.01347	2.1
61.98787	1.8
67.02966	1.8
69.16250	4.4
69.16674	6.1
70.02983	28.2
71.01364	2.5
71.02485	2.5
72.00867	1.4
73.04041	2.0
74.02449	1.6
82.06591	2.0
87.00826	3.2
87.05614	7.3
88.04039	7.7
95.02523	7.1
96.00919	75.6
98.02488	9.6
98.22544	2.6
101.45762	1.1
106.50100	1.0
109.01614	3.6
111.02003	17.5
112.07632	2.3
113.03580	38.8
114.01974	52.2
114.03841	1.5
117.03402	3.3
121.04004	2.1
123.03265	5.3
124.03965	3.6
127.08680	1.4
128.03540	8.0
129.10350	17.5
130.08763	5.5
130.09508	1.4
131.04630	51.0
132.02953	1.1
135.04442	1.9
138.09137	4.4
139.08728	5.9
140.07146	1.6
151.08745	1.7
155.08275	15.2
155.11844	1.4
157.13480	1.4
164.04568	1.9
164.09459	2.1
165.10387	6.4
166.08739	25.7
169.09714	1.6
172.10777	4.5
177.05527	1.7
186.12381	2.5
195.14861	1.4
200.13908	2.3
201.12389	1.7
207.15012	9.7
209.09129	3.9
211.11751	1.3
224.17557	2.9
225.16077	28.1
226.12001	5.5
226.16183	1.5
227.10329	2.3
235.17929	3.6
236.16493	2.1
240.17111	1.9
242.18741	14.8
244.12869	3.7
260.17413	3.7
261.15805	3.1
268.16663	1.3
278.18796	10.6
279.16870	3.3
295.06009	1.5
295.21280	2.3
296.19501	2.5
297.07727	7.6
304.16687	11.3
307.05844	1.3
310.98630	1.3
321.18951	1.6
322.17667	13.4
323.05402	1.7
323.15909	1.1
325.07162	5.9
328.05670	1.2
339.20364	21.3
340.18512	3.1
342.21036	2.0
350.20480	2.7
353.06674	27.8
356.22885	1.9
357.21518	7.9
365.06647	1.3
378.78778	1.3
383.07187	3.9
393.20938	2.2
413.08292	2.1
419.19345	6.5
428.25003	6.6
429.23154	1.6
436.21442	4.0
437.20404	100.0
438.20819	8.9
454.23096	42.4
455.21713	12.1
472.23572	46.4
473.10852	27.1
473.23627	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	472.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01383	3.3
61.98841	6.0
66.03478	1.3
69.12393	1.9
69.12806	7.0
71.01382	3.7
71.02477	1.1
73.04070	12.4
74.02482	3.3
81.58630	0.9
82.02984	1.7
82.06645	1.0
83.02533	1.4
85.04073	1.0
88.04050	70.7
96.00935	3.0
98.02464	2.2
99.04543	1.5
101.45047	0.9
102.05656	1.6
103.61243	1.0
112.05175	5.5
113.03578	7.4
114.05704	1.7
115.00396	3.1
115.08829	1.5
117.03504	1.9
125.02477	1.8
126.04375	1.8
127.05135	1.2
128.03545	7.9
129.10371	6.6
130.06241	47.3
130.08784	6.5
131.06557	1.4
132.03029	1.3
135.04535	2.9
139.08855	2.2
140.07156	4.6
140.10951	1.0
141.10352	2.2
151.08861	2.0
152.07236	1.6
157.13454	8.6
160.65358	1.0
165.10304	0.9
166.08710	1.6
167.07133	1.7
168.11487	1.5
169.09882	3.1
174.08893	6.5
179.03426	0.9
181.07533	0.8
186.12531	3.9
197.12962	1.0
197.16510	1.1
198.12575	1.1
200.14041	1.1
201.12440	7.6
206.17845	0.9
207.15057	1.8
222.83177	0.9
225.13625	4.1
225.16083	2.8
242.18842	2.1
243.14737	2.5
251.07416	1.2
267.07156	1.3
267.09988	4.2
270.21939	8.7
271.22229	1.1
283.06281	1.7
293.04590	1.8
295.06171	1.6
295.21408	1.4
297.07675	7.8
311.05826	1.6
314.20831	1.2
323.05957	1.4
323.16370	2.5
325.07297	5.5
327.24240	1.8
328.05908	1.2
343.24429	1.5
353.06696	24.3
356.23270	3.4
357.21301	5.4
371.23071	1.7
383.07773	5.5
395.08063	1.7
413.09048	2.2
428.25140	28.7
429.25406	2.4
437.20612	1.4
438.19174	1.3
442.26904	1.7
454.23172	4.3
470.45917	1.1
472.28030	100.0
473.10910	25.8
473.21902	1.1
473.28439	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	472.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86650	1.5
59.01387	2.3
59.63504	1.6
69.74442	8.7
71.01392	26.3
71.02541	1.6
74.41947	1.6
88.04050	38.2
96.00934	4.7
96.96022	3.2
98.02486	4.5
98.22433	2.3
102.05650	2.0
105.31741	1.6
109.02939	7.3
110.03592	3.4
115.00385	39.7
115.08793	16.3
116.07169	10.2
120.72014	1.5
125.02482	3.1
125.07195	4.7
125.10162	1.8
127.05178	3.4
128.03578	4.7
129.10376	2.4
132.03053	21.5
133.02951	3.7
135.04530	35.2
143.11942	3.8
144.11458	23.0
145.09879	4.8
146.06013	1.9
148.04129	1.6
149.06117	13.7
150.08028	4.8
151.08809	1.8
152.07199	1.8
161.02455	5.8
161.06137	2.5
167.10687	2.7
177.05602	3.0
179.03503	3.3
185.16747	2.0
187.10930	3.2
189.05614	5.7
191.07094	3.0
191.47836	1.5
193.13487	19.1
207.06674	3.0
210.16115	18.4
221.04637	6.1
228.17268	6.7
231.06721	6.2
235.06216	6.4
238.13225	8.1
239.05667	4.7
240.17123	8.3
249.07765	3.3
250.00484	2.1
257.19955	4.0
273.31042	1.6
291.56027	1.6
313.26212	1.6
324.15744	2.0
338.25601	43.8
339.25998	2.7
356.26733	32.3
357.24942	29.7
358.25436	3.1
397.11627	1.7
401.10745	3.8
415.12393	1.6
428.28925	15.0
437.24237	4.2
443.11761	1.5
454.26999	3.2
472.27939	100.0
473.12820	3.2
473.22678	1.9
473.28268	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	473.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
69.41074	2.6
70.74194	0.3
71.01393	6.7
73.02937	1.1
76.18153	0.4
85.02956	1.3
87.00903	0.5
88.04052	1.2
89.02459	5.7
96.00951	0.8
99.00889	0.5
99.77423	0.3
100.94949	0.4
101.02445	2.0
101.07198	0.4
102.05642	0.4
105.03462	0.4
107.85049	0.4
109.01774	0.4
109.02982	1.0
113.02470	0.7
114.05620	0.4
115.00442	0.7
115.08719	0.7
116.07162	0.9
117.03464	0.7
124.04088	0.4
127.05164	1.6
128.03571	2.8
130.08781	0.6
131.03500	1.7
131.04521	0.3
132.02196	2.0
132.03067	0.8
133.02974	26.8
134.03310	0.6
135.04547	13.5
136.04851	0.5
146.04608	0.5
148.04066	1.1
149.04559	2.3
149.06108	0.8
151.08861	0.6
161.02464	100.0
162.02809	4.2
163.04066	0.4
175.04080	0.9
177.05598	1.4
179.03514	26.9
180.03822	1.3
191.05580	0.8
193.13535	1.0
203.03506	3.5
221.04515	0.6
222.12729	0.4
233.06679	0.4
237.05783	0.4
239.07033	0.3
265.05090	0.5
267.06665	1.3
293.04587	1.3
311.05469	0.6
321.19293	0.6
339.20395	0.5
343.20126	0.5
357.21588	0.7
358.20056	0.8
413.11218	1.0
417.09665	0.4
438.18570	0.6
455.21686	1.2
473.13028	11.1
473.22403	3.1
474.12863	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	473.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01373	2.7
61.98835	5.0
68.01438	1.5
69.03213	11.2
70.02969	7.1
71.01385	3.1
71.02512	3.0
72.00912	3.4
73.02944	1.4
77.71837	0.9
81.03448	2.0
83.02522	2.6
85.04065	2.3
89.02468	1.6
91.05544	3.7
96.00919	1.5
99.04540	4.0
100.89504	1.2
101.02439	1.6
102.45930	1.2
113.03601	3.0
116.05083	3.2
118.06621	9.6
121.03883	1.1
125.02453	4.0
131.05032	3.1
131.06497	1.0
133.06596	1.4
144.08221	1.7
146.06126	2.9
147.04536	19.7
148.07710	41.4
161.07230	1.4
164.07181	45.2
164.08572	2.2
165.07428	1.9
166.05014	1.5
167.05569	0.9
173.07137	1.1
175.08820	5.6
187.08766	2.2
189.10281	2.1
217.09894	2.0
233.20058	1.1
250.12263	1.9
252.13948	3.0
296.12961	6.8
309.12625	1.6
311.14069	12.9
321.12003	1.1
323.14035	1.6
335.14108	1.8
353.15097	100.0
354.15411	9.1
365.15128	4.5
371.24615	1.2
383.16132	15.0
473.19366	15.0
473.27536	12.9
474.19589	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	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
62.82480	0.4
63.72614	0.4
66.21609	0.4
69.67717	2.7
71.01379	4.6
71.98610	0.4
72.33988	0.4
72.99323	0.4
85.02956	1.1
87.00867	0.5
89.02453	6.1
90.53996	0.4
97.06564	0.8
101.02463	3.2
113.02438	3.4
119.03491	2.5
121.02951	1.2
122.03765	1.6
125.02418	0.4
126.03242	0.7
136.05273	0.7
143.03532	0.8
161.04562	0.8
167.14432	3.0
175.50282	0.5
179.05629	0.9
193.15994	1.4
207.17596	1.5
223.20665	2.1
228.99698	0.4
231.17490	0.8
233.15494	0.6
249.18613	9.4
250.19067	0.8
251.20143	0.9
267.19659	94.0
268.19946	5.3
275.16550	11.7
276.16898	0.8
281.21252	0.9
291.19702	0.5
293.17593	52.6
294.17957	3.8
295.19110	1.3
307.19238	1.6
311.18652	100.0
312.19019	8.0
312.22430	0.3
335.18710	1.3
353.19739	5.0
390.15350	0.4
473.23923	5.9
474.24265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
58.00591	3.8
59.01094	3.1
59.01381	53.1
61.98830	3.1
70.62230	4.1
70.62589	3.4
71.01382	32.0
72.99314	3.3
83.01364	2.6
85.02962	6.8
89.02446	27.0
91.02727	1.8
95.01395	2.3
101.02457	17.4
113.02490	9.7
119.03510	8.5
183.13927	4.3
202.59036	1.7
223.13428	2.2
230.19977	2.0
275.20105	3.5
293.21268	18.7
311.22293	5.3
458.73282	2.0
473.27609	100.0
474.27893	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	474.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.95468	1.2
58.02970	3.8
59.01392	2.7
69.28011	8.4
71.01377	1.7
72.65171	1.1
80.05069	1.8
83.01395	1.9
84.04557	7.1
85.02953	1.7
87.05634	5.9
88.04046	22.1
89.02447	3.5
93.69209	1.2
96.04565	2.8
97.02967	1.1
97.04047	1.4
98.02461	2.5
98.06109	4.1
99.00896	1.4
100.04076	8.5
102.05625	31.6
112.04040	3.3
112.07675	1.8
113.07209	2.9
114.05579	2.1
116.07191	5.0
124.04057	21.2
128.03560	100.0
129.03905	2.4
129.10350	14.0
136.04128	2.3
140.03535	2.2
141.06676	3.6
142.05135	9.3
146.04611	16.1
159.07730	2.5
160.06181	8.3
173.09338	1.6
175.00508	1.0
184.06151	1.7
201.12404	1.6
202.07291	6.3
245.11375	4.0
274.09351	4.9
345.13058	75.4
346.00266	1.1
346.13275	4.4
430.18359	3.6
431.18195	1.3
474.17303	80.3
475.17444	7.2
475.38354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88312	1.5
51.89484	1.2
59.01393	1.5
61.98820	4.4
69.14561	10.2
69.14981	4.7
78.95885	7.4
98.21796	3.4
102.51129	1.6
103.98084	1.4
140.01184	2.9
196.03719	2.1
207.12387	1.6
277.21738	100.0
278.22119	7.5
279.92053	1.5
438.09912	2.0
474.26508	9.7
474.32251	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	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98824	1.9
70.56706	2.6
78.95906	26.8
81.30638	0.9
83.11469	0.7
84.17234	0.7
122.00140	1.5
125.87276	0.8
137.92815	0.7
140.01205	6.5
152.99568	3.0
159.86038	1.5
162.83919	14.8
183.48564	0.8
196.03796	13.8
200.00674	0.7
201.27550	0.8
214.04813	4.3
242.77641	0.8
277.21738	100.0
278.22046	7.5
400.10983	1.1
438.08548	2.3
474.26276	22.3
475.26730	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	475.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47822	17.8
71.01375	17.6
93.97460	6.0
97.17609	6.1
109.02940	18.2
115.00407	38.2
125.02454	18.8
128.03558	9.2
133.01436	100.0
152.03563	9.9
197.48006	6.1
207.51756	7.5
269.08069	6.6
278.71313	7.0
290.22903	6.5
424.80585	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	475.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80296	0.8
56.52768	1.0
58.07045	1.0
59.01382	4.9
69.33151	7.1
71.01376	2.9
74.02458	1.5
77.75566	0.9
82.92698	0.9
82.93178	0.8
87.05634	0.9
89.02422	1.7
96.96020	1.0
98.21799	0.9
101.02456	1.4
105.03465	1.2
108.02182	2.5
109.02969	100.0
110.03293	3.7
113.07216	2.5
115.00392	1.0
116.92901	1.2
121.02966	3.2
123.04491	1.2
127.05129	2.5
128.03563	2.3
132.02245	1.2
132.71802	1.0
133.02972	6.1
134.03737	1.0
135.04544	9.8
145.02994	3.6
145.09825	1.8
146.03691	1.6
147.04538	11.5
158.03801	1.7
159.04547	35.5
160.01660	1.4
161.02425	3.6
161.06123	0.8
163.04027	0.9
173.02420	1.9
175.03969	2.4
177.01949	1.6
177.05551	1.6
179.03491	3.5
184.07358	1.4
185.02443	3.7
186.03285	1.2
203.03494	14.6
217.13426	1.3
225.05557	0.9
227.58102	0.9
245.04549	1.0
251.07037	1.0
251.11862	5.5
254.05769	2.1
261.12430	3.7
267.06607	1.9
269.08215	55.0
270.08426	3.8
295.06186	14.3
296.06473	1.3
313.07211	24.6
314.07397	2.5
355.08221	1.4
432.19275	1.3
445.25284	1.2
455.58179	1.0
475.11804	0.9
475.26074	1.2
476.21417	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	475.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	33.9
64.46130	22.8
67.35221	19.6
69.87679	100.0
71.01380	31.4
73.97433	17.8
87.00887	22.3
89.02467	27.0
93.25098	18.4
103.92059	19.7
111.00876	81.2
115.00376	29.6
125.02518	27.8
127.96939	18.9
128.03537	25.6
132.03058	36.9
133.01440	70.7
152.66650	18.9
213.98892	30.6
281.20700	19.2
297.72800	19.8
404.31674	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56863	6.7
51.25486	6.7
55.21078	5.8
56.99991	7.5
57.03184	7.1
57.03449	100.0
59.01372	25.4
69.11445	50.5
69.11874	21.4
69.46690	6.5
71.01366	8.5
71.05020	63.4
73.02937	20.3
83.05029	15.4
89.02440	29.1
96.53650	7.1
99.00861	9.9
99.04539	17.6
105.52489	6.6
111.04505	29.2
111.08124	10.5
113.06068	8.0
117.01906	13.6
125.02528	7.5
135.22417	8.1
145.10213	8.3
157.06609	8.5
158.52679	7.1
168.55840	6.9
169.10199	25.9
171.08096	6.6
180.10396	7.6
183.11832	8.0
187.11272	66.1
227.14375	25.3
230.13205	8.6
241.15958	19.8
243.17604	14.2
257.19064	9.2
281.19064	29.4
285.15009	8.2
299.20178	60.4
301.17944	8.4
325.17999	19.1
343.19174	62.9
370.78107	9.2
387.18057	29.0
431.17120	10.5
475.28098	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84082	2.9
59.01384	4.5
60.99305	15.1
66.82638	2.6
71.01375	3.7
88.98810	100.0
89.02455	28.3
101.02454	2.6
109.02949	9.4
116.17480	2.4
117.50403	3.0
123.17654	2.8
125.02441	3.7
133.03003	3.1
135.04535	6.0
159.04530	2.9
161.02428	4.3
256.01447	2.8
269.08246	4.5
295.06342	3.6
313.07208	8.8
355.07248	4.4
446.68460	2.6
475.11591	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.0
59.01388	9.9
60.99314	14.0
61.98840	2.6
71.01390	6.6
71.32629	2.5
74.22066	1.6
83.01382	2.0
84.39574	1.9
85.02969	2.2
87.00912	4.3
88.00386	2.0
88.98812	100.0
89.02454	45.3
89.99142	1.9
99.04536	2.2
99.15983	1.7
101.02445	3.3
109.02962	55.5
114.05608	4.7
115.00340	2.0
116.07160	1.7
121.02934	3.7
125.02502	4.9
127.05095	2.1
128.03537	3.2
133.02977	5.9
135.04556	10.0
147.04547	6.4
149.06081	1.6
159.04526	22.1
161.02454	5.7
161.04480	2.0
162.56300	2.1
164.07196	1.6
169.22537	1.7
179.03535	5.9
183.27721	1.9
203.03557	5.5
267.06729	6.6
269.08167	20.5
295.06104	29.3
313.03973	1.8
313.07193	51.1
313.10764	3.2
314.07535	4.4
355.07483	2.8
475.11877	5.1
475.26080	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	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50799	1.9
57.03451	29.3
58.00602	2.4
59.01381	84.5
66.33562	1.9
69.06758	5.9
69.07179	13.3
71.01386	42.4
73.02951	17.3
83.01382	2.3
85.02965	5.5
85.53538	1.9
89.02448	100.0
90.86993	1.9
95.01409	2.3
99.00879	26.2
99.04527	29.3
101.02450	48.7
101.03111	3.3
107.47506	1.8
109.01691	2.0
109.02960	2.5
113.02468	7.9
113.03571	2.9
114.05624	6.6
119.03529	3.9
125.02446	12.5
128.03584	3.6
131.03546	14.0
131.04431	3.2
143.03494	2.6
148.03970	2.9
149.04572	51.1
154.38171	2.1
154.96318	1.9
160.78377	2.1
161.04546	4.3
186.33722	2.1
191.05673	13.3
221.06691	2.6
230.92844	1.8
233.72818	2.2
240.60005	1.8
251.07904	2.1
268.93475	2.0
269.08029	2.7
309.82465	2.0
331.17731	5.4
350.64587	2.2
415.16147	6.7
475.22110	5.2
476.89529	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	69.0
69.23201	21.7
71.01388	46.8
73.02969	17.8
79.17023	2.7
83.01427	3.3
85.02940	8.0
89.02454	100.0
92.93864	2.5
96.75519	2.1
98.21759	4.5
99.00907	24.4
101.02458	39.0
113.02425	3.0
119.03481	5.0
125.02517	3.4
131.03529	20.8
143.03511	4.1
149.04576	63.7
191.05623	14.8
203.34535	3.0
211.92776	2.5
411.73026	3.1
413.05469	3.5
475.18201	9.1
476.28717	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	92.2
59.01381	100.0
61.98817	7.1
63.02369	2.5
65.00317	3.2
65.70586	2.3
70.85674	5.9
71.01385	25.5
73.02933	9.5
74.02451	3.0
81.03465	4.3
83.01371	7.8
85.02958	7.8
87.00851	2.7
89.02457	12.7
93.03468	4.4
99.00883	2.7
99.04525	85.3
101.02444	37.9
107.01388	6.3
108.05933	2.1
113.02469	5.8
115.03663	2.3
119.03500	6.5
119.05061	21.3
123.04565	3.5
125.02467	29.5
130.08788	4.3
133.03032	2.5
134.03743	3.2
135.04546	5.3
135.73178	2.4
135.98364	3.5
137.02467	37.6
151.00366	23.3
151.04004	3.2
161.02393	6.5
161.04539	6.8
168.03027	8.7
169.03340	4.7
175.03972	3.0
176.04298	3.3
179.05693	3.6
252.09303	2.2
271.06131	55.8
272.06506	5.5
298.49707	2.7
311.09509	2.5
313.07339	3.2
331.17657	8.7
338.09610	2.5
408.63739	2.5
419.51529	2.5
475.22168	6.9
475.28989	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92886	1.0
57.03452	100.0
57.54435	1.1
58.03793	1.4
59.01384	83.9
60.91821	1.3
69.21281	2.7
69.21684	8.8
71.01389	17.4
73.02952	5.0
83.01400	2.7
85.02962	3.9
85.10472	1.0
89.02449	13.1
95.01423	1.6
99.04527	78.6
100.04865	1.7
101.02456	31.8
113.02466	7.1
119.03506	5.0
125.02462	27.1
143.03502	4.7
161.04559	4.4
179.05602	4.0
331.17642	10.2
373.18719	2.8
475.21854	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70005	0.8
55.01882	0.9
57.03453	100.0
58.03776	1.5
59.01386	96.1
59.05824	0.7
60.01712	1.4
61.98825	1.6
71.01389	22.8
72.99287	1.1
73.02951	6.2
78.91913	0.8
81.03450	1.8
83.01399	4.2
85.02957	8.1
85.74125	0.8
86.03304	0.9
87.00874	1.8
88.04048	2.5
89.02444	9.4
95.00467	0.7
95.01395	2.0
95.02060	0.8
98.21709	1.7
99.00876	2.9
99.04529	86.5
100.04858	2.4
101.02455	27.7
101.03120	1.4
113.01698	1.3
113.02452	10.0
119.03500	4.1
125.01527	1.7
125.02454	30.6
133.03003	0.9
143.03528	2.1
161.02534	1.1
161.04559	8.7
179.05629	2.0
191.03438	1.5
229.43694	0.8
267.12354	0.8
307.56131	0.8
312.64853	0.9
321.26648	0.8
331.17630	10.9
332.17874	1.2
356.21936	1.2
373.18579	2.1
386.12936	0.8
391.01138	0.8
469.26392	1.0
475.21542	3.6
476.26450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03458	100.0
58.00609	1.6
59.01388	86.2
61.98834	3.6
69.04408	6.5
69.04839	5.5
71.01399	22.3
72.99335	1.3
73.02960	4.5
73.04097	1.2
77.19463	1.2
83.01414	2.7
83.24349	1.1
85.02949	5.7
87.00893	1.9
89.02458	14.7
95.01398	1.9
99.00932	2.3
99.04537	86.5
100.04908	2.4
101.02458	33.4
113.02454	8.8
113.07226	1.3
119.03533	6.1
125.02463	31.0
127.05180	1.8
131.03598	1.6
135.04523	2.3
143.03540	3.0
147.04678	1.4
161.04596	2.2
164.07251	1.2
179.05666	3.5
230.47223	1.4
233.31038	1.3
304.78720	1.2
331.17734	8.1
357.14755	1.2
373.18637	3.2
392.22302	1.1
405.77924	1.1
475.22046	9.7
476.25269	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	476.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03450	0.4
59.01373	2.8
62.33313	0.2
67.01884	0.5
70.25801	0.9
71.01385	6.1
73.04077	0.3
81.03469	1.7
83.01395	0.3
84.95099	0.5
85.02949	5.5
87.00853	0.2
89.02451	4.6
95.01405	2.0
97.02958	0.6
99.00887	0.3
101.02448	1.0
102.08637	0.2
108.04569	1.3
109.02940	0.4
113.02454	15.9
114.02813	0.3
115.00394	0.5
118.15602	0.2
118.16518	0.2
119.03494	1.3
123.04511	0.3
125.02453	100.0
125.61659	0.3
126.02788	2.8
133.01410	1.3
137.06033	0.2
143.03493	1.0
149.04570	0.3
152.03542	15.4
153.03911	0.4
161.04562	4.4
179.05623	1.2
476.14127	5.2
476.21048	0.4
477.14267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
64.15970	0.6
67.93347	0.6
70.29586	2.4
73.78340	0.6
73.79268	0.5
81.05717	0.6
82.85795	0.6
179.78345	0.6
204.08408	0.6
264.98471	0.7
348.89526	0.7
441.11249	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	476.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62266	1.7
57.03451	42.7
58.03779	2.6
59.01384	55.4
60.01740	2.3
61.98835	100.0
69.36649	9.6
71.01395	17.6
72.99306	2.5
73.02950	6.4
74.02480	5.6
81.03477	2.4
81.29096	1.7
82.94766	1.7
83.01410	2.2
84.36610	1.5
85.02945	5.5
86.41833	1.6
87.00881	1.8
89.02454	17.1
96.00944	2.7
99.00893	6.1
99.04525	41.5
100.04850	3.7
101.02444	20.9
109.02956	2.0
113.02474	7.1
113.03600	4.2
116.07198	1.7
119.05102	1.5
123.04563	5.0
125.02457	18.6
130.08765	3.1
131.03484	2.7
133.03009	2.8
135.04550	2.9
143.03499	3.4
145.02995	1.6
147.04674	1.5
149.04544	6.2
149.06078	6.6
152.07042	1.4
161.02426	6.1
161.04599	5.0
161.05905	1.6
169.09805	1.8
179.03433	2.9
181.02197	1.4
183.10196	2.1
191.05614	2.7
269.10443	3.6
271.09784	4.6
297.07690	1.7
311.11496	2.3
324.89087	1.6
332.17871	3.0
348.18280	2.2
377.45197	1.9
413.14606	4.9
442.19901	2.4
472.21619	1.7
476.25525	9.3
477.14124	2.6
477.23413	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	476.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.2
59.01385	6.5
59.89879	0.9
61.98838	6.4
66.33394	0.9
69.03575	10.7
71.01376	2.5
71.02501	4.0
72.00916	4.7
74.02475	1.1
85.02956	1.0
88.98820	2.3
89.02453	2.0
91.05528	2.1
91.36343	0.9
95.02529	1.4
96.00915	6.4
98.02497	5.7
99.04526	3.3
101.02474	2.2
109.02990	5.0
111.02029	1.4
112.05205	1.2
113.02386	1.9
113.03586	7.1
114.05602	1.0
115.08774	13.5
116.07183	1.2
118.06619	2.1
124.07729	1.6
125.02428	3.2
125.07269	1.5
126.05658	1.9
130.06236	13.8
133.02966	1.6
140.07176	1.6
141.06689	3.0
147.04532	21.3
151.08775	4.0
152.07196	2.9
152.08292	1.5
152.23257	1.0
153.01956	4.2
153.06740	2.2
161.02458	5.4
164.07178	45.3
165.07578	1.9
179.11859	1.6
194.09395	1.9
195.07793	1.1
196.14482	2.2
197.12961	1.4
203.41072	0.9
211.12027	1.6
214.15623	23.9
215.15852	1.3
217.13370	1.2
219.15048	8.3
245.12955	1.6
263.14053	3.3
271.09921	1.2
295.13116	1.3
296.09207	0.9
301.03320	0.9
318.21896	5.7
323.07739	2.3
328.20297	1.4
362.21100	2.1
398.21133	1.5
410.10022	0.9
442.19940	10.8
459.22528	21.1
460.23026	1.8
476.25183	100.0
477.25537	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	476.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03077	0.2
55.90756	0.2
59.01368	0.4
60.99154	0.2
70.60481	0.5
78.95908	9.4
86.80902	0.2
140.01202	2.6
152.99608	1.1
171.00626	0.3
196.03828	1.3
214.04887	3.0
261.22238	0.5
267.38113	0.2
279.23303	100.0
280.23657	8.7
327.76523	0.2
476.27853	7.2
477.28165	0.7
487.68695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
62.96414	0.8
70.87510	1.4
70.87849	1.2
78.95916	32.3
119.37197	0.6
122.00137	1.7
127.07490	0.7
140.01208	5.2
152.99622	3.7
153.52452	0.7
171.00668	1.2
171.06451	0.6
196.03828	11.3
213.60782	0.6
214.04890	2.3
226.78401	0.7
279.23322	100.0
280.23700	7.5
476.27878	25.1
477.28256	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70182	0.6
55.01879	8.2
56.98281	0.7
57.03449	10.1
58.00596	2.4
59.01381	56.4
61.98825	1.1
69.03467	1.4
70.45235	0.7
70.54922	1.5
70.55289	1.4
71.01385	93.0
72.01708	0.8
72.99306	4.4
73.02949	28.2
73.68345	0.6
74.02514	0.9
75.00871	1.1
83.01386	18.9
85.02951	44.5
87.00867	3.6
89.02447	31.6
89.03284	0.8
95.01379	5.8
97.02951	1.8
99.00885	12.8
99.04530	3.7
101.02448	100.0
102.02802	1.9
111.00819	1.1
113.02457	42.0
119.03512	10.7
125.02464	3.5
129.01939	1.3
131.03494	2.4
142.02617	0.7
143.03525	7.5
146.39005	0.7
149.04587	1.0
159.03003	7.0
161.04565	45.5
162.04945	1.4
165.91368	0.8
179.05594	4.4
181.19911	0.7
205.03511	1.4
221.06657	0.8
239.17436	0.8
264.28287	0.7
315.18121	48.4
316.18524	3.3
357.14575	0.9
359.17407	1.1
417.13223	0.9
477.23434	49.3
478.23691	5.4
500.12344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72224	1.1
55.01886	8.9
57.03450	7.5
58.00586	3.5
59.01388	72.6
62.47567	1.0
68.44057	1.0
68.99835	1.2
69.27647	9.0
71.01390	99.3
72.99307	4.3
73.02955	28.8
75.00871	1.8
77.12462	0.9
83.01403	16.0
85.02956	41.9
85.03477	2.2
87.00883	5.8
89.02456	32.2
95.01388	7.2
97.02941	1.9
98.21795	2.1
99.00885	10.4
101.02454	100.0
102.02824	1.5
113.02467	42.6
116.94042	1.2
119.03511	14.2
125.02450	3.0
129.01909	1.4
131.03546	2.0
140.86702	1.0
143.03519	8.1
149.04544	1.3
159.03027	7.8
161.04568	48.3
179.05611	4.7
260.98444	1.1
315.18149	34.3
477.23517	28.1
477.30292	1.4
478.23959	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	477.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53638	0.6
55.01869	0.6
57.03453	100.0
58.00599	2.1
58.03795	1.8
59.01385	64.8
60.01696	0.5
61.98849	0.6
69.03458	1.2
70.48370	1.2
71.01389	32.4
72.99304	2.0
73.02953	26.9
73.65932	0.5
75.00861	1.0
79.05531	2.3
81.03474	4.3
83.01396	8.8
83.05051	0.7
85.02962	6.9
87.00887	1.3
89.02448	13.5
95.01412	2.7
95.05029	1.4
97.02953	0.7
97.06599	1.8
99.00877	0.9
99.04529	75.5
100.04874	1.6
101.02454	50.4
102.02787	1.0
103.72449	0.6
103.76785	0.5
109.06584	1.6
113.02464	19.4
113.06097	3.8
119.03516	8.3
123.04536	23.5
124.04915	0.7
125.02463	33.0
126.02789	0.8
131.03505	3.3
135.04515	0.6
141.05609	2.9
143.03502	5.3
147.02982	0.6
149.04573	3.6
150.61192	0.6
153.05589	3.9
155.03485	1.3
158.64285	0.5
160.26952	0.6
161.04572	9.7
179.05576	3.5
203.05537	1.1
221.06595	1.2
226.73259	0.5
263.07706	0.7
400.47488	0.6
477.23190	1.2
497.90698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91140	1.0
57.03452	100.0
58.00574	2.8
58.03794	1.5
59.01383	78.0
67.23457	1.0
69.03468	1.6
69.24419	9.3
71.01385	29.0
72.99306	2.3
73.02953	32.9
75.00844	1.3
79.05542	3.3
81.03465	3.9
83.01397	10.2
85.02958	6.2
87.00901	1.2
89.02449	13.6
95.01402	2.5
95.05007	1.5
97.02991	1.4
97.06588	2.3
99.04526	82.7
100.04863	1.4
101.02449	58.0
109.06602	1.6
113.02467	23.3
113.06090	4.1
119.03506	8.0
120.99727	1.3
123.03632	1.6
123.04535	25.3
125.02457	38.7
125.75777	0.9
126.02772	1.2
131.03497	4.6
141.05573	3.9
143.03491	6.3
149.04547	3.3
153.05579	4.4
161.04576	11.4
179.05614	4.0
183.06491	1.2
203.05667	1.8
465.62292	1.2
477.23904	1.7
477.30713	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03444	2.1
58.00588	4.9
58.95755	1.3
59.01386	74.3
61.98823	6.0
69.03441	1.7
71.01390	68.1
71.31813	2.1
71.32166	1.6
72.99303	4.9
73.02957	16.6
83.01392	3.2
85.02957	10.6
87.00897	2.5
88.71587	1.2
89.02457	100.0
89.14361	1.3
89.81291	1.5
95.01395	3.5
95.21939	1.3
97.02965	2.2
97.38938	1.4
99.00887	20.5
101.02454	43.8
110.89301	1.3
113.02463	17.6
116.39033	1.3
119.03532	17.8
122.61189	1.6
125.02477	6.4
125.67660	1.6
131.03532	15.8
136.04037	1.3
139.84938	1.6
143.03496	3.0
145.04980	1.7
148.93819	1.4
149.04576	47.5
150.04948	1.5
161.04588	5.9
179.05630	12.0
191.05624	12.8
193.13962	1.4
204.36850	1.4
221.06694	3.1
230.65305	1.6
233.06813	1.8
237.09268	3.5
240.14095	1.6
251.07738	4.3
293.08826	2.4
345.19131	7.3
349.26038	1.5
434.21036	2.4
449.38452	1.5
477.23535	76.4
478.23746	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	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45389	36.0
70.45731	18.3
71.75527	16.7
78.95905	45.0
98.21867	22.7
124.64551	17.2
128.82452	15.0
146.56801	15.7
258.71567	16.2
268.40396	17.5
279.23282	100.0
478.29315	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.8
59.01389	3.3
61.98835	100.0
67.30846	0.5
69.37148	2.3
69.37558	1.2
71.01408	1.3
73.04052	0.7
87.05652	0.5
89.02473	1.1
90.96062	0.5
96.00913	0.5
98.21770	0.8
99.04548	1.4
101.02463	0.9
109.01727	1.5
113.03618	1.0
115.45396	0.4
128.03578	1.2
130.06252	0.8
130.08711	0.7
169.22708	0.4
183.29291	0.4
186.12506	1.3
244.06155	1.1
445.24908	0.5
448.22311	0.8
451.57257	0.5
461.20419	0.6
478.23163	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	478.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	10.0
59.01380	12.3
61.98828	2.3
70.02962	1.5
71.01373	4.5
72.00921	4.9
73.02936	1.2
73.04076	17.1
74.02483	5.3
83.02508	4.1
85.02939	1.6
85.04055	2.2
87.05636	1.1
87.76308	1.0
88.03962	1.2
89.02452	1.3
91.05502	2.9
96.00922	2.4
99.04545	7.2
101.02420	5.3
104.03548	1.5
111.02040	2.6
111.04407	2.2
111.15491	0.9
112.05179	6.4
113.02453	1.7
113.02797	1.1
113.03585	12.5
115.00381	1.4
115.08786	12.9
116.22463	1.0
118.72543	1.1
119.03524	1.1
125.02429	4.8
125.07224	1.5
127.08824	1.3
128.03543	1.7
129.10277	1.5
129.97733	0.9
130.06232	38.0
131.04671	0.9
137.07231	5.5
141.06700	4.1
144.07808	1.9
147.04547	14.9
151.08746	1.4
154.09869	17.1
155.08286	4.3
155.11859	2.8
161.04503	2.1
164.07175	32.1
168.11354	1.1
169.07312	5.2
170.05643	1.4
172.10936	34.7
174.08786	1.3
186.12485	1.2
187.08310	4.0
202.07533	2.2
211.12004	5.9
219.15021	6.9
225.13739	1.7
229.13058	2.3
241.11755	1.4
245.12929	2.8
259.14740	1.1
263.13995	4.6
268.14215	6.1
274.15164	1.2
276.17172	8.5
286.15024	1.3
317.16254	1.6
320.16199	3.2
333.19196	3.4
335.17172	2.1
356.05582	1.1
358.19745	3.5
377.17752	1.1
390.21625	2.7
434.20453	100.0
435.20721	10.5
444.17740	2.0
460.22104	3.4
461.20642	2.8
478.23145	73.4
479.23300	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10884	6.9
72.49354	0.7
78.95908	12.5
83.50977	0.7
92.59707	0.7
140.01189	2.3
152.99611	1.3
196.03821	1.6
214.04898	4.1
281.24866	100.0
282.25244	9.2
331.86267	0.7
478.29382	9.0
479.29352	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	478.2939
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
69.15022	2.6
69.15450	1.8
78.95905	23.3
119.34866	0.5
122.00089	0.8
140.01202	5.0
147.30098	0.5
152.99553	2.2
171.00562	0.8
196.03796	10.2
197.71419	0.5
210.92058	0.5
214.04829	2.2
231.27391	0.5
281.24866	100.0
282.25189	7.6
422.34930	0.6
478.29370	26.7
479.29819	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32142	7.5
56.38702	6.7
57.03457	81.7
58.38604	7.1
59.01391	100.0
61.98841	64.2
71.01394	27.9
71.32942	11.7
73.02962	68.3
83.05043	9.2
85.02956	11.3
89.02460	16.4
92.03259	7.2
93.79681	8.2
96.96021	9.3
99.04533	68.3
101.02463	31.4
113.02499	7.5
123.04666	7.6
125.02455	18.6
130.08778	14.5
138.64836	8.3
161.09750	10.4
187.11288	22.4
194.02596	7.1
195.13910	9.2
205.12415	14.4
207.10255	15.9
263.13019	14.9
281.13919	79.6
335.20938	8.5
359.18079	11.0
413.49048	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	479.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22860	2.5
56.52168	1.9
59.01352	2.5
66.84385	2.2
70.61395	6.1
71.01378	26.4
71.02492	7.4
73.04065	9.9
82.48731	2.2
88.04053	25.6
99.00894	4.1
106.67002	2.0
115.00384	36.9
116.05061	3.6
129.10367	20.9
132.03041	22.3
146.06110	6.8
147.04581	4.4
147.24129	2.2
164.07162	8.4
167.05722	6.6
168.11465	6.3
169.09848	4.9
181.12366	3.7
186.12509	42.0
195.61758	2.4
199.13327	3.9
207.10260	7.9
224.12776	5.3
225.11328	13.0
241.13547	5.8
242.11813	3.8
243.12379	7.9
257.01767	2.5
258.16116	5.5
276.17252	4.3
315.18320	22.9
333.19324	22.3
345.19412	5.9
351.73764	2.4
363.20374	30.1
364.18710	44.0
365.18988	4.6
405.21384	4.6
435.22430	7.6
461.20779	2.9
479.21448	100.0
480.21771	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	480.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59076	1.8
59.01362	2.2
59.65137	1.5
64.85432	1.3
71.01391	2.1
73.04077	23.4
83.02513	5.8
85.04095	2.3
87.05633	3.3
98.22579	2.4
99.02014	4.8
99.05647	2.7
101.02470	1.7
109.04060	6.1
110.02492	3.8
111.17376	1.6
112.05164	5.7
113.03571	12.7
119.05037	1.8
123.05628	6.0
124.04112	1.6
125.03567	2.0
126.06744	10.7
127.05131	9.9
128.03552	1.8
130.06239	42.8
141.06711	2.3
142.06192	1.7
144.07802	62.3
147.04568	10.9
154.06189	3.2
155.58925	1.6
157.37308	1.6
158.09384	2.2
160.11745	1.5
164.07182	18.8
165.07707	1.6
174.08958	2.1
177.10330	6.6
183.08905	14.0
201.09991	9.3
203.08240	4.5
215.11487	2.6
221.09276	8.8
229.21648	2.5
234.12517	1.7
235.15744	1.8
248.14124	12.1
258.12167	5.3
270.12491	5.6
271.52029	1.8
292.12982	3.1
305.16229	12.4
331.17844	2.9
362.18326	6.8
400.09604	1.7
406.17218	17.8
418.17166	9.3
436.18427	15.1
437.19006	2.5
450.19940	49.6
451.20169	5.1
462.19867	16.0
480.20950	100.0
481.20929	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	480.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33900	0.4
50.56689	0.4
57.13318	0.4
58.84708	0.5
63.11324	0.4
65.60078	0.4
68.34677	0.4
69.93007	1.4
69.93342	0.5
78.95912	21.9
89.23722	0.4
107.00808	0.4
152.99590	2.3
154.84306	0.4
165.54524	0.4
168.04295	3.1
224.06950	8.9
242.08031	1.8
245.04337	0.8
253.21861	0.6
255.23326	100.0
256.23679	6.9
267.56741	0.4
283.25534	0.7
480.31012	20.6
481.31427	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	481.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90843	8.1
55.99388	6.5
59.01393	10.7
71.30827	10.7
80.35394	8.3
102.05618	64.8
119.87094	7.3
120.95643	6.9
127.67916	8.1
128.03543	100.0
128.26045	7.1
131.55714	8.5
134.87003	7.0
136.89432	6.5
146.04617	78.0
146.06136	40.7
162.05652	10.4
172.04036	17.0
190.05182	15.0
225.19661	6.4
240.93687	10.2
275.10394	8.4
293.13605	8.7
319.09274	39.9
323.99719	7.5
481.14709	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98874	1.7
57.03461	15.7
59.01387	31.8
61.98848	2.3
71.01400	16.8
71.32259	2.3
71.34270	1.8
72.99292	2.2
73.02995	1.7
85.02988	6.1
87.00869	1.6
89.02453	9.9
99.00927	2.9
99.04543	16.1
101.02472	12.2
113.02473	9.2
119.03522	2.1
122.06126	2.7
124.07722	5.8
125.02480	6.7
132.04587	7.4
133.81206	1.6
134.03836	1.9
136.07716	7.5
161.02441	1.9
161.04628	2.4
200.09572	6.6
212.09599	6.4
213.10207	3.0
214.11179	6.4
215.11908	32.8
216.12180	2.6
218.11842	2.1
219.10245	3.7
225.10265	2.6
226.11137	13.0
227.11920	68.2
228.12276	3.8
229.13446	24.7
230.13780	2.2
237.11336	2.2
239.11954	6.0
242.10767	2.5
243.11459	2.2
255.11322	3.0
257.12997	73.9
258.13339	4.0
259.10901	16.0
273.12479	2.5
275.14163	5.7
284.11676	4.3
285.12433	2.2
301.11969	56.8
302.12418	4.8
315.13544	10.4
319.13034	100.0
320.13321	5.4
337.18750	7.6
343.13010	12.4
361.13977	15.7
379.20001	2.0
421.16263	2.9
463.16541	2.5
481.18323	57.0
482.18726	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	481.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69424	1.1
57.03458	1.1
59.01387	6.8
71.01392	4.5
71.32161	1.8
89.02460	1.6
97.83427	1.0
101.02462	1.7
106.06609	1.6
113.02464	2.5
119.05021	1.5
122.06155	1.8
124.07681	4.5
125.02467	1.2
132.04582	7.7
136.07713	6.4
143.03500	1.1
146.06119	2.3
160.07738	1.1
161.02364	1.2
164.65178	1.0
175.11305	1.4
186.12529	1.0
189.06723	9.6
200.09583	2.3
212.09622	4.8
213.10393	1.9
214.11093	6.7
215.11913	12.7
216.12360	1.1
218.11841	3.5
224.09676	1.2
226.11092	6.0
227.11922	27.9
229.13463	22.0
230.13699	2.1
239.11879	3.1
240.08955	1.2
241.09715	1.3
242.10617	3.4
243.07852	1.9
243.11302	1.4
255.11447	3.7
257.10257	2.4
257.12976	49.9
258.13297	5.2
259.10864	3.9
273.12463	2.1
275.14145	5.9
284.11624	3.3
287.06757	3.9
297.12332	1.4
301.11987	16.1
315.13608	8.0
319.12997	100.0
320.13190	6.5
343.13022	11.0
361.14081	25.6
361.18683	1.9
362.14581	2.2
421.16180	2.2
481.13577	1.4
481.18289	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	481.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
57.03440	3.4
58.00587	2.8
59.01381	72.1
61.98832	41.9
69.03442	3.3
71.01384	73.8
71.33046	1.5
72.01721	0.8
72.99316	4.2
73.02950	21.8
75.00842	2.2
81.03459	2.4
83.01393	4.8
85.02958	11.7
87.00864	3.4
89.02448	100.0
90.02749	1.1
95.01378	2.9
97.02964	5.0
99.00887	33.5
99.04510	3.5
99.38950	0.8
101.02449	58.2
101.06084	1.6
109.02981	1.2
111.00909	1.8
113.02460	17.1
115.04001	5.6
119.03499	9.6
125.02461	14.5
127.04040	1.0
131.03503	17.2
133.02884	1.3
135.04532	1.0
141.09245	0.9
143.03487	5.0
145.04971	0.8
149.04564	64.2
150.04723	1.5
150.05724	1.7
161.02507	1.4
161.04578	10.2
172.30397	0.8
174.01657	1.0
179.05606	5.2
187.13382	2.4
191.05629	15.9
221.06717	4.4
233.06671	9.2
251.07751	5.9
262.28885	0.8
275.07788	1.1
283.87872	0.9
293.08774	6.1
311.09753	2.0
349.18704	16.2
350.18854	1.3
481.22913	45.7
482.23746	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
55.65445	0.7
55.78353	0.7
57.03443	3.3
58.00576	3.0
59.01382	75.5
60.20124	0.8
61.25984	0.7
61.98824	2.1
63.30407	0.9
68.91142	0.8
68.99805	0.9
69.03472	4.2
69.84130	4.0
71.01387	100.0
72.01716	1.1
72.99316	6.0
73.02953	30.4
75.00880	3.9
77.18119	0.7
81.03462	1.9
83.01395	6.8
83.37122	0.8
85.02957	22.8
86.00116	1.1
87.00878	20.5
89.02451	87.1
90.90380	0.8
95.01408	4.7
96.00906	0.9
97.02966	7.5
99.00887	40.1
99.04538	3.6
100.01201	1.0
101.02449	56.4
102.02764	1.1
107.72772	0.8
111.00897	2.6
112.98873	0.8
113.02455	21.1
115.00353	1.4
115.04031	6.6
115.80473	0.9
119.03511	6.8
119.99301	0.8
123.00764	1.0
125.02452	18.1
127.03996	1.5
129.01945	2.0
130.99864	1.1
131.03508	14.3
135.03006	2.1
139.62294	0.8
141.01936	1.4
141.09215	14.5
142.99905	2.7
143.03499	5.5
143.10786	2.9
143.70909	0.8
145.04977	1.3
149.04565	34.9
159.02982	3.4
161.04562	17.6
174.01694	2.6
174.68031	0.8
175.02493	5.6
179.05661	1.6
191.05626	12.7
221.06689	1.7
233.06627	14.8
245.09190	0.9
247.10901	1.6
251.07693	2.8
259.15552	4.8
293.08850	10.2
305.91245	1.0
337.17725	1.6
349.18689	48.5
350.19089	3.8
481.22952	86.4
482.23260	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
57.03447	7.4
58.00585	3.3
59.01382	76.0
60.97120	1.1
61.98832	8.4
69.68149	6.8
71.01383	100.0
72.99306	4.9
73.02953	22.9
75.00862	2.0
75.65511	1.1
83.01379	8.0
85.02956	36.8
87.00888	7.1
87.46461	1.2
89.02452	56.6
95.01411	7.6
97.02940	2.2
99.00894	8.9
99.04541	1.9
101.02448	83.2
102.02797	1.3
113.02457	43.7
113.06084	1.3
119.03509	26.4
125.02401	2.5
129.01935	1.6
129.96384	1.1
131.03458	1.8
143.03522	9.2
149.04622	1.7
149.06195	1.3
150.54247	1.1
159.02991	9.8
161.04564	50.6
179.05603	11.9
190.10013	1.7
243.13866	1.4
245.15379	2.8
286.15750	3.9
301.18146	16.0
319.19144	73.6
320.19498	5.4
454.27155	1.9
481.24448	44.1
482.24570	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	482.276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28602	100.0
73.75664	11.1
103.08942	11.3
109.90851	10.8
151.14273	11.2
167.86766	10.4
170.80635	13.7
193.12141	13.1
277.21701	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1147
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
57.03453	2.3
59.01382	1.7
61.98838	0.3
69.62142	1.5
71.01376	1.1
73.99923	0.2
81.03455	0.4
85.02965	0.4
86.38712	0.3
89.02483	0.5
89.03972	1.3
93.03477	0.2
95.05025	0.2
96.96024	0.7
96.96993	0.3
99.04533	3.1
101.02448	1.3
102.83762	0.2
105.03477	3.4
111.60930	0.3
113.02470	0.5
113.06019	0.3
123.04511	1.1
125.02451	0.5
128.02318	0.3
129.10312	0.3
133.02977	7.8
149.02467	0.8
160.04070	0.2
161.02490	0.4
161.04524	0.6
169.00824	0.2
176.01213	0.9
177.01941	100.0
178.02283	3.3
320.13367	0.3
321.06244	0.5
321.13577	0.4
339.07220	13.6
340.07538	1.1
381.08292	5.4
421.11340	0.7
471.75031	0.3
483.11453	1.0
483.18256	0.4
504.25754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.4
58.02968	5.5
59.01386	9.2
59.63653	3.2
60.47423	3.2
61.98839	84.5
69.13353	7.2
69.13754	26.0
71.01393	4.7
73.04070	7.0
89.38685	3.6
91.05566	3.7
93.68783	3.5
95.04959	3.3
98.02476	4.6
101.02438	4.6
115.05115	4.8
119.04995	3.5
129.10332	8.2
130.08705	5.2
147.04492	14.0
152.07257	4.4
161.02525	5.0
164.07195	38.4
168.11440	13.9
175.11298	3.7
186.12515	34.6
210.12485	23.5
221.09767	3.5
223.20691	3.8
233.16547	6.1
266.85199	3.8
277.15527	6.8
290.18750	10.6
294.24515	3.5
332.19891	4.0
376.18802	100.0
377.18924	7.7
420.21384	52.5
477.19809	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	483.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50397	0.3
69.94655	1.9
74.67824	0.4
77.66692	0.3
78.95915	11.6
86.29269	0.4
96.96963	0.6
129.10921	0.3
132.65416	0.4
152.99603	19.1
153.99907	0.4
170.51598	0.4
171.00662	1.2
196.62700	0.4
224.61465	0.4
227.03273	3.2
245.04305	1.3
251.15486	0.3
255.23326	100.0
256.23697	5.6
483.27325	26.5
484.27655	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	484.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
69.75777	8.8
71.01373	1.9
87.04516	2.2
96.00964	2.2
96.96053	3.1
114.05656	2.0
115.04023	100.0
116.04327	1.7
125.02454	16.6
127.05173	2.1
128.03552	3.9
133.02980	2.3
134.02544	2.1
135.04466	2.3
142.05116	17.2
152.03682	1.8
161.02451	5.8
167.67397	1.6
262.98718	3.3
341.08731	3.1
428.00574	2.5
466.50739	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	484.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
64.54648	0.2
69.18005	0.3
69.18344	2.0
79.08001	0.2
88.33659	0.2
98.21705	0.2
318.10724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93637	6.0
63.55867	5.9
69.41090	17.7
69.41499	25.9
78.64980	6.7
83.33939	5.1
86.06078	6.1
99.04520	14.3
116.30098	6.2
125.02440	9.2
128.03552	11.3
133.02954	27.0
143.03506	22.8
151.98302	6.2
161.02457	100.0
179.03493	27.3
198.48267	7.2
204.71820	6.1
262.98694	10.2
341.08835	42.8
486.26028	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	485.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	29.6
58.00589	1.1
59.01391	32.4
61.98845	1.8
71.01392	20.0
71.32233	1.9
72.99300	1.0
73.02959	10.7
73.04069	2.1
74.02502	5.2
79.05544	1.2
81.03484	2.7
83.01395	3.8
85.02953	4.3
87.05639	1.6
88.04053	1.8
89.01942	2.1
89.02463	19.7
95.01397	1.6
96.00938	2.5
96.96024	1.5
98.02525	1.3
99.04533	26.6
101.02456	23.7
109.02971	1.5
113.02460	9.6
113.03645	1.7
113.06103	1.2
115.08768	1.7
119.03522	8.3
123.04539	8.1
125.02464	11.0
126.02854	1.1
127.05144	2.1
128.03539	3.7
129.10342	3.0
130.08777	6.0
131.03563	1.9
132.02159	1.5
133.02982	32.9
135.04536	18.8
136.04814	1.1
141.05629	2.4
141.10352	1.2
143.03502	3.9
145.06216	1.2
149.04585	2.2
149.06139	1.5
153.05492	1.3
157.13477	2.9
161.02480	100.0
161.04529	43.5
161.07196	2.9
162.02831	4.0
162.04868	1.3
175.04063	1.3
177.01878	2.4
179.03523	17.8
179.05637	15.8
186.12521	1.8
189.06715	4.4
192.24332	1.0
203.03520	3.6
203.05669	3.1
203.08401	1.4
214.15623	3.2
221.06728	1.9
233.06689	4.8
237.64651	1.1
242.18816	1.6
243.80952	1.0
263.07748	19.9
323.09879	53.3
324.10199	2.3
341.08887	9.5
383.09918	8.2
423.12976	4.2
451.21463	1.3
468.24728	1.9
484.31354	2.9
485.12335	5.7
485.19189	2.1
485.26892	13.0
486.26151	3.4
486.28973	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	485.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07966	0.8
57.03450	12.7
59.01379	3.3
61.98817	4.1
70.62288	2.7
71.01397	2.1
87.00893	1.1
96.96059	1.1
99.04544	3.4
101.02438	2.3
113.02488	1.3
117.03490	1.1
130.08740	1.6
133.02957	1.9
137.02467	1.2
137.07289	1.6
137.65076	0.9
145.02959	2.9
161.02464	2.1
161.04565	1.2
163.04025	1.2
164.04799	90.9
165.05139	2.8
179.07144	100.0
180.07416	5.6
301.10638	1.0
306.96536	0.8
315.87036	0.8
323.11499	0.8
341.12405	12.5
342.12631	1.4
383.13455	3.5
423.16757	1.2
504.02982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
57.03436	1.5
58.00573	1.2
59.01385	35.5
69.16312	9.2
71.01382	22.0
72.99284	1.6
73.02939	4.2
83.01395	6.9
85.02962	6.6
85.21461	1.0
87.00884	3.2
89.02452	20.4
95.01395	1.3
97.14587	0.9
101.02454	27.0
103.26666	1.0
105.09348	1.0
113.02462	5.8
119.03509	7.9
130.06203	1.0
131.03531	2.4
133.02972	1.3
135.04454	1.2
137.38600	1.0
143.03535	1.4
145.07707	3.3
153.34529	1.2
160.06421	12.5
161.02490	2.4
161.04544	3.5
161.07220	81.3
162.07556	2.2
175.08766	28.8
176.09129	1.9
179.05595	2.3
185.10873	1.2
187.08752	5.3
189.06717	100.0
190.07047	4.1
201.10370	5.8
203.06465	2.0
203.08287	29.2
203.11900	5.8
204.08630	1.2
221.06630	4.0
229.09787	11.5
241.09865	2.2
274.27423	1.0
277.11914	2.1
305.11447	32.9
306.11771	1.9
323.12561	3.7
337.75919	1.2
457.17920	1.3
468.24149	1.1
485.17780	83.2
486.18048	8.5
486.25449	1.7
495.07309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16062	0.9
52.01489	0.9
57.03451	7.4
59.01385	9.3
61.98848	5.7
69.20532	1.3
71.01379	6.4
71.33313	1.4
73.02930	1.7
73.04054	1.3
74.02456	1.1
76.48817	1.0
78.95873	1.2
80.05080	1.1
82.02975	3.0
84.04555	1.6
85.02946	2.3
87.05634	1.2
88.04037	2.6
88.98811	7.7
89.02439	4.4
99.04533	15.3
99.05630	1.5
101.02457	3.7
101.07216	12.0
103.11082	1.1
108.41826	1.0
109.04053	5.0
110.02489	1.6
112.93739	1.1
113.02441	1.4
115.00409	1.4
125.02459	4.1
125.03562	3.2
126.06789	2.8
127.05151	22.3
128.03540	14.7
129.10338	5.2
130.08751	42.6
131.09035	1.4
133.02963	1.6
135.04533	4.2
139.08774	1.7
140.07185	3.3
141.10370	1.2
144.07776	6.4
145.02971	1.5
145.05040	2.1
145.06197	39.8
149.02483	1.6
161.02490	7.2
161.04552	2.3
164.04787	1.6
168.07799	1.7
168.09068	1.3
179.03542	2.8
179.07144	2.4
180.10379	2.5
186.08867	4.3
193.01434	2.1
197.12926	4.3
197.16516	1.4
199.18146	10.2
207.14990	2.1
222.12497	2.8
223.10910	2.2
224.17816	1.2
225.16035	2.0
241.11966	6.6
242.18797	2.0
243.17137	4.0
310.21384	1.8
312.26443	5.6
315.76266	1.0
323.07465	1.6
337.26080	3.3
354.20340	4.9
355.27124	9.7
419.19354	7.3
420.19431	1.3
423.29575	2.0
441.23593	2.8
449.20200	2.6
467.28769	18.7
468.29230	2.1
485.29846	100.0
486.30304	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	485.3275
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
58.48302	0.4
70.36411	1.7
71.05021	2.4
102.01313	0.5
212.55789	0.5
271.14780	0.5
375.30240	0.6
393.31622	1.3
421.31284	0.9
423.32791	1.4
425.30386	1.7
427.45230	0.6
437.30804	1.6
441.33820	0.8
467.31763	14.8
468.32150	1.9
485.32739	100.0
486.33133	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	10.5
59.01379	14.4
61.98822	23.8
62.16660	5.9
69.29678	18.5
69.30104	23.5
71.01379	16.9
73.02944	7.3
73.04076	6.6
74.02482	9.4
85.02897	8.0
89.02473	9.1
89.82045	6.8
93.10463	5.3
99.04523	6.5
101.02454	14.1
113.02441	7.0
123.04542	5.4
129.10361	6.4
133.02956	37.2
135.04538	45.2
141.40802	5.8
145.02960	23.1
161.02446	100.0
177.00221	5.1
179.03532	25.0
180.06725	8.3
181.05037	5.8
189.97333	6.4
209.11771	11.9
281.13950	23.0
305.13919	7.3
428.87616	5.4
486.27628	9.6
487.12308	10.0
487.28986	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	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73340	0.3
61.98833	100.0
71.01418	0.3
82.36094	0.3
110.09860	0.3
125.30728	0.3
125.95344	0.3
144.84592	0.3
168.44261	0.3
178.20042	0.3
323.48611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.5
69.06415	1.2
69.06726	10.2
71.01369	2.9
74.02473	2.0
74.05546	1.0
80.84612	1.1
82.02999	2.1
88.04043	31.3
89.02430	2.6
95.27402	0.9
98.22475	1.9
100.04050	2.7
101.02437	2.6
101.07213	3.1
109.04097	1.3
113.02450	1.6
113.03535	1.0
115.08738	1.5
116.07191	3.1
117.03474	12.5
119.03497	1.3
119.05036	14.3
122.04917	1.6
126.04317	1.2
127.05162	11.7
128.03568	8.7
129.10336	8.7
130.08742	3.2
139.08801	1.8
140.07201	2.0
141.06677	1.0
141.10364	1.5
143.11951	8.1
145.02974	43.3
145.06160	4.8
153.10381	1.1
155.08238	3.0
158.68407	0.9
161.02499	1.2
161.04630	1.4
161.06061	1.5
163.04034	25.4
165.05452	3.1
165.10300	2.7
166.08722	1.6
169.09816	2.5
179.05736	1.3
179.11908	10.5
180.10309	4.0
186.12505	1.3
187.03996	3.9
187.10873	7.5
196.14600	1.6
197.12881	1.3
200.14058	3.5
205.05121	2.0
209.09331	1.6
214.15636	3.1
222.10487	1.6
222.12500	20.3
223.10854	3.7
223.12843	1.2
240.13536	13.3
242.18639	1.2
244.13040	1.8
254.15202	0.9
258.14642	12.8
297.15744	2.5
298.14255	1.1
316.15048	1.2
338.13672	2.4
342.27530	1.1
353.21902	2.1
357.21454	3.0
397.20889	4.1
468.24640	18.7
469.25064	2.1
486.25693	100.0
487.14682	1.1
487.26016	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	486.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43395	3.0
52.27407	2.7
57.03443	6.8
58.02948	3.2
59.01384	12.1
70.02972	10.1
71.01380	6.7
72.00897	3.0
73.04066	7.3
74.02479	74.6
82.02959	8.1
85.13906	2.8
87.05643	38.0
88.04056	20.4
89.02454	4.6
96.00916	41.3
96.96040	4.2
98.02488	27.0
99.00931	3.1
99.04524	8.2
101.02437	3.7
104.03539	4.2
109.01718	8.7
109.04132	3.9
110.02489	12.5
111.00933	3.2
112.02742	3.6
113.02404	3.1
113.03588	9.5
114.01965	10.1
114.05607	18.3
115.08742	4.1
116.07188	4.9
118.99664	3.3
119.03487	3.6
124.04050	6.7
125.02434	4.8
126.09253	3.8
127.05149	25.7
128.03543	37.2
129.10335	10.9
130.08742	44.8
135.04562	3.4
138.09225	7.2
139.08792	12.3
140.07176	10.7
141.06728	5.0
143.11916	19.4
145.06158	16.5
146.04677	3.7
153.02975	3.2
153.10370	4.5
155.08305	5.4
161.02409	6.4
165.10321	4.9
166.08719	20.1
167.04637	5.9
167.08284	3.1
168.09100	4.3
169.09821	12.4
172.10938	7.9
179.05411	4.1
180.10349	3.4
181.08719	7.5
184.07269	11.0
186.12483	8.5
187.10870	17.9
197.16479	4.3
199.18216	8.3
209.09270	15.9
223.10858	7.3
224.48943	3.2
225.16107	24.8
228.17308	3.3
246.44910	3.0
256.20218	5.5
265.04922	3.1
277.84818	3.6
323.16116	12.6
336.19229	12.2
340.18875	9.0
347.01352	3.6
354.20300	16.5
358.20544	3.7
380.18240	100.0
381.18634	10.3
392.22894	3.8
442.21912	4.8
442.27228	4.6
451.21701	21.1
452.20706	11.8
456.28256	10.0
468.17865	4.7
468.24512	95.8
469.24359	15.7
486.24722	53.6
487.24670	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	486.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01368	2.1
61.98829	1.7
69.08879	3.7
69.09303	5.0
70.02977	2.9
71.01002	0.8
71.01381	2.2
73.04066	2.2
74.02483	1.5
79.67565	0.7
82.02990	0.9
84.04568	1.2
87.05624	1.1
95.02550	1.3
96.00921	100.0
97.01274	1.5
97.04095	1.0
98.02505	3.2
99.04526	5.3
101.02475	1.7
104.37443	0.9
109.01746	1.3
111.02017	19.8
113.02493	1.2
113.02797	1.1
113.03588	8.6
114.01975	4.2
121.04049	0.9
123.03292	1.4
125.02509	1.0
127.05161	2.8
128.03568	4.8
129.10341	6.5
130.08746	7.7
131.04669	2.2
135.04503	1.7
138.09256	2.5
139.08789	2.5
140.07234	1.8
141.10382	1.0
145.02956	1.3
151.08807	0.9
155.08290	5.6
161.02449	1.8
164.04721	1.0
164.09554	1.5
165.10352	2.7
166.08754	11.3
169.09903	0.8
172.10948	1.5
179.03488	1.3
179.11806	0.8
181.08720	1.0
182.15689	0.8
186.12465	1.2
197.12994	0.9
198.42828	0.7
207.15073	3.6
209.09332	2.7
223.10962	1.1
224.17690	1.8
225.16107	19.9
226.11954	1.9
227.07062	1.0
233.16515	1.4
241.11897	1.0
242.18729	6.3
260.17740	2.0
261.16132	1.2
278.18839	5.5
279.17154	0.9
304.16647	10.6
321.19476	3.2
322.17697	17.5
322.21201	1.1
323.16119	2.9
339.16141	1.8
339.20377	34.5
340.20612	2.6
343.13754	1.0
354.20535	2.1
380.18295	0.9
419.19394	14.1
420.19760	1.4
436.22058	21.4
437.22021	2.5
442.26926	2.0
444.32425	0.9
451.21872	1.8
454.23172	1.8
468.24283	4.3
469.23447	1.2
486.25269	11.6
487.25574	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	487.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01411	1.0
51.19053	1.0
59.01381	6.6
69.03793	9.5
71.01374	6.5
77.74676	1.0
82.05222	0.9
85.02976	1.1
89.02460	2.6
99.04509	2.0
101.02470	3.2
104.06004	1.0
107.05019	1.2
113.02432	2.2
114.05647	1.7
117.03477	25.3
119.05033	9.0
124.43413	1.1
133.02954	28.8
134.03699	4.6
135.04533	69.8
136.04814	1.4
137.02484	2.9
145.02965	50.3
148.05238	1.7
149.06082	7.7
159.04512	2.2
161.02452	100.0
162.02797	3.5
163.04044	6.0
175.03987	1.6
177.05598	17.0
179.03503	93.6
180.03850	3.4
187.04088	1.7
203.03529	3.7
217.60994	1.0
221.04533	30.5
222.04907	1.2
233.04613	1.5
234.05206	1.0
251.05614	39.6
251.69255	1.0
252.05896	1.3
280.05884	1.3
281.06680	50.0
282.07169	2.1
307.08307	1.3
323.07721	50.7
324.08112	3.3
341.08789	52.1
342.09186	2.9
427.10446	1.4
487.12506	14.0
487.29929	1.3
488.12265	1.5
513.10437	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	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91787	0.5
59.01389	4.7
66.20172	0.6
66.28621	0.5
69.03470	0.6
70.11816	0.5
70.51664	1.6
71.01388	6.0
73.02940	1.7
83.01390	0.7
85.02959	2.1
87.00887	0.5
88.51256	0.5
89.02457	3.8
95.01393	0.8
97.02958	1.1
101.02453	4.8
113.02480	3.7
117.03483	28.5
118.03815	1.1
118.34460	0.5
119.03545	1.7
119.05042	31.0
120.05370	1.5
124.19214	0.5
125.02400	0.6
127.05167	0.7
133.06674	1.3
143.03531	1.4
145.02972	100.0
146.03281	4.1
159.04549	0.7
161.04585	2.3
161.06123	3.8
163.04031	53.5
164.04372	1.7
179.05629	1.3
185.06158	0.7
187.04045	4.6
189.62494	0.6
205.05096	4.5
205.36647	0.5
221.06670	1.8
229.05116	1.5
245.06770	1.1
263.07809	1.3
323.09763	0.7
435.40616	0.6
487.14505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
59.01382	6.3
64.55480	0.4
67.21813	0.4
69.07327	0.4
69.34499	2.9
71.01386	6.3
72.26528	0.4
73.02948	2.5
83.01401	1.3
84.21531	0.5
84.33434	0.4
85.02953	2.2
87.00896	0.6
88.79111	0.5
89.02448	3.1
97.02990	0.7
98.21812	0.9
99.00926	0.5
101.02450	6.7
113.02456	2.3
117.03474	32.1
118.03759	0.5
119.03536	2.0
119.05033	30.9
120.05357	1.3
131.03490	0.5
133.06567	1.3
143.03535	1.5
145.02965	100.0
146.03291	4.1
159.04506	1.3
161.04576	4.0
161.06084	3.0
163.04021	56.9
164.04361	2.4
179.05609	2.4
187.04027	4.5
205.05045	4.5
206.05463	0.6
217.05154	0.5
221.06740	2.0
229.05090	0.8
232.18532	0.5
240.32367	0.5
245.06752	1.3
263.07672	1.4
323.09930	0.8
487.14825	1.0
487.25223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	100.0
58.03809	1.6
59.01389	87.8
59.18435	1.4
61.32820	1.4
61.98836	1.9
69.03468	1.6
70.32467	5.1
71.01397	37.9
72.99319	2.2
73.02957	37.1
79.05544	3.4
81.03445	7.0
83.01403	12.2
85.02983	6.9
87.00875	1.8
89.02457	23.2
95.01398	2.2
95.05070	2.3
98.22466	1.9
98.68422	1.6
99.04534	97.1
101.02457	58.0
101.03120	3.2
110.45542	1.7
113.02464	23.4
113.06119	3.0
116.75941	1.5
119.03500	9.6
123.04549	29.1
125.02468	48.7
129.35861	1.5
130.08743	2.1
130.66632	1.6
131.03537	4.8
135.04567	3.4
141.05565	3.4
143.03511	8.6
149.04604	8.4
153.05591	5.5
161.04582	14.8
179.05602	4.9
221.06624	2.3
445.97116	1.5
461.24240	1.6
487.22131	5.6
488.22870	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	487.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00004	1.4
57.03451	53.2
59.01381	100.0
61.98819	7.3
65.63491	1.3
69.88232	3.4
69.88647	3.7
71.01381	22.8
73.02939	4.5
73.04070	2.2
74.02464	3.8
83.01393	3.9
85.02960	5.7
89.02455	19.9
95.01369	1.3
95.79179	1.4
96.00964	1.7
99.00932	1.6
99.04526	67.8
101.02448	22.2
111.86534	1.3
113.02428	9.0
119.03510	5.2
119.05006	3.4
125.02455	38.6
127.05123	3.6
127.68685	1.4
128.03539	5.8
130.06265	1.6
130.08769	9.3
133.02956	5.4
135.04518	7.6
137.02417	1.3
142.05264	1.4
143.03487	2.9
143.11919	3.3
143.62057	1.4
145.02962	2.8
149.04608	1.6
161.02443	16.4
161.04553	4.2
163.04013	3.3
164.04828	2.4
169.09956	1.3
172.10928	2.1
179.03476	6.1
179.05775	2.6
179.07135	3.0
181.79840	1.4
184.07117	1.6
323.07712	3.6
325.16672	1.6
343.17621	14.0
344.17990	1.7
354.20279	2.1
385.18597	6.3
414.67224	1.6
457.28677	6.1
465.71490	5.6
487.22797	2.8
487.29788	9.3
488.25290	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	487.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.1
59.01381	9.5
61.98831	3.9
62.58536	1.8
69.24500	15.2
70.02989	5.1
71.01377	7.2
73.02941	2.5
73.04082	3.1
74.02480	3.5
75.00857	2.3
77.24558	2.0
78.98016	1.7
80.96531	6.3
82.02999	2.8
84.04543	6.1
87.05626	3.2
88.04057	2.6
89.02469	2.9
93.06940	1.9
95.02506	2.7
96.00914	16.9
98.02499	13.6
99.04530	7.7
101.02435	5.8
102.05618	30.8
105.57118	1.9
107.04992	1.9
109.01714	2.0
113.02409	2.1
113.03587	11.0
114.01974	5.5
115.00345	1.7
116.07230	2.2
119.05046	3.5
125.02440	4.4
127.05156	3.5
127.65262	1.7
128.03554	100.0
129.03938	2.5
129.10345	6.1
130.08746	22.3
131.04623	10.8
135.04546	4.8
138.09290	2.7
139.08781	6.0
140.07159	3.3
143.11850	2.3
146.04597	21.1
155.08287	11.1
161.02473	5.7
166.08714	7.3
167.71205	2.1
171.15030	5.0
179.03488	2.7
180.10269	2.8
181.08745	6.0
186.12480	2.3
194.02887	2.4
197.12994	4.3
199.18327	1.7
202.30960	2.0
207.14955	2.1
208.51978	1.7
209.09193	3.3
215.14049	5.4
225.16051	5.7
235.18262	2.6
259.13083	1.9
261.16107	2.7
279.17245	2.7
323.16083	17.6
340.18869	12.6
354.20407	6.1
358.19901	8.2
372.21353	4.6
452.20419	50.5
452.26273	2.5
453.20688	3.3
469.23065	32.4
470.21683	8.0
487.14999	7.2
487.24100	49.7
488.25333	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17785	1.7
59.01372	4.5
68.07664	2.0
69.50880	10.9
70.02976	6.7
71.01389	15.5
72.27277	1.8
82.02999	4.4
82.06620	2.9
84.04547	5.8
87.05630	6.2
88.04050	5.4
89.02467	2.9
95.02525	2.7
96.00922	17.2
98.02480	9.0
98.21789	2.2
100.04085	2.2
101.02455	8.6
101.07214	6.4
102.05622	41.6
109.01710	3.5
109.04081	2.6
113.03605	17.0
114.01954	4.1
115.00378	8.5
115.08781	2.1
121.04083	2.4
121.92325	2.5
127.05145	15.2
128.03557	100.0
129.03896	3.1
129.10387	11.0
130.08766	20.2
131.04634	16.9
132.03024	10.6
135.04497	2.5
137.07262	2.0
138.05586	1.9
138.09232	4.7
139.08794	7.2
140.07162	7.4
145.02966	3.3
145.06200	7.8
146.04610	29.1
155.08308	13.6
155.14162	2.4
161.02451	2.1
163.04108	3.1
164.09602	4.2
166.08722	14.5
171.15062	4.8
173.07176	2.0
175.68367	2.0
180.10347	4.9
197.12975	5.7
199.18166	3.6
207.15050	14.0
209.09326	2.7
215.13959	6.1
223.10857	6.0
224.17697	3.4
225.16069	6.3
235.18146	2.4
240.13483	3.3
241.12030	8.5
242.18787	4.6
243.17097	3.9
261.16113	4.8
279.17145	2.5
323.16080	14.9
335.20856	5.8
340.18741	12.4
341.16962	3.2
353.22031	8.2
354.20221	3.8
357.21548	6.3
358.19907	8.2
371.22891	11.3
372.21341	20.6
408.21625	2.1
452.20392	54.1
453.21014	4.5
469.23047	37.0
470.21613	10.7
487.24115	93.9
488.24588	6.2
513.75073	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	487.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44349	1.0
57.03434	2.1
59.01381	3.0
61.02729	0.9
61.98829	2.3
64.70347	0.8
69.33511	5.0
69.33946	2.5
71.01384	2.6
80.02686	1.1
81.03466	1.5
83.05019	6.2
84.02171	1.0
85.02946	1.4
86.86284	0.9
89.02451	1.1
90.82888	1.0
99.04489	1.7
101.02438	2.5
103.27663	1.0
109.06630	1.1
113.02424	2.5
127.07708	1.2
134.23338	1.0
162.77065	0.8
163.11305	5.4
165.12851	2.9
181.12433	1.0
185.11844	1.8
187.75548	1.0
191.10742	1.3
197.11800	2.1
207.10170	1.4
209.11835	100.0
210.12119	3.4
227.12886	21.6
228.13177	1.0
240.25266	1.0
245.19000	1.4
289.18137	7.4
307.15768	0.7
307.19159	18.1
325.20181	12.8
326.20441	1.3
389.18158	35.0
390.18201	2.1
469.24384	3.8
487.25430	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	487.3437
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.20995	0.8
59.98458	0.8
61.98833	1.0
70.05880	2.1
87.16123	0.8
93.93106	0.8
95.51173	0.8
98.22559	1.6
117.70509	0.8
129.45384	0.8
133.16614	0.8
146.37569	0.8
161.51970	0.9
164.90617	1.0
487.34348	100.0
488.34805	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33449	1.1
61.19665	1.2
61.41923	1.3
66.28506	1.2
70.45071	1.3
71.41077	2.1
80.64001	1.3
91.73278	1.3
97.04542	1.3
100.79982	1.2
104.92052	1.4
115.95441	1.2
155.88240	1.2
286.44562	1.7
397.31805	1.4
409.11682	1.7
409.31387	1.8
487.34351	100.0
488.34738	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	487.343
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.77872	0.5
51.99306	0.6
58.00585	1.1
58.19332	0.6
59.78131	0.6
61.93128	0.5
70.16421	2.1
70.16797	1.1
70.97850	0.6
71.05019	1.9
126.38871	0.5
138.85291	0.6
265.33630	0.6
289.18600	0.6
427.32190	1.8
435.50314	0.6
467.31750	1.2
469.33221	12.1
470.33374	1.4
487.34320	100.0
488.27682	1.0
488.34616	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	488.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87285	2.4
59.01381	3.1
71.30777	5.3
74.02433	3.9
87.92529	3.9
102.05617	42.3
111.00890	5.1
128.03545	23.7
145.06178	5.6
146.04625	100.0
146.08334	3.9
248.87981	5.7
272.83075	3.0
288.91052	12.7
290.89191	5.8
467.28464	2.9
504.50250	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	488.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13406	1.9
54.99234	1.8
55.79268	2.0
59.01382	48.0
60.01712	2.4
61.98807	5.9
69.65662	9.2
69.66090	3.9
70.02982	14.7
71.01389	35.3
72.99279	4.7
74.02448	6.8
82.02946	3.1
82.06544	2.0
87.05604	6.1
88.03551	3.0
88.04049	53.5
95.02467	4.2
96.00340	3.6
96.00919	68.1
98.02469	18.9
99.00883	3.4
101.07197	5.2
109.01670	5.3
109.04089	2.7
111.01987	3.6
112.07648	3.1
113.03590	19.4
114.01981	9.9
115.00387	45.1
115.08771	2.8
119.05001	3.9
123.03207	6.8
124.03938	2.9
125.02389	6.1
127.02455	1.8
127.05142	11.6
128.03488	8.3
129.10388	16.9
130.08766	22.2
131.04587	6.4
132.02113	2.9
132.03036	38.7
134.04677	8.2
138.09187	5.6
139.08693	8.4
140.07152	2.9
143.11902	3.1
144.07779	2.5
144.11356	3.3
145.06114	9.1
145.09801	3.6
153.10280	3.7
154.09827	4.3
155.08276	21.6
155.11887	4.0
159.01451	8.3
160.01604	5.1
163.03955	5.0
164.09540	3.1
166.08723	5.6
174.99174	7.4
180.11359	6.8
181.09833	35.6
183.11266	2.7
187.00914	5.8
187.10785	2.3
188.01062	3.0
201.02576	23.0
201.12415	11.4
202.02736	15.0
202.98773	22.1
203.02174	12.5
203.98289	3.1
204.02731	2.2
208.99413	3.7
211.07571	4.2
212.97731	2.6
214.19041	2.7
217.00258	5.9
222.16121	11.5
224.10257	7.1
227.10272	3.1
239.18738	2.6
240.14876	2.4
240.17197	48.1
248.17412	3.4
250.19109	5.6
251.17519	3.0
257.19821	15.7
258.18134	4.3
275.18634	6.8
276.17203	6.2
276.29993	2.1
293.19806	16.1
294.18115	6.1
310.22415	2.6
319.17728	23.3
336.20374	4.8
337.18887	25.1
338.17206	40.8
339.17365	3.4
344.99628	6.0
345.03479	6.4
345.99680	7.2
346.03702	5.6
354.17233	3.0
354.21463	46.5
355.19736	45.2
356.18460	4.4
372.22372	8.0
373.17072	2.4
373.20914	30.8
409.20975	13.9
426.23218	7.2
428.08643	4.1
444.24670	11.9
452.21106	3.7
453.19922	64.6
454.20035	6.3
470.16406	3.8
470.22595	54.4
471.21359	13.6
488.23334	100.0
489.13568	3.3
489.23502	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	488.925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50377	1.5
69.03439	2.1
69.55585	6.6
69.56015	3.3
71.01392	2.6
88.04039	3.1
96.00919	1.6
97.02966	4.0
98.22561	1.7
99.04521	10.1
102.94400	3.2
115.00382	2.3
125.02460	10.4
128.03532	2.6
133.01424	2.3
143.03522	14.0
162.98039	8.0
180.11562	1.7
180.99109	86.9
187.02489	2.9
205.48224	1.7
224.98128	6.6
240.17230	2.2
309.89307	1.6
316.98468	1.7
318.90292	2.9
334.98364	2.0
355.20163	2.0
372.95108	2.7
374.96622	21.9
388.94446	16.0
400.94501	100.0
401.94894	5.7
418.95319	17.5
419.95297	1.9
432.93613	2.3
444.93356	6.7
453.19678	3.1
462.93674	2.7
470.22842	1.8
479.09329	1.7
488.24017	3.8
489.24063	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1047
Annotation	Pectolinarigenin 7-glucuronide
Peak:m/z	Relative Intensity
57.03445	2.9
58.34800	1.1
59.01389	15.2
61.98835	1.3
65.00335	2.4
66.35320	0.9
71.01395	17.0
71.04404	1.6
71.04732	1.7
72.33167	1.1
72.99298	2.4
73.02934	1.8
75.00886	6.2
83.01421	1.1
84.02146	1.3
85.02964	27.7
87.00881	5.2
87.14918	1.0
89.02460	4.8
90.27817	1.0
95.01391	6.3
99.00895	9.2
99.04540	1.2
101.02457	3.5
103.00400	3.5
111.00886	1.4
113.02465	38.2
114.32236	1.0
115.00391	2.6
117.01950	3.0
136.98805	7.0
152.01196	3.1
161.02495	1.8
164.98305	12.7
171.10255	1.4
175.02522	6.1
180.00685	3.9
183.04510	2.5
185.02489	2.2
209.11821	3.2
210.12341	1.3
211.03978	3.3
216.22765	1.3
255.03047	14.8
269.04520	3.3
283.02509	85.4
284.02890	6.1
297.04123	2.6
298.04858	37.0
299.05310	2.8
313.07205	100.0
314.07556	8.7
327.21866	2.9
390.18622	1.5
489.26859	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	489.1402
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
51.91298	2.1
59.01382	15.9
69.29504	18.5
71.01376	12.6
73.01798	2.4
73.45190	2.1
83.01380	2.9
87.00892	2.4
89.02460	12.3
93.03461	18.0
98.21786	4.5
101.02462	7.4
113.02470	8.1
117.03492	15.8
119.05029	100.0
120.05328	3.5
128.03551	2.6
132.05833	3.1
133.06593	5.0
135.04494	2.4
143.05006	11.7
145.01878	5.2
145.02959	63.6
145.06578	5.0
146.03276	7.4
159.04530	3.6
161.06065	8.4
163.04012	58.8
164.04333	4.0
175.67816	2.5
187.04008	8.5
205.05042	8.7
210.06831	7.3
211.07646	42.6
222.06926	3.3
223.07663	63.5
224.08034	5.1
235.07736	4.3
237.09215	45.7
238.09937	3.3
239.10715	11.6
250.06755	2.5
253.08737	8.0
265.08911	18.7
279.57239	2.4
283.09821	18.6
309.07605	3.5
325.09998	10.2
327.08737	89.7
327.12720	4.4
328.09140	7.3
369.09787	18.0
374.45761	2.4
489.13852	3.8
505.49725	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	489.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30579	2.9
59.01371	3.8
69.11478	8.5
69.11887	23.4
80.15278	3.3
98.22473	4.7
106.78414	2.8
164.09991	3.0
165.12808	8.7
175.82222	3.0
197.02321	4.7
223.42447	3.1
224.57521	3.0
247.20805	7.3
291.19693	100.0
292.20081	6.8
346.96490	3.4
405.96506	3.7
489.22507	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20438	1.0
57.03455	100.0
58.00612	1.1
58.03782	1.4
59.01388	99.5
60.01738	1.2
61.98826	1.9
71.01389	23.5
72.99317	1.3
73.02956	10.1
73.27486	1.0
81.03464	2.0
83.01387	3.6
85.02953	4.5
87.00878	2.2
89.02451	22.6
95.01408	2.5
96.00930	1.0
99.04531	96.3
99.54840	0.9
100.04881	3.3
101.01807	1.9
101.02460	35.0
101.03123	1.8
113.02475	9.3
119.03522	7.9
123.04533	3.5
125.01529	1.7
125.02460	33.5
126.02811	1.0
130.08765	1.7
131.03508	1.0
143.03513	5.2
149.04587	1.4
161.04575	6.4
179.05630	4.5
193.10141	0.9
227.03503	1.5
229.25981	0.9
238.80406	0.9
255.02898	2.9
265.95615	0.9
277.08508	1.0
284.03302	4.5
285.04034	4.8
285.54135	0.9
345.19296	7.9
387.20319	5.6
427.23535	1.9
489.10382	3.0
489.23163	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	489.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25193	0.7
57.03432	2.1
59.01133	0.8
59.01382	11.4
66.03474	1.1
71.01391	8.6
71.02509	4.0
71.32381	0.9
71.32764	1.1
72.00900	1.7
73.02932	0.8
75.00875	1.1
78.38329	0.8
82.02988	1.8
84.04541	2.0
85.02911	0.9
89.02460	6.7
91.05503	0.9
93.03452	4.6
98.06143	1.6
99.00887	0.8
99.04518	1.5
101.02452	4.2
103.00392	0.9
109.04061	0.8
110.06118	2.5
111.02009	5.5
113.02433	3.0
113.07251	1.2
114.05653	4.9
116.07180	20.0
117.07516	0.9
119.03504	2.9
119.05010	3.8
122.09775	1.2
125.02439	2.0
125.03405	0.8
127.05132	6.7
127.08803	1.5
128.03549	36.4
129.10353	1.2
133.29723	0.7
135.04486	0.8
137.07208	0.9
139.05121	2.4
141.10382	4.1
142.05136	1.2
143.05025	2.6
145.02919	0.9
146.06122	1.6
147.04535	8.3
153.06679	1.5
161.04585	0.9
163.04022	2.9
163.08784	2.6
164.07161	21.8
166.08813	4.3
167.11850	2.5
169.13467	21.3
170.09349	1.2
170.13902	1.0
178.81203	0.7
179.05669	1.4
181.09908	1.4
183.11360	1.8
190.02930	0.8
203.08287	1.3
210.06767	1.7
211.07646	25.7
212.08014	1.2
213.12448	98.3
214.12808	3.3
223.07645	1.4
225.08812	2.6
226.15562	0.8
231.11421	1.3
235.07683	1.1
237.09216	2.2
239.10558	1.1
257.09341	2.2
265.08749	3.4
275.10403	9.4
280.16656	1.3
283.09827	1.8
293.11523	0.9
300.13580	1.6
309.07663	1.2
324.15842	1.1
327.08731	12.0
328.09207	1.1
445.24911	0.8
471.22629	4.5
489.23581	100.0
490.23734	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.31487	0.3
57.03444	1.9
57.92341	0.3
58.00586	0.4
59.01097	0.6
59.01381	10.8
61.98837	0.5
67.40073	0.4
69.03444	0.8
69.15913	0.4
70.69504	1.0
71.01386	9.6
71.05012	0.4
72.99315	0.7
73.02938	2.1
79.93467	0.3
80.77110	0.4
83.01383	0.8
83.05008	0.8
85.02952	5.1
87.00889	0.6
89.02451	4.8
95.01396	0.8
97.03011	0.5
97.06581	2.1
99.00867	0.4
99.04529	1.2
99.08136	0.3
101.02451	4.9
113.02448	2.8
119.03491	1.5
125.02450	0.8
125.09737	1.5
127.11299	2.8
128.03545	0.3
133.02902	0.4
135.04616	0.4
137.09769	0.6
145.03029	0.4
148.90887	0.3
155.10793	6.3
155.14392	0.7
161.02454	1.5
163.11176	0.4
165.12865	1.0
167.14418	1.2
171.10274	10.6
172.10663	0.3
179.03535	0.5
183.13890	1.8
185.11832	1.2
193.12430	0.9
197.11838	0.9
203.10793	0.3
209.11859	2.4
211.11433	0.6
211.13412	11.2
213.14934	0.7
217.15889	0.4
221.11839	0.8
222.08170	0.4
227.12941	0.9
229.14445	30.1
230.14778	1.3
239.12849	0.8
247.20671	1.2
257.14066	0.7
273.18790	0.4
291.19693	6.6
308.84036	0.3
309.20755	5.6
310.20737	0.4
311.22302	2.1
315.93433	0.4
327.21777	7.8
328.22217	0.5
336.32092	0.4
343.08939	0.4
391.19754	3.5
406.53214	0.4
411.46130	0.4
471.25937	0.9
489.27063	100.0
490.27417	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	489.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76263	0.6
55.01879	1.1
57.03438	2.0
58.00581	1.3
59.01383	32.7
60.67609	0.5
61.98840	2.8
69.56051	3.5
71.01387	19.2
72.99299	1.8
73.02904	0.7
83.01393	1.6
83.05027	0.8
85.02960	4.8
85.44482	0.5
87.00885	1.2
89.02450	12.6
95.01387	2.1
95.05024	0.5
99.00861	0.8
99.04504	0.9
101.02457	9.8
113.02450	4.9
119.03512	4.9
125.02443	0.5
125.09748	0.7
144.64529	0.5
149.04590	0.8
163.11253	0.9
165.12833	2.1
171.10303	2.0
183.13766	1.1
211.13390	2.4
227.12904	0.6
229.14478	2.5
247.20726	1.6
254.46085	0.6
291.19684	13.9
309.20679	9.2
327.21692	3.8
352.07465	0.5
369.10995	1.5
378.69107	0.6
383.62674	0.6
412.79510	0.7
471.25919	1.0
489.27078	100.0
490.27466	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	489.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
59.01375	12.6
61.98824	8.0
69.83244	5.0
69.83649	8.2
71.01385	9.8
83.01422	1.7
83.05021	1.9
85.02952	5.6
89.02447	4.8
97.06612	5.4
99.04520	4.5
101.02454	8.1
109.92686	1.9
113.02440	3.6
121.02967	6.4
125.02463	4.1
165.12912	2.3
171.10268	6.3
183.10269	4.2
183.13937	4.5
193.12474	2.4
209.11751	2.4
211.13402	24.1
221.11845	4.3
229.14485	19.9
239.13043	2.0
291.19733	4.8
309.20383	2.6
327.21771	100.0
328.22125	8.2
348.32312	2.1
351.21732	3.3
489.20755	2.8
489.27328	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43484	0.2
55.01878	0.4
55.95262	0.2
57.03432	0.2
59.01383	4.8
60.42054	0.2
61.98802	0.2
66.81869	0.2
70.89308	0.5
71.01389	3.5
71.89919	0.2
73.01756	0.2
73.02953	0.8
78.95901	0.8
83.01382	0.3
85.02957	1.1
87.00863	0.5
89.02456	3.2
99.00900	0.4
101.02454	3.7
113.02454	1.2
119.03503	0.8
125.02457	0.4
133.05077	0.4
143.03539	0.3
152.99597	1.6
161.04584	1.3
177.45824	0.2
179.05664	0.4
210.86946	0.2
235.08269	1.0
253.09315	11.6
253.21736	100.0
254.09735	0.4
254.22072	6.9
254.24753	0.4
258.56940	0.2
422.07477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	32.8
59.01385	29.5
61.98838	100.0
69.05450	32.6
69.05855	7.1
71.01385	18.9
73.02943	8.4
85.02957	5.0
88.04019	5.6
89.02440	11.5
91.50484	3.0
92.47134	3.0
96.00944	4.6
98.02520	3.3
98.21706	6.0
99.04536	32.1
101.02445	14.9
113.02444	8.2
119.03615	3.3
120.01269	10.6
124.59657	4.0
125.02459	13.7
130.08759	7.4
135.04555	5.4
135.23599	3.2
149.04543	4.5
156.46321	3.8
157.59773	2.9
161.02531	3.8
161.04573	3.9
164.07178	5.1
227.20326	3.1
343.26566	3.5
378.48123	3.4
427.25687	6.6
456.21521	11.9
473.24277	5.9
490.26901	12.3
491.28925	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	490.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84351	1.8
53.61706	2.0
53.76357	1.9
57.03447	4.5
59.01382	5.9
60.99317	17.4
61.98830	5.9
69.11582	2.2
69.11885	20.2
71.01393	5.4
85.02916	2.0
85.97758	2.0
87.75307	1.8
88.98814	100.0
89.02431	6.5
98.22602	3.6
99.00903	2.2
101.02422	2.5
109.46632	1.9
111.17343	2.1
113.02525	2.8
118.04906	2.0
125.02447	2.6
141.09547	1.8
171.57060	2.1
173.64972	1.9
205.78731	2.1
211.13429	4.7
295.65945	2.3
311.22211	2.5
329.23343	8.3
369.74902	2.1
447.22928	3.4
461.24460	2.5
490.27243	4.8
491.28625	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	490.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	12.9
59.01389	99.8
61.98848	29.9
71.01394	76.9
71.33134	15.5
72.49652	10.4
73.02946	16.2
85.02959	13.6
89.02454	100.0
93.07315	11.9
97.64844	11.6
99.00911	11.7
101.02449	66.3
113.02464	39.7
119.03569	15.8
125.02536	11.4
131.03549	20.2
136.92203	10.7
147.34494	12.4
149.04605	51.1
171.10313	14.8
179.05624	15.8
190.10378	11.4
210.60832	9.2
222.62909	10.0
283.02609	15.2
284.02713	26.9
314.07437	37.3
339.83243	13.6
447.22601	81.9
490.27164	52.8
491.28323	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50356	7.2
53.71339	7.2
59.01374	24.0
61.89982	8.1
61.98835	11.5
69.74009	41.7
71.01376	23.7
74.02438	9.0
89.02473	17.4
96.96027	9.2
101.02449	11.4
108.47272	7.3
113.33450	7.6
115.00391	56.8
123.04545	9.0
125.02471	11.2
128.03508	11.7
129.93661	7.9
133.01442	100.0
177.01976	66.6
177.05519	8.7
213.58537	8.0
289.10391	10.2
357.08362	31.2
395.24826	8.8
491.25119	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	491.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86855	1.7
57.03458	100.0
58.00601	2.6
59.01388	85.6
61.98848	11.1
71.01390	41.6
71.32823	2.1
72.99313	3.2
73.02956	32.7
74.02483	17.2
79.05550	2.9
81.03477	6.2
83.01408	11.4
85.02981	10.5
87.00873	1.9
87.93137	1.7
89.02461	17.6
95.01407	2.5
96.00935	5.3
99.04536	94.4
101.02467	57.9
104.03564	6.5
109.01724	14.8
113.02464	24.0
113.06091	3.2
114.09258	2.0
115.08791	3.4
119.03504	10.9
119.05057	2.5
123.04543	25.8
125.02471	39.7
127.11945	1.6
129.10385	2.2
130.08752	4.5
130.52942	1.7
131.03542	4.3
133.02983	1.8
141.05627	4.1
143.03529	6.5
143.11923	8.2
148.51309	1.8
149.04593	3.9
149.24089	1.8
152.79146	1.9
153.05559	2.2
153.06702	2.0
155.11890	9.4
161.02469	5.6
161.04556	18.8
170.09370	4.2
173.12918	2.0
179.05684	7.7
183.10201	1.6
199.18303	1.7
210.07700	14.4
231.84937	1.4
241.19028	2.3
242.18733	2.2
253.19380	2.0
262.15665	12.8
263.07745	2.1
268.20258	2.5
342.20377	5.9
347.17151	3.1
372.21494	14.6
447.26230	3.5
473.24240	2.7
491.28537	2.0
492.25610	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89027	6.2
85.55037	2.2
100.04030	2.8
144.78069	2.5
155.62646	2.4
195.13980	4.8
197.90221	3.8
280.93170	2.6
293.21265	100.0
294.21451	7.4
307.70917	2.8
338.84607	2.8
373.65100	3.5
445.63055	3.0
495.53299	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	491.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	14.7
59.01380	19.0
61.98841	15.0
69.14229	17.4
69.21052	1.5
70.02997	2.9
71.01394	9.7
71.05006	2.2
73.02969	1.9
74.02490	3.5
81.02221	2.0
83.01427	2.8
85.02962	3.5
87.05639	4.7
89.02451	4.9
95.02560	2.6
96.00921	27.2
96.96043	4.0
98.02489	18.3
99.00853	2.1
99.04524	12.2
101.02458	6.1
103.53245	1.5
103.66254	1.5
108.02219	1.5
109.01745	4.2
109.02960	31.9
113.02456	2.3
113.02808	2.1
113.03573	18.8
114.02020	2.4
115.08759	4.0
116.07193	69.7
117.07533	2.7
121.02969	38.9
121.03752	1.5
125.02473	7.2
125.03348	1.5
127.08855	1.9
128.03551	7.6
129.10358	7.7
129.11214	1.6
130.08749	3.4
131.04619	18.1
134.03761	2.1
135.04575	2.2
138.09233	3.2
139.08789	3.5
147.04568	2.3
153.01964	31.5
161.02429	3.5
161.04590	3.2
164.07210	6.7
165.10321	11.2
166.08734	10.9
167.08325	2.4
175.04004	1.9
179.03572	2.2
183.11401	4.7
193.09848	6.2
200.10840	10.3
202.12427	7.0
209.09277	10.2
210.07790	2.1
217.13599	2.1
219.03000	2.1
242.11964	2.3
246.30826	1.7
248.03630	1.7
259.14551	6.5
263.13986	11.6
271.29520	2.1
295.14218	1.7
309.14676	2.0
313.15695	2.4
347.17087	4.2
357.14542	13.3
412.22516	3.0
456.21448	100.0
457.21777	13.3
473.24063	29.2
474.23206	7.8
491.25156	38.2
492.25327	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	491.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51521	0.4
55.01881	0.6
57.03450	2.3
59.01387	6.4
59.73790	0.5
61.98843	0.7
65.11375	0.5
66.22009	0.5
67.56004	0.5
69.12705	4.3
71.01391	7.4
72.99316	0.8
73.02969	1.6
83.01375	1.1
83.05058	0.6
84.50489	0.5
85.02946	3.1
87.00874	0.4
88.12208	0.5
89.02453	1.5
97.06620	1.0
98.22473	0.9
99.00880	1.0
99.04510	1.0
99.08174	1.5
101.02470	2.8
113.02467	2.5
119.03513	0.8
119.60023	0.5
125.09750	2.2
127.11310	2.3
128.78442	0.5
129.09267	0.8
139.11319	1.4
144.17741	0.5
153.26051	0.5
155.14426	1.1
158.05128	0.7
167.14462	0.7
171.10307	6.9
183.13959	1.9
185.11800	0.5
193.12349	0.7
209.11856	1.4
211.13426	15.4
213.14891	0.7
229.14459	36.9
230.14740	1.5
289.49854	0.6
293.21234	4.8
311.22211	3.7
313.23761	2.8
329.23355	20.4
330.23776	1.7
364.86948	0.6
377.09631	0.5
391.19684	3.2
491.28671	100.0
492.22562	1.0
492.29047	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	491.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05567	2.5
54.01330	2.9
55.19480	2.7
57.03452	7.9
59.01382	15.1
61.98830	10.4
71.01385	14.6
73.02964	4.7
78.00716	3.2
84.07880	2.4
85.02966	7.4
87.00895	2.9
89.02474	6.8
95.05060	2.8
99.04534	9.0
99.08173	6.2
101.02460	9.4
106.94951	2.3
113.02480	3.1
125.02405	2.9
136.53317	3.1
151.76112	2.8
161.02461	6.6
183.13863	5.0
197.06133	5.4
211.13379	27.9
229.14462	13.2
329.23349	100.0
330.23737	7.1
491.28540	22.4
514.67407	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	492.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
61.98836	100.0
69.08100	1.9
69.08517	5.3
71.01393	2.2
89.02470	2.3
99.04652	0.6
101.02459	1.8
119.03539	2.1
155.96916	0.7
179.05579	0.9
197.81679	0.7
205.12471	1.7
249.11308	4.9
305.06952	0.7
429.17813	1.8
493.23407	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	492.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72119	0.5
57.03454	4.1
59.01392	6.3
60.63047	0.5
61.98840	100.0
67.17307	0.6
71.01406	3.1
71.32664	1.1
85.02977	1.6
89.02473	1.7
96.00912	1.0
99.04527	3.0
101.02425	3.3
113.02466	1.1
116.07224	0.6
118.06663	0.7
125.02484	2.6
148.75429	0.6
161.04636	1.4
164.07185	1.0
168.97192	0.6
171.79005	0.6
177.13380	0.6
196.46581	0.6
242.08957	0.6
279.79431	0.6
457.21390	3.0
492.25687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
58.02968	1.5
59.01362	1.7
60.62735	0.6
69.07245	7.8
71.01381	2.1
72.04611	0.8
83.01384	0.9
84.04562	4.5
87.05636	5.9
88.04047	7.4
89.02470	10.7
90.97092	0.8
93.34771	0.6
97.04079	2.0
98.02490	1.5
98.06127	2.3
102.05626	22.5
104.91475	0.6
105.07216	0.7
112.07689	0.9
113.07221	1.6
116.07195	2.4
124.04061	9.6
127.08778	0.9
128.03561	53.2
129.03874	0.9
129.10365	14.3
134.04720	0.8
141.06766	3.5
142.05119	9.6
146.04613	13.0
159.07784	1.7
160.06178	40.5
161.06503	0.9
169.01579	0.7
173.09354	1.2
195.42992	0.7
198.99222	1.3
199.07263	7.1
210.56563	0.8
224.97217	4.8
245.11533	6.0
271.09427	2.1
289.10452	100.0
290.10803	5.4
432.54037	0.9
445.34622	0.7
492.18396	3.1
505.09866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03226	1.8
57.03456	19.9
59.01386	38.9
61.98837	35.7
71.01396	30.0
71.32631	1.5
71.33034	2.0
72.00906	5.1
72.99325	2.4
73.02958	8.7
73.77515	1.5
74.02486	68.6
78.53367	1.3
78.92756	1.7
81.03447	1.7
83.01380	4.5
85.02962	4.8
86.02505	1.9
87.00886	2.4
89.02460	16.4
91.42837	1.7
95.01395	1.8
99.04539	19.5
101.02460	19.9
104.03551	25.2
108.02171	3.8
112.04072	2.0
113.02468	8.8
116.92880	10.0
119.03506	5.2
121.02979	4.4
125.02441	9.6
128.03612	2.1
130.08733	7.1
130.94586	1.7
131.03520	1.7
135.04547	1.8
143.03491	2.6
160.01738	1.8
161.02376	2.1
161.04544	6.3
179.05603	3.6
181.12331	6.2
185.11966	1.6
212.16582	4.0
224.16592	6.0
256.15482	1.8
263.07761	2.2
286.82428	1.8
323.09879	2.3
328.22800	2.5
345.23126	3.9
346.23901	19.4
354.13629	2.1
405.21365	4.1
462.23578	26.6
474.23615	6.2
492.24423	100.0
493.09348	1.8
493.24338	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01272	2.0
57.03450	100.0
58.00581	2.3
59.01379	88.0
59.52388	1.7
61.98836	19.4
69.03448	2.5
71.01386	47.5
72.99303	2.1
73.02950	37.9
73.03355	1.3
75.00870	3.4
77.06088	1.8
79.05539	3.7
81.03460	6.8
83.01392	12.4
83.05101	2.1
85.02956	10.1
87.00893	2.7
89.02445	28.1
90.12012	2.4
95.01384	2.3
95.05084	2.7
96.96049	2.2
97.06602	4.8
99.00890	2.2
99.04521	86.9
101.02445	67.4
101.03114	2.7
102.02797	3.1
113.02456	28.7
113.06114	6.1
119.03482	13.7
120.99676	3.7
123.04539	26.3
125.02461	41.7
128.03557	2.1
130.08795	3.4
131.03503	6.3
135.04510	3.8
141.05641	4.5
143.03539	9.5
149.04610	6.2
151.04251	1.9
153.05594	4.8
155.06314	2.2
161.02513	2.9
161.04575	38.9
161.05917	3.8
165.26833	2.3
179.05641	15.8
187.13464	5.5
203.05745	2.7
221.06528	3.0
233.06682	4.2
263.07721	7.5
323.09796	6.1
349.40240	2.2
493.23193	8.8
493.29822	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	493.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78516	1.4
55.01888	3.1
57.03455	93.8
59.01387	100.0
61.98835	14.8
63.24028	1.2
69.03474	1.4
69.16517	7.9
69.16946	4.4
71.01392	49.9
72.99319	2.2
73.02959	18.5
74.02474	5.8
75.00898	1.9
79.13415	1.2
79.42188	1.4
81.03460	4.1
83.01402	6.1
85.02960	18.6
86.94791	1.2
87.00883	7.4
89.02454	17.4
95.01403	4.8
99.00898	6.2
99.04535	75.4
100.04880	2.7
101.02458	53.0
101.48061	1.3
104.03569	1.6
111.00883	7.2
111.04598	1.3
112.01645	1.7
113.02465	19.2
117.20415	1.3
119.03529	8.8
119.05070	2.2
120.99599	1.4
123.04536	2.7
125.01551	2.5
125.02466	49.8
133.02943	1.9
135.04559	4.0
141.09244	18.7
143.03537	5.5
143.10826	5.5
145.02957	3.3
153.12828	1.4
159.03044	2.0
160.01651	2.5
161.02483	2.3
161.04593	20.1
163.04024	1.5
171.88148	1.3
175.04042	1.6
179.03543	3.1
179.05638	2.7
187.13467	3.2
189.15071	1.5
193.91843	1.5
202.76839	1.3
259.15533	1.7
301.16495	2.4
331.17688	21.4
331.24954	5.5
349.18716	79.1
350.19107	6.1
391.19733	11.3
411.50446	1.6
431.22815	1.6
463.24008	2.2
493.23923	11.2
493.31177	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
57.03452	90.9
58.03765	2.5
59.01383	86.0
61.98821	8.3
69.11565	6.0
69.11969	19.1
71.01389	57.3
72.19021	2.4
72.99290	3.7
73.02944	20.4
74.34880	2.2
81.03462	3.7
83.01389	11.5
85.02944	22.2
87.00883	11.9
89.02451	22.6
90.57778	2.6
95.01405	3.9
98.22491	4.0
99.00912	7.3
99.04526	61.4
101.02444	58.7
111.00918	9.4
113.02429	19.6
115.77155	2.7
119.03494	8.3
125.02455	44.4
125.55761	2.3
141.01921	3.2
141.09250	23.5
143.03516	3.9
143.10823	6.1
159.03021	4.5
161.04599	20.4
188.03542	26.4
256.82501	2.4
331.17648	19.3
349.18671	100.0
350.19077	4.6
391.19794	17.9
447.22568	5.4
493.23102	7.6
493.30063	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18912	1.9
57.03456	100.0
59.01388	89.5
69.01133	24.5
71.01398	33.8
72.99311	2.4
73.02953	35.4
81.03484	6.2
83.01401	9.2
85.02959	6.8
89.02454	20.8
97.06601	2.5
98.21793	4.3
99.04534	87.6
101.02458	58.4
113.02457	23.6
113.06142	5.0
119.03532	8.6
123.04531	18.6
125.02466	38.4
131.03499	3.7
131.71907	2.0
141.05644	2.2
143.03532	6.7
149.04599	3.0
153.05643	2.4
161.04604	15.7
179.05661	8.6
224.74852	2.3
256.81522	2.4
331.17667	3.3
349.18655	7.4
368.16693	2.4
391.19791	2.9
493.23029	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26797	2.4
57.03178	5.0
57.03453	95.4
59.01385	81.5
71.01387	37.7
73.02953	35.6
79.05561	3.6
81.03471	3.6
83.01398	12.9
85.02962	10.6
89.01960	2.9
89.02443	17.6
91.22183	2.5
99.04532	100.0
101.02457	57.1
111.68776	2.9
113.02454	19.9
113.06091	3.7
119.03510	10.6
123.04543	25.5
125.02470	42.0
131.03564	4.9
132.72676	2.9
141.05525	4.2
141.21054	2.8
143.03531	7.4
149.04575	8.8
153.05704	3.0
161.02472	4.9
161.04575	21.6
179.05638	10.2
230.20070	2.9
233.74858	2.9
323.09952	3.1
349.18546	4.9
402.90521	3.2
493.23206	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.4
57.03452	100.0
59.01382	86.5
63.30333	1.5
69.33255	6.7
69.33693	7.0
71.01023	3.1
71.01386	35.7
72.30663	1.5
73.02574	3.3
73.02955	43.5
74.17970	1.7
79.05552	2.6
81.03455	4.0
83.01385	12.6
83.65214	1.9
85.02948	7.1
89.02453	24.9
95.01389	2.3
97.06587	3.9
98.22550	3.4
99.04525	82.1
101.02449	58.3
113.02461	25.3
113.06079	5.2
119.03493	10.7
123.04536	30.8
125.02463	35.8
131.03500	3.6
141.05602	5.2
143.03514	7.9
149.04578	6.5
153.05565	4.8
161.04573	26.8
179.05609	13.7
193.43971	1.8
221.06688	3.6
243.97174	1.6
263.07791	3.8
304.47928	2.0
323.09946	6.1
345.80789	1.9
483.51804	1.9
493.23154	4.9
510.62985	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	493.2296
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
52.84986	0.8
57.03452	100.0
58.00593	2.4
59.01382	98.9
61.98838	2.6
68.89482	0.9
69.03449	1.2
70.31217	1.0
70.31534	1.4
71.01388	53.1
72.99318	3.8
73.02950	38.1
73.03378	1.5
75.00881	2.3
79.05539	3.2
81.03474	6.0
81.03880	1.1
83.01394	13.2
83.05013	1.1
85.02962	9.3
87.00889	3.3
89.02452	33.2
95.01408	3.5
95.05054	1.4
97.02985	1.5
97.06606	3.0
99.00887	1.3
99.04524	81.4
100.04877	2.1
101.02448	65.2
109.06602	2.1
113.02459	27.3
113.06100	5.5
119.03516	17.5
120.99640	1.0
123.04536	25.9
124.04903	0.9
125.02456	37.1
127.79096	0.8
131.03505	4.1
135.04553	3.7
141.05594	5.1
141.09268	1.0
143.03520	7.4
145.02983	2.4
149.04553	6.0
153.05612	4.2
155.03531	1.5
158.89700	0.9
161.02455	2.1
161.04562	35.6
169.12375	1.3
179.03555	3.4
179.05630	18.7
179.07195	1.1
180.03824	1.0
203.05653	2.0
221.06720	3.3
233.06714	2.6
263.07751	7.9
267.11295	1.0
300.43979	0.8
323.09897	10.7
331.17819	1.3
349.18716	6.5
391.19794	1.1
493.23099	5.6
493.29691	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	494.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01365	0.8
69.60868	2.5
70.84215	0.5
76.37090	0.5
81.03477	2.3
83.05039	8.1
98.22552	0.4
99.04520	0.8
111.73374	0.5
125.07168	1.0
135.04541	1.4
138.60715	0.5
161.02469	1.6
167.10771	0.6
179.03471	0.9
188.89182	0.4
207.15146	0.7
224.17657	2.3
225.16144	5.8
242.18781	0.7
324.26666	1.1
333.23068	1.9
351.24103	0.6
367.26852	0.6
433.31891	3.9
451.32925	100.0
452.33228	10.2
452.39569	0.7
494.33575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03796	1.4
59.01385	93.8
61.98835	5.5
70.66614	3.6
71.01386	21.0
73.02953	6.1
80.19082	1.5
81.03476	3.8
83.01409	4.7
85.02966	7.9
87.00899	1.9
88.69704	1.3
89.02449	10.2
95.01405	2.5
96.00883	1.9
97.02949	1.5
99.00870	1.7
99.04527	90.3
100.04902	3.0
101.02447	34.5
107.35656	1.4
113.02466	12.0
114.05636	1.7
117.03486	4.2
119.03542	3.4
119.05052	4.7
123.04516	2.6
125.02458	33.4
126.02856	1.4
132.19040	1.2
135.04570	4.4
143.03517	6.0
145.02963	12.3
148.04077	2.9
159.03073	2.5
161.02461	1.7
161.04556	4.1
163.04004	6.8
169.73763	1.3
173.11893	1.6
179.03506	1.8
179.05571	1.7
187.04083	2.0
189.15056	3.8
245.06598	2.1
260.97122	1.3
287.07886	1.9
305.08655	4.1
315.65720	1.3
333.19186	30.2
334.19843	1.7
351.20239	47.7
352.20627	3.2
393.21350	9.8
495.24362	17.1
496.24258	2.6
514.30200	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	496.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77405	7.4
59.01381	8.5
61.75201	6.6
61.98812	8.4
62.69783	8.6
71.01373	10.9
112.81818	8.1
119.03535	10.3
125.23616	9.5
129.37694	7.9
141.50357	7.6
163.65479	8.0
163.74570	8.4
165.12866	19.7
188.57410	8.4
247.20770	11.0
247.51030	9.0
257.92859	8.0
291.19775	100.0
317.75327	9.4
369.75467	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	497.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.8
62.79782	4.4
63.47456	4.5
70.66369	10.9
71.01389	100.0
72.99306	50.2
73.02937	8.5
75.00880	7.7
85.02945	9.8
87.00859	6.8
89.02453	39.7
100.06383	4.0
101.02402	8.5
103.00391	17.2
114.09930	4.4
115.00406	13.0
118.66151	4.7
129.44789	4.0
133.01433	78.3
236.40823	4.3
389.34250	7.0
417.33673	46.6
476.11664	5.0
497.34860	32.4
513.15491	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	498.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69251	0.7
61.32365	0.7
69.35464	3.1
69.35876	2.1
73.06589	0.9
78.82940	0.7
79.62466	0.8
95.42258	0.8
98.22546	0.7
108.31421	0.7
108.68372	0.7
129.05594	100.0
130.05922	1.7
156.06653	10.0
161.02463	1.4
455.93228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67050	3.9
57.37505	4.0
61.98816	5.7
62.63865	5.0
69.62411	9.7
69.62814	21.2
76.21557	3.9
86.28822	4.3
124.87661	4.6
159.85980	4.5
213.51062	4.5
293.21237	100.0
294.21628	6.8
320.81940	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	498.2902
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
52.34598	0.9
60.54198	0.7
70.96605	1.8
73.06467	0.8
79.95754	12.2
80.96518	3.4
106.98103	4.8
124.00765	3.9
134.99232	0.9
188.51546	0.8
299.02457	1.0
358.35663	0.9
396.06168	0.9
498.29010	100.0
499.29193	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57887	1.4
55.91610	1.2
57.23352	1.2
69.08047	14.5
72.00886	1.5
73.04075	16.2
74.02483	41.7
78.95902	4.2
81.44029	1.2
87.05666	2.1
112.02833	1.7
116.16206	1.3
118.05127	5.2
126.09267	3.1
127.55736	1.4
130.08754	2.3
134.31720	1.3
139.08774	1.4
141.10323	3.3
143.11919	23.6
152.07184	6.5
152.99635	2.6
153.10338	2.7
165.10304	1.3
165.75945	1.5
169.09842	6.6
169.13486	5.4
187.10919	6.8
200.14053	45.5
204.48698	1.3
226.15782	2.2
226.21782	37.8
227.22165	2.0
266.21149	2.2
270.20728	3.4
283.23947	20.2
397.30688	4.6
410.33997	3.5
454.32883	100.0
455.33337	8.4
498.35550	39.9
499.35574	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	499.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63782	1.4
57.03451	56.6
58.03756	1.4
59.01387	26.2
61.43036	1.3
69.51039	5.7
69.51453	2.8
71.01390	13.5
73.02939	8.2
81.03474	2.5
83.01384	2.1
85.02961	3.1
89.02448	9.5
99.04525	36.2
101.02439	17.6
104.22887	1.4
113.02449	8.7
113.06092	1.6
117.03483	8.4
119.03534	2.7
119.04956	1.7
123.04511	9.2
125.02444	23.3
127.57043	1.5
132.02199	11.3
133.02980	3.2
134.03746	72.0
135.04543	4.0
141.05576	1.5
143.03525	2.9
147.04475	3.5
148.05246	2.5
149.06120	7.0
160.01666	58.4
161.02324	3.0
161.04565	22.8
163.04063	1.4
175.04007	100.0
176.04750	11.3
178.02734	1.7
179.05594	9.2
191.07159	10.4
193.05064	80.8
194.05331	3.0
202.02739	1.5
203.05595	2.7
207.06612	4.3
217.05087	9.1
220.03760	1.8
233.06656	2.6
235.03864	2.6
235.06113	20.5
263.07709	11.5
305.08734	3.7
323.09805	30.0
324.10239	1.7
337.09122	1.3
355.06366	2.4
355.10339	25.2
356.10632	1.7
397.11383	20.3
452.33154	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	499.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	49.7
59.01386	24.0
61.98816	2.4
67.50697	1.4
69.54408	2.0
69.54809	5.1
71.01395	11.7
73.02964	6.6
77.34603	1.4
85.02964	2.8
89.02450	7.5
89.04018	1.6
99.04533	31.1
101.02456	17.0
105.81220	1.3
113.02447	6.7
117.03468	4.2
119.03503	3.3
123.04549	4.9
124.40602	1.3
125.02471	17.4
132.02199	7.8
133.03001	3.3
133.65282	1.3
134.03755	57.4
135.04501	2.0
137.85904	1.3
141.05553	1.7
143.03528	3.2
147.04523	2.5
148.05301	1.7
149.06053	7.1
160.01675	60.0
161.02377	1.5
161.04579	24.5
163.04102	1.4
174.03217	1.5
175.04019	100.0
176.04810	10.5
179.05591	6.5
191.07240	7.2
192.04250	1.7
193.05083	73.0
194.05437	3.4
202.02652	1.8
203.05583	1.8
207.06613	4.5
210.04324	1.5
217.05116	10.8
220.03746	1.4
233.06616	2.6
235.06155	17.4
263.07755	11.7
305.08719	3.6
319.77539	1.3
323.09869	26.2
324.10187	1.9
337.09332	1.6
355.05978	1.6
355.10382	27.0
356.10620	2.3
357.05374	1.6
397.11469	16.7
437.14600	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	500.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82621	1.8
57.37163	2.0
57.47584	2.2
59.01385	4.8
59.39364	2.2
69.75856	3.0
69.76257	6.1
71.01394	4.7
88.04070	3.0
89.02467	3.4
96.00946	2.9
96.96030	2.4
101.02432	2.3
115.04024	100.0
115.86362	1.8
116.04343	2.1
133.02957	3.3
135.04492	2.5
142.05122	16.2
149.02448	19.4
161.02477	5.1
173.46762	1.9
177.01944	83.2
195.02983	7.8
205.98943	2.3
234.01665	2.1
234.99350	2.4
248.97189	2.7
258.99191	5.2
259.99576	3.2
272.76797	2.0
277.00314	16.2
278.00671	20.9
314.06165	1.9
339.05032	4.4
357.08304	53.5
358.08658	2.6
458.65149	2.2
500.24445	7.4
500.30786	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	500.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49792	1.3
59.01378	5.3
68.55029	1.2
69.99209	3.3
69.99628	2.1
70.71715	1.1
71.01400	2.8
73.02984	1.4
83.06171	3.0
101.02465	1.9
106.39550	1.2
114.05643	2.7
115.35999	1.2
116.87927	1.1
119.55171	1.1
130.05154	1.4
130.08754	46.0
131.08284	100.0
145.09825	2.4
150.05229	2.6
156.07813	8.6
161.04631	2.1
173.10460	51.4
174.99271	1.6
178.04739	1.3
185.00507	3.1
188.07814	3.3
195.52287	1.2
196.05800	43.1
197.05916	3.0
197.07768	1.6
203.96115	1.3
213.08479	1.2
216.07269	1.7
217.00342	5.4
220.06914	2.3
227.05367	1.3
237.09805	3.0
237.65109	1.4
241.07014	1.3
243.08409	5.4
244.08322	1.5
251.06122	1.3
260.10172	1.4
263.10089	1.7
272.09918	3.1
288.07690	4.6
293.11145	1.4
302.15662	2.1
309.14233	36.6
310.13815	29.5
311.13962	2.9
318.10025	1.5
326.16931	23.4
327.16608	7.8
335.13202	6.3
343.17151	2.3
344.17755	1.4
352.11649	0.8
352.15906	21.3
352.19998	2.4
353.16043	1.9
359.01483	2.9
359.14981	7.5
369.13928	9.5
369.18494	62.7
370.18918	6.6
413.40787	1.6
500.28015	9.7
501.15909	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	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	85.4
59.10934	0.7
59.34192	0.8
73.02952	0.9
101.37627	0.8
118.96616	0.9
123.99194	0.7
132.98216	2.4
147.67603	0.7
149.53143	0.7
155.44582	0.7
157.03580	2.7
159.01511	1.4
174.99252	22.0
175.02470	1.0
176.98080	0.9
184.01018	1.3
192.96063	2.3
201.02557	36.0
202.02786	3.0
203.02336	1.0
215.04146	1.5
217.00310	100.0
218.00493	1.3
218.98285	0.7
250.95038	2.0
276.98224	1.0
282.32526	0.7
292.96289	3.2
293.96378	0.7
334.97427	1.1
337.24860	0.8
343.03683	2.0
359.01468	56.2
360.01627	5.2
376.99313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01384	2.7
61.98833	3.0
65.82039	0.1
71.01397	1.3
73.04059	0.2
81.03444	0.5
85.02944	0.4
89.02435	0.5
89.03974	1.9
95.05036	0.2
96.96024	1.0
98.22558	0.4
99.04530	1.8
101.02451	0.9
104.02697	0.3
105.03467	3.0
107.01352	0.2
113.02465	0.5
113.03561	0.2
115.00356	0.2
119.03472	0.2
121.02930	0.2
125.02459	0.8
127.05129	0.2
128.03532	0.5
130.08768	1.2
132.02135	0.3
133.02971	11.1
134.03748	0.4
135.04535	3.7
143.11894	0.2
145.02965	0.2
148.01735	0.2
149.02473	1.0
149.06119	0.2
160.01663	0.3
161.02460	6.8
161.04504	0.3
162.02855	0.3
175.03998	0.6
176.01170	0.7
177.01941	100.0
178.02278	3.6
179.03535	2.3
186.12459	0.4
193.05145	0.3
195.10283	0.3
221.04628	0.2
223.09727	0.5
229.21629	0.2
230.11848	0.2
323.07782	3.2
339.07233	19.1
340.07629	1.1
357.15555	0.5
399.16571	0.4
420.11096	0.3
470.29761	0.5
471.30295	0.4
483.25748	0.3
500.30994	0.5
501.10425	6.0
501.19595	0.7
501.25809	0.3
501.31833	0.3
502.10727	0.7
502.26157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98997	0.8
57.03448	6.3
59.01380	7.6
60.64978	0.8
61.20240	0.7
69.11607	7.0
71.01388	3.9
73.02932	1.1
85.02949	1.7
89.02458	2.2
96.96027	1.4
98.22546	1.7
99.04530	5.6
101.02451	3.4
104.18406	0.7
113.02439	2.3
117.03471	30.2
119.05019	9.5
125.02454	1.8
127.53908	0.7
132.02156	2.3
133.02950	1.2
133.06593	1.2
134.03722	5.6
135.04562	1.3
145.02959	100.0
146.03316	4.5
149.06163	1.0
159.04448	0.8
160.01672	12.4
160.03023	0.9
161.02420	1.8
161.04646	0.8
161.05963	1.6
163.04015	10.6
175.03999	14.2
176.04681	1.7
177.01895	1.1
178.02786	0.9
179.03496	1.9
187.04034	2.5
191.07202	1.5
191.31200	0.8
193.05058	7.6
205.05095	2.2
235.06203	3.6
253.14430	0.8
265.07132	2.5
281.56696	0.8
295.08270	2.9
307.08307	3.3
323.07840	1.8
324.89832	0.9
337.09277	12.5
338.09641	1.2
355.10092	1.1
501.14017	5.8
502.13843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66982	0.4
57.90975	0.4
59.01387	13.8
60.32352	0.5
62.01974	0.5
71.01374	1.3
71.31244	0.7
72.99304	1.1
73.02968	0.5
74.02475	1.7
82.06631	0.4
88.04039	0.7
90.97139	1.9
99.00898	0.7
101.02467	1.0
104.26766	0.5
115.08823	0.9
117.00490	0.7
118.96660	0.6
125.02467	0.6
127.05112	0.7
128.03558	1.2
128.07233	0.6
129.10367	0.8
130.08757	100.0
131.09111	3.3
132.98195	0.9
133.01610	0.4
133.03027	0.6
150.04250	0.5
160.97737	0.5
161.04536	0.6
172.10971	1.7
174.99236	2.7
179.80664	0.4
187.98859	0.7
188.07863	1.2
201.02577	2.8
217.00316	9.3
228.07263	0.5
230.08885	2.1
237.09821	1.2
238.10217	0.7
244.05101	1.6
246.06767	1.3
257.19894	1.5
272.09937	7.0
273.10278	1.0
288.07703	32.8
289.07819	1.2
299.09256	0.5
299.14734	0.6
301.16330	1.2
315.12540	0.8
343.17300	11.4
343.21603	0.6
344.17432	1.0
359.01581	3.6
359.15036	48.9
360.15408	2.6
369.13959	2.1
370.14584	1.7
370.17307	1.4
392.34158	0.5
441.09735	0.6
457.27884	4.2
476.27435	0.6
501.16370	15.0
501.26083	2.0
501.31693	1.1
502.16602	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	501.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72377	1.5
55.01874	3.2
57.03453	52.2
59.01385	100.0
61.98821	2.3
66.98315	1.6
71.01382	34.0
72.52914	1.8
73.02943	9.5
81.03471	3.5
82.02995	2.9
83.01392	3.8
85.02958	14.6
87.05640	1.5
89.02460	7.5
93.46745	1.5
95.01396	2.3
96.00913	2.4
98.02543	2.1
98.22533	3.9
99.00895	5.1
99.04526	78.8
100.04874	5.4
101.02452	30.7
107.08512	1.7
107.54671	1.7
111.08187	5.3
113.02464	13.5
113.03594	3.3
115.72508	1.7
125.02455	49.3
128.03546	40.6
128.04463	3.0
130.08788	4.5
133.02975	4.4
134.03763	13.7
135.04620	11.3
139.07666	33.6
143.03535	4.4
155.08224	1.6
159.03008	2.2
160.01686	8.9
161.02324	7.2
161.04579	27.1
162.67033	1.6
166.08826	2.4
175.03999	16.4
176.04440	8.9
177.04541	5.7
179.03513	8.3
179.05637	2.0
193.05095	11.2
194.05453	5.7
195.05591	5.1
195.10252	3.0
197.12947	2.1
235.06134	3.7
236.06436	2.2
237.06587	2.2
241.11966	4.5
241.45572	1.5
265.08145	1.7
324.10318	2.0
325.10312	2.8
339.14606	5.2
357.11026	3.8
357.15591	15.4
390.20621	1.9
399.11844	2.9
399.16669	17.2
457.20889	4.0
466.21848	14.9
483.24707	6.9
484.23590	1.7
501.19522	4.8
501.25772	12.0
502.26349	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	501.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90033	0.9
53.12308	1.1
57.03454	45.7
59.01384	100.0
59.88046	0.9
60.01719	1.0
61.98827	4.2
69.13475	2.3
69.13882	8.1
71.01392	24.0
72.99310	1.5
73.02949	5.1
73.04083	1.2
75.00862	1.6
83.01408	3.1
85.02960	6.7
87.00900	1.5
87.67902	0.9
88.28793	1.0
89.02446	14.6
96.00904	1.2
96.96016	3.4
99.00888	2.0
99.04527	73.6
101.02446	23.2
105.03442	1.3
113.02479	7.9
119.03501	4.8
121.02951	2.1
125.02455	34.6
127.05173	1.3
128.03543	3.5
130.08769	2.8
131.03481	1.2
131.68329	1.0
132.02264	1.4
133.02977	16.7
134.03679	3.4
135.04541	26.0
136.04889	1.9
143.03511	3.5
149.04558	1.2
160.01674	3.8
161.01103	2.1
161.02452	29.3
161.04504	6.5
161.09668	1.4
162.02678	1.4
175.04027	5.5
177.01932	26.9
177.09204	4.6
178.02364	1.3
179.02065	1.6
179.03510	18.0
179.05457	2.0
179.10802	1.8
193.05118	2.3
195.10213	2.2
203.03531	1.9
221.04538	1.7
223.09766	5.7
323.07791	8.0
324.08038	1.2
337.09262	2.8
339.14429	5.0
341.08667	1.7
357.15533	18.2
357.19684	1.7
399.16614	16.8
420.10751	1.6
439.19592	2.2
457.20581	3.3
466.21738	1.7
501.19418	6.6
501.25534	1.4
501.31396	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03452	100.0
58.03780	1.6
59.01382	86.5
61.98832	4.6
62.68419	1.2
69.27975	10.4
71.01388	26.4
72.99315	1.2
73.02951	11.3
81.03474	2.3
83.01413	5.4
83.05018	1.5
85.02957	8.3
87.00882	1.9
89.02445	8.2
93.03477	1.5
94.98112	1.5
95.01407	1.9
96.00942	2.2
97.64346	1.1
98.51398	1.1
99.00906	3.0
99.04527	89.5
100.04842	2.1
101.02452	37.3
101.07203	1.4
113.02477	11.2
113.03245	1.2
113.03529	1.3
119.03529	4.0
119.05040	19.7
123.04544	3.5
123.08272	1.4
125.02454	30.7
127.05169	3.8
128.03598	1.8
130.08742	2.5
132.02206	3.0
133.02986	8.1
134.03769	5.1
135.04541	15.6
141.05618	2.5
143.03487	3.2
145.06206	5.1
149.04567	2.5
160.01660	11.0
161.02455	19.9
161.04547	8.5
163.04008	18.5
175.03996	9.9
177.01897	1.8
178.05139	1.8
179.03548	8.3
179.05637	2.4
193.05074	2.7
195.13956	2.0
221.04684	1.2
251.05595	1.5
323.07791	2.4
337.09268	5.4
339.05408	1.6
368.21786	1.6
398.11041	1.7
420.10324	2.1
501.14267	2.7
501.25586	2.2
501.33377	1.8
502.27579	2.9
508.72025	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	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03452	100.0
58.03780	1.6
59.01382	86.5
61.98832	4.6
62.68419	1.2
69.27975	10.4
71.01388	26.4
72.99315	1.2
73.02951	11.3
81.03474	2.3
83.01413	5.4
83.05018	1.5
85.02957	8.3
87.00882	1.9
89.02445	8.2
93.03477	1.5
94.98112	1.5
95.01407	1.9
96.00942	2.2
97.64346	1.1
98.51398	1.1
99.00906	3.0
99.04527	89.5
100.04842	2.1
101.02452	37.3
101.07203	1.4
113.02477	11.2
113.03245	1.2
113.03529	1.3
119.03529	4.0
119.05040	19.7
123.04544	3.5
123.08272	1.4
125.02454	30.7
127.05169	3.8
128.03598	1.8
130.08742	2.5
132.02206	3.0
133.02986	8.1
134.03769	5.1
135.04541	15.6
141.05618	2.5
143.03487	3.2
145.06206	5.1
149.04567	2.5
160.01660	11.0
161.02455	19.9
161.04547	8.5
163.04008	18.5
175.03996	9.9
177.01897	1.8
178.05139	1.8
179.03548	8.3
179.05637	2.4
193.05074	2.7
195.13956	2.0
221.04684	1.2
251.05595	1.5
323.07791	2.4
337.09268	5.4
339.05408	1.6
368.21786	1.6
398.11041	1.7
420.10324	2.1
501.14267	2.7
501.25586	2.2
501.33377	1.8
502.27579	2.9
508.72025	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	501.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.06207	1.4
63.26611	1.2
66.99974	1.1
69.19505	10.8
71.01394	2.2
73.04066	3.2
74.02460	1.4
82.02980	4.6
84.04558	3.6
89.74907	1.2
90.05118	1.3
100.04048	2.1
101.07195	8.7
102.05605	25.2
109.04077	3.8
115.00373	1.2
127.05151	20.3
128.03548	100.0
129.03879	3.5
129.10374	3.6
130.08748	21.8
136.11269	1.4
138.09241	1.3
140.07184	5.6
141.10326	1.4
145.06204	21.8
146.04602	27.7
146.44806	1.2
155.11960	1.3
169.13409	1.4
171.15045	5.4
180.10336	13.4
184.94882	1.2
195.11357	1.9
196.21165	1.3
197.12965	13.3
199.18193	1.7
207.14998	2.2
215.14000	2.7
222.12579	1.8
223.10895	5.5
225.16098	1.5
241.11938	15.6
259.13055	2.1
292.20209	2.0
310.21280	1.7
354.20337	15.1
372.21362	31.1
373.21719	2.3
439.25427	2.0
458.26462	1.5
483.24594	15.4
501.25732	93.0
502.25845	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	501.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50686	1.2
54.30928	1.2
59.01383	100.0
64.65115	1.2
66.80704	1.1
68.57611	1.0
69.77141	6.0
71.01388	2.7
78.95909	8.5
85.02966	1.2
89.02443	2.5
96.96996	1.2
98.21773	1.5
101.02479	2.7
113.02478	5.7
152.99617	16.8
161.04541	2.5
174.27652	1.3
213.16499	1.3
279.23315	91.0
280.23654	5.5
280.26282	1.1
293.24741	3.0
321.24387	1.8
433.23923	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	502.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14249	0.7
50.28549	0.6
51.35604	0.8
61.98836	100.0
68.39870	0.7
70.51958	1.9
83.36014	0.7
111.08810	0.7
149.66687	0.7
167.33055	0.8
179.87291	0.8
195.63994	0.7
242.45764	0.7
435.54910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56124	0.1
59.01384	0.9
59.98536	0.2
70.80329	0.3
71.01399	0.3
71.57724	0.1
78.95914	8.3
94.33305	0.1
152.99664	0.8
161.86455	0.1
168.04330	2.1
180.63446	0.1
212.09225	0.1
224.06915	1.4
233.22751	0.3
242.08009	3.4
259.20679	0.4
275.20197	0.3
277.21744	100.0
278.22070	7.0
319.21722	0.1
350.47720	0.1
406.25806	0.2
502.29410	5.3
503.29538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	34.1
59.01382	72.6
61.98811	3.0
71.01390	33.2
71.32723	4.2
72.99309	3.1
73.02971	7.4
83.01377	4.7
85.02946	10.3
89.02450	27.3
95.01424	4.4
99.04530	47.2
101.02459	32.0
109.02972	19.4
112.33551	2.9
113.02473	14.3
119.03508	15.8
119.05015	5.1
121.02969	12.9
123.04523	4.8
125.02449	23.7
126.86958	3.2
127.05182	5.3
128.03549	12.9
130.08653	3.6
133.02953	21.7
135.04541	86.9
143.03578	4.1
145.02971	18.7
145.06154	4.2
147.04556	34.9
149.02478	3.7
153.09253	4.9
161.02452	71.1
161.04593	7.3
161.06024	6.0
162.02769	4.9
173.02429	7.7
174.03215	9.8
175.03999	57.3
176.01044	3.4
179.03531	63.9
179.05244	4.0
187.04012	10.9
189.05649	3.2
197.11673	3.6
201.01921	9.2
201.61449	3.0
203.03490	5.8
209.06133	4.3
221.04613	6.4
243.02937	18.1
243.06660	6.6
253.08772	10.0
255.06650	50.9
256.07010	3.8
279.06653	3.9
295.06149	76.1
296.06638	7.4
297.07718	100.0
323.07822	9.5
341.08755	11.9
341.16095	13.6
359.17178	27.7
401.18387	4.7
459.25934	3.9
487.75308	3.8
503.12195	8.4
503.21295	7.0
503.28842	6.0
504.28363	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	503.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.4
59.01380	12.4
61.98812	2.8
71.01386	5.5
71.32623	1.0
72.20959	0.8
73.02930	3.0
73.04065	1.1
74.02498	0.9
75.26592	0.7
81.03466	0.8
83.01411	0.8
85.02944	2.1
89.02461	3.6
99.04530	8.8
100.05740	0.6
101.02448	7.2
108.02130	1.4
109.02957	62.4
110.03293	1.3
113.02438	3.7
113.03568	0.8
114.05600	1.1
115.00349	0.8
117.03445	1.6
119.03473	0.7
119.65706	0.7
121.02987	1.5
123.04486	2.0
125.02443	5.6
127.05138	0.9
128.03546	1.6
130.08740	1.1
133.02931	3.0
133.47368	0.8
134.03706	1.4
135.04535	27.8
143.05043	0.9
145.02956	25.0
146.03665	2.3
147.04585	1.0
149.02522	1.0
149.04561	0.8
151.04013	3.6
159.04504	5.0
161.02466	17.6
161.04596	2.1
161.06065	19.4
162.02834	0.9
175.03987	1.2
179.03516	27.5
179.05179	1.2
180.03862	1.2
187.04012	9.6
205.05072	3.4
209.06076	1.0
211.03964	1.6
213.02003	1.2
214.02635	0.7
225.05530	2.3
226.06287	1.2
231.03052	1.6
234.72067	0.7
237.05574	2.8
239.03537	5.2
240.04262	4.6
242.05914	0.9
243.02849	0.9
243.06615	12.1
251.07089	1.2
253.05086	6.5
254.06021	0.7
255.06693	8.4
268.03751	1.3
279.02933	1.8
279.06625	2.4
280.03638	0.9
281.04547	28.2
282.05048	1.9
295.06039	1.3
296.06763	1.1
297.07681	22.2
299.05591	1.6
323.05417	4.1
337.07306	1.1
341.06635	100.0
342.06915	7.6
365.06299	1.1
383.07690	8.0
384.50308	0.8
401.23694	0.8
413.08829	2.0
438.21066	1.0
503.11746	9.6
503.22507	2.0
504.12564	1.1
504.24832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01385	1.3
61.98843	0.3
69.22265	2.2
69.22680	0.6
71.01391	1.0
73.02956	0.5
76.13166	0.3
80.20628	0.3
82.56297	0.3
85.02963	0.3
89.02448	0.6
91.05570	0.6
96.70873	0.3
98.21706	0.3
98.52127	0.3
99.04514	0.6
101.02439	0.4
107.05060	1.3
109.02998	0.4
113.02486	0.3
114.05656	0.4
117.03479	0.6
128.03561	1.7
128.14651	0.3
130.08743	0.4
132.02220	0.5
132.23080	0.3
133.02982	8.9
134.03761	5.0
135.04546	97.9
136.04887	2.7
149.06085	0.5
161.02470	27.1
162.02823	0.6
175.04013	2.0
177.05571	1.2
179.03520	100.0
180.03882	3.8
189.05608	0.3
197.12978	0.6
203.03543	9.0
204.03752	0.5
206.88405	0.3
208.18314	0.3
221.04553	1.1
241.11943	0.9
311.12631	0.3
323.07779	11.3
324.08014	0.8
341.08838	4.1
488.47894	0.4
503.12045	7.1
503.25574	0.6
504.12433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1205
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.72112	0.5
59.01382	2.5
70.88917	0.7
70.89254	0.6
71.01386	2.2
89.02482	0.8
101.02479	1.4
104.98904	0.5
105.03447	0.6
107.16798	0.5
109.02968	0.7
113.02477	0.8
117.03509	0.7
132.02211	2.5
133.02980	35.2
134.03664	1.8
135.04547	42.6
136.04880	1.3
137.02513	0.9
148.05299	1.3
149.06102	5.2
151.03998	0.6
161.02472	100.0
162.02823	3.3
175.04027	1.2
177.05595	13.5
178.02655	0.5
179.03525	53.0
180.03871	2.1
203.03574	4.1
221.04578	20.6
222.04945	1.0
251.05646	28.2
252.05984	1.9
281.06702	36.2
282.07083	1.7
323.07837	7.2
341.08810	41.3
342.09229	2.5
394.37769	0.5
450.10809	0.5
503.12036	15.1
504.12311	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	503.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73703	0.8
62.72136	0.8
69.16047	3.9
69.16476	3.6
77.03979	3.7
82.72363	0.9
89.03995	2.0
91.24726	1.0
93.03466	1.2
95.05040	8.1
98.21793	1.9
105.03468	21.5
106.03785	1.0
117.03489	3.5
118.98606	0.9
119.05057	1.1
123.04509	1.4
128.03566	1.0
133.02969	100.0
134.03331	2.7
135.04550	5.9
143.05002	2.0
145.02960	19.1
161.02513	2.8
163.04007	1.9
177.01944	47.9
178.02327	1.6
179.03476	3.8
187.03992	1.2
214.10629	0.9
325.09204	4.6
400.14233	0.9
503.14011	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1198
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.03442	2.2
59.01376	4.6
70.54343	0.6
71.01376	2.6
71.32254	1.2
73.02946	1.1
73.04085	0.8
74.02483	1.4
77.03963	3.2
83.01382	0.8
85.02987	0.6
88.04058	1.9
89.02462	2.2
89.03989	0.8
93.03477	0.7
95.05030	6.5
96.00958	1.2
98.02509	0.8
99.04539	1.8
101.02454	2.2
104.72456	0.6
105.03468	22.8
106.03830	0.9
109.02943	3.2
113.02454	2.3
113.03628	1.0
114.05611	1.8
115.05186	0.6
117.03483	3.3
119.05022	1.7
121.02985	1.5
123.04530	2.2
125.02454	0.8
128.03554	1.3
130.06264	0.8
132.02216	1.2
133.02971	100.0
134.03296	2.6
135.04547	18.0
143.05074	1.6
145.02966	16.1
146.03368	0.7
151.04062	0.9
159.04532	1.1
161.02460	14.0
161.06093	0.9
162.02737	0.8
163.04010	2.1
175.03995	1.3
177.01947	45.8
178.02248	1.8
179.03516	17.3
180.04025	0.8
187.04063	2.6
203.03473	2.6
233.04532	1.1
251.05704	1.5
253.08679	1.2
255.06720	1.2
279.06696	1.2
281.06665	1.2
297.07639	1.2
305.06924	1.0
313.66403	0.8
323.08163	1.7
325.09314	4.5
330.34497	0.7
341.08752	2.5
374.28680	0.7
383.19147	0.9
414.19870	1.5
441.52078	0.7
444.20877	0.8
485.24802	1.2
486.62015	0.7
503.13852	5.8
503.24234	1.6
504.25134	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09901	0.3
55.36164	0.3
56.57588	0.4
59.01121	0.6
59.01386	3.3
61.25091	0.4
67.81353	0.3
69.58234	0.3
70.05704	0.9
71.01386	2.5
85.02954	0.5
89.01953	0.4
89.02464	1.2
101.02444	1.0
105.78424	0.4
113.02455	0.9
117.03416	0.5
126.44787	0.4
132.02174	0.9
132.44896	0.4
133.02965	21.4
134.03326	0.5
135.04533	13.3
136.04900	0.5
137.02473	0.6
149.06085	1.6
158.61168	0.4
161.02452	100.0
162.02763	4.1
175.04019	1.5
177.05562	2.9
179.03502	22.8
180.03853	0.5
203.03516	6.3
204.03778	0.5
220.35574	0.4
221.04529	3.2
251.05664	0.6
266.16620	0.4
281.06628	1.2
323.07794	1.2
341.08777	42.5
342.09171	2.4
345.87289	0.5
365.08932	2.1
383.09839	1.2
485.13876	0.6
490.53934	0.4
503.14014	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	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36636	0.4
55.98359	0.5
59.01389	4.1
63.56429	0.4
70.68659	1.1
71.01380	4.2
73.02924	1.2
82.73811	0.4
85.02959	1.3
89.02453	3.5
100.45298	0.4
101.02451	2.0
113.02457	1.1
117.03487	0.8
119.03497	1.1
132.02206	1.5
133.02965	23.1
134.03722	1.0
135.03491	0.9
135.04532	18.9
136.04848	0.6
149.06032	1.0
158.65424	0.4
160.01671	1.1
161.02452	100.0
162.02785	2.8
167.47874	0.4
175.04057	0.8
177.05595	1.8
179.03508	38.6
180.03839	1.1
203.03499	3.4
221.04547	1.9
221.06514	0.5
233.04774	0.6
251.05684	0.5
281.06711	0.7
323.07764	3.8
330.71597	0.5
331.82294	0.6
341.08774	26.1
342.09055	1.2
383.09891	0.8
443.12094	1.0
503.14072	13.4
504.14386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57569	0.4
59.01384	3.6
62.26673	0.4
70.68564	0.9
71.01384	1.5
71.11005	0.4
75.17492	0.3
86.24560	0.3
89.02483	0.9
90.35016	0.4
101.02450	0.9
104.05268	0.4
105.03468	0.7
113.02473	0.7
117.03468	1.8
123.04587	0.5
130.78447	0.4
132.02182	2.3
133.02968	20.6
134.03831	0.4
135.04535	23.8
136.04892	0.6
138.41199	0.3
149.06096	0.9
160.01659	3.3
161.02455	100.0
162.02809	3.3
169.01596	0.4
175.04018	0.7
177.05595	1.5
179.03508	43.6
180.03876	1.6
193.76274	0.4
203.03506	2.2
221.04604	1.9
238.89304	0.4
281.06671	1.4
323.07724	7.5
324.08157	0.4
341.08783	50.3
342.09158	2.4
383.09995	0.6
468.81186	0.4
492.35068	0.4
503.14130	13.3
503.21445	0.8
504.14349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99004	0.4
59.01387	2.8
59.71843	0.5
70.84528	0.9
71.01388	2.9
73.02943	1.0
85.02966	0.7
89.02457	1.4
95.10143	0.4
97.02957	0.8
101.02448	2.2
101.11938	0.5
113.02444	1.4
131.44292	0.4
132.02196	1.7
133.02968	25.6
135.04535	14.9
135.05528	1.0
136.04860	0.6
149.06111	0.6
153.84114	0.5
161.02457	100.0
162.02780	3.2
177.05592	1.4
179.03505	25.5
179.96248	0.5
180.03856	0.9
203.03546	3.3
221.04616	2.2
323.07739	2.6
341.08783	16.0
342.09180	0.7
384.86551	0.5
403.67679	0.5
443.11960	0.6
503.14166	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	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
60.23213	0.3
69.97562	1.4
71.01379	3.3
73.02967	1.5
73.04053	0.3
74.65761	0.4
83.01405	0.5
85.02956	1.1
87.00909	0.7
89.02461	1.9
95.01392	0.3
97.02970	0.8
97.43999	0.3
101.02457	2.6
105.03475	0.4
109.02985	0.5
113.02460	2.1
117.03497	0.4
119.03505	0.5
123.35460	0.3
131.03458	0.4
132.02187	2.0
133.02972	29.0
134.03427	0.6
135.04543	10.8
136.04826	0.4
143.03505	0.3
149.06136	0.6
161.02461	100.0
162.02802	3.7
175.04007	0.7
177.05626	1.0
179.03522	16.8
180.03903	0.5
203.03519	3.1
221.04671	1.9
221.06615	0.5
245.04514	0.7
268.48581	0.4
323.07660	0.4
443.11874	0.5
468.01028	0.3
503.14130	7.4
504.15005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	2.2
57.03451	43.2
59.01384	73.8
61.98827	1.7
69.56211	5.7
71.01384	28.4
73.02949	9.0
81.03466	2.0
83.01394	4.4
85.02958	7.9
87.00884	2.7
89.02445	28.1
95.01418	2.3
98.22545	1.6
99.00896	2.2
99.04523	54.7
101.01804	2.9
101.02442	32.3
107.06265	1.2
109.02950	3.3
113.02470	13.2
114.20046	1.2
116.92863	1.9
117.81407	1.2
119.02715	1.6
119.03494	9.7
123.04541	2.9
123.20557	1.3
123.28373	1.4
125.02455	29.6
128.03528	3.0
130.08711	2.7
131.03482	1.4
131.09077	1.1
133.02963	15.3
134.03734	3.8
135.04535	100.0
136.04893	2.9
137.02409	1.3
143.03482	3.5
144.08260	1.4
145.02890	1.5
147.04543	1.5
157.02957	1.2
161.02455	51.2
161.04590	4.8
162.02798	2.5
175.03990	2.9
177.05544	1.8
179.03500	83.7
179.10780	2.3
180.03833	4.4
197.11754	7.9
221.04526	2.4
243.06593	3.1
253.08678	1.7
255.06564	1.6
257.08218	2.0
297.07559	3.0
323.07751	33.1
324.08029	2.7
341.09134	6.8
341.16031	29.1
342.16620	2.2
358.83688	1.3
359.17120	59.8
360.17514	4.4
401.18256	8.7
417.97070	1.3
441.21292	4.5
459.12756	2.1
503.11850	5.3
503.20914	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31041	1.9
56.50774	1.9
57.03450	84.0
59.01382	89.2
60.37828	1.7
61.98843	3.6
67.34155	1.8
69.20226	2.7
69.20545	18.0
71.01388	46.8
73.02953	41.5
75.00854	2.5
79.05525	2.3
79.80762	2.0
81.03452	5.8
81.11183	2.0
82.40874	1.8
83.01379	10.0
85.02963	6.0
87.00880	2.0
89.02451	22.3
94.50111	1.8
95.01341	3.0
98.21793	3.5
99.04526	100.0
101.02446	62.9
103.55156	2.1
106.03119	2.2
109.02969	18.4
111.31475	2.1
113.02460	29.5
113.06062	3.5
116.92822	2.6
119.03483	11.9
123.04523	26.0
125.02452	54.4
128.03540	3.2
131.03525	3.5
133.02957	6.1
135.04552	17.9
141.05595	3.4
143.03516	7.8
145.02925	11.7
149.04538	6.3
153.05597	5.1
161.02493	18.0
161.04576	23.0
161.06071	6.8
175.04022	2.3
179.03531	14.8
179.05606	8.0
187.04047	5.8
201.01920	4.6
203.03629	2.3
203.05571	2.0
217.05118	2.3
221.06670	5.3
239.03485	8.3
253.05003	6.5
255.06668	6.0
261.04111	2.2
263.07913	3.8
281.04590	21.1
282.05240	4.1
295.06250	2.4
297.07693	9.1
323.05386	3.4
333.99036	2.1
337.07068	2.8
341.06558	41.1
341.15833	2.1
383.07736	9.1
503.11972	11.6
503.21414	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	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80625	1.6
51.99240	1.4
53.05664	1.5
57.03452	89.2
57.55863	1.6
58.00586	1.6
59.01382	96.2
67.21387	1.5
69.03485	2.1
71.01387	39.8
71.32786	3.0
72.99290	2.0
73.02950	37.8
75.00884	14.7
79.05538	3.0
81.03468	6.5
83.01389	10.6
85.02952	7.4
87.00860	2.4
89.02456	17.6
93.03455	2.5
95.01396	3.8
97.06589	2.5
99.00881	5.0
99.04525	100.0
99.92628	1.9
101.02457	62.2
101.19298	1.8
104.68415	1.8
109.02985	13.7
109.06612	2.9
113.02453	22.4
113.06043	4.3
114.05595	3.3
116.92864	16.9
117.01952	6.3
117.05614	1.9
119.03516	10.5
123.04549	25.7
125.02461	52.6
128.03532	6.5
130.08687	2.0
131.03513	4.4
133.02946	3.9
135.04529	10.6
141.05530	3.1
143.03499	10.8
145.02954	6.6
149.04628	8.5
153.05562	6.6
158.51915	1.8
161.02525	13.5
161.04562	20.3
161.05972	3.2
168.62720	2.1
175.04022	2.0
179.03506	10.7
179.05618	9.7
203.03679	1.7
221.06714	6.7
243.06601	4.3
253.08806	2.5
255.06458	2.0
279.06567	2.2
281.04578	5.4
283.06088	2.1
295.05988	3.1
297.07687	8.9
341.06387	11.5
383.07660	15.1
413.08755	2.8
459.22180	3.2
469.17529	3.1
485.25058	3.7
503.12094	20.7
503.20374	16.9
504.21002	2.3
526.38055	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37788	1.1
56.48923	0.9
57.03451	84.4
59.01385	30.3
61.98818	2.0
70.26700	3.4
70.27921	0.9
70.52032	0.9
71.01387	11.6
72.99288	1.1
73.02953	7.0
81.03463	1.8
83.01391	2.8
85.02944	3.2
87.00896	1.0
89.02465	6.3
95.67743	1.0
97.06600	7.6
99.00884	1.8
99.04527	67.5
99.08178	2.0
100.04918	1.1
101.02452	19.4
113.02450	5.3
113.06133	1.0
119.03514	1.5
123.04533	3.2
125.02456	32.4
135.04529	1.2
143.03493	1.7
149.04515	2.3
153.12859	69.7
154.13229	2.1
160.30965	0.9
161.02394	1.6
161.04575	3.3
179.05652	1.0
179.10793	21.2
197.11838	100.0
198.12184	5.0
236.15512	1.1
252.61055	1.0
349.63205	0.9
443.42020	1.1
503.24454	1.6
503.32755	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	503.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12654	2.3
57.03446	9.9
59.01391	100.0
59.05770	2.3
61.98825	7.3
71.01392	14.2
71.32822	3.4
73.02958	22.6
78.95916	8.9
82.95416	15.3
83.01402	3.2
85.02991	6.0
87.00967	3.1
89.02467	10.1
93.78731	2.6
96.00958	6.8
96.96966	3.2
99.04532	6.4
100.32739	2.2
101.02455	10.1
109.06577	3.2
111.02003	3.0
113.02492	11.6
119.03559	3.5
125.02454	4.6
130.08783	4.0
133.02979	6.0
135.04538	17.1
141.21452	2.7
143.03448	3.0
161.02463	24.6
161.04590	4.7
163.11334	2.7
179.03554	10.2
187.11311	3.3
189.07065	9.6
195.75931	2.4
205.12337	4.7
281.06659	3.3
281.13977	46.0
305.14032	5.1
318.94250	2.6
341.08920	7.5
359.17224	4.4
441.65421	2.8
459.33203	5.9
503.27405	8.8
504.28595	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	503.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32903	1.0
68.27098	1.2
77.64491	0.9
78.95450	2.5
78.95909	46.4
79.05616	0.9
80.27068	1.2
81.63884	1.0
90.69343	1.1
96.96970	2.3
98.22519	3.2
100.17976	1.0
138.51190	1.2
143.25584	1.1
150.98022	1.2
152.99597	63.0
171.00659	18.4
227.03224	2.4
231.21178	35.3
232.21498	1.9
245.04323	100.0
246.04645	3.2
275.20175	40.3
276.20538	3.1
339.04715	1.1
359.62082	1.3
503.24225	19.4
504.24011	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	504.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
59.01379	100.0
61.98831	11.0
66.04536	3.9
69.09922	28.2
69.10326	10.5
71.01371	8.3
98.22575	8.9
99.04497	5.9
103.00378	13.0
103.01500	76.0
143.99567	3.7
152.99529	6.4
158.05377	4.5
161.02519	5.6
435.46011	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	504.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77977	0.9
61.98837	100.0
62.76272	0.9
66.27343	0.9
69.13912	9.0
78.95883	1.0
98.21778	1.4
113.69788	1.0
147.31102	0.8
178.53735	0.9
223.36551	1.0
281.00320	1.0
308.59732	0.9
340.34769	0.9
442.63174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92088	0.1
59.01375	0.4
71.01398	0.1
71.87820	0.1
78.95911	7.2
79.57256	0.1
83.05048	0.1
96.96974	0.2
98.22527	0.2
99.00877	0.2
111.00858	0.1
124.05760	0.1
152.99590	1.7
156.00677	0.5
164.75163	0.1
168.04327	1.6
171.00615	0.2
182.19734	0.1
219.92999	0.1
224.06953	1.0
227.03563	0.1
242.08011	2.3
245.04332	0.3
261.22324	0.4
277.21759	4.2
279.23306	100.0
280.23654	7.5
504.30994	5.6
505.25238	0.9
505.31653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91939	0.3
69.76642	1.7
77.41617	0.4
78.95914	21.8
79.29816	0.4
115.05502	0.4
118.73254	0.4
152.99579	2.7
168.04338	3.0
177.61969	0.4
208.12407	0.4
224.06949	9.4
242.07985	2.3
277.21716	2.3
279.23328	100.0
280.23685	7.4
504.31064	19.1
505.31757	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	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24565	0.9
57.03456	7.3
59.01388	13.2
59.46257	1.1
61.98826	9.3
69.95954	2.9
71.01388	8.2
73.02949	1.9
83.01405	1.2
85.02950	1.9
87.00857	1.0
87.15749	1.0
89.02444	3.2
91.60666	1.0
96.96014	1.0
99.04540	5.5
101.02448	5.0
102.97637	1.1
106.43726	1.0
113.02441	2.3
116.92855	1.5
119.03528	0.9
120.72382	1.1
125.02457	3.2
127.05124	1.5
128.03549	3.7
130.08743	1.0
131.80956	0.9
133.02977	3.8
135.04552	4.8
147.04488	1.1
149.06125	1.1
160.01604	1.0
161.02448	11.8
161.04591	1.3
162.02811	3.6
163.02951	1.6
165.07156	2.4
167.04942	2.4
169.06627	1.5
175.03952	1.0
179.03438	2.9
180.05801	2.0
181.06557	5.6
183.04645	1.2
185.06067	1.6
188.93584	1.0
191.05023	2.6
192.00905	1.0
193.06607	3.7
195.04562	1.3
196.05310	1.1
197.06230	0.9
199.04291	2.1
199.07593	2.0
203.03419	1.0
207.04541	1.2
208.05347	5.9
209.06091	43.5
210.06566	1.6
211.04042	1.3
211.07570	2.1
212.04651	2.0
214.02629	1.6
217.05067	3.0
219.04543	12.0
220.05293	5.3
225.05452	5.0
227.03552	2.1
227.07109	12.3
228.04262	1.9
231.02664	1.2
235.04079	5.8
236.04794	23.2
237.05579	79.7
238.06010	5.9
242.40678	1.3
252.04234	1.6
253.05032	6.6
255.06667	12.8
261.03876	2.3
263.03528	1.2
271.06076	4.3
281.04587	15.6
282.05179	2.2
299.02335	1.9
299.05600	14.5
315.05109	2.0
329.06610	2.2
341.06580	1.4
343.04602	100.0
343.21234	1.8
344.04987	6.5
385.05585	5.5
489.40048	1.1
505.12253	2.3
505.26398	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68037	0.7
61.98813	0.9
70.22296	0.7
70.51782	2.0
95.48477	0.7
119.68266	0.7
121.02965	100.0
122.03311	2.1
161.21684	0.8
181.06641	3.6
197.06079	2.3
207.04535	1.8
225.05606	3.1
257.09906	1.1
263.33475	0.7
279.30566	0.9
313.07202	5.8
357.06287	1.2
383.07333	1.0
417.09787	11.3
418.10013	1.2
505.11356	6.5
506.12027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76645	0.8
59.85987	0.7
68.21815	0.8
69.51534	2.0
69.51942	2.5
71.01379	3.0
72.12306	0.9
74.63215	0.7
78.94044	0.6
79.19307	0.6
79.33006	0.7
93.03459	5.2
96.96036	1.4
97.22959	0.6
108.02192	9.8
109.02232	1.4
109.02969	19.5
110.02472	2.0
115.00378	4.2
119.05009	1.5
121.02939	1.3
122.03728	4.3
123.04546	0.7
129.10353	1.0
133.02946	2.8
133.06587	1.2
134.03642	0.8
135.04549	13.2
137.02414	1.0
145.06622	1.8
147.04526	1.3
148.05299	0.8
149.06004	1.0
155.92609	0.7
159.04454	0.7
161.02509	1.1
161.06160	4.1
163.04005	1.1
165.23199	0.6
167.03830	1.2
179.03513	7.3
185.06145	0.8
225.05562	0.9
226.06366	13.5
227.07150	26.9
228.07425	1.0
239.07191	1.9
242.18802	3.0
244.02867	2.4
253.08728	8.1
254.09174	1.4
255.10281	100.0
256.10654	6.1
281.08185	2.3
299.09283	5.0
343.08243	5.3
389.12186	0.9
406.16708	0.7
487.22314	1.0
505.13556	36.7
506.13947	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	505.1355
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
51.05016	1.2
57.03446	4.2
59.01373	5.2
69.94053	6.4
71.01376	7.5
79.29386	1.3
88.04001	1.4
93.03467	10.8
99.04512	4.1
101.02454	2.5
107.05042	1.6
108.02177	6.9
109.02944	19.7
115.00358	10.3
117.03568	1.6
118.28630	1.5
119.05044	12.8
121.02972	3.0
122.03703	3.8
123.04530	2.1
125.02439	2.4
128.03523	2.5
129.45369	1.3
132.08534	1.3
133.02963	3.1
133.06606	2.5
134.03746	2.5
135.04535	71.3
136.04860	2.4
145.02939	2.3
147.04539	2.4
148.05313	2.7
149.06114	2.2
161.02461	6.2
161.06096	5.5
163.04024	4.6
171.04562	1.8
173.02538	1.5
174.03271	1.7
175.04027	3.3
179.03510	42.7
180.03854	2.0
187.03995	3.8
199.09792	3.9
209.06024	1.6
210.06824	1.7
210.10764	1.4
225.05519	1.5
226.06310	10.8
227.07129	77.6
228.07361	3.3
237.09198	1.6
239.07143	6.5
253.08807	8.6
254.09273	2.0
255.10275	100.0
256.10535	7.5
266.05795	3.1
281.08197	14.9
299.09271	11.0
323.09512	2.2
325.07303	4.2
341.09030	2.9
343.04480	2.8
343.08154	12.9
356.21545	1.5
379.28009	1.5
505.13516	23.0
505.24777	1.7
506.14325	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	5-Hydroxycampenoside
Peak:m/z	Relative Intensity
57.50557	0.5
59.01376	1.3
64.11560	0.5
67.29557	0.5
69.01286	0.4
70.65006	0.7
70.65359	1.0
71.01379	1.5
79.38943	0.6
88.36972	0.4
89.02454	1.3
101.02452	1.0
101.44456	0.5
108.02180	0.6
121.02985	0.7
122.56680	0.6
123.04513	0.5
131.05002	0.8
134.03654	0.5
135.04492	0.9
139.18394	0.4
145.02957	3.9
146.03734	2.6
147.04523	3.1
158.02498	0.9
158.03740	12.7
159.04541	2.4
161.06096	1.9
163.04027	0.9
165.05597	5.2
168.53503	0.6
171.04572	0.8
175.03957	0.5
176.04813	1.8
179.05623	0.6
183.04562	0.6
189.05630	1.1
207.06636	1.8
208.03731	0.9
209.06027	0.5
223.07564	0.9
231.08151	0.7
234.06664	0.7
235.07594	1.7
236.08354	1.1
237.05493	0.6
237.09271	0.6
238.06364	0.6
247.07683	1.0
251.07121	1.3
252.07858	1.2
253.08714	1.9
254.05844	0.7
254.07007	0.6
254.09438	4.6
255.06752	0.5
256.55832	0.6
258.06693	0.7
259.07629	0.8
263.07132	3.9
264.07822	1.3
265.05099	0.9
265.08713	3.7
267.06595	0.7
268.07394	2.5
275.07263	3.4
276.07932	1.3
277.08701	2.0
279.06653	2.8
280.07413	18.5
281.08142	5.6
282.08902	6.0
283.09769	5.8
291.06659	3.1
292.07462	2.8
293.08224	6.6
294.08975	16.5
295.09760	28.4
296.10165	1.7
297.07697	0.8
298.08441	1.6
307.09808	0.7
308.06903	0.8
309.07684	19.2
310.08463	30.1
311.08853	1.5
313.10825	23.1
313.14478	1.1
314.11191	1.4
325.10825	100.0
326.11182	7.2
338.10397	0.5
343.11880	9.8
475.16162	7.3
475.22693	0.9
476.16476	1.1
487.16125	9.1
488.16718	0.7
505.09949	0.6
505.17297	10.4
506.17447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37306	0.4
58.86147	0.4
58.99607	0.4
59.01384	1.1
69.18229	3.0
78.95911	13.1
96.96964	0.9
98.21780	0.9
150.98041	0.5
152.99606	18.7
171.00606	2.5
227.03247	2.8
233.22487	0.4
245.04295	2.5
259.20673	0.5
277.21744	100.0
278.22086	6.3
279.23288	0.9
280.23621	2.5
296.92725	0.4
505.25772	27.0
506.25961	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	506.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25453	0.7
61.98836	100.0
70.94092	0.6
71.32191	1.0
73.12711	0.6
73.33957	0.7
74.74476	0.6
74.74909	0.6
75.35480	0.6
87.40967	0.6
101.49144	0.5
116.31040	0.5
257.01675	0.7
278.88947	0.7
286.86346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70343	1.1
51.32871	1.0
55.99115	1.0
57.03443	2.8
59.01363	1.8
61.98834	100.0
63.07159	1.3
63.68563	0.9
69.34726	6.0
69.35133	2.2
71.01366	1.9
80.56911	1.2
83.33131	1.2
85.02991	1.8
90.50478	1.1
98.21766	2.5
101.02431	1.7
103.68287	1.2
106.06468	1.2
106.55117	1.1
109.06643	1.1
113.02454	1.5
116.92820	1.4
128.94962	1.1
131.59541	1.1
133.02986	1.8
161.02467	1.9
177.41516	1.2
184.23708	1.2
345.22781	3.9
418.29068	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	506.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51046	0.5
54.95461	0.4
56.28405	0.5
57.03460	0.6
59.01391	1.4
61.98836	100.0
65.33754	0.4
71.01396	1.0
71.33354	0.5
71.33784	0.6
83.01421	0.5
89.02464	0.5
96.01067	0.4
99.04514	0.6
101.02531	0.6
108.77655	0.4
113.02470	0.6
113.32872	0.4
116.92886	0.5
120.55156	0.5
121.80797	0.4
125.02497	0.6
135.04572	0.7
161.02557	0.7
211.12250	0.5
223.93846	0.5
229.13060	0.8
470.29715	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	506.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02163	1.0
54.11071	1.1
57.03438	2.6
58.00584	1.5
59.01382	20.1
61.98841	9.3
71.01384	16.0
71.18314	2.7
72.00897	1.2
72.99308	1.0
74.02476	100.0
83.01384	2.3
85.02957	3.8
87.00868	1.9
89.02435	9.1
95.01401	1.4
99.04530	2.6
99.20657	1.2
99.93597	1.4
101.02438	8.9
101.70193	1.2
112.04026	2.7
113.02468	5.5
116.92870	4.1
118.05072	6.6
119.03493	3.1
161.02420	1.2
161.04547	2.2
181.12396	1.5
206.74612	1.5
212.16539	5.7
253.58253	1.5
256.15585	2.0
297.99576	1.2
405.21082	1.9
462.23425	61.3
463.23804	5.2
506.26086	82.4
507.26892	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	507.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.1
58.00583	4.3
59.01385	100.0
60.79692	1.3
61.98831	5.0
67.01894	3.2
69.08281	14.1
71.01388	70.3
72.99312	6.6
73.02934	5.0
74.02507	1.7
83.01381	3.8
85.02971	14.1
87.00881	4.6
89.02450	79.7
93.03468	38.3
94.03739	1.3
95.01380	5.8
99.04517	8.8
101.02447	37.1
108.02192	9.8
111.00887	58.6
113.02458	25.3
119.03506	31.4
119.05023	5.5
120.05434	1.5
121.02961	6.1
125.02441	6.5
127.05132	2.1
128.03548	6.1
131.03516	3.9
135.04530	4.6
138.01982	1.8
143.03470	6.9
145.06529	2.6
149.04535	3.4
156.05815	3.9
161.02419	3.0
161.04596	9.1
161.05730	1.9
163.04050	2.1
168.42593	1.4
169.06578	5.3
171.08165	39.3
172.08556	2.8
179.03462	2.4
179.05620	17.0
185.06120	4.3
195.08162	35.1
196.08722	2.3
197.09717	20.6
199.07649	1.4
201.11282	4.5
209.09669	1.8
211.07703	9.0
223.07614	5.2
229.08594	2.1
237.09253	1.7
239.10785	34.4
240.11079	1.8
241.08749	5.2
283.09781	55.2
284.10117	3.4
301.10831	5.9
302.21158	1.5
326.21286	2.9
327.08734	9.2
328.22852	8.0
334.18137	1.5
344.05042	2.0
344.62088	1.4
345.05151	1.7
345.19363	2.0
345.23096	5.4
346.23883	49.1
507.25732	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	507.1876
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.07879	1.3
51.54531	1.4
59.01381	1.9
61.98820	2.2
65.17487	1.3
69.22578	8.9
69.22986	2.2
85.30907	1.4
104.14157	1.3
119.05042	1.7
119.49405	1.6
123.04541	2.1
133.06602	3.5
135.85568	1.7
143.05022	2.2
145.06572	3.0
146.03717	9.2
147.04520	1.3
148.05328	2.3
149.06180	2.3
155.04935	1.6
158.03825	2.3
160.05289	9.1
161.06091	29.3
163.04022	2.8
163.07658	46.9
170.71631	1.6
172.05316	5.6
173.06085	56.2
174.06395	2.3
178.06363	2.9
189.05606	3.5
190.06337	10.4
191.07156	57.6
193.05038	2.6
207.06604	3.2
237.73058	1.7
282.09024	8.0
285.11270	6.8
294.08969	5.0
297.11365	14.6
309.11362	3.2
315.12402	30.2
327.12378	36.5
328.12643	2.0
345.13425	100.0
346.13824	6.1
417.10385	1.8
443.43466	1.5
507.18744	44.8
508.18903	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.6
58.38990	0.9
59.01092	1.8
59.01382	34.4
59.13443	0.9
61.98811	1.0
69.54996	4.8
71.01383	24.4
72.99297	2.0
77.84711	0.8
79.50526	0.7
85.02953	4.8
87.00861	1.9
89.02450	29.0
93.32536	0.8
95.01345	1.0
101.02444	16.6
113.02461	11.1
119.02666	1.1
119.03519	16.3
121.06585	1.0
131.03497	1.3
137.52226	0.8
143.03511	4.1
145.06615	2.4
149.78412	0.8
161.04533	4.4
179.05615	15.5
213.12837	26.8
214.13077	1.1
224.79863	1.0
253.15971	3.2
255.13925	1.1
255.17624	5.2
257.19153	14.1
281.15482	3.4
283.17056	17.0
284.17465	1.7
297.18436	1.0
301.18091	7.7
327.16037	61.7
328.16455	5.1
341.17596	1.8
345.17072	100.0
346.17383	7.4
387.18106	17.2
388.18387	1.6
507.22354	77.7
508.22589	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	507.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
61.98844	9.0
65.11066	3.7
66.21529	4.5
70.84769	7.0
86.23061	3.7
97.02927	5.7
104.77647	3.8
202.20934	4.7
216.62123	4.0
279.00089	4.4
291.19650	12.4
309.20786	100.0
310.21124	5.9
339.49310	5.2
382.15381	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
57.03451	3.3
58.00588	4.6
59.01383	78.9
71.01387	100.0
71.31969	1.6
72.99304	4.3
73.02953	18.2
81.62905	1.7
83.01401	9.4
85.02465	2.4
85.02952	29.9
87.00858	5.6
89.02451	76.3
95.01400	6.4
97.02964	2.1
99.00886	5.5
101.02451	72.6
113.02464	41.2
114.02763	1.5
115.03982	1.3
119.03507	34.3
125.02451	4.8
131.03477	8.6
141.66180	1.5
143.03583	10.5
149.04546	3.8
159.03053	2.0
161.04556	31.6
179.05620	58.9
221.06633	17.6
345.19287	10.5
429.58752	1.8
507.24506	69.8
508.24799	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	507.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26219	9.4
57.03444	12.5
59.01382	100.0
59.01859	9.0
60.04650	8.7
61.98837	19.1
62.78956	9.2
70.95058	15.9
70.95388	13.2
71.01397	66.7
71.04986	8.7
71.34232	9.2
71.40035	9.2
72.99329	12.7
73.02933	10.2
87.00958	11.8
88.54729	8.8
89.02454	72.0
99.00890	14.2
101.02457	42.0
113.02473	26.6
119.03519	26.1
129.10495	9.7
133.03011	11.8
149.04633	22.5
157.90996	14.6
161.02293	10.1
161.04610	11.6
179.05617	12.3
181.94235	8.6
228.13600	15.3
306.35391	9.4
314.11325	10.5
318.40213	10.9
323.79861	9.6
326.34079	12.5
327.16125	33.2
345.17111	30.9
363.20169	12.2
427.25644	30.8
447.22665	47.9
507.22299	24.4
507.31799	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33295	0.4
64.19705	0.4
73.10291	0.5
78.95908	18.2
93.85073	0.4
96.96977	1.1
98.22552	1.7
152.99597	27.5
171.00677	1.3
227.03282	2.6
245.04308	1.8
248.09949	0.5
251.44545	0.5
279.23294	100.0
280.23615	7.7
281.24899	2.0
282.25180	3.8
433.23856	3.1
507.27228	27.5
508.27841	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89680	0.6
59.33635	0.7
66.30452	0.6
70.35535	2.4
70.35878	0.6
71.49091	0.6
78.95911	27.2
96.96970	3.3
112.84985	0.5
152.99614	52.2
170.89366	0.8
171.00645	2.6
227.03268	2.5
279.23315	100.0
280.23691	6.4
281.24835	3.1
282.25229	5.6
308.97836	0.7
397.52069	0.7
398.29559	0.7
433.23672	7.5
507.27325	28.6
508.27737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
59.02883	0.3
64.02287	0.4
64.39074	0.4
67.23568	0.5
70.94247	0.8
78.95910	22.6
96.96975	2.3
150.97987	0.7
152.99602	37.8
154.89850	0.5
167.18253	0.4
171.00604	2.5
196.89502	1.0
227.03242	3.1
236.34238	0.4
245.04330	1.3
261.22189	0.5
279.23309	100.0
280.23669	6.3
433.23712	4.0
434.24030	0.6
507.27295	30.0
508.27438	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	508.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53321	3.0
57.13493	3.5
59.01388	76.6
61.91235	3.3
61.98829	9.9
64.70370	4.0
69.18424	33.0
71.01386	58.5
72.99316	3.2
73.02934	11.9
80.24477	3.5
83.01413	4.5
85.02974	3.5
85.19008	4.1
87.00871	5.3
89.02455	100.0
96.45415	3.5
99.00891	31.1
99.04512	4.2
101.02449	41.5
108.72487	3.3
113.02470	17.6
119.03534	6.0
125.02441	6.5
131.03517	14.0
132.02187	6.8
133.03001	5.3
134.03761	9.7
135.04539	47.5
136.04903	3.9
143.03589	3.4
145.02904	7.1
149.04568	72.2
160.01706	13.7
161.02484	16.8
161.04517	6.7
175.03978	19.6
179.03528	24.5
191.05675	17.7
193.05083	12.8
197.94707	3.7
221.06659	5.9
233.83351	3.4
235.06331	4.2
265.07291	3.5
280.03979	3.8
303.19662	3.9
308.24777	3.9
329.17624	8.4
337.09171	5.4
347.18704	60.7
368.66516	3.7
509.23605	24.9
518.15186	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	508.2919
Annotation	Veracevine
Peak:m/z	Relative Intensity
52.06102	0.2
52.89454	0.2
55.01858	0.2
57.03459	0.3
59.01363	0.4
59.17962	0.1
59.42772	0.2
69.06181	0.2
69.06503	1.9
71.01381	1.3
73.02955	0.4
83.01402	0.2
85.02937	0.7
87.11188	0.2
93.03466	1.3
95.01437	0.2
99.00855	0.2
101.02435	0.7
102.49873	0.2
108.02180	17.3
109.02472	0.3
110.03719	0.4
113.02441	0.7
121.02963	10.2
122.03779	2.3
123.04497	0.3
134.03732	0.6
135.04512	0.5
136.05319	0.2
154.91046	0.2
161.04623	0.5
198.10175	0.2
219.13902	0.2
233.15489	0.5
259.16965	0.2
260.16541	3.1
273.17319	0.4
286.19070	0.2
287.20288	1.8
288.19919	0.2
299.19009	0.2
302.21283	3.5
312.19769	0.4
316.22839	0.3
318.24338	0.6
326.21252	5.0
327.21619	0.5
328.22827	15.5
329.23187	1.3
344.22192	0.3
345.23096	11.3
346.23865	100.0
347.24188	8.3
348.33893	0.2
388.25058	0.5
393.26416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78967	4.8
55.20819	5.9
59.01383	39.6
61.98831	17.2
70.55950	5.8
70.56276	13.0
71.01396	26.5
73.02962	9.8
85.53828	5.6
87.15765	5.3
89.02451	71.8
99.00899	18.7
101.02438	40.6
117.44550	5.8
131.03508	10.6
149.04562	100.0
161.04550	8.0
191.05684	20.5
221.06636	15.7
251.07689	7.5
266.21112	5.5
293.08908	12.5
311.09869	22.6
509.14694	6.0
527.95294	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	509.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52207	1.6
53.84148	1.9
56.59663	2.4
57.03455	100.0
58.00601	3.0
59.01386	94.5
69.43363	9.7
69.43768	5.1
71.01391	47.0
71.02501	1.7
72.99326	2.1
73.02957	30.8
81.03458	4.1
83.01397	9.1
85.02962	9.3
89.02455	35.4
93.51385	1.9
95.01422	3.3
97.06599	1.9
98.22483	2.8
99.00895	2.2
99.04527	78.4
101.02459	58.2
103.56754	1.9
109.02942	2.6
113.02465	26.6
113.03220	2.8
113.03600	1.9
113.06097	3.5
119.03525	14.3
119.05049	3.7
123.04533	15.1
125.02463	33.5
127.05057	1.9
131.03543	4.4
141.05559	2.5
143.03517	10.1
149.04578	4.2
161.04578	15.0
177.01964	4.1
179.05620	20.8
185.02220	6.9
203.12976	2.3
323.09924	2.5
347.17200	28.3
348.17191	2.3
365.18201	39.0
407.19263	8.4
456.22824	2.0
509.22433	36.7
510.22580	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	509.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.2
61.98828	3.2
63.38030	1.6
69.08286	14.8
69.08688	3.1
78.95917	4.6
79.86536	1.7
127.07652	4.2
129.14539	1.6
137.60344	1.7
145.30232	1.7
183.13919	12.1
184.35616	1.7
213.14928	3.9
214.05963	1.8
241.14558	2.4
293.21335	3.4
311.22324	100.0
312.22687	7.8
389.93732	2.0
442.91232	2.0
509.25345	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	509.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
61.98824	3.1
69.08961	18.1
78.95905	1.9
87.04516	7.8
104.09024	2.0
223.17027	21.9
228.55363	1.8
235.16870	2.5
275.19992	2.6
275.30643	1.8
293.21140	2.0
309.20898	2.9
311.22318	100.0
312.22601	5.7
373.92874	2.0
394.60806	2.1
509.25183	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	509.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.2
61.98828	3.2
63.38030	1.6
69.08286	14.8
69.08688	3.1
78.95917	4.6
79.86536	1.7
127.07652	4.2
129.14539	1.6
137.60344	1.7
145.30232	1.7
183.13919	12.1
184.35616	1.7
213.14928	3.9
214.05963	1.8
241.14558	2.4
293.21335	3.4
311.22324	100.0
312.22687	7.8
389.93732	2.0
442.91232	2.0
509.25345	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
71.36579	0.8
78.95907	15.2
90.23497	0.6
92.56473	0.8
96.04424	0.6
96.96959	1.1
152.99593	26.2
153.32889	0.7
160.21481	0.6
171.00616	0.7
182.93283	0.6
182.99181	0.5
196.89516	1.7
227.03265	4.3
245.04341	1.2
281.24872	100.0
282.25214	6.4
296.16260	0.7
365.74197	0.6
404.95920	0.6
509.28873	46.2
510.29050	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	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11060	7.6
71.32465	11.5
78.95918	66.4
96.96983	9.2
141.09897	7.1
150.98128	7.9
152.99629	100.0
185.06096	7.1
190.40298	9.1
196.89517	28.6
281.24957	62.3
435.25238	12.6
509.28918	28.2
510.84906	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
57.49015	0.4
59.01391	0.7
60.86971	0.3
61.98834	100.0
65.99702	0.4
69.14013	3.6
78.95905	0.3
80.13572	0.3
98.21765	0.5
99.04543	2.0
101.02454	0.6
104.08820	0.3
120.44134	0.4
121.02958	6.8
121.03756	0.5
125.02486	0.7
137.84380	0.3
184.50613	0.3
269.23468	0.4
317.98871	0.4
336.30762	0.4
439.67798	0.3
510.24786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01380	0.8
61.21701	0.3
61.98833	100.0
69.03671	3.5
71.01393	0.5
72.05650	0.3
78.57981	0.3
84.05371	0.4
98.21805	0.7
99.04529	0.6
101.02465	0.5
106.79198	0.4
133.03171	0.3
174.03305	0.8
203.09140	0.4
211.13362	3.8
253.09367	0.8
447.22488	1.5
475.11972	0.3
510.25256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55881	1.1
62.61873	1.4
70.62175	3.6
78.95908	22.3
83.81391	1.1
96.00903	1.6
99.62108	1.4
140.01224	4.4
156.78842	1.2
196.03770	9.1
214.04922	2.5
253.98566	1.5
255.23303	100.0
256.23508	6.0
396.87753	1.7
452.27838	50.9
452.34116	2.9
453.28128	4.6
495.32510	1.4
500.19275	1.4
510.23486	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	510.308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42710	0.3
57.03444	0.9
59.01377	1.3
61.98833	1.3
69.28474	1.7
69.28899	0.9
71.01392	2.5
75.84846	0.3
77.74298	0.3
78.65878	0.3
81.03484	0.8
85.02950	1.0
89.02467	0.4
93.03463	0.9
98.91216	0.3
99.00881	0.4
99.04560	1.5
100.97935	0.3
101.02472	1.5
108.02190	22.2
109.02484	0.5
112.61952	0.3
113.02468	0.9
114.05608	0.5
115.00410	0.4
119.03457	0.4
121.02979	12.1
122.03774	2.3
125.02458	3.5
130.08771	0.5
135.04552	0.7
136.05409	0.3
148.49788	0.3
161.02455	0.5
161.04558	0.5
163.11369	0.4
205.12361	0.8
285.12112	0.3
319.11505	0.3
326.21118	0.4
330.24454	0.6
337.99792	0.3
346.23911	1.6
347.20383	0.7
347.24695	16.8
348.25473	100.0
349.25806	7.9
390.26794	0.4
478.15909	0.5
510.32852	0.7
511.22473	0.4
530.90344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92916	2.1
57.03450	7.2
59.01383	14.8
59.66781	1.8
61.04312	2.0
61.98819	3.7
71.01388	8.2
73.02951	2.2
73.65457	1.8
75.13306	2.0
77.48481	1.9
81.03468	9.3
85.02984	3.0
86.56571	1.9
88.04074	2.0
89.02464	8.9
89.63982	1.8
96.00924	10.0
99.04520	10.0
101.02449	6.6
113.02451	5.7
113.03606	2.3
123.04559	3.5
125.02457	36.3
126.35715	2.3
129.29634	2.0
130.08751	2.7
132.02153	2.5
133.02971	28.2
135.04523	28.1
143.03506	8.2
149.06142	2.9
161.02458	100.0
161.04543	4.8
162.02846	3.7
177.02014	2.7
179.03502	26.9
179.05618	7.4
183.15038	3.1
186.12503	7.0
203.03474	3.5
204.13344	2.4
215.05627	2.4
227.14082	12.3
245.06743	3.8
305.08746	10.1
341.08795	30.3
347.17819	2.2
511.29025	16.0
531.40491	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	511.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.7
58.56191	2.1
59.01382	27.7
59.61810	2.2
61.98828	13.2
71.01396	20.0
71.32745	4.4
71.35110	2.2
73.02950	2.7
75.00847	2.4
81.03466	16.9
83.01357	2.7
85.02961	4.7
85.69267	2.4
87.00880	2.2
89.02446	18.3
98.02482	2.9
99.04527	18.0
101.02447	16.6
109.02944	2.9
113.02454	9.0
113.07228	3.8
114.05620	16.1
119.03491	5.8
123.04552	4.7
125.02454	50.6
128.03548	4.7
129.66344	2.1
131.03491	2.8
133.02985	26.4
135.04526	24.4
137.09514	2.3
143.03554	2.9
149.04536	7.6
150.58229	2.2
161.02449	100.0
161.04601	7.3
162.02820	4.0
169.01419	3.9
170.09296	4.3
179.03499	27.0
179.05513	7.9
179.07022	2.3
187.11308	2.7
203.03444	4.3
205.04958	2.5
227.14093	2.8
305.08749	3.6
341.08740	30.0
349.14108	2.7
417.21701	2.2
510.29578	7.9
511.19785	7.8
511.29568	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	511.1955
Annotation	Bannaxanthone F
Peak:m/z	Relative Intensity
59.01372	42.4
64.36244	9.4
69.65974	11.1
71.01369	35.2
71.31865	16.6
71.32209	11.0
73.02939	10.7
74.73010	9.7
89.02457	75.1
96.00939	12.0
99.00889	21.7
101.02460	27.8
146.21263	10.3
149.04550	99.0
253.58920	10.9
308.16876	10.1
311.09488	10.7
481.92896	10.6
511.19638	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	511.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98144	0.8
57.03452	76.6
59.01383	100.0
61.98832	5.5
65.35857	0.8
71.01389	27.6
73.02940	6.7
81.03463	2.8
83.01382	3.5
84.20174	0.9
85.02961	8.3
87.00906	1.2
89.02467	1.4
91.45103	0.8
94.08484	0.8
95.01421	2.0
97.02943	1.1
98.21811	2.6
99.00903	2.4
99.04529	83.3
100.04842	1.1
101.02452	21.0
113.02470	7.1
114.05665	1.1
123.04514	1.6
125.01527	1.8
125.02461	37.7
126.00631	1.0
130.08707	0.9
135.08191	2.9
143.03510	4.2
161.02525	1.4
161.04582	12.6
163.07649	0.8
175.07661	13.8
183.74254	0.8
185.09720	2.9
187.11253	3.3
189.09204	1.1
190.10010	9.0
199.92014	1.0
203.05647	7.4
205.12347	23.9
243.08791	1.0
409.18753	1.7
450.27441	1.1
451.22598	1.2
511.21790	1.5
512.19635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.0
61.98838	5.7
69.22149	3.1
69.70103	19.2
92.04851	3.5
96.96030	5.5
99.08166	8.7
99.30536	3.5
129.09229	7.3
154.86821	3.4
183.13905	22.5
219.23570	3.2
220.82870	3.4
241.61264	4.6
311.22116	3.7
313.23883	100.0
314.24222	7.8
371.10068	3.9
488.93707	3.7
511.26797	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	513.2115
Annotation	Gomisin E
Peak:m/z	Relative Intensity
59.01385	13.0
60.44052	4.9
61.98825	10.9
63.09914	5.2
69.06760	32.6
69.07184	18.0
70.96599	4.4
71.01402	13.9
79.41402	5.7
89.02452	20.4
94.08507	5.2
94.62380	5.0
101.02451	13.5
105.54565	4.6
141.94470	6.0
149.04585	7.6
154.59509	5.3
191.05656	6.1
325.56891	5.7
477.23483	69.2
478.24051	6.8
513.21149	100.0
514.21954	10.6
514.29431	8.6
516.36908	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31578	0.6
55.01867	0.7
56.63313	0.5
57.03452	100.0
57.68137	0.7
58.00595	1.2
58.03785	0.7
59.01382	60.7
60.01736	0.9
61.98819	1.6
69.03455	1.6
69.13288	1.7
69.13703	4.9
71.01388	31.1
72.99313	1.6
73.02952	26.2
75.00858	1.4
76.14732	0.6
79.05535	2.6
79.36330	0.7
81.03474	3.6
82.63626	0.6
83.01392	9.9
85.02948	4.2
85.69077	0.7
86.32616	0.7
87.00894	0.8
89.02456	11.0
95.01397	1.7
95.05053	1.7
95.75541	0.7
97.02990	0.8
97.06599	2.3
97.21395	0.6
99.04528	79.2
100.04858	1.2
101.02451	47.6
108.14308	0.8
109.06577	1.7
113.02461	17.5
113.06105	3.4
119.03524	7.1
120.64747	0.6
123.04536	22.2
124.04812	0.8
125.02460	31.5
131.03514	2.1
141.05583	3.8
143.03493	5.4
149.04561	4.3
153.05556	3.0
155.03545	0.9
161.04556	9.0
163.86964	0.7
179.05588	1.8
203.05600	1.0
221.06665	2.2
394.69626	0.9
513.23187	4.8
514.28656	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	513.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68568	1.5
57.03454	92.0
57.82915	1.8
59.01383	92.6
70.37394	5.8
71.01385	22.0
71.37367	1.6
73.02943	6.3
81.03431	2.3
83.01408	3.9
85.02993	8.3
87.85070	1.7
93.19418	1.8
95.32005	1.7
98.22540	1.6
99.00877	2.5
99.04529	100.0
100.04858	2.4
101.02445	25.5
113.02443	7.9
125.02462	43.8
143.03560	2.9
153.93092	1.9
157.61923	1.9
161.04552	16.1
192.11565	6.2
203.05612	6.0
203.64503	1.8
207.13910	44.9
208.14149	2.1
265.28662	1.7
513.22821	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	513.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29409	1.2
56.17995	1.4
57.03451	83.6
58.00602	2.5
59.01380	100.0
61.98859	1.5
69.20113	10.3
69.20517	3.1
71.01385	33.9
72.99295	1.8
73.02946	21.3
83.01418	7.9
85.02969	7.8
89.02443	19.0
95.01388	2.0
99.04525	84.6
100.04926	2.1
101.02449	43.5
113.02454	15.6
119.03540	7.2
123.04521	10.5
125.02453	36.2
127.42824	1.6
131.03537	2.6
137.09738	8.3
141.05634	2.2
143.03470	5.0
149.04550	1.5
161.04604	13.4
179.05669	7.4
263.07590	3.5
286.78552	1.5
323.09851	2.7
513.22852	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	513.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06391	1.2
53.53360	1.1
54.32761	1.1
55.35845	1.2
57.03452	100.0
58.00581	1.2
58.03768	1.1
59.01384	85.9
67.43140	1.2
69.24384	4.2
69.24813	6.9
71.01387	32.8
73.02953	31.8
77.90196	1.3
79.05530	1.8
81.03462	4.1
83.01396	9.1
85.02940	7.7
87.00866	1.2
89.02447	18.1
95.01359	1.4
95.05005	1.3
97.06624	1.6
99.04529	88.5
101.02448	53.9
113.02466	18.9
113.06090	2.4
119.03541	8.0
123.04533	23.6
125.02457	45.7
131.03494	2.8
137.09735	2.9
141.05551	3.5
143.03488	7.2
149.04541	6.5
153.05536	3.4
160.81898	1.1
161.04575	19.9
179.05637	5.1
193.85664	1.2
219.70424	1.3
254.83041	1.2
263.07767	4.1
265.58505	1.3
323.09851	2.6
513.23242	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	513.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19390	0.9
55.01869	1.1
57.03455	76.8
58.03785	1.2
59.01387	36.7
66.15923	1.1
69.03173	10.7
71.01025	1.5
71.01393	19.2
73.02958	2.9
78.95893	1.5
81.03492	1.4
83.01391	1.9
84.02180	28.6
84.02669	1.8
85.02917	2.3
87.00887	4.1
96.96008	2.7
97.02988	1.4
99.00904	1.4
99.04534	69.1
100.04872	1.5
101.02450	18.1
113.02525	1.5
125.02465	34.9
143.03506	1.5
146.25732	1.0
161.04591	2.3
164.96725	1.0
171.00652	1.2
175.69894	1.1
177.12817	1.1
189.12894	1.3
207.13921	100.0
208.14363	5.0
221.81612	1.0
242.22169	1.0
271.22806	1.0
351.18210	13.6
369.19171	28.7
370.19577	2.3
411.20349	13.4
451.23419	3.5
480.81778	1.1
513.23553	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	513.2861
Annotation	fijianolide A
Peak:m/z	Relative Intensity
51.13060	1.5
58.46098	1.4
59.01366	1.9
65.37817	1.5
66.62421	1.5
69.03440	4.0
69.96148	1.7
70.45370	3.2
70.45728	4.5
83.01330	2.2
87.60504	1.6
100.65984	1.6
108.25747	1.7
121.02964	3.1
132.02148	2.1
133.02962	36.2
134.03725	2.8
135.04543	49.0
137.02454	5.3
150.03174	1.5
159.04510	2.9
161.02457	70.4
161.06061	10.9
162.02792	3.0
173.06166	1.9
179.03513	8.7
190.88837	1.7
191.06970	1.8
197.15111	1.6
235.06110	20.6
253.07071	3.5
277.21744	32.2
278.22095	2.3
320.27945	1.8
384.86835	1.5
391.86533	1.7
461.47824	1.8
513.28595	100.0
514.28894	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	513.2861
Annotation	fijianolide A
Peak:m/z	Relative Intensity
53.83728	0.7
59.01381	1.1
61.28749	0.8
69.03468	1.1
70.58081	2.3
101.68846	0.7
102.78783	0.9
121.58538	0.8
129.66373	0.7
133.02968	5.6
134.03745	1.3
135.04552	6.5
137.02507	1.1
149.10008	0.9
159.04510	1.7
161.02464	9.6
161.06096	5.7
179.03484	3.7
205.05148	1.1
235.06114	39.5
236.06407	1.6
265.46976	0.9
277.21741	100.0
278.22131	6.8
319.70602	0.9
483.52838	0.9
513.28607	45.9
514.28741	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89971	0.1
54.12196	0.1
55.01866	0.4
56.68647	0.1
56.75811	0.1
59.01384	7.7
61.23054	0.1
70.88976	0.2
71.01383	5.1
72.99296	0.3
73.02956	1.0
75.63196	0.1
78.75497	0.1
81.03453	0.1
83.01382	0.7
83.05029	0.3
85.02950	1.1
87.00893	0.6
89.02451	3.7
91.04014	0.1
95.01377	0.3
97.02946	0.2
97.89133	0.1
99.00883	0.2
99.31553	0.1
101.02446	4.5
103.04014	0.1
113.02456	1.7
113.07895	0.1
115.04006	0.1
119.03501	0.8
125.02386	0.1
127.07703	0.2
131.03485	0.2
133.05099	0.4
140.27275	0.1
143.03488	0.5
157.05096	0.2
161.04575	1.8
179.05602	0.6
233.22789	0.4
235.08217	1.0
253.09293	16.5
254.09644	0.5
259.20651	0.4
275.20020	0.4
277.21729	100.0
278.22070	6.2
278.25198	0.2
333.86261	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42278	0.1
55.01875	0.4
57.03460	0.2
58.00607	0.2
59.01381	7.3
59.98534	0.1
61.98822	0.1
68.99809	0.1
69.03458	0.1
71.01385	5.9
71.32291	0.1
72.01723	0.1
72.99313	0.4
73.02950	1.2
78.79214	0.0
78.95928	0.1
81.03452	0.1
83.01383	0.8
83.05037	0.2
85.02951	1.4
87.00874	0.7
89.02448	4.2
91.04015	0.2
92.37331	0.1
95.01392	0.4
97.02975	0.2
99.00871	0.3
99.04543	0.1
101.02447	5.1
102.02747	0.1
103.04034	0.1
107.80956	0.1
111.04532	0.1
113.02453	2.3
113.06110	0.1
115.04042	0.1
119.03516	1.2
125.02458	0.2
127.07690	0.3
131.03517	0.2
133.05075	0.3
141.09250	0.1
143.03529	0.5
145.04985	0.1
149.04550	0.2
152.99619	0.1
157.05075	0.2
161.04559	2.3
169.12332	0.1
179.05618	0.7
182.12943	0.1
187.06247	0.1
205.19600	0.1
208.61063	0.1
233.22720	0.4
235.08203	1.0
253.09294	16.2
254.09680	0.6
259.20642	0.4
275.20120	0.4
277.21725	100.0
278.22067	6.6
309.69101	0.1
422.70349	0.1
469.00458	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01730	0.8
55.28604	0.8
58.02986	1.6
59.01389	1.7
69.79566	1.9
69.79961	2.2
70.04026	0.8
71.01375	1.4
71.22180	0.8
73.04076	3.1
74.02483	12.0
82.03008	5.6
84.00911	1.8
84.04569	1.6
87.05663	1.4
88.04025	1.1
96.95990	1.5
98.22487	1.8
99.02020	1.6
102.05624	18.9
109.01733	1.0
111.02058	1.0
111.04618	0.9
113.07228	18.2
114.05560	1.5
115.08792	3.1
123.05669	5.5
124.04065	11.0
125.02474	3.6
126.01995	5.4
127.05164	8.2
128.03560	100.0
129.03896	2.4
141.06702	5.4
146.04625	26.8
152.03584	2.5
153.06702	2.8
155.08305	6.5
156.06714	1.5
159.07756	3.5
160.01636	2.2
166.06207	2.1
166.09967	1.4
167.03391	1.4
167.04666	18.5
170.09276	1.2
184.10909	4.9
185.05695	4.6
195.07800	1.7
198.12465	1.2
211.07271	3.9
213.08852	1.3
223.10858	1.2
224.10443	4.1
237.13583	2.8
255.14659	7.8
262.56424	1.0
266.11505	15.4
284.12601	3.3
293.12457	1.1
298.15677	1.3
323.13571	1.5
341.14664	32.4
341.18762	1.6
342.14847	1.8
349.15186	1.6
384.18991	1.1
385.17236	13.7
426.19855	1.8
447.19742	1.0
452.17883	1.0
470.18945	34.8
471.19244	1.9
484.94357	1.0
514.04559	1.8
514.21558	54.2
515.21881	3.9
542.76062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2848
Annotation	Taurocholic acid
Peak:m/z	Relative Intensity
50.15239	0.5
51.69194	0.5
57.03449	0.6
59.01358	0.7
61.98824	1.3
66.90263	0.5
69.08220	5.4
69.16898	0.5
79.95739	10.5
80.96513	2.7
99.04520	0.9
106.98116	4.2
111.08165	0.6
112.15833	0.5
112.67289	0.6
117.92109	0.5
124.00764	6.7
127.77325	0.6
336.26974	0.5
350.75641	0.5
384.51059	0.5
390.71176	0.6
410.51276	0.6
514.28455	100.0
515.28693	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	514.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82796	0.9
57.03444	2.0
59.01383	3.4
61.98839	1.8
62.22258	1.0
69.81119	1.0
71.01387	3.9
71.32726	1.6
73.02986	1.3
73.04080	1.9
74.02478	3.1
80.08994	1.0
81.02217	3.9
82.02988	3.3
83.02515	13.0
84.00911	12.0
87.05642	1.3
88.04064	4.8
96.00913	10.0
96.04587	1.5
96.37162	1.0
96.96037	4.1
98.02481	15.1
99.04527	2.3
101.02441	2.0
110.02496	7.8
112.04047	6.2
112.07722	1.8
113.03600	1.3
114.01933	1.1
115.00397	4.4
115.08797	3.1
116.07182	34.2
117.07521	1.1
124.07689	22.0
125.02411	1.2
125.07228	2.0
127.05145	2.3
128.03554	3.6
129.10344	18.4
130.08745	13.2
132.03021	2.3
137.68129	1.0
139.08749	1.5
141.10387	1.1
142.05124	1.2
143.11902	2.3
152.07188	1.9
155.08272	9.0
161.04488	1.2
165.10379	4.9
166.08780	1.8
173.09389	1.8
178.44952	1.1
183.11430	1.5
183.14995	1.9
186.12482	6.9
187.10904	1.3
191.08302	2.2
193.13467	3.0
197.16531	2.1
200.13995	1.6
205.74986	1.1
209.09282	10.0
210.16049	1.6
211.54428	1.1
225.16116	2.7
228.17198	2.5
242.18755	36.2
243.19238	1.5
253.08304	95.7
254.08626	3.8
256.20374	1.4
271.09326	1.4
321.85196	1.2
366.16592	6.3
398.27911	4.6
399.26288	5.8
470.29895	9.8
479.26056	5.0
496.27826	100.0
497.28046	10.1
514.28839	36.3
515.29028	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	514.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86223	0.3
55.38898	0.3
57.03543	1.7
57.16826	0.5
57.19314	0.4
58.02757	0.6
58.03071	4.0
59.01188	0.6
59.01474	1.2
61.98582	0.7
61.98930	4.2
69.30540	1.1
69.30961	1.9
73.03747	0.8
73.04193	2.6
74.02120	2.3
74.02589	17.4
82.06742	0.7
87.01003	0.5
87.05768	4.1
88.04175	1.2
95.02653	0.4
97.04219	1.1
98.02637	2.0
99.04660	1.1
101.02571	0.5
101.07340	1.1
111.04507	0.5
111.05779	0.6
112.02950	1.3
115.05300	3.6
116.03644	0.8
122.53136	0.3
125.02579	0.9
126.09276	2.1
129.10350	12.1
130.08745	2.8
134.22569	0.3
139.08875	0.8
139.12534	0.4
140.06419	0.5
140.07373	1.6
140.10944	0.5
141.10466	1.0
143.10878	0.7
143.11903	12.8
151.08804	2.2
152.07327	1.0
153.05473	2.2
153.10336	4.6
155.08426	0.5
155.11876	1.9
166.08893	1.2
167.12050	0.8
168.11446	11.1
169.09807	3.1
171.14972	0.4
176.67029	0.4
179.11938	1.9
182.13141	0.7
183.11420	4.6
186.12486	8.1
187.10901	4.1
197.13049	0.6
200.14226	1.7
201.12494	0.5
210.12488	27.3
211.11049	0.4
211.12889	1.0
214.15628	16.9
215.15965	0.8
223.11061	0.5
228.13548	14.0
239.15498	0.6
257.16275	0.5
258.12265	0.5
258.14578	2.1
271.17795	0.4
299.17426	1.3
327.24030	7.3
328.24414	0.6
371.23120	1.2
375.38770	0.4
384.26291	1.7
384.71201	0.4
426.27164	1.3
470.26205	100.0
471.26489	10.4
496.27582	0.8
514.28778	13.7
515.28973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98833	100.0
62.98529	0.2
65.36946	0.1
69.12442	0.8
188.03026	0.1
454.34290	0.1
514.31915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
63.84942	1.1
71.01397	4.5
71.30750	2.4
73.55113	1.3
75.48141	1.1
78.95914	4.6
85.19511	1.2
87.00881	2.2
89.02461	3.7
96.96979	1.7
101.02478	2.0
103.92019	2.9
111.00813	1.4
113.02498	2.9
114.05669	1.5
126.98888	2.3
129.05605	1.6
131.08279	100.0
132.08618	2.6
156.07808	4.5
161.04608	2.0
173.04596	3.2
173.10451	79.6
179.05574	1.8
191.01927	1.7
208.56294	1.2
224.96588	2.0
328.04456	2.6
341.10901	8.3
409.54028	1.3
444.91913	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	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	83.9
58.03816	2.8
59.01093	5.7
59.01381	100.0
61.98563	3.5
61.98835	43.8
66.64732	3.3
69.04172	30.8
70.76591	3.0
71.01392	28.8
72.99297	3.6
73.02947	13.8
81.03475	5.1
82.75440	2.9
83.01379	6.0
85.02943	7.8
89.02439	12.2
91.49569	2.8
92.97496	5.0
99.00900	4.3
99.04521	92.1
101.02454	38.5
113.02466	14.7
117.03455	3.1
121.02966	14.4
123.04494	3.8
125.02457	30.5
143.03564	3.1
148.04034	23.3
149.04657	2.8
161.04541	10.1
186.55566	3.5
190.02759	4.8
198.29398	3.7
205.04996	7.3
209.11925	14.1
346.93198	3.0
367.10330	10.5
371.20801	7.2
515.28223	14.4
516.28552	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	515.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88021	1.4
56.31321	1.6
57.03452	96.1
59.01382	100.0
69.18314	14.7
71.01388	33.5
73.02949	17.8
75.00855	1.4
79.63663	1.4
83.01395	5.2
85.02956	16.1
87.00915	2.0
89.02477	2.8
90.93890	1.7
95.01387	2.4
95.02523	1.5
99.00904	5.3
99.04527	98.0
101.02451	32.1
113.02466	10.8
125.02460	42.6
125.75771	1.4
134.61172	1.5
142.88837	1.6
143.03503	2.6
159.03004	3.3
161.04573	25.1
191.14392	7.4
203.05591	6.0
205.03560	1.7
209.15567	12.2
215.14516	1.7
371.20709	13.7
413.21939	5.3
484.49915	1.7
515.25079	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	515.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17960	1.0
57.03455	95.8
58.00592	2.0
58.03789	2.2
59.01386	100.0
63.47896	1.1
69.02678	6.8
69.03098	4.6
71.01392	33.3
72.99290	1.9
73.02954	16.6
81.03482	2.5
83.01379	5.4
84.02193	1.1
85.02962	5.6
87.00883	3.2
89.02462	25.9
95.01398	2.9
99.04533	90.4
100.04861	2.7
101.02458	43.1
113.02465	11.6
119.03510	11.9
123.04543	5.4
125.02467	37.5
125.03172	1.0
126.02809	1.4
131.03502	1.1
131.46165	1.1
138.75131	1.1
141.05640	1.5
143.03513	4.6
149.04666	2.4
161.04608	6.9
179.05630	5.2
191.14337	1.4
207.13885	1.6
209.14526	1.8
219.76900	1.0
226.31937	1.0
371.20645	15.7
384.40256	1.1
413.21634	3.6
468.38922	1.1
515.24817	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	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12197	1.0
57.03451	100.0
58.03777	1.1
59.01383	68.0
69.29845	7.7
71.01383	25.7
72.99297	1.8
73.02954	23.3
79.05546	1.8
81.03470	4.1
83.01388	8.1
85.02960	6.2
89.02446	11.2
95.01414	1.4
97.06596	2.5
98.22604	1.1
99.04524	85.0
100.04842	1.3
101.02448	45.2
102.02786	1.3
109.06687	1.3
113.02440	14.3
113.06082	3.4
119.03525	4.6
123.04530	17.4
125.02447	27.5
131.03633	1.2
141.05602	3.1
143.03523	5.3
149.04593	3.5
153.05580	3.4
161.04578	10.4
177.01918	6.2
179.05692	2.7
201.22144	1.0
203.05623	1.6
221.06729	1.3
224.11536	1.0
288.84998	1.0
497.21402	1.2
515.25366	3.4
519.15833	1.1
519.50848	1.2
543.18500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56390	1.1
55.01867	1.2
57.03448	100.0
59.01380	89.7
59.01821	1.9
61.98827	5.0
69.66428	7.9
71.01386	28.0
73.02963	6.9
81.03441	1.6
83.01373	4.5
84.87114	1.3
85.02950	8.7
87.16991	1.2
89.02445	9.6
95.01415	2.2
97.64556	1.3
99.00891	2.4
99.04523	92.4
100.04877	1.5
101.02442	33.2
113.02459	12.4
119.03510	4.4
123.04517	2.5
125.02451	32.1
127.05170	5.4
128.03551	4.7
140.07179	2.3
143.03477	3.7
145.06172	1.4
159.03032	2.0
161.02457	1.4
161.04530	9.2
163.94283	1.2
179.05672	4.2
184.55644	1.5
209.08014	1.7
368.22049	7.9
371.20996	6.3
413.22009	1.4
515.26788	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	515.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.8
59.01382	8.4
61.98836	78.7
71.01392	7.4
71.33080	2.1
73.02950	2.1
73.04104	1.5
74.02472	2.5
81.36306	1.2
82.02985	5.0
82.06643	1.5
84.04556	2.0
85.02951	1.9
89.02428	3.7
96.00932	2.2
98.02465	1.4
99.04530	5.0
99.40848	1.3
101.02459	5.0
101.07199	9.3
105.93615	1.1
109.04094	4.7
110.02433	1.5
113.02494	1.6
125.02457	4.9
125.03444	2.0
127.05155	25.4
128.03555	100.0
129.03854	1.4
129.10362	3.6
130.08722	6.0
135.04536	4.7
136.11346	1.8
139.08791	3.6
140.07188	2.6
145.06200	26.2
161.02505	2.4
169.09860	3.4
169.13484	1.4
179.03488	2.6
179.11993	3.1
180.10342	5.2
195.07805	1.2
197.12990	2.5
197.16660	1.5
209.11806	2.0
222.12448	8.9
223.10945	3.6
225.16054	1.7
240.13513	3.0
241.11969	4.8
274.09174	1.3
287.17383	1.4
290.56665	1.3
292.20456	2.7
322.05945	1.4
331.93259	1.3
354.20374	5.2
378.25674	1.2
386.23071	3.6
435.12418	1.6
497.26215	29.7
498.26505	3.6
515.27277	92.4
516.27563	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	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91756	0.8
69.09884	3.4
69.10302	4.7
70.26994	0.8
72.99300	1.5
75.00876	100.0
76.98360	0.8
78.95908	1.3
88.57819	0.7
98.68106	0.8
113.92242	0.8
125.93317	0.8
152.99596	3.1
163.06256	0.7
274.03781	1.0
277.21811	1.0
339.98898	0.9
346.77484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.288
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
57.03458	7.1
58.02993	9.1
59.01390	8.6
61.98837	3.5
66.03474	1.2
68.58000	1.2
70.62172	2.2
71.01374	3.9
73.02956	7.0
74.18800	1.0
80.05039	1.6
80.63451	1.0
86.03812	1.1
89.02438	2.0
91.05532	3.6
93.20341	1.0
98.06142	2.7
99.04526	7.4
101.02451	3.0
104.05309	1.3
113.02490	2.0
113.07229	27.4
114.05615	2.8
115.08771	3.1
118.06637	1.8
118.96468	1.2
125.02491	3.5
125.07247	1.4
131.64899	1.1
140.07153	2.8
147.04530	9.8
150.12923	1.6
157.09813	2.8
164.07257	6.1
165.12733	1.1
183.14964	1.3
194.11865	3.1
209.13091	2.1
209.16705	1.8
211.14497	2.2
214.42569	1.4
217.13503	15.0
226.15756	1.1
252.17070	1.3
252.20483	1.3
253.15663	1.6
256.87735	1.4
257.30887	1.2
261.09692	2.1
261.12479	40.4
262.12961	1.7
343.41190	1.1
444.18619	1.2
515.28778	100.0
516.29272	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	515.3016
Annotation	Probucol
Peak:m/z	Relative Intensity
51.25727	1.1
51.69291	1.0
61.98835	2.1
67.45602	1.3
69.03448	2.1
70.55116	1.3
70.55437	3.1
87.57158	1.1
102.20853	1.1
119.09891	1.2
128.87910	1.9
133.02953	3.5
135.04543	5.6
137.02461	2.4
139.01355	1.1
149.78473	1.2
155.08151	1.2
161.02435	7.8
161.06096	5.9
178.52834	1.1
179.03523	3.8
235.06129	29.1
279.23315	100.0
280.23563	6.9
341.77670	1.3
405.10788	2.1
406.10843	1.4
407.10178	2.7
515.30200	41.3
516.30414	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	515.302
Annotation	Probucol
Peak:m/z	Relative Intensity
50.38198	2.1
51.87384	1.9
63.84636	1.9
69.03445	2.9
70.38483	3.7
70.38847	3.8
103.49166	1.7
105.03458	3.3
111.95567	2.2
121.02967	3.2
133.02969	30.3
134.03745	3.8
135.04538	36.7
137.02432	4.3
161.02467	44.8
161.06081	8.5
179.03468	4.2
235.06020	10.9
253.07210	3.9
275.02826	1.9
279.23254	32.0
376.91553	2.0
515.30164	100.0
516.30200	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	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83941	0.3
55.01882	0.3
56.46684	0.3
59.01088	0.3
59.01382	6.0
66.22118	0.2
69.77924	0.7
69.78336	1.1
71.01389	5.3
72.99325	0.3
73.02935	1.2
78.95923	1.8
82.09332	0.3
83.01358	0.7
83.71952	0.3
85.02956	1.2
87.00870	0.9
89.02450	3.6
95.01400	0.5
99.00883	0.5
101.02446	4.7
113.02465	1.6
119.03503	1.0
143.03453	0.6
152.99615	2.8
161.04555	1.2
179.05632	0.5
235.08183	0.6
253.09314	13.4
254.09618	0.4
268.14093	0.3
270.92807	0.3
279.23312	100.0
280.20615	0.3
280.23669	6.7
320.85898	0.3
365.76099	0.3
433.23788	0.6
457.60727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73680	0.1
53.89536	0.1
55.01864	0.3
55.77256	0.1
57.03441	0.2
58.00579	0.1
59.01089	0.3
59.01384	5.3
69.04662	0.9
69.05079	0.5
71.01391	4.9
72.99300	0.4
73.02953	0.9
75.00869	0.4
78.95916	0.3
81.03499	0.2
83.01389	0.5
85.02955	1.1
87.00888	0.6
89.02448	3.0
91.04016	0.2
95.01382	0.5
97.02956	0.1
99.00869	0.3
101.02449	4.2
104.57648	0.1
105.41486	0.1
113.02454	2.1
119.03510	1.4
125.02458	0.1
133.05103	0.2
143.03505	0.3
152.99632	0.6
157.05072	0.2
161.04585	1.6
179.05606	0.6
202.79765	0.2
227.23195	0.1
235.08289	0.8
253.09296	14.4
254.09583	0.4
261.22253	0.4
263.10016	0.1
279.23300	100.0
280.23648	6.9
304.37415	0.1
412.23462	0.1
449.07419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45214	1.4
60.66935	1.4
61.03546	1.6
68.11281	1.8
70.29839	5.2
70.30197	1.8
72.00916	19.5
114.38378	1.5
114.56160	1.9
129.99954	3.2
138.99988	4.6
147.04538	50.6
148.04819	1.6
164.07188	65.1
165.07524	1.5
185.00539	31.6
277.06720	3.8
443.77832	2.1
516.19946	100.0
517.20087	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	516.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
60.78649	0.4
61.98837	100.0
69.14603	4.5
82.92201	0.5
96.05737	0.4
449.77237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.0
64.53255	1.4
69.11885	7.6
69.12302	4.5
71.01392	18.6
72.66843	1.2
73.04060	1.5
74.02454	4.7
82.02970	2.4
84.04524	1.4
87.05615	1.6
88.04047	21.4
89.02448	4.0
91.93063	1.3
96.00941	2.7
96.95992	2.2
98.02464	1.3
99.00834	1.7
101.02481	3.6
102.05655	2.1
103.37494	1.3
104.03539	2.1
105.03448	1.4
108.38367	1.3
110.03620	3.1
113.02450	3.4
113.03557	2.0
115.00378	24.1
115.08784	21.1
116.07200	9.0
119.03503	2.0
120.71792	1.3
125.02393	2.5
125.07221	2.7
126.05604	2.6
127.05140	2.9
128.03548	14.3
129.10335	2.8
130.08725	2.9
132.02205	2.3
132.03029	13.9
133.02977	7.7
134.03740	10.7
135.04526	1.7
139.08766	3.0
141.06712	2.1
143.11893	3.5
146.04614	2.4
149.06046	1.8
154.09839	3.0
155.08234	7.0
160.01671	11.8
161.02486	1.4
169.09840	1.6
171.15024	2.1
172.10941	20.6
175.03993	13.6
177.02002	1.6
178.02664	1.7
179.11902	15.1
185.05754	1.8
186.12495	5.4
187.10892	2.5
193.05060	22.3
196.14560	17.7
197.12999	2.7
202.02666	3.3
202.22963	1.4
205.09888	1.6
210.16132	5.1
214.15613	16.1
217.05098	5.8
223.10945	1.7
226.15646	1.8
228.17091	1.6
235.06108	1.7
240.13550	2.3
242.18785	3.2
244.12825	1.4
253.16673	4.5
267.06833	2.3
267.09741	3.0
271.17822	2.0
286.17740	1.5
311.05719	1.5
321.23141	2.2
337.03510	2.3
339.23834	1.8
343.19827	1.7
352.23605	12.9
355.04602	3.7
370.24612	33.1
371.23093	4.9
387.22433	2.3
400.25784	9.9
401.24039	17.8
442.26611	6.4
454.22760	1.6
472.24490	4.5
486.25818	5.0
498.25949	9.1
516.26776	100.0
517.10211	1.9
517.26929	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	516.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20133	1.2
57.03449	3.7
59.01387	7.3
61.98833	8.9
69.10363	9.1
69.10786	5.6
70.02991	1.7
71.01392	9.9
73.02947	1.6
73.04078	9.1
82.03009	2.4
82.06641	1.8
85.02972	2.4
87.05640	17.1
89.02470	4.3
95.01375	1.7
96.00922	13.9
97.04089	4.7
99.00877	4.0
99.04531	2.9
101.02445	4.7
109.01702	100.0
113.02428	4.3
113.03567	3.5
122.04858	1.6
125.02454	2.9
128.03566	3.5
129.10362	2.7
130.08740	8.4
130.09572	1.4
134.03748	1.7
135.04546	13.9
138.09233	4.6
139.08740	1.7
140.07343	1.5
140.10814	8.5
141.10402	2.3
161.02396	2.6
161.04553	2.8
165.10330	13.5
166.08725	16.9
166.09952	2.3
168.11479	2.1
169.09821	10.6
179.03482	10.2
182.12985	41.1
183.11446	2.4
185.05695	4.5
186.12509	3.3
193.05093	6.5
200.14072	23.9
205.05173	1.5
210.07718	70.5
211.08124	1.9
228.08801	3.7
236.22144	1.7
239.15132	84.4
240.15378	3.8
251.15221	1.5
257.16202	67.8
258.16507	3.1
269.16092	5.6
287.17255	77.6
288.17627	4.6
296.13998	1.5
356.22906	1.6
385.17273	12.3
468.24362	2.0
498.25705	66.8
499.25745	7.1
516.26801	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	517.1361
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
56.25953	0.4
57.03444	0.9
59.01390	2.2
61.98843	0.9
65.84626	0.4
67.17201	0.4
68.78018	0.4
70.66069	0.8
70.66482	1.0
71.01378	1.5
82.22793	0.4
89.02461	0.8
101.02475	0.5
105.03463	0.7
112.73850	0.5
117.03494	0.8
130.08759	0.8
132.02193	2.9
133.02977	33.3
134.03825	3.7
135.04549	11.3
136.04883	0.7
137.02515	0.9
147.04482	0.6
149.06090	1.5
150.69305	0.4
160.01672	2.6
161.02464	100.0
162.02823	3.2
175.04008	3.4
176.04808	1.6
177.05554	1.1
178.02789	0.6
179.03529	14.9
179.05136	0.9
191.07162	1.4
193.05057	7.2
203.03542	2.0
207.06638	0.4
221.04585	2.3
235.06212	2.5
251.05717	1.7
265.07208	1.1
281.06747	2.0
295.08295	1.2
308.79474	0.5
309.14648	0.9
323.07745	4.2
337.09341	1.1
341.08670	2.3
355.10242	1.2
431.25317	0.5
457.11829	0.7
499.22803	0.6
508.34525	0.5
517.13446	7.7
517.30292	0.5
518.13953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01381	4.9
59.09262	0.5
61.98832	1.0
64.79107	0.4
69.05959	5.2
71.01379	4.7
72.92756	0.4
72.99315	0.5
73.02944	0.6
74.02477	0.5
74.42599	0.4
74.94882	0.4
85.02979	1.2
88.98817	1.0
89.02452	3.1
92.77840	0.5
97.02932	0.5
99.04540	1.6
101.02431	2.3
107.05013	1.1
108.02204	0.5
113.02448	1.6
114.05670	0.5
119.03484	0.9
121.99680	0.5
125.02413	1.2
128.03543	1.4
132.02156	0.9
133.02979	5.2
134.03760	7.2
135.04533	100.0
136.04890	2.4
137.02385	0.6
148.05312	0.5
149.06110	0.6
160.01643	3.8
161.02448	15.8
161.04512	0.9
162.02762	0.5
175.03984	3.9
178.02736	0.7
179.03505	94.6
180.03821	3.2
193.05087	4.9
195.00328	0.5
203.08282	0.5
217.05098	0.5
293.08755	1.2
306.07599	0.6
323.07590	2.2
337.09286	5.0
341.08691	1.1
469.69803	0.5
473.13971	0.5
517.13452	1.7
517.29901	1.2
518.30255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1568
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.53389	0.8
55.33190	0.9
56.57652	0.9
56.63276	0.9
56.65100	0.8
57.03447	2.5
59.01384	13.2
71.01386	17.0
73.02944	3.3
81.03489	1.1
83.01402	1.0
85.02953	10.9
87.00890	1.9
89.02460	10.5
95.01385	3.4
96.00933	1.1
98.22477	1.7
99.00861	1.9
99.04518	2.4
101.02444	9.8
104.02728	1.2
109.81583	0.9
113.02460	21.0
113.03622	1.3
115.08729	1.6
117.03464	2.1
119.03516	4.0
123.04524	2.7
125.02454	1.9
129.10364	1.4
131.03555	1.1
131.07114	1.0
132.02191	23.7
132.03175	1.2
134.03752	54.2
135.63919	1.0
137.02452	2.2
143.03531	3.5
143.12004	1.4
147.04491	1.0
149.06107	8.7
160.01677	96.8
161.02066	3.4
161.04524	6.9
175.04018	100.0
176.04436	4.7
178.02742	9.6
179.03296	1.0
179.05634	2.3
191.07150	2.4
193.05078	95.7
194.05359	4.5
202.02698	1.7
205.05107	1.2
214.15569	1.7
217.05011	5.1
221.06622	2.9
223.06042	1.0
231.06490	1.5
235.06143	5.6
244.03763	1.3
245.06267	0.9
247.06195	2.4
251.09465	1.1
259.06088	11.2
263.07678	1.5
265.07193	1.5
323.09790	2.4
337.09274	4.0
355.10638	1.2
473.28369	2.1
517.27435	2.8
518.27466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1567
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01382	11.9
71.01386	13.2
73.02941	5.0
76.21947	1.3
83.01379	3.2
85.02952	5.0
85.31459	1.4
89.02443	10.7
89.03972	1.6
95.01400	2.1
97.02943	3.6
99.00873	3.1
99.04520	1.5
101.02452	11.3
107.71599	1.6
110.36698	1.3
113.02456	6.5
117.03465	2.4
119.03495	4.1
125.02485	1.8
132.02182	23.8
134.03754	52.2
135.04010	1.4
137.02524	1.7
143.03525	2.4
147.04564	1.9
149.06061	5.9
160.01672	90.6
161.02095	3.0
161.04544	7.9
175.04015	92.0
176.04579	5.6
178.02708	8.2
179.05609	2.1
191.07140	7.0
193.05070	100.0
194.05415	3.3
202.02753	2.3
217.05101	8.8
221.06660	3.9
235.06079	11.2
245.06633	2.8
263.07693	2.3
301.59833	1.3
330.18445	1.5
355.04526	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	518.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08112	0.5
57.03440	1.0
59.01384	4.3
61.98812	1.0
71.01377	2.6
71.32968	0.7
78.44110	0.4
81.80617	0.4
85.02950	1.6
88.02757	0.5
99.04542	1.2
101.02470	1.4
104.05090	1.0
106.06633	100.0
107.06946	2.4
108.08197	3.7
113.02464	2.1
118.06676	2.5
120.08171	1.2
125.02403	0.7
128.03566	0.9
130.06645	2.2
131.03767	1.5
132.04512	0.6
134.06206	0.5
146.06146	1.7
150.05614	77.3
151.05975	2.5
161.02498	0.8
162.05540	0.9
164.07169	21.5
165.07454	0.6
174.05640	1.4
192.06671	13.2
194.04585	27.3
195.04901	0.8
209.66083	0.5
218.78592	0.5
222.07610	0.8
227.07129	1.7
236.05643	8.1
250.07205	0.7
278.06723	1.4
296.07761	7.8
307.01501	0.6
338.08954	0.7
356.09888	66.0
357.10120	4.0
398.11047	1.3
518.25879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78320	2.1
61.98829	4.4
65.81322	2.0
71.30959	2.3
78.95914	45.7
84.27515	1.9
96.96968	7.0
145.80528	2.1
152.99611	100.0
156.15016	1.9
171.00688	4.2
175.86055	2.1
207.71109	2.0
244.41992	2.0
431.22247	17.6
468.25983	2.2
522.61938	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	518.253
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05347	3.2
74.30634	0.3
78.95912	46.5
96.96977	5.8
102.16254	0.3
121.23652	0.3
150.98007	1.4
152.99605	100.0
153.99934	1.1
171.00682	4.2
171.23994	0.3
196.89818	0.3
223.06503	0.3
253.21768	0.9
277.21777	0.6
431.22092	17.9
432.17078	0.3
432.22089	1.7
502.59402	0.3
518.25409	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	518.261
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92924	0.7
61.98839	100.0
68.61698	0.7
69.49759	1.6
69.50155	5.1
146.18192	0.7
146.38875	0.8
184.57184	0.9
334.07550	0.9
399.32480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.84994	0.4
55.45831	0.4
59.01378	0.7
70.63525	0.7
70.63900	0.8
71.01392	3.0
73.02944	0.7
76.20044	0.3
77.88400	0.4
83.01383	0.5
84.02195	0.5
85.02956	1.2
93.03494	0.8
95.01419	0.5
101.02464	1.4
108.01566	0.3
108.02206	1.6
109.02938	0.8
113.02434	1.2
121.02961	5.4
122.03741	3.0
123.00820	0.5
124.01655	0.5
134.03758	1.0
135.04524	0.8
136.01672	74.3
137.02350	2.1
145.06586	0.4
149.06032	0.4
151.04018	100.0
152.04358	3.0
154.02782	0.8
159.02975	0.5
159.04431	0.7
160.05276	1.4
161.02444	0.6
161.04590	1.5
161.05959	0.5
162.03224	1.4
163.04036	1.4
175.03957	0.6
175.07626	0.9
177.05571	1.1
179.03464	0.7
187.04129	0.4
216.55441	0.5
224.08318	0.6
235.07712	0.5
241.05031	0.4
251.07013	1.2
263.07162	1.1
264.07874	1.1
265.08774	0.8
267.06625	0.9
268.07312	2.0
279.06488	0.8
280.07428	1.8
283.09760	2.7
296.06992	0.9
296.10248	0.5
307.06122	0.7
308.06891	2.2
309.07526	1.2
311.12912	0.7
323.05597	0.7
324.06494	2.1
327.08765	3.1
339.08710	8.6
340.09085	0.8
342.11093	5.2
350.88058	0.3
357.13467	86.4
358.09753	0.6
358.13809	6.9
369.61285	0.4
471.90607	0.3
489.14066	1.0
501.13849	2.8
519.15149	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	519.1874
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.93483	0.7
64.52792	0.7
65.22901	0.6
69.04909	1.3
69.05311	6.0
71.01376	2.8
73.02944	0.8
73.68043	0.6
85.02970	1.6
93.03461	0.8
101.02477	1.4
101.61072	0.6
108.02206	0.8
109.02986	0.6
113.02457	1.6
121.02956	7.2
122.03768	2.9
124.01699	0.8
134.03815	0.9
136.01671	82.0
137.02368	2.2
138.98665	0.7
151.04016	100.0
152.04378	2.9
154.02637	1.0
160.05292	1.3
161.04585	2.0
162.03206	1.9
163.03986	1.5
168.97919	0.7
175.03989	0.7
175.07689	1.4
176.04791	0.8
177.05511	0.9
216.34760	0.8
234.60490	0.7
249.25095	0.7
311.12900	1.3
342.11072	5.2
357.13449	87.8
358.13821	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	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56222	1.3
57.03452	91.5
58.03804	1.5
59.01383	100.0
59.12057	1.2
60.01730	1.4
61.98836	6.2
69.18029	10.2
69.18439	3.2
71.01385	14.5
73.02941	6.6
81.03416	2.2
83.01393	5.0
85.02949	6.8
89.02457	3.0
94.98087	1.4
95.60320	1.6
95.89687	1.6
96.96072	1.6
99.04525	95.2
101.02450	26.1
113.02440	6.0
119.03511	1.8
125.02452	37.9
126.02804	1.6
143.03442	2.4
150.50168	1.7
161.04517	4.4
164.07227	1.7
213.14993	4.4
222.12439	1.8
357.18942	2.3
375.20187	21.6
376.20639	2.0
399.33496	1.9
417.21112	3.1
518.77179	1.8
519.31335	3.0
520.21588	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	520.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69109	1.2
57.03450	2.2
59.01385	8.2
69.16652	10.7
69.17059	2.9
71.01379	7.5
72.03094	1.4
73.02945	1.9
82.02954	1.4
82.06623	1.3
85.02939	2.7
88.04038	1.5
89.02450	3.6
96.00921	2.0
98.02505	2.6
99.04530	2.9
101.02451	4.8
108.08206	100.0
109.02963	5.3
113.02453	2.7
113.03579	1.6
120.08199	3.2
125.02441	7.4
128.03572	2.7
130.08742	7.0
131.09082	1.6
132.08188	4.7
133.02902	2.0
134.06076	1.3
135.04541	4.1
147.04468	1.4
148.07661	3.9
152.07188	86.2
153.07567	2.6
155.08313	1.5
161.02460	4.9
164.07185	2.6
165.10309	1.4
166.08733	29.9
176.07149	3.0
179.03522	4.2
194.08286	9.8
196.06168	69.0
197.06444	3.1
224.09315	2.7
225.03825	2.7
227.06999	2.1
228.07451	2.0
238.07243	13.3
239.07387	1.4
263.12802	1.3
268.86658	1.5
282.08780	1.9
298.09299	12.4
306.03378	1.3
314.11230	2.4
323.16275	1.5
327.89487	1.4
342.23804	1.4
358.11447	70.8
358.25821	2.1
359.11661	4.8
399.22601	2.1
400.22858	3.6
506.03000	1.4
520.25885	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	520.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85759	10.8
54.53892	10.7
57.03445	35.8
59.01389	79.9
59.32749	12.9
61.98846	70.4
65.01875	12.6
68.99573	14.8
69.07645	27.2
69.08051	100.0
71.01379	66.8
73.02972	15.2
85.02960	23.5
87.00870	11.5
89.02468	32.0
98.22600	21.5
101.02448	78.4
113.02476	32.5
125.02498	26.4
125.65930	11.4
151.33907	11.8
161.04578	35.8
165.62518	12.7
167.51569	12.3
176.72493	15.2
192.33527	11.5
261.91043	12.0
315.18182	27.5
315.21683	13.5
408.75320	14.0
477.23511	95.8
520.31836	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67818	3.4
53.11673	3.5
55.01876	5.5
57.03450	5.8
59.01377	46.4
61.98825	8.3
62.42704	3.2
63.05335	3.5
69.08130	7.7
69.08530	27.6
71.01385	85.9
73.02946	21.3
75.00946	3.7
83.01376	12.2
85.02958	35.2
89.02440	21.5
95.01385	6.4
98.21789	5.6
99.00896	11.1
101.02444	73.3
113.02457	35.6
119.03526	10.2
125.02448	4.0
159.02957	3.8
161.04567	32.8
179.05588	8.8
236.14261	3.8
270.13889	3.4
315.18216	31.4
325.75250	3.5
461.91898	3.8
477.23404	100.0
478.23483	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
62.13958	0.4
62.96420	0.5
65.92393	0.3
69.28478	0.5
69.28874	2.2
75.95374	0.3
78.95909	48.0
94.33541	0.3
96.96975	6.3
96.97549	0.2
119.84335	0.3
129.09953	0.3
150.98030	1.5
152.99599	100.0
153.99919	0.8
160.05219	0.3
171.00655	4.6
279.23392	0.9
330.76511	0.4
399.69458	0.3
433.23599	21.4
434.24066	2.1
520.26868	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	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77194	0.2
65.42506	0.3
69.78873	1.2
78.95909	70.1
84.30888	0.3
96.96964	5.3
127.15884	0.2
150.98029	2.3
152.99597	100.0
153.99919	0.7
171.00635	2.5
190.19389	0.3
279.23218	2.0
292.75845	0.3
295.35950	0.3
308.35251	0.3
433.23599	37.6
434.23969	2.6
516.00214	0.3
520.26758	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	521.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
65.21349	1.0
70.38308	1.0
70.67382	2.8
70.67716	1.1
71.01386	4.7
93.03489	1.2
108.02176	11.4
109.02966	34.0
113.02451	1.5
115.00384	12.0
116.77026	1.1
117.71699	1.1
121.02939	7.7
123.04547	3.4
125.02477	3.9
131.05072	1.5
133.02971	5.6
134.03700	1.4
135.04535	34.7
145.03072	1.5
147.04544	3.9
148.05368	2.3
149.06097	17.3
159.04538	1.8
161.02454	14.7
161.06097	14.3
162.06700	1.6
163.07664	2.3
174.03299	1.3
175.04063	11.1
177.05644	2.2
179.03499	23.3
187.04010	11.9
188.04839	1.2
188.17334	1.3
198.11488	1.2
205.05103	1.5
213.05617	1.9
219.03513	0.9
221.04596	1.2
225.05650	1.5
226.06345	1.8
231.02953	2.3
240.04227	1.2
241.05122	3.9
242.05865	42.8
243.06590	24.4
253.08713	1.2
255.06592	5.2
269.08179	9.6
271.09775	100.0
272.10080	5.4
290.01245	1.1
297.07678	9.8
315.08728	14.3
334.72699	1.1
341.09305	6.1
359.07794	17.6
360.08478	1.5
367.10364	4.0
405.11960	2.6
418.78082	1.1
432.35056	1.0
521.13055	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40429	0.6
64.17918	0.6
69.12644	3.1
69.13065	3.1
71.01379	3.2
104.96565	0.6
108.02190	12.4
109.02966	27.6
115.00372	5.5
120.38773	0.6
121.02961	4.1
123.04517	2.8
133.03000	2.5
134.03777	0.7
135.04529	8.1
146.03749	0.8
147.04561	2.4
148.05278	2.1
149.06093	8.3
158.79594	0.6
161.02480	3.5
161.06110	12.3
161.97681	0.8
162.06836	1.8
163.07657	2.5
175.04005	2.9
176.04774	0.6
177.05557	1.2
179.03488	3.9
187.03986	1.2
188.05006	0.6
213.05579	1.8
215.07237	0.8
226.06335	1.9
241.05064	3.3
242.05865	42.0
243.06593	17.6
244.06873	1.3
253.08757	1.3
255.06641	0.9
269.08197	9.2
271.09778	100.0
272.10071	6.7
272.68198	0.7
277.22626	0.7
297.07797	3.8
315.08759	10.0
316.09113	1.2
341.06427	0.8
359.07745	15.0
360.08011	1.2
405.11987	2.3
521.13141	17.1
522.13269	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	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02542	0.5
59.01389	3.9
69.07832	4.5
71.01387	1.8
73.13766	0.5
80.59050	0.4
89.02440	1.1
92.78299	0.5
93.03481	0.9
95.05054	0.5
98.21744	0.6
101.02436	0.8
101.93285	0.5
109.02959	4.7
110.94637	0.4
113.02467	0.9
119.05052	2.1
121.02983	5.5
123.04562	8.1
128.03552	1.5
131.05045	0.7
133.02928	1.4
134.03786	0.7
135.04549	3.3
145.02954	0.9
146.03754	1.5
147.04546	8.7
148.05353	3.9
149.06116	7.9
159.04556	0.7
160.01704	1.7
161.02441	4.0
162.03343	0.5
173.02466	1.2
174.03238	4.7
175.04027	100.0
176.04408	2.9
179.03505	1.6
187.04021	1.9
189.05638	0.7
193.05003	0.8
205.01537	0.5
217.05132	0.6
219.03084	0.6
251.07169	0.6
253.08759	1.3
271.09790	9.9
272.10147	0.7
279.06625	1.1
297.07715	50.1
298.08035	3.1
305.74927	0.4
315.08768	2.0
315.12054	0.6
339.08789	4.1
341.06528	6.9
359.07828	1.9
369.09845	0.7
381.09790	1.0
399.09366	5.4
521.13104	19.4
522.13562	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	521.1302
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
59.01374	3.3
59.49826	0.5
66.55767	0.4
70.48341	1.2
70.48680	0.8
71.01383	2.0
89.02463	1.4
101.02451	0.8
109.02968	1.2
115.00429	0.6
117.03461	2.0
121.02925	0.6
121.86644	0.5
127.57885	0.5
128.03558	0.7
132.02145	1.0
133.02966	21.0
134.03693	0.8
135.04538	28.3
147.04501	1.0
149.06104	1.6
160.01675	0.9
161.02454	100.0
162.02817	3.2
175.04053	4.1
177.05583	1.4
179.03508	26.3
180.03818	0.8
203.03488	3.3
205.01405	3.4
210.79430	0.5
221.04567	1.8
271.09781	1.4
281.06625	0.9
297.07663	1.2
315.08813	1.7
341.08875	40.5
342.09235	3.1
359.07913	1.4
431.14468	0.7
521.13184	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	521.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
59.30511	0.8
64.65466	0.7
69.58363	3.5
71.01395	3.8
84.17883	0.7
85.02979	0.9
89.02452	2.1
89.35781	0.7
98.22467	1.5
101.02439	1.2
107.20988	0.7
108.02174	1.1
109.02964	31.9
112.67455	0.8
113.02457	1.3
115.05582	1.1
117.03503	0.9
119.05016	1.4
121.02979	6.9
123.04530	3.5
131.05016	2.4
133.02945	2.2
135.04549	7.6
145.02902	1.2
147.04512	4.4
149.06090	8.6
158.03709	2.2
159.04541	21.5
160.01700	2.7
160.05286	0.9
161.02463	19.3
161.06096	16.2
163.04021	0.9
167.08217	0.8
173.02420	1.2
174.03244	2.9
175.04021	24.6
176.04413	0.9
179.03542	3.2
187.04034	100.0
188.04472	4.1
189.05492	1.1
203.03503	1.0
203.07292	1.0
205.01353	0.9
205.05081	15.8
206.05515	0.7
229.05078	1.8
231.02995	23.7
232.03369	0.9
242.05807	1.3
243.06670	0.9
247.06261	0.9
249.03943	1.0
250.04558	0.9
255.06902	1.8
269.08215	1.0
271.09814	21.7
272.10205	0.9
279.06650	1.8
281.04718	0.8
297.07715	25.8
298.07895	0.9
315.08862	3.8
316.08868	0.8
316.88712	0.8
323.05893	0.9
339.08813	3.2
341.06430	17.2
342.07068	1.4
359.07788	14.1
360.08112	1.5
367.10349	17.7
368.10632	1.3
383.07428	1.1
411.09442	2.7
504.21158	0.9
521.12994	22.2
522.13397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62159	1.1
59.01385	27.0
65.01669	1.2
69.60915	6.8
71.01386	12.2
72.99301	1.3
73.04077	1.3
85.02963	3.3
89.02441	7.4
93.03462	37.5
95.02527	1.5
97.02957	1.4
101.02465	6.6
108.02187	10.2
109.02961	28.7
109.03703	1.6
113.02459	3.7
113.03615	1.8
115.00365	5.6
119.03510	2.7
119.05028	1.4
121.02960	6.3
122.03745	2.0
123.04529	3.6
125.02453	5.0
130.06236	2.7
133.02989	6.2
135.03505	2.4
135.04538	45.0
136.01674	4.4
137.02455	100.0
138.02805	2.0
139.51955	1.2
141.07806	1.2
144.07843	2.0
147.04555	1.6
148.05280	1.6
149.06079	14.2
151.03937	2.7
153.05534	1.3
159.04559	3.6
161.02487	17.5
161.06093	14.5
163.07695	1.4
166.37177	1.5
169.07494	1.2
171.02823	1.2
175.03999	7.9
177.05568	1.5
179.02084	1.5
179.03497	38.5
187.04013	13.2
199.04172	1.3
201.00536	1.4
201.09981	2.0
203.03516	2.3
205.05063	3.2
209.04478	2.6
210.73373	1.2
213.05576	1.4
220.99608	1.7
231.03017	3.6
239.05643	5.6
241.05092	3.6
242.03333	1.6
242.05858	32.9
243.01511	1.9
243.06602	20.0
244.10599	1.7
255.06610	3.9
269.08176	6.8
271.09772	72.0
272.10028	4.7
279.02274	1.8
297.07486	8.0
299.07748	60.0
300.07947	3.6
300.48956	1.3
305.00009	1.8
315.08838	13.8
316.98450	2.2
325.02069	1.4
341.08682	5.4
350.14752	1.4
358.99622	1.7
359.07663	16.3
367.10181	2.5
378.98618	1.7
423.07724	3.6
435.02664	2.0
461.03238	1.6
521.12958	14.6
522.06134	8.9
522.12817	2.0
522.19501	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	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
69.00950	1.9
70.51424	3.2
71.01370	4.2
73.83304	1.1
85.02914	1.7
96.00846	1.0
98.56955	1.0
101.02466	1.9
106.26662	1.0
113.02407	1.4
121.02936	3.8
132.87766	1.1
147.04492	3.7
149.02451	1.5
150.03261	8.4
151.04027	1.3
158.03735	3.4
159.04532	10.3
160.05301	27.5
161.06117	8.5
163.03998	6.3
164.04788	5.3
164.07155	1.3
171.36801	1.2
173.06070	4.0
175.07649	22.5
176.07996	1.9
177.05598	7.4
178.06398	5.1
193.08646	3.0
193.62537	1.0
329.13953	100.0
330.14273	8.6
359.15067	2.4
388.18747	4.5
522.32874	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01863	2.4
58.40129	2.3
58.62263	2.6
59.01137	2.0
59.01383	29.5
70.88374	3.2
71.01392	25.0
72.99315	2.3
73.02943	2.9
80.58247	2.2
85.02958	9.2
89.02434	13.6
91.48932	2.4
94.81084	2.0
99.00862	3.6
101.02457	15.7
103.03770	2.4
109.02982	5.7
113.02463	5.4
114.08146	2.4
119.03504	7.7
122.30032	2.0
125.07359	2.1
159.04506	6.2
159.21806	2.1
160.05309	7.7
171.77924	2.1
172.05194	3.7
173.06137	6.3
175.07668	6.2
189.05602	3.0
241.05040	5.6
280.24530	2.4
299.09039	3.8
313.10916	8.6
329.10315	5.1
329.13922	29.9
341.14001	3.3
344.12637	21.5
359.15054	69.1
360.15298	6.3
360.50504	2.6
423.94653	2.4
485.78311	2.5
514.69159	2.2
521.20294	100.0
522.20502	6.7
549.97418	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65665	1.8
58.00588	3.9
59.01384	100.0
68.13036	1.4
69.05054	15.5
71.01386	73.7
72.98962	1.4
72.99310	7.9
83.01388	2.2
85.02943	12.1
87.00888	4.6
88.08772	1.5
89.02451	92.6
95.01404	6.5
101.02445	41.7
113.02460	32.7
119.03506	40.5
121.02942	3.3
123.04518	2.7
125.02461	1.5
131.03493	5.8
143.03503	6.5
149.04616	4.6
159.04533	3.4
160.05333	6.4
161.04556	7.3
161.05931	1.8
172.05280	5.4
173.06097	2.7
175.07678	3.3
179.05617	12.7
189.05597	6.8
190.06387	8.1
205.08705	6.0
281.08246	2.4
296.10660	4.1
311.12927	6.5
312.13651	1.9
341.13937	33.5
359.14978	4.4
377.28183	1.5
402.21323	1.8
521.20612	2.4
521.27960	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	521.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
56.30834	0.5
56.99821	0.5
57.03462	2.5
58.00593	3.0
59.01381	62.6
61.98830	1.9
66.47137	0.4
69.03461	4.7
69.06137	3.0
69.06569	2.6
71.01385	92.0
71.05022	1.0
72.01711	1.6
72.99317	3.7
73.02949	44.0
75.00871	0.8
77.29496	0.5
81.03458	3.5
83.01392	16.5
85.02953	18.8
87.00879	10.2
89.02450	55.4
89.55931	0.5
95.01394	7.2
97.02957	28.6
97.06593	9.4
99.00880	4.3
99.04525	2.4
99.08163	2.2
101.02448	97.7
102.02789	1.4
111.00922	0.7
112.28114	0.5
113.02454	33.2
115.04011	7.5
119.03506	25.4
122.03745	2.0
125.02453	7.5
129.01929	0.9
131.03510	7.1
137.09702	1.7
141.01987	0.9
143.03503	22.4
143.04630	1.2
143.42709	0.5
149.04549	2.1
153.12857	81.9
154.13193	2.9
154.50565	0.5
159.02959	2.7
161.04564	82.0
162.04947	1.6
179.05614	43.3
179.10773	27.5
180.11140	1.2
181.12343	0.9
190.81383	0.5
197.11836	100.0
198.12151	4.1
203.05646	1.0
221.06667	16.8
245.06680	5.2
250.93568	0.5
263.07733	18.5
264.08038	0.7
323.09814	5.9
359.17029	1.0
513.98572	0.6
521.22308	2.1
521.33203	2.0
545.00098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03439	2.8
58.00588	1.1
59.01381	65.1
61.98803	1.9
69.14179	6.2
69.14594	2.5
71.01379	10.8
72.99318	0.9
73.02962	5.0
77.50567	0.8
83.01390	2.6
85.02956	7.6
87.00892	1.3
87.94420	0.9
89.02425	1.1
95.01387	1.1
99.00896	2.9
101.02437	10.7
113.02448	5.4
115.69591	0.9
133.94154	1.0
161.04558	2.1
210.31012	0.9
216.72426	0.9
299.25983	2.1
359.27802	1.1
429.88965	1.0
442.59482	1.0
452.29700	0.9
461.30728	4.4
508.50739	1.1
521.33331	100.0
522.33630	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	522.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14878	1.6
57.06519	1.6
59.01388	2.0
61.98822	4.5
63.66825	1.6
70.98141	1.5
71.04177	4.4
78.95904	10.6
85.66143	1.8
90.65689	1.5
95.96925	1.5
96.96020	1.8
121.02911	1.6
122.03723	3.9
125.07977	1.6
140.01166	4.3
150.97578	1.4
161.02461	4.3
162.02759	2.0
167.14424	5.5
168.04218	2.1
193.99529	2.0
207.17523	2.4
214.04851	4.1
216.96640	1.6
227.73390	1.5
242.83005	1.5
249.18613	31.8
250.18951	1.9
275.16541	22.3
276.16727	2.0
281.21310	5.6
293.17606	61.5
294.17792	4.9
307.19009	2.6
325.20200	100.0
326.20648	8.2
522.24902	23.6
522.32922	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	523.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01385	15.4
61.98844	1.9
65.49802	0.9
66.16358	0.9
71.01392	5.2
71.20581	0.8
71.32957	1.8
73.04060	1.0
85.02970	1.0
87.01360	0.9
89.02458	4.5
96.00901	1.0
98.02532	1.0
99.04523	1.6
101.02465	2.6
109.02946	9.6
111.00887	24.7
113.02454	2.3
114.05664	1.7
119.03534	1.5
119.04980	1.4
120.69140	0.9
125.02475	1.9
128.03615	1.0
129.77733	0.9
130.08762	1.0
133.03027	1.0
135.04547	4.1
149.06146	1.3
159.04532	2.6
161.02481	2.3
161.04639	1.1
172.05339	3.6
175.07697	1.2
179.03441	1.7
181.06471	1.1
185.06070	5.9
187.07655	64.6
188.08018	2.1
198.06952	1.3
199.07959	1.0
201.05670	1.9
211.04063	2.2
211.07683	3.0
211.10744	1.1
212.08461	3.0
213.09207	19.2
214.09506	1.2
222.06845	1.2
224.04816	1.6
225.05548	2.8
227.10863	3.9
229.12367	7.8
231.06717	2.0
236.08472	2.1
237.05603	1.6
237.09198	10.7
239.07143	34.2
240.07857	4.4
253.08638	1.4
255.10277	14.4
273.11417	8.9
281.08142	1.6
287.09332	1.0
299.09259	100.0
300.09573	6.6
317.10294	21.0
318.10468	1.9
343.08063	6.3
361.09296	2.7
361.22318	1.4
362.23093	1.1
523.27252	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	523.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36633	0.8
53.15019	0.7
59.01389	11.2
62.30778	0.7
62.63593	0.8
64.01929	2.2
66.03482	1.5
69.27613	1.9
69.28013	5.4
69.87440	0.8
71.01397	8.6
72.00916	6.2
85.02975	1.2
89.02460	12.5
90.03515	2.5
92.26901	0.8
96.96061	1.0
101.02464	6.3
103.47700	0.9
108.04583	1.4
109.02995	1.0
113.02489	4.9
114.02828	0.8
117.78765	0.9
119.03531	6.7
119.05012	1.4
123.04570	1.5
125.02467	55.4
126.02815	1.9
133.03009	1.2
134.02502	100.0
135.02843	2.6
135.04556	5.3
143.03563	2.0
145.03102	0.9
147.04543	19.0
149.06093	0.9
152.03551	11.8
161.02486	1.6
161.04515	1.7
162.51700	0.8
164.07182	36.3
165.07541	1.5
168.57443	0.9
179.03514	3.4
179.05640	2.7
192.64175	0.7
242.14874	0.9
288.87744	0.9
294.02884	0.9
314.08856	16.4
315.09302	1.6
339.78293	0.9
358.07703	1.5
377.77750	0.8
523.13293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14809	5.2
57.03449	10.7
59.01390	42.0
59.94397	5.1
61.02555	4.7
61.98832	27.4
67.03336	4.4
69.39637	9.3
69.40034	23.1
71.01402	17.2
71.84553	4.5
73.02972	5.6
75.84276	4.5
76.73298	5.1
83.05048	7.7
85.02950	7.4
99.04539	5.5
101.02452	10.5
113.02483	11.5
125.02425	6.5
125.30154	5.1
128.03561	9.3
135.04509	7.9
163.11220	6.8
169.98091	4.5
209.07347	6.2
209.11819	62.9
210.12422	5.0
227.12862	29.4
289.18079	5.2
307.19171	55.3
317.21173	11.0
325.20239	100.0
343.18930	5.9
427.64703	4.9
463.23547	17.2
523.22791	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
70.09745	5.3
72.99316	10.7
75.20855	1.7
98.21819	2.0
99.00858	11.1
108.71514	1.7
111.00883	4.6
113.99598	33.0
120.14115	1.9
122.05413	1.8
122.80714	1.8
128.01216	2.1
156.00668	49.2
174.01707	100.0
175.02312	2.1
194.41582	1.8
247.48923	1.8
263.89536	1.9
275.62216	1.7
329.67554	2.0
349.27463	3.3
361.27524	4.0
419.27692	2.4
423.27600	32.3
463.27151	22.9
464.27484	3.0
494.65756	1.9
523.30603	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40081	0.9
69.02296	6.4
69.02719	4.9
71.13660	1.0
72.99308	2.6
78.95869	1.2
98.22562	2.1
99.00888	4.6
106.70335	1.0
111.00910	2.6
113.99600	12.4
117.39698	1.0
127.83191	1.2
152.99625	2.6
155.00006	1.0
156.00652	16.7
169.37253	1.2
174.01704	100.0
175.02127	2.5
175.73584	1.1
231.39740	1.1
274.54587	1.1
315.45950	0.9
330.56616	1.1
349.27499	1.6
363.24762	1.0
363.29074	1.8
405.26566	1.8
407.28369	1.7
419.27798	1.2
423.27512	16.0
449.24026	1.1
463.27036	10.3
464.27203	1.6
474.79880	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	524.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18045	0.2
59.01385	0.4
61.98837	100.0
69.21866	1.9
77.86765	0.2
84.74043	0.3
98.21699	0.4
98.53203	0.2
140.03787	0.3
213.86531	0.2
215.68561	0.3
327.21976	1.3
335.99124	0.3
354.36972	0.3
394.83759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.323
Annotation	5-O-Desosaminylplatenolide I
Peak:m/z	Relative Intensity
53.04120	0.2
55.01888	0.3
59.01383	0.4
61.98823	0.5
65.08652	0.3
68.96648	0.3
71.01384	2.7
71.32110	0.3
73.02941	0.8
74.78314	0.2
85.02943	1.3
85.32735	0.2
93.03472	0.6
99.00887	0.3
101.02460	1.3
101.79459	0.2
108.02180	24.7
109.02531	0.8
113.02445	1.3
121.02962	9.9
122.03782	2.5
126.69095	0.2
130.73279	0.2
135.04536	0.5
135.99803	0.2
155.37257	0.2
161.04584	1.5
275.20212	0.5
276.19855	0.5
344.26044	0.8
360.25418	1.9
361.26236	13.1
362.27002	100.0
363.27338	8.5
376.28430	0.3
405.99634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28945	0.7
51.79395	0.7
57.03448	16.8
59.01113	1.1
59.01376	8.3
59.99891	0.6
61.98833	13.4
66.25592	0.6
69.00581	0.8
71.01379	6.6
71.33073	1.2
73.02971	1.7
81.03443	1.6
83.30022	0.7
83.51424	0.7
85.02960	1.8
89.02455	3.5
95.01418	0.8
99.04519	12.5
99.05114	1.1
101.02440	6.2
109.02928	1.0
113.02462	2.3
119.03580	1.3
119.05080	0.9
121.36681	0.7
125.02455	9.3
133.06563	0.9
135.04494	1.4
149.02425	0.7
149.83337	0.6
153.01958	0.7
161.02492	0.9
161.04591	1.5
164.07228	0.8
175.07664	0.9
177.05595	1.3
183.13908	1.0
218.05826	0.9
219.06627	100.0
220.06921	4.5
261.07617	1.8
282.00140	0.8
292.97046	0.8
315.08417	0.8
363.20160	4.3
490.19751	1.2
525.25476	9.0
526.25421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	35.1
59.01382	16.3
59.96262	1.0
61.98844	4.8
69.23123	8.3
71.01380	13.4
73.02940	4.4
81.03453	2.7
83.01398	2.7
85.02968	3.0
87.00851	1.7
89.02415	4.4
95.01371	1.0
97.02885	1.0
98.22669	1.6
99.00902	1.5
99.04522	39.1
100.04855	1.0
101.02451	17.0
108.02161	6.8
113.02441	4.1
118.96684	1.1
119.03512	2.3
121.02942	2.1
123.04524	3.6
125.02454	25.7
135.04567	2.1
135.08133	2.6
143.03520	1.5
144.05775	1.6
149.04585	1.1
159.08160	4.1
161.02470	1.5
161.04556	2.8
161.06027	1.9
161.09790	1.1
171.08127	0.9
172.34618	1.0
173.05988	1.6
173.09648	1.2
175.07675	1.0
176.08450	3.3
179.05678	1.8
185.06091	0.8
186.06891	2.3
186.12593	1.0
189.05577	20.7
191.10751	7.0
201.09229	4.0
203.07207	1.4
203.10797	1.4
204.07933	16.1
218.09549	2.5
219.10268	100.0
220.10640	4.3
273.11395	1.6
279.03745	0.9
321.10120	1.0
346.30289	0.9
361.26108	2.0
362.26965	16.5
363.14560	4.1
363.27338	16.3
381.15704	11.4
423.16544	3.1
463.21094	1.1
465.14673	2.5
483.15393	1.9
525.19458	1.8
526.32318	1.7
529.52252	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	525.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34340	1.3
61.98817	2.1
65.72919	1.4
70.94807	3.6
77.75918	1.4
97.95886	1.3
98.86404	1.7
108.67137	1.6
137.06052	2.4
150.06894	6.6
151.40443	1.6
155.14407	1.7
179.10794	2.4
183.13834	2.5
199.13371	3.2
211.13454	2.5
229.14456	100.0
230.14793	3.1
249.14467	1.5
253.14436	2.0
273.33997	1.7
291.19525	2.2
309.20660	11.4
327.21756	45.7
328.22089	3.9
406.36197	1.7
464.31125	1.9
525.25171	3.9
525.34198	15.6
525.95221	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	525.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
59.01379	3.1
59.76141	1.2
61.98812	3.7
62.66052	1.3
69.63429	5.1
69.63839	2.6
71.01392	3.3
99.04536	1.3
111.08169	2.6
125.02427	1.4
131.18477	1.0
161.02493	1.7
169.12335	1.9
197.11862	16.5
199.13385	2.7
211.13356	2.9
219.06593	1.7
244.78688	1.3
267.46329	1.2
309.20877	2.9
325.20221	1.8
327.21802	100.0
328.22055	5.9
334.40765	1.3
473.97540	1.4
525.24860	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	525.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87016	4.1
58.67948	3.5
59.01387	43.8
71.01391	100.0
71.09492	5.9
71.09830	5.0
72.99314	53.3
73.02931	4.2
75.00877	11.2
85.02975	10.3
87.00890	6.8
89.02468	30.0
89.39727	3.9
90.44719	4.6
101.02427	6.0
103.00384	16.3
123.92741	4.2
133.01445	59.5
135.25322	4.5
167.30399	4.1
192.85201	3.9
200.08917	5.3
218.21626	3.8
230.06886	4.0
413.98843	5.0
417.37350	6.0
436.70190	4.3
439.27643	4.1
445.36838	29.2
525.37988	37.9
543.16125	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
65.35288	1.5
71.01392	5.2
71.32058	1.8
78.95911	5.9
79.95733	3.3
89.02485	1.9
90.97155	11.4
96.96024	100.0
96.96992	6.0
116.98692	2.5
118.96644	11.4
132.98187	1.8
146.96162	9.9
149.83922	1.6
161.94807	2.4
163.49605	1.4
164.97656	1.8
191.95885	1.4
205.12289	2.0
206.02444	1.7
237.00974	2.3
249.11284	2.8
279.09094	2.5
290.28058	1.5
305.07114	2.7
321.10309	1.7
323.08121	3.1
335.07959	3.4
347.07922	1.7
363.27185	1.9
364.27313	1.7
429.17380	2.2
442.14429	1.8
467.12381	87.7
468.13086	8.4
472.76086	1.6
484.09982	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	527.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90211	2.7
52.29357	3.2
57.03455	75.7
59.01386	33.7
61.98832	8.8
69.03464	17.4
70.95726	5.2
71.01389	17.4
71.05027	27.9
72.99314	9.0
73.02944	11.7
78.62981	2.9
81.03477	4.0
83.01390	5.5
83.04990	3.5
89.02473	3.0
96.96038	7.2
97.06625	4.5
99.04527	60.4
101.02457	23.5
109.06609	5.4
113.02466	3.5
121.02987	17.1
123.04523	11.1
123.08164	3.5
125.02456	37.2
127.07636	6.0
134.03766	4.7
136.05292	12.6
137.06050	4.1
141.05608	4.3
149.09679	7.1
151.07660	44.6
161.02466	24.4
161.04553	10.1
169.08754	4.1
177.09204	6.4
193.08662	4.4
221.08200	100.0
222.08522	4.2
305.08823	10.4
327.21710	6.0
329.23285	8.3
439.34317	4.9
465.32288	24.7
482.48090	3.2
483.33203	32.8
527.32404	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	527.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	41.1
59.01094	1.0
59.01384	18.2
61.98831	0.8
66.62947	0.5
67.01894	0.6
69.27163	1.9
69.27579	2.4
71.01035	0.7
71.01392	9.8
72.99301	0.6
73.02951	3.8
81.03468	1.7
83.01395	1.3
84.02168	1.1
85.02961	2.6
87.00871	2.2
89.02460	3.2
95.01360	0.9
95.05056	0.5
97.02985	0.5
98.22518	0.5
99.00880	0.9
99.04527	36.9
100.04790	0.5
101.02455	13.8
109.06596	1.0
113.02448	2.6
119.03495	1.7
121.06650	0.7
123.04540	2.1
125.02459	26.8
131.03525	0.7
137.06097	3.8
137.09726	6.9
139.07706	0.5
143.03510	1.3
147.04494	0.5
149.04503	0.6
149.09755	0.7
151.07632	0.6
161.04593	1.5
161.09731	8.7
163.07646	0.5
163.11290	2.2
165.09219	3.1
165.12775	0.6
175.11362	1.1
177.09248	0.6
177.12833	1.2
178.10036	1.9
179.05608	1.0
189.09233	1.1
191.10771	2.6
192.11639	0.7
193.12314	5.3
203.10786	12.0
204.11121	0.7
205.08691	0.6
206.09520	7.4
207.09918	0.7
220.11082	1.1
221.11835	100.0
222.12180	4.9
313.59088	0.6
351.37515	0.5
365.16028	3.8
383.17145	8.8
425.18188	2.4
458.75882	0.5
465.21521	0.7
527.21594	1.7
536.51202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32329	1.7
55.01886	2.8
57.03450	69.7
59.01385	60.8
66.77717	1.6
69.05513	19.4
71.01388	29.8
73.02960	12.6
75.00873	3.6
81.03450	4.8
83.01389	6.2
85.02967	13.7
87.00893	2.7
89.02464	5.0
95.01347	2.0
99.00888	4.1
99.04523	65.8
101.02448	38.1
113.02464	9.4
121.06600	4.7
123.04491	1.7
125.02457	53.2
125.03342	3.5
129.01962	2.9
130.14781	1.8
137.09729	46.9
143.03439	2.7
147.08165	2.9
149.09741	2.4
155.27292	1.8
159.08189	2.7
159.72690	2.0
161.04550	5.1
161.09663	2.5
163.07632	2.4
163.11298	67.4
164.11580	1.8
165.09306	2.0
187.07677	7.1
187.11302	3.4
203.10786	90.1
205.12378	3.0
221.11778	8.8
227.10579	1.9
276.43164	1.9
287.12909	2.2
312.68820	1.9
347.14987	20.3
365.16055	53.1
366.16275	4.0
383.17142	100.0
384.17447	5.8
425.18198	69.0
426.18695	5.3
465.21011	13.3
483.29300	2.1
495.33426	1.9
527.21539	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	527.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53571	1.1
57.03445	2.3
59.01374	2.1
61.98826	2.0
67.52494	1.0
69.28091	5.6
69.28497	2.9
71.01382	1.4
78.91912	1.1
99.04517	1.7
99.08128	1.4
106.51012	1.0
125.02453	1.7
137.06100	4.8
148.39537	1.1
171.10312	2.7
183.13976	2.8
193.12514	1.3
211.13423	14.0
221.11812	1.7
229.14465	9.8
327.21814	5.8
329.23346	100.0
330.23636	6.7
412.96066	1.3
467.30048	2.0
527.26044	6.3
527.34650	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03155	1.3
55.89839	1.0
58.02961	1.1
61.98838	9.7
70.84362	3.1
74.02489	7.6
75.00864	2.8
85.04095	1.1
87.05641	25.3
96.99876	1.1
97.04059	1.1
104.46027	1.1
113.03577	4.4
115.08777	4.6
129.06700	6.0
131.04597	6.1
138.76007	1.2
139.08794	2.6
140.07275	1.6
140.08295	4.6
141.10352	3.2
141.93712	1.0
143.11923	1.7
151.08858	5.7
158.09344	4.4
168.11432	5.1
169.09782	3.8
182.09360	3.7
183.14955	1.1
186.12436	4.3
200.10381	2.0
200.14055	20.2
211.14589	3.1
213.08173	1.0
229.68535	1.0
239.15114	5.3
242.18712	2.8
244.12996	1.7
257.16220	1.7
264.17258	1.1
281.16196	8.3
281.19214	1.6
299.17209	8.6
299.20822	7.6
370.24432	3.1
455.39816	1.0
456.29889	1.3
467.32605	1.4
483.29019	1.7
527.28265	100.0
528.03070	1.7
528.28528	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
123.35989	90.3
125.26350	100.0
146.25461	96.6
198.42062	87.3
204.02209	92.4
245.38354	84.1
295.50342	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61312	35.8
70.85382	100.0
71.80131	44.0
96.96019	41.3
117.72837	37.3
139.73750	38.7
147.33246	42.4
168.89412	47.6
185.23341	43.1
332.95660	44.6
358.25018	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93183	0.4
56.70555	0.4
58.41218	0.5
59.01394	0.4
69.00652	5.0
72.99321	2.3
75.00882	100.0
76.01234	0.7
76.41486	0.5
89.83894	0.4
107.42297	0.5
139.19237	0.5
390.06522	0.6
444.33044	0.5
451.32843	0.6
467.32458	0.7
554.52252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.0
59.01387	7.5
62.22364	1.0
71.01390	7.8
71.24126	2.0
74.02490	1.3
81.03474	5.4
85.02952	1.8
89.02450	9.3
99.04588	1.0
101.02454	6.3
108.04559	1.9
113.02451	3.4
113.03590	1.6
114.01984	2.3
114.05637	1.1
119.03522	5.7
125.02455	100.0
126.02811	2.0
127.05196	1.2
128.03523	2.8
130.08752	1.4
131.03539	1.3
134.02519	4.3
143.03479	1.6
145.06219	1.2
152.03560	12.1
161.04559	2.0
179.05577	1.3
179.11946	1.3
214.15724	1.4
314.08798	10.8
385.26080	1.2
485.27206	1.4
527.31958	2.9
528.31708	3.4
529.25922	2.2
548.05786	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	528.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
59.01394	1.8
61.98838	100.0
63.36077	0.2
65.51855	0.3
67.27830	0.3
69.12706	2.7
71.01397	0.9
72.57221	0.3
84.02190	0.8
85.02995	0.4
89.02445	0.4
96.96027	0.9
99.04529	1.3
99.88995	0.3
101.02474	1.1
102.42092	0.3
125.02527	1.0
135.14352	0.3
205.12373	0.7
219.86859	0.3
219.88989	0.3
223.13545	0.7
288.07053	0.3
385.18994	0.8
427.19629	0.6
529.23413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08410	1.2
55.76747	1.1
59.01375	3.9
68.27251	1.0
71.01388	21.7
73.04094	1.0
73.04470	1.0
76.68967	1.1
80.05064	1.6
81.03446	1.4
87.05651	10.9
88.04045	38.4
91.42052	1.1
96.00915	1.8
97.04051	1.6
98.02481	2.8
98.22619	2.0
99.04507	1.4
101.02470	1.3
103.92062	1.6
104.92788	1.2
110.03603	2.0
113.03591	2.0
113.07214	1.3
114.05617	1.3
115.00387	28.2
115.08783	25.1
121.28474	1.0
125.02466	4.9
127.05171	1.8
128.03558	2.9
129.10359	4.7
130.00716	1.0
130.08774	1.2
131.08223	1.0
132.03041	13.6
136.06429	1.7
140.07181	3.4
141.06755	1.6
145.02997	1.4
155.08313	1.5
155.11940	1.9
157.13521	1.3
159.07765	3.4
161.02460	2.0
165.10301	12.4
167.51352	1.1
169.09776	1.3
171.94617	1.4
180.03819	1.1
181.13428	1.6
182.12971	7.8
183.15030	1.3
185.05739	2.0
200.14044	21.9
201.12457	1.8
203.06796	1.8
207.15021	1.8
211.14511	5.8
216.27049	1.1
228.17177	17.2
238.09492	1.6
280.24094	1.8
295.21561	2.3
313.22589	2.6
323.24536	1.9
341.25375	1.3
394.28311	3.0
398.28879	1.4
412.29312	36.8
413.27695	46.5
414.28003	3.8
433.51083	1.2
447.61328	1.5
484.31564	12.5
507.91132	1.4
528.30493	100.0
529.30988	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	529.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.2
65.01564	8.5
65.91817	10.3
67.57066	8.2
69.17130	8.3
71.01387	17.1
71.30581	14.9
79.33951	8.8
79.62646	9.2
89.02441	14.8
99.04529	44.6
102.65587	9.2
115.00386	12.5
125.02462	100.0
126.02776	16.4
133.01466	26.7
135.02718	8.8
135.04523	10.4
143.03505	54.0
167.24423	9.0
169.01407	10.9
187.02531	20.4
266.27701	10.6
314.08798	15.8
484.89215	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	529.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35118	46.1
57.93307	45.5
62.46669	45.4
66.23603	50.1
71.00946	82.5
71.01318	94.8
99.04527	67.7
105.39957	51.2
122.52130	46.4
125.02477	70.6
143.03581	100.0
175.27965	49.4
211.44424	62.2
240.13603	47.7
445.81235	52.0
472.92215	61.1
489.23532	52.7
511.26251	74.1
529.28937	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15046	7.3
54.55065	7.9
57.03450	67.1
59.01384	75.7
61.98821	11.8
70.58447	26.4
71.01392	19.5
78.05071	7.8
84.20323	7.6
84.29860	7.8
85.02995	8.8
92.20786	7.4
99.04539	100.0
101.02441	23.7
115.58025	8.7
125.02479	46.6
137.09747	14.8
161.04626	18.3
163.16393	9.6
179.10840	48.9
205.12410	21.5
222.54996	8.7
223.13408	33.7
301.48840	8.5
310.29605	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	529.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	93.3
59.01382	97.3
61.98814	7.4
64.25694	5.1
66.09531	3.6
70.56944	7.0
71.01386	28.9
73.02953	22.1
83.01388	7.0
85.02961	7.3
87.43123	3.2
89.02438	17.1
99.04529	100.0
101.02459	46.3
113.02443	12.2
115.24574	3.8
119.03500	8.0
123.04522	4.7
125.02448	43.0
143.03497	9.1
161.04552	8.3
165.09203	4.8
221.06844	3.8
244.92946	3.9
385.18707	9.5
427.19675	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	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03450	100.0
59.01383	95.5
60.65466	1.5
69.03443	2.1
71.01390	44.5
73.02954	20.1
81.03471	2.8
83.01383	10.7
84.02172	37.8
85.02961	11.6
87.00878	5.7
89.02452	17.6
92.20956	1.5
99.00906	2.6
99.04527	85.5
101.02445	52.5
109.02949	1.6
113.02444	14.7
119.03530	8.0
123.04540	3.7
125.01565	2.7
125.02459	41.7
127.03989	2.2
143.03487	4.8
151.11363	2.0
161.04539	11.1
161.13336	16.6
167.10809	3.7
168.67195	1.9
175.11330	2.7
179.05597	4.7
187.11343	2.2
205.12344	38.1
223.13400	48.9
224.13782	2.7
241.14377	3.0
273.65427	1.6
277.14374	1.9
295.15332	2.0
367.17596	22.2
385.18692	79.1
386.19061	6.1
427.19781	43.4
428.20081	3.6
467.22742	7.3
529.23010	23.6
530.23755	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	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	72.2
59.01379	81.6
61.09136	6.6
61.98822	24.5
69.04295	37.3
69.04723	31.7
71.01382	53.6
73.02933	29.6
83.01407	15.4
85.02932	13.0
89.02467	19.4
95.95600	6.2
97.02897	5.9
98.21819	14.8
99.04528	100.0
101.02441	64.1
113.02460	36.6
119.03488	15.2
123.04524	28.5
125.02460	42.5
161.04576	29.1
179.05487	13.6
207.30804	6.4
238.88371	8.1
263.07678	7.5
285.74612	6.5
323.09756	9.6
328.44534	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	46.8
59.01382	38.3
63.81221	0.9
64.00341	1.1
64.74738	1.0
67.85391	0.9
69.03750	11.1
71.01381	11.9
73.02956	9.4
81.03458	1.9
83.01404	3.9
85.02950	5.0
87.00900	1.3
89.02454	5.6
95.01421	1.2
98.22533	1.9
99.04527	49.8
101.02454	19.2
113.02461	5.9
113.98266	0.9
119.03516	2.9
121.06647	1.6
123.04559	3.3
125.02461	33.9
131.03551	2.3
141.05603	1.2
143.03528	2.9
147.08171	3.5
160.08891	1.1
161.04523	6.5
161.09796	0.9
163.11298	43.6
164.11687	1.4
166.86172	1.1
175.11307	12.9
176.11636	1.0
177.12755	0.9
187.11292	6.0
190.09964	1.1
202.80336	1.0
203.05666	5.0
205.12341	100.0
206.12715	4.3
221.06699	8.7
223.13478	1.3
263.07657	5.6
284.44687	1.1
367.17719	2.9
385.18671	1.9
419.46463	1.0
485.23828	1.5
529.22858	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	92.7
59.01088	3.3
59.01384	58.4
63.86446	1.5
71.01386	18.8
73.02946	7.6
78.79821	1.7
81.03470	3.4
83.01389	5.6
84.02173	49.1
85.02967	2.6
87.00880	3.6
89.02430	12.4
91.79654	2.0
97.84158	1.6
99.04530	100.0
100.04883	1.7
101.02461	30.5
103.44867	1.7
113.02457	3.3
119.03500	5.1
123.04590	1.9
125.02462	53.1
126.02867	2.1
141.05640	1.9
143.03508	4.0
151.11320	2.5
161.04623	4.1
162.99730	1.8
183.73524	1.8
187.11368	2.6
205.12363	41.8
206.51234	1.8
221.11806	2.2
223.13412	48.8
224.13728	2.2
247.13354	2.5
274.70807	1.9
367.17514	27.2
385.18750	29.5
427.19806	17.4
428.20383	2.2
467.22879	3.9
529.22778	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	529.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	86.3
59.01387	87.9
69.07172	16.5
71.01390	30.2
73.02955	11.5
74.72232	1.3
81.03428	3.7
81.70800	1.4
83.01423	4.6
85.02982	7.9
89.02450	7.5
95.01383	1.5
99.00913	2.5
99.04534	100.0
100.04864	1.8
101.02454	31.2
113.02454	14.8
113.06109	3.2
119.03512	4.0
123.04504	2.6
125.02459	47.6
136.05370	2.2
138.06877	9.5
139.07689	3.1
143.03505	8.3
149.02454	3.6
151.07649	7.2
152.08434	16.6
153.09221	47.1
154.09628	1.7
161.04594	13.1
179.05672	3.0
205.05128	3.2
205.12326	24.4
223.06177	2.1
223.13420	13.3
240.44786	1.6
367.17667	31.1
385.18723	28.7
386.19025	1.8
427.14551	1.4
427.19659	10.0
467.22989	1.8
485.23807	1.8
529.22729	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40565	1.2
55.01868	1.3
55.63124	1.3
57.03452	85.1
58.00576	1.5
59.01383	90.6
61.98826	4.1
69.13721	11.9
69.14130	2.9
69.46889	1.4
71.01387	38.3
72.99306	2.7
73.02951	19.8
73.37357	1.4
75.00883	2.2
80.63365	1.2
81.03486	2.2
82.37045	1.3
83.01392	6.5
83.05008	1.4
84.02161	1.8
85.02947	7.7
87.00891	2.3
87.05669	1.4
89.02457	19.5
96.00957	1.7
96.96019	4.2
97.02960	2.4
97.64090	1.3
98.22470	2.9
99.00867	1.7
99.04528	100.0
99.92593	15.1
100.04887	3.5
101.02453	51.7
113.02456	19.1
115.92087	23.0
116.92092	2.8
116.92864	21.9
119.03510	11.6
121.03003	1.5
123.04540	8.2
125.02458	50.0
127.05206	2.1
128.03552	2.5
143.03510	6.8
149.02385	1.9
149.04567	3.0
150.25876	1.3
151.11342	1.8
161.02475	2.4
161.04550	16.8
163.11310	1.7
169.09778	1.3
179.03613	1.3
179.05630	5.3
179.10809	2.6
187.11266	6.2
190.02753	2.0
205.05025	3.4
205.12355	10.2
221.11832	2.8
223.09779	2.2
223.13402	9.8
242.95958	1.6
243.96692	1.8
251.20836	1.4
265.07178	1.8
265.10696	1.3
284.18024	1.7
305.05170	1.9
323.09995	1.6
333.04480	5.0
334.04330	1.5
367.17667	5.6
385.18564	14.4
385.22943	1.6
427.19626	5.6
450.61542	1.4
529.10199	4.1
529.22528	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	530.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
62.58309	1.6
64.10555	1.6
66.76838	1.5
70.67116	1.7
71.01376	3.2
73.04067	4.0
74.02470	5.9
78.88652	1.8
79.82305	1.9
84.00864	1.8
87.05637	2.0
88.04050	50.4
96.00919	2.7
96.96029	2.1
99.04581	2.0
100.04080	3.1
101.02469	1.9
101.07217	6.0
107.54443	1.8
115.08788	2.5
116.07185	6.7
125.07217	3.7
125.92248	1.7
127.05154	16.1
128.03564	13.2
129.10355	16.2
130.08786	3.1
137.07228	3.3
139.08757	2.9
140.07201	3.7
141.10362	1.9
143.11929	13.5
145.06200	3.9
152.10698	2.1
155.08246	3.9
165.05412	2.1
165.10347	4.4
169.09866	6.5
179.11899	21.8
180.10255	8.5
186.12445	2.4
187.10933	16.0
197.12936	2.8
200.14035	9.6
200.26793	1.5
209.09357	3.5
214.15645	6.0
222.12492	37.2
222.14484	3.2
223.10854	6.3
223.12798	1.9
226.12056	2.3
231.11113	1.7
240.13564	24.4
244.13098	4.4
254.15121	2.3
258.14658	20.0
298.14316	2.9
335.21066	2.4
353.22055	4.2
357.21558	3.6
397.20877	10.2
414.84155	2.2
468.24683	21.9
469.24792	2.1
486.18381	2.8
486.25742	98.2
487.26144	6.9
512.27649	9.2
530.28510	100.0
531.28839	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	530.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45390	0.8
62.91456	1.0
66.82124	0.9
69.04755	9.5
69.82400	1.0
76.22559	0.8
78.95911	24.5
90.52326	0.8
96.96017	7.9
98.21729	1.6
101.95922	0.8
111.62170	0.9
142.08154	0.9
152.99557	6.3
168.04276	2.2
176.11902	0.8
193.89491	2.7
196.89481	1.6
224.06935	8.9
242.08102	1.1
249.92096	3.9
255.23306	100.0
256.23596	6.3
267.93121	1.6
280.23569	1.1
480.31012	56.4
481.31387	4.9
530.30743	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	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70747	0.6
56.57303	0.6
57.03459	6.2
59.01384	6.8
61.98847	3.3
69.05684	7.4
70.90078	0.6
71.01395	4.4
73.02962	1.5
83.01398	1.2
85.02954	1.3
87.00906	1.0
89.02455	1.9
93.03442	0.7
96.96057	0.7
99.04532	7.5
99.85056	0.9
100.04887	0.6
101.02464	5.1
113.02454	2.1
113.06129	0.6
117.03483	32.1
118.03795	1.0
119.03543	1.0
119.05039	7.5
125.02457	2.7
133.03050	0.7
135.04456	0.9
145.02974	100.0
146.03314	3.7
149.02481	2.4
159.04611	0.9
161.02464	2.2
161.04633	1.4
161.06068	1.4
163.04042	10.2
164.04771	2.7
175.00386	2.1
177.05684	0.9
179.07068	0.9
187.04016	3.3
190.02753	5.7
191.03506	1.2
205.05119	7.0
206.05707	1.0
207.03001	0.9
208.03770	1.2
221.08168	1.1
223.06149	5.4
265.07285	3.5
295.08310	1.0
323.07837	1.4
325.09320	2.7
337.39520	0.7
353.08899	1.9
367.10355	12.0
368.10941	1.3
385.11578	1.0
387.20187	1.0
396.97144	0.6
406.31573	0.7
429.21085	0.7
531.15149	4.0
556.08710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02717	1.4
57.03453	89.6
58.00603	1.9
58.03791	1.8
59.01384	91.2
64.18324	1.4
64.54588	1.3
69.03449	1.6
69.29420	12.5
71.01386	30.9
73.02953	22.4
81.03481	1.8
83.01392	5.8
85.02979	12.1
89.02445	6.3
97.06590	1.6
99.00882	3.5
99.04526	100.0
101.02453	34.6
113.02480	12.7
113.55811	1.4
119.03491	3.5
123.04477	1.8
125.02462	43.7
143.03517	5.1
161.04562	20.0
163.11288	2.8
163.43001	1.6
165.12897	1.8
169.62627	1.4
179.05600	1.6
185.09845	1.4
187.11317	2.4
189.12846	6.5
203.05675	7.8
205.12326	3.2
207.13974	7.0
212.47327	1.4
220.45049	1.4
225.14952	33.7
226.15372	1.9
386.55542	1.4
387.20200	4.3
392.95334	1.6
420.22305	1.3
429.21262	3.0
476.21432	1.5
531.24609	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	531.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40646	1.6
57.03454	78.1
59.01387	100.0
69.03471	1.9
70.36610	4.3
70.36929	1.7
71.01391	33.6
72.99327	2.8
73.02959	28.2
74.20240	1.6
81.03471	1.8
83.01399	7.3
85.02974	4.6
87.00911	3.2
89.02458	25.3
89.31007	1.4
99.04535	83.0
101.02460	51.7
113.02455	14.0
119.03516	10.7
123.04517	9.3
125.02467	40.1
126.06457	1.6
126.54586	1.6
131.03522	4.3
141.05623	3.5
143.03528	7.0
149.04562	4.9
161.04536	8.7
179.05605	9.9
202.71303	1.5
207.13684	1.9
291.16064	2.0
369.19104	2.8
387.20340	9.1
429.21594	3.6
469.93896	1.7
531.24530	13.3
557.15283	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	531.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	78.8
58.03790	1.3
59.01384	97.5
61.34393	0.9
61.98842	1.0
69.32078	7.2
71.01388	24.5
72.99246	1.1
73.02958	10.0
81.03442	1.3
83.01383	4.6
85.02959	6.2
87.00896	1.4
89.02452	10.8
95.01398	2.2
99.00896	1.5
99.04527	100.0
100.04898	1.3
101.02451	33.3
113.02445	9.2
119.03532	4.6
120.01226	1.0
123.04484	2.1
125.02458	40.3
126.02824	1.1
143.03490	6.1
161.04570	10.0
179.05586	3.3
189.12889	2.5
203.05644	1.2
207.13936	2.1
237.03656	0.9
297.41132	1.1
369.19263	6.6
378.09198	0.9
387.20166	2.1
411.20377	3.9
429.21268	3.8
488.97079	1.1
524.56085	1.1
531.24518	9.0
532.25073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64745	1.0
54.28508	0.9
55.01860	1.1
56.72857	0.9
57.03450	86.7
58.03780	1.3
58.95810	1.1
59.01383	96.0
66.38248	1.2
70.66333	3.8
71.01385	21.9
72.99294	1.3
73.02944	10.3
81.03449	1.4
83.01387	5.5
85.02959	7.1
89.02460	5.1
95.01412	1.7
99.00884	2.4
99.04525	100.0
100.04852	3.7
101.02452	34.1
112.13905	1.0
113.02450	10.1
113.55316	1.2
119.03494	4.6
123.04487	1.2
125.02457	42.8
126.02739	1.7
131.38567	1.1
137.09763	1.9
143.03511	5.6
149.04527	1.8
159.02960	1.1
161.04556	12.4
179.05536	2.8
179.10820	1.3
182.85803	1.0
194.59163	1.2
203.05577	4.4
207.13824	2.3
225.15038	1.6
387.20407	3.0
429.21347	3.6
487.25549	1.4
531.24304	9.6
532.24585	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	532.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.11539	0.5
66.15132	0.6
71.01394	0.8
72.00920	15.1
79.67643	0.6
108.97221	4.6
119.04986	0.6
122.19372	0.6
125.02504	0.8
127.96706	1.5
147.04549	41.2
148.04886	1.6
154.97772	8.7
164.07188	43.1
187.10873	0.7
190.99646	0.9
200.98303	6.0
244.53645	0.7
293.04654	1.1
364.08035	0.7
398.56888	0.6
440.11542	5.3
532.17712	100.0
533.18121	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	532.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39062	1.0
55.45824	0.9
59.01391	2.4
65.10331	1.2
69.10014	10.1
71.01375	1.7
78.95906	1.9
85.02959	1.6
87.76653	1.0
89.02448	1.5
101.02448	2.4
106.00239	0.8
110.36312	1.0
113.02470	1.3
116.46532	1.2
152.99617	2.1
196.89508	1.2
235.08269	1.7
253.09303	12.5
253.21742	100.0
254.22154	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	532.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	18.6
58.03783	2.2
59.01384	20.7
60.01713	1.8
61.98813	1.8
70.02972	0.8
70.66472	1.0
70.66781	0.8
71.01388	7.9
72.00906	2.8
72.01748	1.0
73.02956	3.2
74.15687	0.6
81.03467	0.8
83.01382	1.6
85.02968	2.5
87.00909	1.0
87.05641	12.5
88.04044	2.7
89.02458	5.3
91.05541	1.5
97.04091	1.2
98.02488	1.8
99.04522	18.2
100.04848	3.8
101.02454	7.0
101.04990	0.7
102.02782	1.4
113.02459	4.6
113.03593	2.2
114.02794	1.4
114.05651	0.8
119.03531	2.3
119.05030	0.7
123.04534	1.3
123.05638	3.0
125.02470	7.5
126.02737	1.5
128.03549	1.0
129.10350	12.0
130.08778	1.2
135.04547	1.0
139.08784	1.2
140.08286	5.4
141.05632	0.6
141.06731	1.2
143.03502	1.8
144.03777	0.6
147.04538	12.5
149.04500	0.5
155.11971	0.7
158.09358	27.6
161.04555	3.3
162.04929	0.9
162.50922	0.6
163.11308	1.7
164.07173	22.6
164.11665	0.7
165.07515	0.8
165.10315	1.8
166.08801	0.7
179.05594	1.4
182.12971	2.5
191.11928	5.2
195.15013	1.0
197.16714	0.8
200.14027	2.2
205.05107	0.7
205.12367	1.9
206.12627	3.0
207.12871	1.2
209.08185	1.0
217.09840	0.9
225.16211	2.9
235.10934	2.2
242.18748	12.9
252.20763	1.1
253.16618	3.1
262.15649	4.7
274.39743	0.6
295.21411	2.5
306.14807	1.6
313.22473	1.1
323.24808	0.7
375.24057	2.3
487.00598	0.7
488.32416	2.9
532.31464	100.0
533.31989	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	533.1305
Annotation	6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
57.31375	0.5
59.01379	1.0
63.25324	0.5
69.05140	6.1
71.01383	0.6
93.03452	1.7
117.03468	3.8
119.05028	1.4
119.45759	0.6
135.04526	1.5
149.02467	0.7
155.59984	0.6
161.02457	1.9
163.03999	0.9
175.03986	1.7
177.01939	1.1
179.03621	0.9
189.01909	0.9
191.03557	1.5
203.03485	1.4
205.05070	0.7
221.04556	0.9
238.06134	0.6
245.04498	0.7
267.06671	0.9
268.07513	0.6
272.98654	0.7
281.04559	1.0
282.05292	1.8
283.06165	4.6
295.06107	5.1
296.06799	2.3
297.07706	17.3
298.08038	1.0
307.06165	1.6
309.07861	2.6
311.05637	4.9
323.05692	4.3
324.06348	0.9
325.07202	8.1
325.10748	1.0
328.05981	3.1
335.05618	1.3
337.07227	3.6
341.06955	0.6
351.05002	0.6
353.06677	31.0
354.07147	2.2
356.05292	0.9
365.06732	5.9
367.08295	0.9
383.07764	24.5
384.08139	1.2
395.07620	3.3
397.09097	0.9
409.09320	0.7
413.08704	2.5
425.08939	2.0
443.09821	18.4
444.10248	1.6
455.09662	0.8
473.10892	6.8
515.11676	3.2
533.13037	100.0
534.13428	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	533.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01375	2.8
59.07103	0.5
69.06730	1.4
69.07142	3.5
71.01372	1.7
80.91682	1.1
91.81852	0.5
93.03464	1.2
99.04537	2.2
101.02469	1.1
112.84319	0.5
117.03493	4.3
122.57145	0.4
125.02456	0.8
131.05049	0.6
135.04523	1.7
146.50864	0.4
147.04535	1.0
149.02490	1.0
149.06094	0.5
159.04504	0.6
161.02460	2.3
163.04018	1.1
167.26906	0.5
175.04045	1.2
177.01950	1.1
177.05605	1.0
191.03519	1.5
203.03525	0.7
217.04991	0.6
221.04495	0.5
227.51100	0.5
231.02682	0.5
243.06654	0.5
253.08612	0.7
267.06537	0.9
281.04596	1.2
282.05377	1.1
283.06155	3.5
284.28751	0.5
293.04819	0.7
294.05313	0.7
295.06146	5.0
296.06857	2.2
297.04315	1.0
297.07684	15.7
298.08105	0.8
307.06149	1.9
309.07764	1.8
311.05588	3.3
323.05685	4.5
324.06055	0.9
325.07202	7.2
328.05835	2.5
335.05676	1.4
337.07034	2.8
341.06784	0.9
351.04913	0.6
353.06696	27.3
354.07022	1.8
355.08304	1.5
356.05408	1.5
365.06696	6.2
379.08313	0.6
381.05969	0.8
383.07773	22.0
384.08121	1.4
395.07828	3.0
407.07605	1.3
413.08966	2.6
425.08765	1.8
443.03934	1.0
443.09897	14.7
444.10269	1.4
455.09744	0.8
473.10950	8.0
474.11151	0.7
515.12036	2.5
533.13049	100.0
534.13409	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	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18800	0.5
57.03440	1.9
59.01383	4.0
69.62297	2.2
71.01377	2.2
79.01900	0.5
83.01410	0.5
85.02941	0.5
89.02445	1.2
93.03466	1.7
95.01381	0.5
95.28739	0.5
98.21792	0.5
99.04536	2.4
101.02450	1.3
107.34699	0.5
109.02953	1.2
112.21442	0.6
117.03488	5.8
119.05009	1.2
121.03018	0.6
123.04503	0.4
125.02464	1.3
128.03558	1.6
133.02925	0.9
134.03720	0.5
135.04555	3.1
136.69238	0.4
137.02396	0.6
143.04604	1.0
147.04478	0.8
149.02422	1.2
159.04475	0.7
161.02441	3.2
161.06044	0.8
163.03990	1.4
175.04015	2.6
177.01938	1.4
177.05557	1.5
179.03481	2.2
185.02504	0.9
187.03984	0.5
189.01965	0.5
189.05582	0.9
191.03474	1.8
203.03539	1.6
205.05017	0.7
207.94792	0.6
217.05083	0.6
221.04553	1.0
223.07558	0.7
224.08479	0.6
233.04639	1.1
238.06361	0.6
239.03642	0.5
243.06639	1.3
245.04480	1.2
251.07187	0.8
253.08661	0.6
257.04449	0.6
259.86938	0.6
266.05820	0.6
267.06500	1.2
268.07367	0.9
281.04517	1.2
282.05347	2.3
283.06177	4.7
287.09171	2.6
294.05374	0.7
295.06100	6.1
296.06946	3.3
297.04315	1.1
297.07690	20.5
298.08041	1.1
306.07645	2.0
307.06073	2.1
307.09177	0.5
309.07483	2.8
311.05548	4.1
321.04294	0.6
323.05569	4.7
324.06262	1.0
325.07178	10.1
326.07483	1.2
328.05930	3.0
335.05612	1.5
337.07199	3.8
351.05151	1.0
353.06671	34.5
354.07227	2.9
355.08344	1.3
356.05191	1.3
361.07025	0.5
365.06699	7.5
366.06976	0.7
367.08481	0.5
371.11594	0.7
381.05927	0.6
383.07739	26.5
384.08057	2.0
395.07770	2.7
407.07663	1.4
413.08752	3.2
425.08936	2.7
443.09802	18.9
444.10129	1.7
455.09976	1.5
472.25919	0.6
473.10837	7.7
474.11081	1.0
515.11920	2.7
533.13000	100.0
534.13257	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	533.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51679	0.2
61.51616	0.2
61.98834	0.6
62.44476	0.2
62.96394	0.3
68.40736	0.2
69.06023	0.3
69.06365	2.4
73.69556	0.2
73.81125	0.2
77.74938	0.2
78.95904	24.9
96.96011	1.5
96.96969	0.8
98.95601	1.7
98.96432	0.3
99.92591	0.5
115.92109	0.4
116.92813	1.3
121.22110	0.2
123.56043	0.2
152.99579	2.4
178.88434	8.5
179.89249	4.5
180.90013	7.8
181.90022	0.3
194.87881	0.6
196.89488	100.0
197.89510	3.8
198.89893	0.3
212.88974	0.4
234.91031	0.6
235.91820	0.5
252.92090	0.7
270.74487	0.2
326.10962	0.2
433.23526	0.6
451.17587	0.3
457.10968	0.7
459.12457	0.5
515.15161	0.6
529.12616	0.4
533.16187	5.9
534.16321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	29.2
71.01377	18.8
71.31949	4.7
89.02463	16.5
89.27650	4.2
119.03475	5.8
187.71077	5.2
235.07669	5.2
251.07144	32.7
263.07086	17.2
264.07874	13.1
271.09500	14.0
279.06683	26.7
295.06195	11.6
307.06104	10.2
322.08536	8.2
323.05707	34.2
338.08014	31.1
353.10306	100.0
354.10770	5.6
440.55695	5.1
451.15671	34.2
503.62109	5.8
518.82526	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	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33544	1.1
59.01387	1.3
66.56231	1.4
70.50808	3.2
81.46195	1.2
86.36437	1.3
141.75079	1.2
145.02995	1.9
170.73187	1.1
207.08179	2.4
223.07707	2.9
235.07643	3.0
237.05518	2.1
239.07169	6.0
249.05597	4.4
250.06277	2.7
251.07120	16.1
261.05704	1.4
262.06378	2.9
263.07144	8.7
264.07956	3.4
266.05865	3.0
267.06647	25.4
268.07028	1.5
278.05850	1.4
278.09448	1.8
279.06631	22.2
280.06976	1.9
281.08075	1.3
282.09003	12.2
293.08258	1.5
294.05411	5.5
294.08960	8.3
295.06183	7.9
295.09192	2.0
297.11420	5.1
307.06177	5.0
308.06921	2.6
309.07770	9.4
310.08615	4.6
311.05609	2.9
318.48294	1.3
322.08377	9.2
323.05637	21.9
323.09134	2.7
324.05875	2.2
326.08035	10.6
337.07159	1.7
338.07980	17.1
341.10309	63.2
342.10611	3.3
353.10333	100.0
354.10672	7.6
414.22485	1.4
467.36615	1.3
484.23352	1.3
544.91736	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14610	3.8
59.01381	5.6
69.04378	39.7
71.01362	6.0
96.75002	4.1
98.22511	10.5
121.02985	4.9
146.29120	3.8
159.05792	3.8
162.31979	4.3
209.06178	5.1
209.08084	7.2
223.07698	5.4
249.05370	4.6
251.07126	17.8
262.06308	4.4
263.07352	5.7
267.06635	33.6
279.06808	22.6
282.08957	13.8
294.05615	8.2
294.08890	8.8
295.06073	10.9
297.11386	7.5
307.06076	6.3
309.07596	7.3
310.08490	9.1
322.08478	11.6
323.05579	25.3
323.08923	5.1
326.07855	11.3
338.07959	24.4
341.10315	71.2
353.10297	100.0
486.46799	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	533.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25166	0.7
53.31549	0.9
57.03455	65.5
58.00604	1.8
58.03780	2.7
59.01389	100.0
60.01712	2.3
61.01802	1.9
61.98834	1.4
70.41528	0.8
71.01391	31.9
71.32716	0.9
72.99331	2.7
73.02951	6.3
73.04061	0.9
74.03242	0.7
80.91685	1.2
81.03464	1.7
82.95436	1.0
83.01402	4.3
85.02967	10.8
87.00901	1.8
89.02455	31.4
95.01406	2.4
96.96028	1.3
99.00912	1.9
99.04533	73.7
100.04880	4.3
101.02457	34.2
101.04974	2.1
102.02807	1.6
103.02909	1.0
113.02470	14.7
117.03469	1.7
119.03510	12.5
121.02966	1.4
123.04536	1.7
125.02465	32.4
126.02798	1.0
127.02870	1.0
130.08752	0.9
131.03551	2.1
133.02936	0.9
135.04561	2.2
141.98836	0.8
143.03506	5.1
149.04588	1.4
152.63750	0.7
161.02477	3.2
161.04584	7.0
179.05629	7.1
191.03471	0.9
227.16499	1.4
267.06497	1.4
268.07401	1.0
283.06253	1.3
294.05426	0.9
295.06052	2.1
296.06866	1.2
297.07739	7.4
307.06143	0.8
309.07761	1.3
311.05731	2.0
323.05713	2.3
325.07391	4.1
328.06137	1.9
335.05844	0.8
337.07132	1.1
341.10400	2.3
353.06702	11.9
353.10544	3.1
354.06979	1.2
355.08438	1.1
365.06659	2.5
371.17014	2.5
371.20837	2.6
383.07800	9.9
384.08221	1.1
389.17957	2.8
389.22217	10.8
390.22430	1.2
402.78369	0.9
414.01114	0.9
425.08966	1.3
431.23242	4.6
443.09836	7.9
448.74384	0.9
471.26349	0.8
473.10794	3.1
489.26105	1.7
516.25305	1.0
533.13068	38.7
533.25854	7.4
534.13245	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
54.82272	2.8
57.03458	98.7
57.59204	2.2
59.01388	87.8
61.98836	9.5
69.15387	24.1
71.01395	43.4
73.02956	23.1
75.49397	2.5
81.03400	2.4
83.01387	8.0
85.02969	8.5
87.00894	4.0
89.02456	23.4
91.87401	2.9
97.06642	3.0
98.22609	2.8
99.04533	100.0
101.02467	60.9
109.06605	2.8
113.02448	19.3
114.20648	2.4
119.03513	10.5
123.04543	9.5
124.09114	2.4
125.02467	41.3
135.04462	2.5
139.03995	2.7
143.03557	8.1
149.04576	3.5
153.09230	14.8
161.04607	11.3
179.05661	5.7
209.15446	12.0
219.77190	2.3
371.20590	14.6
389.21951	25.8
431.22925	10.6
533.25800	22.1
534.26331	3.1
546.65033	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	533.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45833	1.7
57.03450	100.0
58.03785	2.3
59.01383	86.9
61.98830	6.2
70.66506	4.7
71.01386	28.8
71.47546	1.8
72.99310	3.1
73.02972	11.8
81.03461	4.1
83.01395	5.0
84.72149	2.0
85.02959	9.2
87.00897	3.6
89.02450	21.8
99.04522	84.5
100.04848	3.0
101.02448	41.3
105.95370	1.7
113.02469	13.8
119.03500	11.2
125.02457	31.4
127.05142	2.8
143.03508	6.8
145.06201	3.5
151.45537	1.8
153.09212	3.9
161.04565	10.3
165.05641	2.4
173.76198	2.0
179.05608	6.5
225.72868	2.4
227.07271	2.2
295.99573	2.1
371.20703	8.3
389.21906	12.8
431.22812	5.5
511.27988	2.5
533.26971	14.7
534.28436	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	533.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99407	1.2
57.03458	92.9
58.03798	1.6
59.01388	100.0
59.11316	1.0
60.01707	1.3
61.98838	6.3
71.01393	24.4
72.99296	2.0
73.02953	9.8
81.03461	3.8
83.01388	4.2
84.01740	1.0
84.04540	1.8
84.70930	1.2
85.02959	5.8
87.00909	1.4
89.01945	2.2
89.02461	27.2
92.78079	1.2
95.01420	2.0
98.22545	2.7
98.44250	1.0
99.00893	1.1
99.04536	96.9
100.04839	3.1
101.02463	37.3
102.05601	4.2
105.51563	1.2
108.32383	1.1
109.62264	1.0
113.02469	14.1
113.06092	1.2
115.62679	1.1
119.03514	8.6
123.04514	1.8
125.02474	30.6
125.57239	1.3
128.03569	11.6
130.08746	2.4
131.03505	1.9
141.05542	1.6
143.03481	4.3
143.10876	1.2
146.04671	2.2
149.04626	2.1
161.04575	7.8
162.05658	1.2
171.15068	1.7
179.05618	9.0
192.14403	1.4
205.05098	1.3
206.04668	2.5
244.71400	1.2
285.18164	1.3
297.07513	1.5
312.61151	1.4
353.11011	1.7
371.20892	3.9
389.21820	11.9
405.22598	1.6
414.22424	10.6
417.21310	3.4
431.22928	2.7
501.14612	1.2
502.93134	1.7
533.17786	8.3
533.26514	8.3
534.26605	5.8
554.84595	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	533.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53709	2.0
55.01864	4.3
57.03455	55.7
58.03784	5.3
58.04050	2.3
59.01382	100.0
60.01711	4.7
61.98832	14.6
69.03584	24.2
71.01388	73.6
72.99316	4.3
73.02952	9.6
74.02467	2.0
81.03465	2.8
82.04057	2.3
83.01386	7.3
85.02959	44.3
87.00878	3.6
89.02449	52.9
95.01405	16.1
95.01920	2.5
96.95988	3.2
98.21729	4.0
99.00864	5.6
99.04523	60.9
100.04867	5.7
101.02451	46.9
109.02970	5.1
113.02457	95.3
114.02803	2.6
119.03515	24.1
123.04532	3.9
125.02469	27.1
126.02821	2.5
127.05173	4.2
128.03563	3.6
131.03520	4.8
133.02939	4.0
134.03679	3.3
135.04518	6.5
143.03551	14.5
145.03036	2.3
149.04623	2.6
155.08325	2.7
159.03065	2.4
161.02399	7.1
161.04570	40.4
165.09180	6.1
175.03957	3.1
177.01920	5.2
179.03429	3.0
179.05637	17.3
180.04466	2.1
190.80453	2.5
193.04985	3.8
205.05148	5.1
209.08195	26.8
209.11819	3.8
221.06754	2.7
266.05560	2.2
267.06638	2.7
297.07584	4.2
341.10226	3.1
353.06625	8.1
353.10406	4.7
371.12201	4.0
371.20856	5.0
383.07782	6.9
389.21631	6.1
443.09610	4.7
533.12921	17.0
533.26343	13.6
534.14221	2.3
534.29413	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	533.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25166	0.7
53.31549	0.9
57.03455	65.5
58.00604	1.8
58.03780	2.7
59.01389	100.0
60.01712	2.3
61.01802	1.9
61.98834	1.4
70.41528	0.8
71.01391	31.9
71.32716	0.9
72.99331	2.7
73.02951	6.3
73.04061	0.9
74.03242	0.7
80.91685	1.2
81.03464	1.7
82.95436	1.0
83.01402	4.3
85.02967	10.8
87.00901	1.8
89.02455	31.4
95.01406	2.4
96.96028	1.3
99.00912	1.9
99.04533	73.7
100.04880	4.3
101.02457	34.2
101.04974	2.1
102.02807	1.6
103.02909	1.0
113.02470	14.7
117.03469	1.7
119.03510	12.5
121.02966	1.4
123.04536	1.7
125.02465	32.4
126.02798	1.0
127.02870	1.0
130.08752	0.9
131.03551	2.1
133.02936	0.9
135.04561	2.2
141.98836	0.8
143.03506	5.1
149.04588	1.4
152.63750	0.7
161.02477	3.2
161.04584	7.0
179.05629	7.1
191.03471	0.9
227.16499	1.4
267.06497	1.4
268.07401	1.0
283.06253	1.3
294.05426	0.9
295.06052	2.1
296.06866	1.2
297.07739	7.4
307.06143	0.8
309.07761	1.3
311.05731	2.0
323.05713	2.3
325.07391	4.1
328.06137	1.9
335.05844	0.8
337.07132	1.1
341.10400	2.3
353.06702	11.9
353.10544	3.1
354.06979	1.2
355.08438	1.1
365.06659	2.5
371.17014	2.5
371.20837	2.6
383.07800	9.9
384.08221	1.1
389.17957	2.8
389.22217	10.8
390.22430	1.2
402.78369	0.9
414.01114	0.9
425.08966	1.3
431.23242	4.6
443.09836	7.9
448.74384	0.9
471.26349	0.8
473.10794	3.1
489.26105	1.7
516.25305	1.0
533.13068	38.7
533.25854	7.4
534.13245	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	534.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26115	1.2
52.35595	1.2
57.41539	1.4
59.01383	1.2
66.40831	1.2
69.13915	1.2
70.54709	2.6
74.15791	1.4
78.95913	28.3
80.04122	1.4
132.09888	1.3
138.92082	2.1
140.01204	5.9
152.99612	3.0
172.54359	1.3
186.06036	1.5
196.03783	13.1
197.95796	1.8
214.04834	3.0
227.37315	1.4
253.98387	1.9
279.23325	100.0
280.23645	4.9
337.19281	1.6
393.90790	1.3
413.58948	1.4
476.27859	62.7
477.27893	4.2
534.23615	12.3
550.06940	1.3
554.88239	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	534.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72837	0.2
59.77368	0.2
61.98835	100.0
63.94698	0.3
69.71128	1.0
69.71547	0.5
78.61958	0.3
94.99978	0.3
133.38718	0.3
198.67198	0.2
406.58054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68576	0.4
58.56152	0.4
61.98833	100.0
70.61546	1.3
83.63668	0.4
86.02401	0.5
95.66895	0.5
103.72479	0.4
133.02968	9.2
135.04539	3.9
161.02452	30.1
179.03525	4.3
203.03561	0.9
211.13452	1.0
283.33942	0.5
535.21478	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	534.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61992	1.6
78.95910	27.9
83.22814	1.0
101.16000	1.0
122.00244	1.2
140.01250	6.3
144.16338	1.1
152.99583	1.6
196.03838	14.3
214.04897	2.1
255.23308	100.0
256.23645	5.9
452.27859	51.1
453.28381	4.8
534.27155	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	534.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.04363	1.0
64.04611	1.1
71.01382	3.3
71.02523	1.8
71.32238	2.1
73.04058	1.2
74.02481	1.2
84.04559	3.2
85.02979	1.6
87.00900	1.4
89.02469	2.0
96.00946	1.3
98.02504	1.3
99.04575	1.6
99.27412	1.0
101.02453	3.3
102.05619	18.8
105.03525	1.6
108.02164	1.5
109.02959	9.4
113.02435	2.2
113.07229	1.6
114.05634	1.2
115.00356	2.9
116.05044	6.9
117.03496	2.7
119.05049	1.6
121.02995	4.7
121.03783	1.1
122.03761	3.0
123.04538	1.5
124.01691	2.1
127.05211	1.8
128.03557	100.0
129.03947	2.0
129.10359	18.6
131.05038	1.4
132.02177	1.4
133.02977	9.6
134.03755	1.7
135.04535	17.2
137.02487	1.0
139.03015	1.2
144.11482	4.4
145.02977	8.8
145.09875	2.6
146.03619	2.1
146.04630	19.9
146.06001	2.1
147.04547	8.3
148.05360	1.9
149.02419	1.5
154.02736	1.3
159.04517	4.2
161.02489	2.6
161.06137	4.0
163.04044	2.1
164.07124	6.4
171.07751	2.0
174.05679	2.2
175.04025	1.4
177.01994	2.6
179.03505	15.0
186.03156	1.3
186.12486	1.6
187.04053	2.4
188.10739	1.5
193.01416	1.2
193.05141	2.6
209.04591	2.0
212.17760	2.1
213.05675	2.0
214.08652	1.9
216.12698	1.3
219.06587	1.5
231.11549	1.3
232.09938	2.6
240.17171	2.6
241.05199	4.7
242.05879	25.8
243.06705	7.0
249.12366	1.4
251.07347	1.2
254.05920	2.1
255.06688	3.3
257.08231	31.1
257.12714	5.9
257.19827	11.1
258.18188	6.4
268.07397	1.6
269.08282	4.4
270.09024	5.4
275.10272	1.3
283.09924	2.2
285.11359	30.5
287.43103	1.2
296.06967	3.2
311.09384	6.8
325.09207	2.2
329.10239	6.2
355.08221	3.7
371.11642	1.9
373.09378	9.1
405.25104	36.0
406.25620	3.4
455.15826	1.8
490.30481	3.9
534.29523	63.1
535.14667	9.2
535.29755	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	534.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10595	7.1
51.59409	7.8
60.69904	6.9
61.98820	44.3
69.10064	6.7
70.57293	16.7
78.71639	7.5
78.95905	100.0
81.24749	7.9
83.63371	7.4
94.98074	7.5
115.08118	7.7
116.86920	8.7
120.38172	7.4
135.18182	7.4
143.95480	7.8
152.07971	7.4
152.99562	100.0
179.88200	7.3
188.44939	7.1
196.89459	74.7
197.89539	30.2
253.09329	15.9
255.23271	93.7
433.23749	28.6
534.16534	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	534.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90453	2.3
59.01390	3.4
61.69081	2.8
61.98820	9.2
69.09849	10.6
69.10268	12.5
78.95899	16.8
87.70940	2.5
89.02450	3.4
98.21708	4.3
98.73129	2.6
152.99612	16.7
153.28004	2.7
195.85861	2.5
196.89430	12.2
197.89467	7.9
229.34918	2.8
253.09286	20.5
255.23329	100.0
256.23508	3.7
344.27106	2.8
429.22043	2.7
433.23575	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	535.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
59.44295	1.0
61.98826	1.1
69.32942	5.2
69.33356	2.4
71.01386	2.7
85.02975	1.1
89.02423	1.2
93.03464	2.5
99.04530	1.1
108.02222	2.8
109.02963	51.6
110.03333	2.1
121.02974	22.6
123.04558	1.8
128.03505	2.6
133.02972	2.2
135.04530	6.9
141.76729	1.0
145.02962	3.0
146.03723	3.3
147.04578	2.1
156.45052	1.0
159.04529	4.2
161.02522	5.2
161.06076	4.8
173.06059	1.5
174.03200	2.5
175.04025	4.0
179.03516	1.6
185.02516	1.0
187.04027	22.5
187.07629	2.4
188.04564	1.5
189.05608	2.2
197.06160	2.0
206.02217	1.2
207.06610	1.6
211.02451	1.7
213.05637	1.7
215.07214	2.2
219.06625	11.2
225.05600	4.7
226.06346	11.0
240.04425	1.1
241.05017	2.7
242.05867	13.9
243.06630	100.0
244.07031	4.4
253.05028	1.2
254.05936	1.4
255.06624	3.5
263.05594	4.9
269.08218	4.6
273.74774	1.1
285.11252	2.1
297.07675	21.4
297.10867	1.4
311.09323	4.2
329.10321	65.2
330.10693	4.4
353.10135	1.3
373.09439	3.5
391.20050	1.1
425.10880	1.3
455.23962	1.0
514.18994	1.1
535.14197	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	535.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49979	0.7
57.03441	2.6
59.01389	26.4
61.98820	0.8
66.01217	0.7
66.91660	0.7
69.11220	7.3
69.24664	0.7
70.23421	0.8
71.01038	0.8
71.01397	12.9
72.99321	1.9
80.05056	0.9
83.01386	1.3
85.02967	2.7
89.02461	14.2
89.67762	0.7
95.01389	1.0
99.00898	0.9
99.04520	2.6
100.87153	0.9
101.02453	9.3
102.05595	0.8
104.05089	2.8
106.06628	2.8
108.04556	2.7
109.02961	3.6
113.02466	5.5
119.03519	5.1
125.02492	1.5
127.05154	1.7
128.03571	7.2
132.04572	35.9
133.02957	3.6
134.06137	23.1
135.04552	6.9
143.04657	1.1
144.04689	0.9
147.04482	1.4
148.04059	1.2
150.05597	1.1
152.07199	2.3
158.02548	0.8
158.06133	4.2
159.04488	1.0
160.04068	1.5
161.02461	18.7
163.04065	1.0
174.03166	1.2
175.04010	2.5
176.03566	7.0
179.03535	9.2
180.06705	1.0
187.03989	1.4
188.03482	2.0
190.05069	4.5
193.05067	6.5
207.06554	0.9
219.06673	1.2
235.08807	0.9
242.05806	1.3
243.06612	3.7
251.11852	4.8
255.11400	2.6
270.38559	0.8
279.11441	15.4
280.11667	1.0
285.11542	1.1
291.09888	1.7
295.10886	2.3
297.07956	1.8
297.12326	1.4
306.07724	1.9
307.07993	1.8
314.12393	3.2
323.10486	8.0
329.10309	7.1
337.11798	1.6
341.08835	4.1
373.13147	1.1
376.82449	0.8
435.17969	5.5
459.17792	16.4
460.17859	1.8
475.17212	3.2
503.16791	100.0
504.17136	7.9
517.18036	5.5
535.12628	1.0
535.19397	8.0
535.26849	2.5
536.27411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18630	0.3
57.52632	0.3
58.00588	0.3
59.01382	0.7
61.98838	4.1
68.38972	0.3
71.01379	0.5
73.02950	0.4
89.04012	0.4
90.49902	0.3
98.21784	0.5
105.03497	0.7
117.03515	0.4
123.04556	0.4
127.96966	0.3
132.02153	2.0
133.02966	34.4
134.03354	1.0
135.04538	11.3
136.04813	0.4
149.06111	0.9
161.02454	100.0
162.02789	3.1
175.04005	0.9
177.05562	1.3
179.03506	16.2
197.15439	0.4
203.03479	3.7
211.13383	2.6
216.89600	0.3
221.04573	1.0
222.85855	0.3
225.14963	0.7
253.14342	0.5
284.67908	0.3
286.46869	0.4
309.41086	0.3
319.63998	0.3
340.46756	0.3
477.44547	0.3
535.21729	8.0
536.22681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	63.6
71.01384	39.2
71.31815	6.6
71.32835	4.6
73.02946	6.5
77.84821	4.5
85.02961	6.6
89.02451	100.0
99.00890	9.4
101.02431	37.4
128.03554	14.7
128.47484	5.0
131.03493	20.5
133.79721	6.9
143.04643	10.9
149.04572	74.4
191.05641	14.6
205.05103	6.8
231.69640	5.3
278.46027	4.8
306.07568	10.7
307.07938	16.5
329.13904	7.6
373.12680	14.6
463.21210	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	535.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.8
59.01129	0.7
59.01385	9.0
60.74327	0.6
61.98824	2.1
69.03458	0.8
69.06069	6.0
71.01400	3.6
71.02502	5.8
72.00912	0.9
73.02945	1.2
73.04086	1.1
74.02436	1.4
82.01726	1.7
82.95426	1.3
83.37707	0.6
83.40933	0.6
85.02954	1.9
85.31819	0.6
87.00886	3.0
89.02453	2.0
95.20514	0.6
97.00440	3.3
97.04099	1.3
97.38152	0.6
98.01224	8.6
98.20229	0.6
98.22531	1.3
99.02006	2.7
99.04514	4.1
101.02448	3.0
107.12483	0.6
111.02012	4.7
112.02779	2.4
112.07652	1.4
113.02493	1.4
116.05048	0.8
118.06659	1.1
119.04993	0.7
121.02885	0.8
125.02467	1.1
129.10355	45.9
130.08746	1.0
130.10695	1.0
133.02946	0.7
135.04431	0.7
139.08788	0.8
143.03502	0.8
143.05017	0.7
144.04581	1.0
145.06590	2.7
146.06117	2.6
147.03291	7.1
148.04025	0.9
148.07738	0.7
155.08304	3.4
156.05856	0.7
158.06128	0.9
159.04411	1.2
159.08173	1.4
160.04047	2.5
160.07658	1.6
161.02478	0.7
161.04593	1.0
163.03935	0.6
163.08733	1.3
169.06540	0.9
171.08182	8.7
172.04030	1.8
173.04765	1.2
173.06018	1.5
173.07330	0.9
174.05652	0.6
183.04398	0.6
185.06076	2.4
186.05638	1.1
186.09203	3.5
188.07184	1.7
188.10828	0.8
189.06706	67.1
189.10297	2.3
190.06998	2.2
200.07237	0.8
201.05383	0.6
202.08855	0.7
203.08292	1.4
205.09813	2.6
214.08716	1.8
215.07138	1.7
229.09792	1.0
242.08232	2.3
247.07220	0.9
257.09442	0.7
270.10031	2.0
301.19321	3.1
317.16693	0.7
318.14883	3.4
318.18262	5.9
320.11679	1.2
344.19778	0.8
345.18246	5.1
349.15604	2.2
354.89227	0.6
361.15573	18.0
362.15582	0.8
373.22162	0.8
378.18359	0.8
393.14645	1.6
405.14563	15.7
406.15021	1.4
411.24179	0.8
448.26520	1.4
455.22595	0.8
491.26678	25.3
492.26926	2.8
535.25525	100.0
536.25854	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	535.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95920	2.1
69.25157	4.1
71.01352	0.5
76.56738	0.5
80.91689	1.7
82.95428	100.0
83.02529	2.6
85.07894	0.4
98.30183	0.5
114.76417	0.5
159.04485	0.5
236.33270	0.6
260.10272	0.5
267.19049	0.5
284.57370	0.5
329.14078	2.1
333.34143	0.6
411.26151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20555	2.5
78.95904	28.3
87.23207	2.9
140.01253	3.4
152.99550	4.8
196.03792	3.2
224.06879	5.5
230.02087	3.6
239.28473	3.0
253.21730	100.0
254.21971	3.4
279.23352	40.4
280.23584	40.9
281.23889	3.4
368.53729	3.2
476.28113	3.6
477.27945	16.9
478.29373	57.9
479.29721	3.7
535.23889	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	535.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	7.5
65.80121	3.2
68.86296	3.2
69.26148	26.6
78.95910	10.2
81.19273	3.1
140.14536	2.9
152.99606	8.1
164.16321	3.8
211.64668	2.9
253.21742	100.0
254.22093	8.8
354.28580	3.7
359.63864	3.6
478.29379	36.7
535.32062	4.7
558.96985	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	535.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38972	2.4
61.98825	8.7
70.04315	3.4
70.57169	6.8
70.57509	3.0
78.95912	15.3
113.16082	2.5
145.54913	2.9
152.99634	4.9
163.64725	3.1
224.06943	5.5
253.21756	100.0
254.22061	6.4
260.37494	3.4
262.31616	3.2
307.84854	2.6
437.22528	2.8
461.39319	3.7
478.29471	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19921	1.5
59.01388	3.1
59.86149	1.5
61.98835	100.0
70.94707	4.4
71.01382	2.4
90.86811	1.7
107.15192	1.7
113.02485	2.2
127.15948	1.9
133.02974	4.5
135.04581	3.1
138.30251	1.7
151.93024	1.5
161.02448	11.8
162.02771	5.1
173.20349	1.6
223.33080	1.7
249.18703	3.9
267.19608	18.5
275.16574	2.2
293.17590	8.9
306.26093	1.9
311.18674	25.9
312.19095	2.4
323.07834	3.9
324.08154	5.2
440.18515	2.1
473.24216	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	536.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51342	0.3
57.06240	0.3
59.01376	0.2
61.98837	100.0
98.21716	0.5
99.03429	0.3
130.16449	0.3
142.65933	0.3
161.02441	0.7
166.06528	0.3
186.73642	0.3
298.03940	0.3
331.17819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39861	0.3
59.00731	0.3
59.01381	0.3
61.98834	100.0
64.23283	0.3
69.70960	0.5
69.71364	1.8
82.69814	0.3
97.59977	0.3
107.13762	0.3
133.03038	0.4
161.02486	1.2
162.02802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43826	0.7
57.03451	0.8
59.01377	1.8
70.02973	2.3
71.01395	1.5
71.02515	1.1
73.04075	1.5
74.02490	1.2
82.02995	2.1
83.02515	1.2
84.00915	0.9
84.08205	1.0
85.86861	0.7
87.05646	2.5
93.03473	1.9
95.02487	1.7
96.00922	30.9
97.07684	1.4
98.02491	27.9
101.70931	1.0
109.03001	2.1
110.02487	5.6
110.03242	1.4
111.02032	1.9
112.02840	1.2
113.03587	18.2
119.05042	29.7
123.04147	1.1
127.05148	4.8
127.08764	2.8
128.03545	2.0
130.08752	58.8
131.04620	7.6
131.09065	1.2
133.02977	1.0
135.04538	2.3
140.07210	1.2
143.11934	0.9
145.02972	1.5
147.04570	1.6
153.03070	1.4
154.02908	0.8
154.09906	1.7
155.08209	1.1
162.05606	3.0
166.06183	5.8
168.09149	1.4
169.09856	1.9
170.09355	6.4
174.89276	0.9
177.01926	2.0
179.08244	1.1
184.07292	5.2
184.10913	2.7
195.14986	1.0
200.14101	1.5
210.16196	1.2
210.82690	1.0
211.09862	1.6
212.17703	4.1
214.19237	5.7
216.06644	0.9
222.12436	1.4
229.13455	1.4
238.15637	4.8
240.17216	4.6
241.87579	0.9
242.05829	1.2
243.06349	2.6
244.07089	1.3
252.17239	1.4
258.18253	12.4
259.07111	1.2
259.18588	1.0
271.09540	0.9
273.12457	1.9
284.16367	2.4
285.11313	3.4
286.11658	6.4
326.14731	0.9
330.10672	2.2
347.69254	0.8
351.20392	1.9
387.16513	1.1
395.19440	2.8
404.21844	1.2
439.38870	0.9
457.24463	1.2
501.23621	100.0
502.23972	8.0
518.25952	20.8
519.25702	3.9
536.14948	2.1
536.26917	16.2
540.58832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1043
Annotation	Salvianolic acid H
Peak:m/z	Relative Intensity
59.01384	1.5
70.05579	0.7
77.03963	0.8
89.02449	1.2
95.05048	2.3
96.00925	0.7
96.96021	2.6
105.03458	6.9
107.04986	0.8
109.02965	14.1
117.03484	0.8
119.05008	0.7
127.05148	1.0
128.03557	2.1
130.08742	1.6
133.02977	27.3
134.03700	2.8
135.04541	100.0
136.01624	0.8
136.04875	3.5
145.02982	1.0
147.04562	1.1
149.04900	1.4
149.06090	23.4
149.07251	1.4
150.06520	0.8
151.04002	1.5
159.04553	4.4
161.02493	1.0
161.06134	6.9
167.03862	1.9
175.04120	1.0
177.01967	9.8
178.02368	0.8
179.03513	69.3
180.03873	2.7
180.09944	0.7
195.02998	0.8
205.05067	1.2
219.03209	0.9
255.06607	5.6
269.08258	2.9
271.09747	7.1
297.11542	0.9
313.07327	1.2
315.08743	6.0
327.12476	0.9
353.48264	0.8
359.07751	5.2
369.65289	0.8
502.23587	1.2
532.53815	0.9
537.23657	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	537.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26737	0.5
58.78217	0.8
59.01385	0.6
61.98831	4.7
65.48753	0.5
70.53135	1.6
70.82951	0.4
81.47157	0.4
83.35681	0.5
87.94644	0.5
89.02453	0.6
102.56279	0.5
104.38842	0.4
112.53772	0.4
113.41272	0.5
117.03490	1.1
132.02191	0.7
133.02965	15.4
134.03723	2.1
135.04541	20.4
137.02435	0.8
148.05367	1.0
154.29237	0.5
157.24382	0.4
161.02458	100.0
162.02762	2.6
174.34212	0.5
179.03520	8.9
183.13930	1.5
195.13918	1.6
196.92278	0.5
202.10182	0.5
213.15002	7.3
357.17111	9.4
358.17783	0.6
369.44275	0.5
375.18152	69.4
376.18503	5.4
389.19125	0.5
417.19418	0.8
518.75708	0.5
537.23645	3.4
537.30688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.85984	0.4
61.98825	1.3
71.01382	0.7
71.04270	0.7
73.02934	0.8
75.42992	0.4
115.01944	0.6
117.03404	0.4
132.02209	1.7
133.02968	31.7
134.03232	0.8
135.04532	11.0
149.06094	0.7
161.02455	100.0
162.02805	2.8
167.14374	0.5
175.03983	1.0
177.05614	1.1
179.03508	17.9
180.03775	0.5
203.03514	3.3
210.40517	0.3
213.14996	1.5
221.04521	1.2
227.16656	0.5
300.99966	0.4
303.92120	0.4
315.25293	0.4
375.18173	0.6
430.80212	0.4
537.23383	9.4
537.31067	0.6
538.23749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	48.2
58.03778	0.5
59.01388	27.1
60.97036	0.4
60.99299	0.7
61.98838	25.7
66.94743	0.4
69.12844	1.4
69.13267	2.8
71.01395	3.6
73.02943	2.3
80.41508	0.4
81.03485	1.1
83.01395	0.9
85.02963	3.2
87.00867	2.1
88.98818	2.8
89.02445	0.9
99.00878	0.7
99.04533	38.1
101.02462	12.0
103.04026	100.0
104.04372	1.2
113.02474	1.4
117.03456	1.6
119.04929	0.5
125.02466	17.3
126.02863	0.4
135.04570	0.8
143.03540	1.2
145.02974	3.7
145.12366	0.9
161.04533	1.0
163.04073	0.4
175.04137	0.6
221.03201	0.4
255.46002	0.4
289.16562	0.8
305.61450	0.5
307.17767	1.2
318.53741	0.4
337.09256	1.0
349.18723	0.8
375.20212	0.7
376.28659	1.3
393.21283	0.6
435.22040	0.5
493.26584	0.6
501.14017	1.0
537.25568	4.4
537.32776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03461	4.0
57.94302	0.9
58.00594	1.4
59.01386	24.3
61.98840	6.6
67.95786	0.7
69.35621	6.0
71.01395	19.8
71.75253	0.8
72.99311	1.9
73.02948	7.7
79.95757	1.8
80.96519	7.0
83.01401	5.1
85.02963	13.0
86.00101	1.4
87.00887	100.0
87.04498	1.8
88.01220	1.4
89.02452	3.2
94.98106	1.5
95.01389	1.7
96.91493	0.8
97.02986	1.0
98.22476	1.8
99.00896	3.5
99.04530	2.1
101.02451	15.5
111.00903	0.9
113.02473	8.6
119.03490	1.2
121.02921	0.8
122.06120	0.9
125.02455	2.5
130.99901	3.9
135.04527	4.5
136.43527	0.7
152.98639	1.2
159.03038	1.0
161.02460	1.7
161.04588	2.5
164.98660	1.3
177.90579	0.7
179.03473	1.6
190.02788	1.4
205.05095	0.9
225.00784	3.4
269.21295	4.3
287.22278	0.8
296.11136	0.9
315.25122	0.9
343.14328	0.9
403.26959	8.2
404.27399	1.1
413.25525	15.5
415.23434	0.9
420.12762	0.9
431.26547	5.1
433.24490	7.5
449.27679	1.8
457.24466	27.6
457.30893	1.5
458.25012	2.0
461.19019	2.5
475.25534	4.8
477.30441	2.0
505.17941	1.5
511.18777	5.0
519.24756	4.0
537.25531	61.3
537.32965	22.5
538.19104	10.8
538.27240	4.4
538.33441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	50.6
61.98838	93.2
63.22664	8.8
69.17358	18.3
69.17767	60.9
71.01398	51.0
82.21704	8.8
85.02967	10.3
89.02456	93.8
96.75505	7.6
99.00883	16.8
101.02448	31.0
108.02198	20.5
113.02446	16.1
113.63120	7.7
119.03510	13.9
147.39041	7.0
147.70287	8.4
149.04575	17.5
149.82820	7.1
179.05565	12.1
186.75298	9.6
200.09523	8.5
322.85559	7.8
345.19211	13.8
375.13913	11.7
376.24927	29.1
402.81067	9.6
477.23422	100.0
506.15082	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	537.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90580	0.7
61.98832	10.4
70.79422	1.4
70.79747	0.7
78.95906	18.0
96.59020	0.8
134.85089	0.8
140.01109	0.7
152.99570	7.8
165.78513	0.6
168.04269	2.1
196.03845	1.4
199.83411	0.7
224.06894	6.5
242.08049	1.1
255.23302	100.0
256.23712	5.2
442.82358	0.7
452.27832	7.1
453.27786	1.1
480.30981	56.9
481.31366	5.0
537.25513	2.9
537.33002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	14.4
70.63587	8.4
71.01259	2.3
78.95925	9.1
95.81240	2.3
107.47347	2.8
115.53458	2.6
152.99559	5.7
239.57965	2.5
255.23311	100.0
299.60846	3.1
452.28043	4.1
480.31152	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
61.98812	5.5
69.82995	30.1
71.01368	7.7
75.42424	5.0
81.03479	7.3
97.02966	55.4
103.57910	5.5
113.02454	11.4
125.02461	100.0
128.03540	9.2
134.02496	11.0
135.04660	7.4
141.01959	13.0
152.03508	5.4
155.11902	8.8
161.02454	21.8
162.59938	4.6
169.01442	16.5
179.03549	16.8
191.76918	4.9
192.90302	5.1
196.02554	16.0
289.33856	5.4
304.06158	12.5
348.97159	10.9
441.06946	6.4
562.86194	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	538.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72054	2.0
59.01393	2.7
69.03461	4.0
69.92551	8.2
69.92899	3.8
75.48379	2.2
79.14362	2.0
81.03477	8.5
97.02959	51.4
109.02964	4.1
113.02444	3.3
125.02459	100.0
125.93797	2.2
133.02997	3.5
135.04602	2.8
137.63077	2.0
141.01993	14.7
150.55656	1.9
152.03540	3.4
161.02478	13.6
161.04585	2.5
169.01430	17.1
179.03523	2.6
196.02608	15.8
286.49667	2.6
341.08838	3.0
347.00461	3.0
416.19171	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	538.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
59.01385	26.2
61.98821	2.1
64.01942	2.7
66.03496	5.6
69.03459	41.4
69.63506	8.4
71.01387	40.7
72.99300	1.9
73.02953	3.0
80.58514	1.6
81.03461	4.7
83.01394	5.2
83.99405	1.4
85.02953	21.0
87.00869	2.2
89.02449	19.3
90.03509	2.2
95.01389	11.7
97.02969	11.3
98.22482	2.3
99.00898	5.1
101.02440	16.6
108.04562	43.2
110.02509	4.3
113.02457	100.0
115.64507	1.5
117.00477	1.9
119.03483	7.9
125.02456	63.8
125.99613	1.9
126.05602	2.1
126.98914	1.6
127.00401	2.3
127.02630	1.6
128.03552	1.9
133.02950	1.8
133.04037	1.5
134.02493	66.2
135.04544	1.8
136.00400	4.0
137.02440	2.2
139.00391	3.1
141.00543	1.5
143.03535	4.1
150.04260	2.0
152.03532	23.1
153.00575	4.1
155.02020	2.1
157.01422	14.1
161.02411	4.0
161.04561	26.5
164.02121	1.8
165.00386	2.0
175.02490	1.7
179.01950	1.9
179.03561	2.7
179.05627	5.9
183.01555	2.4
185.01352	2.0
188.05658	4.8
192.01514	3.5
195.01462	2.2
195.05316	1.8
196.95752	1.5
198.99400	1.6
201.02626	1.7
214.97273	2.0
215.61473	1.7
217.00426	3.2
218.06757	5.2
235.01283	2.6
235.24422	1.4
236.12201	1.6
248.01030	1.6
256.98404	2.0
261.02524	1.8
267.00485	3.6
279.00195	3.8
280.98380	3.0
282.99631	1.6
291.00000	1.7
294.99969	3.7
304.06171	2.9
304.98318	2.9
306.96271	2.3
306.99744	2.3
309.04587	2.0
318.99799	2.4
320.97873	4.0
321.01245	2.9
322.99396	10.3
323.09882	5.6
323.99661	2.0
332.97958	2.3
336.05823	4.3
338.98856	2.9
346.99670	3.2
348.97244	13.7
349.00842	2.4
350.98654	2.0
360.97537	2.6
362.98923	4.6
366.98206	3.3
374.98901	3.3
375.98328	5.3
380.04825	3.1
380.06961	1.9
380.11951	27.5
390.98434	3.6
393.00095	2.6
420.98831	2.1
434.12976	2.6
440.06555	7.5
451.00375	12.8
476.14108	13.1
478.01392	3.3
478.11911	6.7
494.04819	2.8
494.15421	8.2
503.13779	2.2
538.03802	19.1
538.14105	74.1
539.04022	2.9
539.15216	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	538.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67920	0.4
61.98833	100.0
71.27367	0.4
78.72066	0.3
97.51928	0.4
101.25240	0.4
108.02175	1.8
165.82173	0.3
229.21625	0.4
289.18155	0.4
376.25043	2.3
545.12689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92494	0.7
61.98836	100.0
67.17369	0.6
70.57978	1.8
70.58306	0.7
125.87274	1.1
133.02991	1.0
135.04553	0.8
157.86363	2.0
159.86137	1.4
161.02466	5.7
162.02849	2.8
182.90837	0.7
231.17163	0.8
238.31844	0.7
358.17618	1.1
373.70233	0.7
375.18176	2.0
376.18677	3.2
544.25421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69814	0.9
59.01381	2.4
69.18613	8.2
71.01387	4.3
74.02481	1.5
76.04416	0.8
85.02967	3.9
88.65398	0.9
89.02494	1.3
98.21789	1.8
101.02436	2.0
109.02943	2.2
113.02461	5.9
123.04540	1.3
129.10374	1.0
132.02161	1.8
133.01932	1.4
133.02966	28.6
135.04544	26.1
136.78027	1.0
137.02457	1.3
139.03925	1.0
149.06044	2.8
151.03873	1.1
161.02464	100.0
162.02835	2.8
177.01953	2.2
177.05557	1.6
179.03517	24.4
180.03847	1.5
202.62189	1.1
203.03365	1.2
214.10104	1.1
219.94537	1.0
242.05843	1.4
245.04559	3.7
271.09711	1.8
290.75879	1.1
305.06573	1.5
323.07651	2.5
359.07828	2.2
377.08752	2.5
503.14127	27.0
504.14243	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	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	26.0
59.01381	18.7
61.98835	100.0
70.75729	3.4
71.01395	9.2
73.02946	5.9
76.41671	1.8
77.87586	1.7
83.01408	3.2
85.02982	2.3
89.02473	3.0
90.86381	1.7
99.04523	29.4
101.02453	16.8
113.02461	6.8
114.60667	1.7
119.03522	3.3
123.04557	7.9
125.02467	15.6
131.03471	1.9
149.04573	3.5
161.04582	6.6
164.45598	1.6
221.06590	3.4
252.63770	1.6
257.40128	1.8
288.85526	1.8
299.87015	2.0
314.47458	1.7
433.58618	1.7
477.23416	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	540.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60241	0.3
55.73621	0.3
57.03452	0.4
59.01368	0.5
61.98834	100.0
63.97205	0.3
69.13484	3.7
74.10745	0.4
77.10225	0.4
99.04548	0.5
109.80345	0.3
125.65786	0.4
237.48421	0.4
381.41928	0.4
502.86392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75335	0.4
54.98735	0.4
57.14594	0.5
61.98837	100.0
67.59441	0.4
69.07426	4.8
78.95929	0.7
80.10966	0.4
84.77465	0.5
100.06709	0.5
119.77908	0.4
123.60596	0.4
215.27553	0.4
254.80209	0.5
294.79156	0.5
295.14426	0.5
378.26407	0.6
399.91415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
58.42125	0.8
58.98032	0.7
59.01373	2.5
61.98833	100.0
71.01398	1.0
71.32961	0.8
89.02412	0.9
96.95995	0.9
99.04517	1.8
377.28799	1.4
378.29416	1.1
429.01758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	38.2
59.01376	31.0
61.98811	5.6
71.01387	28.7
71.33257	2.9
73.02949	9.7
73.04060	3.4
81.03471	4.3
83.01381	6.0
83.05021	1.9
85.02940	7.2
87.00854	5.3
88.04021	4.4
88.98835	5.9
89.02449	18.4
93.70193	1.7
96.00916	2.6
99.00864	4.5
99.04525	45.2
101.02447	32.1
109.02917	2.8
113.02453	7.6
114.96363	1.8
116.07170	2.1
119.03501	5.9
123.04523	5.8
125.02454	42.5
127.05193	2.9
128.03560	5.8
130.08722	3.0
131.03549	2.9
135.04544	5.2
143.03526	2.5
147.08174	5.2
149.04543	7.7
151.07661	15.9
161.02454	4.2
161.04578	7.2
161.06078	5.2
163.07634	7.6
165.09171	2.0
173.06035	4.2
175.07668	5.5
177.09209	4.6
179.05699	3.4
179.10742	2.2
189.09209	9.4
190.05554	2.0
201.05533	4.4
202.06351	5.8
205.05103	6.4
207.10268	3.1
217.08694	69.1
218.09097	2.7
219.06645	4.2
220.07382	3.8
235.09755	100.0
236.10019	5.6
289.10562	3.2
349.18665	3.4
379.13812	3.5
397.14984	17.4
439.16187	3.0
481.23083	13.6
500.80551	2.0
541.19324	4.4
541.33862	9.3
542.32086	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	541.2062
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
59.01383	21.8
62.77727	9.3
69.03120	12.1
69.03522	87.5
70.86668	7.9
71.01382	14.4
89.02444	25.9
101.02447	20.8
113.02454	11.0
119.03481	11.9
158.03723	11.3
165.05614	11.3
176.77831	8.7
179.05612	61.1
284.22443	10.5
294.09006	15.5
295.09723	34.9
309.07700	11.0
310.08569	16.3
313.10852	15.8
325.10849	97.8
343.11829	21.7
453.97415	10.1
475.16373	21.5
487.16199	16.5
505.17175	37.0
541.20654	100.0
542.20337	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	541.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	14.6
69.05836	2.5
69.06262	2.0
79.51320	0.4
82.38476	0.4
87.00866	2.6
88.00420	1.6
88.01208	0.8
88.98810	100.0
89.02448	22.1
89.99139	0.6
92.67587	0.5
109.34226	0.5
149.18112	0.5
243.47272	0.4
334.93625	0.5
514.60828	0.5
527.93567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34906	1.1
71.10985	2.3
72.39061	1.2
78.95908	84.7
85.90656	1.3
96.96980	4.6
104.03565	2.2
104.47398	1.1
116.53424	1.2
118.95171	1.7
143.31924	1.3
150.98029	2.1
152.99600	100.0
174.97815	2.0
190.55380	1.3
192.98865	4.7
205.98347	4.7
229.63602	1.4
262.01028	8.9
279.23346	4.0
280.02075	7.0
455.21744	9.3
542.25049	39.7
543.25128	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	543.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46213	1.4
57.03452	71.1
58.00594	2.6
59.01385	100.0
61.98839	3.7
69.03461	2.1
69.04954	3.3
69.05373	12.7
71.01389	51.0
72.01720	1.3
72.99320	3.3
73.02950	48.9
75.00884	2.1
79.05545	3.3
81.03471	5.1
83.01395	12.5
85.02945	9.6
89.02451	40.1
93.57612	1.5
95.01434	3.4
95.05039	1.6
97.02967	1.7
97.06591	2.4
98.21745	2.9
99.04527	60.0
100.04895	1.8
101.02448	78.6
107.18697	1.3
113.02464	29.9
113.06093	4.9
119.03514	21.4
123.04539	19.4
123.50352	1.3
124.23920	1.4
125.02461	50.3
130.08702	1.5
131.03510	5.8
137.06056	1.6
141.05634	3.6
143.03500	11.7
149.04584	6.9
153.05614	2.3
161.04568	22.3
161.06096	19.0
173.09776	1.3
175.11244	1.4
177.09200	3.7
179.05641	11.8
179.10735	2.9
181.26093	1.6
186.06761	1.5
201.09253	2.5
203.07266	1.7
204.07899	5.0
219.10278	15.4
221.06552	1.8
263.07675	1.8
327.21307	1.6
381.15485	3.1
399.16641	13.2
432.70099	1.6
441.17484	3.1
543.20813	12.3
543.28442	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	543.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93450	2.4
57.03181	4.9
57.03453	94.1
59.01385	100.0
67.41662	2.3
69.05215	9.7
69.05630	20.7
71.01389	53.2
72.50346	2.8
73.02956	27.6
73.64404	2.8
75.00898	15.8
81.03472	4.0
83.01398	8.1
85.02967	18.2
87.00861	7.5
89.02453	22.5
93.83036	2.4
96.02897	2.4
99.04530	94.2
101.02451	63.6
113.02438	16.7
113.06073	3.7
119.03493	9.7
119.08647	2.6
123.04507	8.1
125.02456	78.6
129.01941	7.7
137.06087	3.4
143.03519	6.1
149.04619	3.4
149.09714	5.4
153.09198	4.7
161.04538	18.4
161.05959	6.0
161.09729	66.8
162.10109	2.7
164.08342	2.9
165.09248	16.8
173.09763	9.4
175.11322	4.4
177.09238	8.4
179.05640	5.3
179.10785	11.2
185.06023	2.9
189.09184	5.6
191.10791	8.0
201.09273	22.9
204.07942	5.5
219.05130	8.9
219.10265	63.1
235.08206	19.7
237.06245	4.6
237.11342	63.0
238.11952	3.1
261.11044	3.2
277.09192	8.9
363.14401	3.2
381.15585	69.7
382.15912	6.5
399.16672	56.1
400.16989	3.1
419.17191	2.8
423.10843	3.5
423.16617	59.7
424.17050	6.0
441.17435	21.3
460.99765	2.9
463.19754	12.1
481.21149	3.2
543.20813	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	543.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01738	15.3
59.01366	58.7
69.51684	100.0
75.00878	45.1
78.95914	48.3
98.22483	32.8
103.00352	18.5
103.01469	24.2
133.01570	15.8
139.23590	15.5
152.99557	31.8
221.51396	20.0
251.42334	15.6
448.65179	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.4
59.01385	8.6
61.98824	1.5
65.96500	0.4
68.99821	0.4
69.09441	3.5
71.01389	7.1
72.52752	0.3
73.02940	1.6
79.01882	0.3
81.03474	0.9
82.01765	0.3
83.01414	0.5
85.02970	2.4
87.00891	0.6
89.02457	3.5
89.03987	2.6
93.03462	1.3
94.48944	0.4
95.01406	1.2
99.00880	0.8
99.04530	4.8
101.02463	4.3
104.02676	0.4
105.03472	3.6
113.02460	6.1
116.78685	0.4
117.03499	2.1
119.03500	1.5
119.05021	0.7
121.02966	1.0
123.04543	0.9
125.02469	3.1
128.03578	0.4
131.03539	0.5
133.01936	0.5
133.02974	10.9
133.06584	0.4
135.04509	1.3
137.06171	0.6
137.09737	1.5
143.03500	1.1
145.03027	0.5
148.01633	0.6
149.02480	3.0
151.03944	0.5
151.07632	0.5
161.02501	1.9
161.04562	3.1
161.09743	1.2
163.03996	0.5
164.04787	1.0
165.09158	0.5
175.04086	0.7
176.01184	1.2
177.01952	100.0
178.02293	2.7
179.03488	0.7
179.05582	1.3
179.10765	0.9
189.01993	0.6
190.02715	0.4
191.03519	0.6
193.12407	0.9
203.03496	0.5
203.10838	2.3
206.09485	1.0
207.03008	1.1
221.11868	10.9
223.06151	1.0
237.04005	0.4
239.13026	0.9
249.04111	0.4
267.06638	0.7
281.04553	0.5
282.05283	0.9
283.06140	3.3
295.06070	2.8
296.06952	1.1
297.07718	4.8
307.06137	0.7
309.04358	0.5
309.07809	0.8
311.05618	3.2
322.05096	0.5
323.05661	2.4
323.09503	0.8
324.05896	0.4
325.07220	1.7
328.05960	0.7
335.05740	1.3
337.07227	0.7
339.07431	4.7
341.06726	1.4
351.05212	1.5
353.06674	7.8
354.07257	0.6
365.06842	0.7
369.06140	4.9
381.06262	1.4
383.07666	3.0
383.17346	0.8
399.07281	3.1
401.18027	2.5
425.08942	1.4
429.08270	0.8
441.08438	1.2
443.09924	4.8
443.19275	0.9
444.10608	0.5
455.09848	1.9
457.07816	1.0
459.09332	7.7
460.10144	0.9
501.34695	0.5
545.13165	27.4
545.21991	1.6
546.13525	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	545.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03186	2.0
57.03453	38.3
58.00586	1.9
59.01382	100.0
61.00377	0.8
61.98822	3.5
63.91333	0.8
69.03466	2.0
71.01385	49.0
72.01701	1.0
72.99299	2.0
73.02950	14.9
74.02446	1.3
75.00865	1.0
76.49077	0.8
79.09476	0.9
81.03458	1.8
83.01384	6.9
83.05019	1.9
85.02951	10.4
86.00115	1.9
87.00875	10.8
87.54542	0.9
89.02449	22.2
95.01402	3.5
96.96040	1.3
97.06610	3.9
99.00859	2.6
99.04524	36.8
101.02449	36.3
102.02760	0.9
107.05036	7.6
109.06597	1.5
113.02458	16.6
113.06095	2.1
113.61521	0.8
115.00382	11.9
117.03458	5.5
119.03533	8.9
120.05791	1.4
123.04530	4.7
125.02457	20.2
125.03356	1.9
127.07630	1.0
128.03551	1.3
129.01930	1.0
131.03523	1.8
133.01431	8.0
135.04518	3.0
135.08211	0.8
135.49545	0.9
137.09726	1.7
141.05574	2.5
143.03514	4.3
149.04582	1.6
152.04677	1.0
153.05482	0.9
153.09102	0.9
159.02928	1.0
159.08151	1.6
161.02431	2.4
161.04561	13.2
161.09715	7.3
161.13377	3.3
163.11290	3.1
165.09166	1.0
173.02426	1.3
173.08167	4.6
177.12851	2.4
179.05629	6.2
179.10820	3.3
187.11298	8.5
189.01898	1.2
189.09152	3.5
203.10767	6.8
205.12396	7.1
207.10378	4.4
221.06776	1.4
221.11813	11.7
223.13402	49.2
224.13795	1.9
229.12328	1.3
235.79219	0.8
239.12889	3.1
244.44206	0.9
249.11388	7.5
263.11264	2.5
264.11749	1.0
267.12378	91.8
268.12598	4.2
283.06195	1.0
291.12656	1.1
293.04535	1.0
295.05988	1.4
298.66437	0.9
305.04733	2.0
306.05191	1.1
307.06210	2.4
309.13510	2.0
335.05508	6.2
345.46628	0.8
353.06622	1.5
365.06683	3.2
365.16040	1.1
369.06403	1.6
383.17041	3.8
385.68921	1.0
395.08279	0.9
401.18188	13.3
402.18710	1.1
425.02936	1.5
425.08762	30.8
426.09137	2.1
429.17639	37.7
430.17972	2.0
443.10092	1.2
443.19009	5.7
455.09686	3.3
483.22168	1.8
545.12946	20.7
545.22180	8.8
546.13513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83297	2.5
57.03454	100.0
58.03806	3.3
59.01388	61.2
69.00629	18.9
69.01048	11.9
71.01389	32.9
73.02953	11.5
81.03458	3.9
83.01396	5.8
85.02980	10.7
89.02441	12.5
92.70194	2.5
97.02888	2.7
99.04534	95.8
101.02449	40.1
113.02475	18.7
114.02837	2.7
119.03487	6.3
121.06562	2.8
124.05323	9.1
125.02467	48.7
133.06660	3.0
137.06116	4.1
138.92772	2.4
139.07669	56.6
143.03529	6.6
149.09760	4.2
151.07640	7.1
161.04614	19.3
168.07936	24.1
179.10759	5.0
191.10812	33.3
203.10747	4.8
209.11803	5.4
219.10667	2.8
221.11758	14.2
239.12895	26.4
240.13278	2.8
290.79568	2.7
337.37997	2.8
353.16263	4.7
373.01773	2.5
383.17200	38.8
384.17102	3.5
401.18167	44.1
402.18414	4.2
443.19266	9.9
541.68579	2.6
545.22272	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	545.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74091	2.2
57.03180	4.0
57.03452	63.5
59.01385	100.0
61.98824	6.6
62.13621	2.5
69.75157	10.3
71.01385	51.8
73.02950	27.8
81.03455	4.7
83.01385	10.1
85.02961	14.8
87.00861	2.9
89.02450	44.6
99.04531	75.0
101.02456	66.7
113.02449	23.9
113.06087	4.5
119.03535	21.8
123.04533	12.0
125.02454	50.6
131.03522	7.7
141.05626	3.0
143.03499	9.5
149.04581	4.6
151.07567	3.4
161.04614	17.6
179.05605	19.3
179.10768	8.0
203.10851	12.7
206.09503	6.6
221.06700	3.1
221.11829	26.5
225.02959	3.2
258.76303	2.4
263.12784	3.0
383.17139	11.1
401.18097	33.1
425.08829	8.4
443.19165	4.3
545.13940	5.7
545.22302	45.2
546.22290	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	545.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	89.5
58.00596	2.2
59.01380	100.0
61.98816	2.1
69.03463	10.5
69.04150	15.1
71.01385	55.2
72.99299	2.8
73.02952	34.6
75.05889	1.6
81.03471	5.5
82.82317	1.9
83.01388	12.2
85.02959	10.2
87.00886	5.3
89.02445	45.1
95.01408	1.9
97.02962	3.0
99.00858	2.3
99.04523	79.9
101.02449	66.7
109.06577	2.6
113.02450	22.7
113.06093	2.8
119.03524	19.6
123.04543	13.6
123.08154	2.2
125.02457	58.6
125.81844	1.9
126.02811	2.0
131.03499	8.3
133.06625	3.6
141.05560	2.2
143.03508	8.7
149.04486	4.8
149.09706	6.2
151.07632	5.3
151.11249	3.6
153.05479	2.3
153.09230	2.1
159.08093	1.7
161.04544	17.7
161.09738	5.6
163.07729	2.3
164.08458	2.0
165.09227	7.3
173.09685	3.9
175.11331	5.5
177.09183	3.2
177.12872	5.8
179.05611	12.9
179.06944	1.7
179.10777	64.1
179.63548	1.8
180.11201	3.3
188.08389	2.5
191.10797	3.7
203.05527	2.5
203.10779	24.7
221.06747	13.9
221.11826	41.6
222.12282	2.3
239.12860	2.7
263.07755	5.2
314.29367	1.8
329.40909	1.9
383.17014	15.1
401.18222	43.6
401.23447	2.2
402.18790	2.3
423.64886	2.0
425.08630	2.2
443.19373	10.2
483.22116	3.1
545.22412	34.7
563.12463	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	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83070	1.5
57.03453	83.9
59.01384	65.2
69.12420	13.3
71.01390	28.0
73.02957	13.4
81.03464	3.3
83.01405	4.9
85.02936	8.5
87.00840	2.1
89.02457	9.9
95.01411	2.0
95.05085	1.9
99.00863	4.0
99.04530	100.0
101.02450	35.9
111.04570	1.6
113.02447	15.3
115.76797	1.5
119.03527	4.3
121.06670	1.7
123.04575	2.3
124.05307	5.4
125.01539	2.7
125.02459	47.9
125.09753	2.0
135.08226	1.4
137.06116	3.4
137.09685	3.0
139.07657	41.6
143.03514	6.9
149.09746	4.4
151.07651	3.0
152.55000	1.5
159.02969	1.7
161.04596	19.7
163.07600	2.8
165.09218	9.9
167.10789	5.2
168.07936	19.2
173.09723	2.4
176.08447	3.8
176.59395	1.6
179.10789	3.0
191.10794	32.5
195.10283	4.1
203.05696	3.9
203.10754	6.1
209.11804	11.0
210.57945	1.6
221.11826	18.3
231.04472	2.0
239.12904	24.2
250.69595	1.5
322.85947	1.9
334.12405	1.9
353.15933	3.3
371.17212	2.7
383.17087	30.1
401.18192	32.7
402.18512	2.9
443.19168	7.6
483.22791	3.2
501.23828	3.2
545.22357	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27194	3.0
55.81165	3.3
57.03450	100.0
57.47884	3.5
59.01382	75.8
61.98837	8.5
70.07629	14.8
71.01379	25.2
73.02947	5.9
77.13145	4.2
83.36296	3.6
85.02973	7.7
87.00897	9.8
89.02455	7.4
96.96051	5.8
99.04525	82.6
101.02443	36.7
108.04533	4.2
113.02458	7.2
113.56817	3.1
125.02472	34.3
161.04504	7.6
174.16911	3.1
239.12820	6.6
267.17065	3.7
401.18317	5.2
411.61185	3.9
443.87137	3.6
489.63779	3.7
507.13562	4.1
545.22156	11.2
545.32947	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	545.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.5
57.03453	80.6
59.01385	100.0
69.03442	2.3
70.32802	1.6
70.69260	2.0
70.69618	4.6
71.01389	51.7
72.23324	1.5
73.02950	30.1
77.65644	1.6
78.17052	1.6
79.05544	1.7
81.03461	3.1
83.01392	10.8
84.02177	1.7
85.02961	15.6
87.00883	4.2
89.02451	31.5
95.01381	6.2
97.02933	1.9
99.00868	2.4
99.04527	85.6
100.87657	1.8
101.02448	58.9
101.03116	3.1
113.02456	28.4
113.06080	3.3
113.90307	1.6
119.03512	13.5
123.04560	10.8
125.02460	54.0
131.03481	6.6
133.54463	1.8
137.09720	7.7
141.05539	2.1
143.03481	8.2
149.04590	5.3
153.05623	1.9
153.09209	2.3
159.11748	1.9
161.04575	20.2
161.08470	2.1
161.09740	24.1
163.11316	5.4
164.08348	1.7
165.09200	3.6
177.12863	3.9
179.05637	14.4
179.10773	19.7
187.07756	2.3
191.10895	2.5
203.05473	2.2
203.10789	26.6
217.68567	1.7
221.06635	7.1
221.11844	18.8
226.05907	1.9
234.98219	2.1
235.01799	1.7
239.12857	6.7
263.07681	5.0
323.09781	1.9
365.15991	12.1
383.17078	16.2
399.16931	2.2
401.18317	22.0
425.08661	2.6
443.19046	6.3
527.21051	2.9
545.13831	3.3
545.22278	28.1
558.54791	2.0
560.62872	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	546.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83579	1.1
59.01373	3.6
68.71371	1.1
71.01375	1.8
71.31205	1.5
96.96031	1.7
118.02975	1.8
119.03426	1.2
125.02415	2.0
128.03517	2.2
131.03804	1.6
132.04585	7.1
133.03000	8.3
135.04526	5.2
149.06046	1.6
159.03279	21.8
160.04066	100.0
161.02470	37.8
161.04483	3.3
179.03531	9.7
199.49504	1.3
203.03592	1.7
204.03040	45.6
205.03326	1.7
239.12041	1.6
289.65244	1.2
341.08807	17.1
380.74243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05813	0.4
51.57969	0.4
57.03452	3.9
59.01381	6.0
64.83405	0.5
71.01391	4.8
73.02947	1.1
79.04002	0.5
83.16803	0.5
84.02190	0.8
85.02966	1.5
87.00886	0.7
88.15900	0.5
89.02445	2.7
93.03478	0.9
95.01368	0.5
99.04531	3.3
99.27967	0.6
100.25283	0.6
101.02458	3.6
107.05073	1.1
109.02947	0.5
113.02467	3.0
117.03451	1.4
119.03515	1.4
121.02982	2.9
124.21426	0.5
125.02472	1.9
132.02156	1.6
133.02963	19.1
134.03769	4.7
135.04538	94.5
136.04860	2.2
137.02512	0.6
143.03505	1.0
147.04559	0.9
149.02458	16.5
152.01161	1.6
155.40901	0.5
161.02458	67.6
162.02827	2.4
163.04057	1.3
164.04796	9.3
169.05016	0.6
175.04071	0.9
177.01932	0.7
177.05653	0.6
179.03511	100.0
180.03851	3.8
180.67143	0.5
190.02718	2.7
193.01434	3.3
203.03502	2.2
205.05034	3.0
205.12296	1.3
208.03773	8.3
209.04533	0.9
221.04512	0.6
223.06129	33.1
223.13306	1.2
224.06488	1.3
229.30156	0.7
257.45334	0.6
303.82724	0.5
309.41397	0.6
323.07748	33.6
324.08081	1.7
341.08722	2.1
367.10327	4.2
403.19772	0.7
461.95645	0.5
473.90302	0.6
512.22015	0.6
547.14172	3.1
547.23291	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	547.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.2
57.03450	20.9
59.01383	22.3
59.56570	0.7
60.01702	0.9
61.98842	1.0
69.29007	2.3
69.29430	4.1
71.01388	11.0
73.02954	6.8
83.01406	2.5
85.02974	4.0
87.00889	1.3
89.02460	7.3
93.03476	2.2
95.01386	1.6
96.96018	2.3
98.22496	1.7
99.04523	17.5
100.04859	1.7
101.02441	12.6
111.00916	0.7
113.02473	6.1
113.03552	0.7
114.11420	0.6
117.03468	7.3
117.33557	0.6
119.03503	3.4
119.05064	1.6
123.04543	1.9
125.02476	7.8
126.82101	0.7
133.02954	1.5
133.06569	1.1
134.03787	0.9
134.08725	0.7
135.04553	5.9
137.02524	0.8
143.03517	2.1
145.02994	0.7
145.42055	0.8
145.99080	0.7
147.04576	1.2
149.02444	2.4
149.04553	0.9
149.06134	1.1
151.03979	1.1
159.04497	0.8
161.02493	5.9
161.04582	5.6
161.05853	1.1
161.62642	0.9
162.78874	0.7
163.04053	1.3
163.11206	0.9
168.26216	0.8
175.03992	2.1
177.05569	1.5
179.03548	3.8
179.05614	3.3
190.02618	0.9
191.03566	1.9
203.03554	1.8
205.05153	2.0
221.04533	1.6
223.06067	1.7
223.13393	1.0
225.05573	0.8
267.06775	0.9
268.07370	1.1
281.04678	1.4
282.05380	2.3
283.06152	4.6
293.08383	0.9
295.06042	5.3
296.06912	3.2
297.07721	18.0
307.06183	2.6
309.07632	2.1
311.05618	3.4
323.05670	3.5
325.07190	10.6
328.05887	4.2
335.05569	2.6
337.07202	4.5
351.05112	1.3
353.06699	36.7
354.07236	2.1
355.08176	1.0
356.05527	1.5
365.06714	7.5
381.06104	1.1
383.07739	29.7
384.08069	1.2
385.18655	3.6
395.07846	2.7
397.09198	1.3
403.19736	5.3
407.07562	1.0
412.79776	0.9
413.08823	3.5
425.08960	1.8
443.09659	2.1
445.20612	1.3
457.11365	14.9
458.11673	1.1
487.12561	8.2
529.13788	4.6
547.14624	100.0
547.23523	5.4
548.14886	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	547.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03179	1.9
57.03451	31.8
58.03792	1.6
59.01381	38.1
61.98844	1.3
66.34408	1.0
69.38821	6.8
71.01386	20.7
72.19715	1.0
72.99301	1.5
73.02953	8.2
81.03479	1.3
83.01402	3.9
85.02969	5.6
87.00898	2.8
88.04058	3.5
89.02452	14.8
93.03467	1.1
95.01406	1.8
96.96016	2.6
97.84777	1.0
99.00907	2.0
99.04528	28.8
100.04857	1.6
101.02456	20.6
113.02430	7.2
114.05633	1.3
117.03487	4.5
119.03551	5.7
119.05070	1.5
121.02982	1.1
123.04551	4.6
125.02468	15.5
126.02783	1.2
127.05129	1.4
131.03519	1.3
133.02925	1.8
134.03745	1.2
135.04533	8.2
139.37465	1.0
141.09215	1.0
143.03500	3.6
149.02475	4.1
153.05600	1.3
161.02473	11.9
161.04541	9.8
161.05800	1.7
162.33678	1.1
163.03947	1.7
164.04842	2.5
165.09164	1.3
167.10797	1.2
175.00331	2.3
175.04129	1.5
177.05598	1.4
177.14342	1.0
179.03523	4.4
179.05638	7.0
179.10867	1.0
190.02740	4.4
191.03520	2.6
193.05058	1.4
200.17949	1.4
203.03574	1.6
205.05081	4.3
205.12268	1.7
221.04565	2.5
221.06583	1.5
223.06020	5.1
223.13452	2.3
281.04523	1.3
281.08594	1.1
282.05350	2.1
283.06113	4.4
295.06070	5.7
296.06793	2.3
297.07690	20.5
301.10733	2.1
307.06094	2.9
309.07697	2.1
311.05609	3.5
312.06073	1.0
323.05801	4.4
323.09775	1.6
325.07181	7.5
328.05905	2.5
335.05704	1.2
337.07220	2.8
353.06668	33.0
354.07159	2.3
355.07825	1.5
365.06583	6.8
383.07703	25.7
384.07916	2.2
385.18723	3.4
395.07910	2.4
403.19629	6.4
413.08774	4.3
425.08823	1.8
427.09601	1.5
443.09918	2.5
445.20743	2.4
457.11423	16.1
457.17361	0.7
487.12576	9.4
500.07101	1.2
529.13708	3.0
529.24652	1.0
547.14667	100.0
547.23785	11.0
548.14905	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	547.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76498	0.2
57.03450	2.5
59.01391	2.5
61.98825	0.4
69.27211	0.4
69.27619	1.6
71.01036	0.2
71.01381	1.7
72.99322	0.3
73.02965	0.6
74.14001	0.2
75.96730	0.2
84.02164	0.8
85.02964	0.8
87.00893	0.3
89.02458	0.6
99.04520	2.3
101.02440	1.8
105.03479	0.8
107.27438	0.2
113.02470	0.7
117.03492	0.5
119.03502	0.4
121.02996	0.5
123.04539	0.5
125.02480	0.8
132.02196	2.2
133.02966	35.7
134.03345	0.9
135.04535	9.4
136.04819	0.4
147.04468	0.4
149.02463	2.7
149.06100	0.8
150.03160	0.4
160.01665	0.5
161.02454	100.0
162.02792	3.1
163.04048	0.9
164.04822	2.0
172.54495	0.2
175.00333	0.5
175.03992	1.1
176.01181	0.5
177.05574	1.0
179.03502	13.7
179.07159	0.4
180.03865	0.5
190.02769	1.4
191.03487	1.2
193.05028	0.4
203.03522	2.5
205.05057	1.4
205.12350	2.0
206.05815	1.1
207.02966	0.4
208.03767	0.8
209.04539	0.9
221.04614	0.6
221.08212	1.0
222.05083	0.3
223.06116	3.3
223.13362	1.5
237.07739	0.3
250.04877	0.4
251.05551	0.6
263.87799	0.3
265.07120	2.2
281.06735	0.6
295.08179	0.9
311.07797	0.7
323.07776	1.3
325.09286	1.0
341.09018	1.1
353.08813	1.7
367.10468	1.5
367.17429	0.4
371.09857	0.8
385.18799	1.0
403.19495	0.9
427.19482	0.3
487.12592	0.4
492.04733	0.3
547.14508	7.0
547.23224	2.2
548.14825	0.8
548.23175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01385	22.0
61.99223	2.3
67.24680	1.9
68.57401	1.9
70.60820	5.8
71.01369	6.3
89.02451	4.2
96.96051	4.5
101.02475	2.6
115.67098	2.0
117.03492	10.4
119.05041	33.6
125.02514	2.8
127.29390	2.0
128.03537	2.3
135.22549	2.1
145.02965	100.0
146.03233	2.2
161.06061	5.8
163.04030	47.1
177.05576	2.5
187.04047	5.7
205.04968	6.7
235.06180	2.6
250.60162	2.1
265.07132	4.3
325.09293	50.1
326.09360	2.3
468.61765	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	547.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77824	2.6
56.23749	2.4
57.03183	4.3
57.03454	84.9
59.01385	89.6
69.81388	13.2
71.01392	22.3
73.02943	8.8
80.83536	2.0
83.01377	4.1
85.02953	6.0
89.02454	9.1
99.04529	100.0
99.34706	2.4
101.02451	34.6
102.24783	2.3
113.02490	5.9
119.03453	3.1
125.02454	39.9
135.08163	3.9
143.03488	6.1
147.08197	3.5
160.19829	2.4
161.04541	11.1
163.11266	3.6
175.07616	7.7
179.05719	4.7
187.11292	3.0
189.09283	3.0
205.12386	20.6
223.13336	11.2
283.61154	2.6
385.18539	6.0
403.19901	5.8
445.20825	5.3
547.23969	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	547.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13619	3.0
54.28174	3.3
57.03448	11.1
59.01387	77.8
68.75774	3.6
71.01389	91.1
71.31151	3.4
72.99315	5.8
73.02944	14.3
73.84946	3.1
82.83327	3.1
83.01416	5.0
85.02957	21.7
86.82134	3.1
87.00890	10.1
89.02453	100.0
89.93269	2.8
91.31571	3.2
95.01387	4.7
97.03020	4.6
99.00926	7.2
99.04523	6.5
101.02450	82.1
113.02470	39.1
119.03520	46.8
125.02468	24.2
131.03539	13.2
138.06882	7.0
143.03551	15.2
151.07590	5.4
152.08444	25.4
153.09230	32.6
159.02995	5.4
161.04541	24.0
163.11269	4.1
179.05612	51.5
195.46414	2.8
205.12358	51.0
208.38911	3.7
221.06688	27.8
223.13463	8.2
246.20538	3.3
323.09875	11.6
385.18771	8.2
547.24072	37.6
548.24280	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	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
57.03452	79.2
59.01387	100.0
67.05447	1.9
69.20029	3.9
69.20425	16.1
70.33710	1.8
71.01389	61.5
72.01714	2.0
72.99309	3.4
73.02951	16.6
79.95769	5.1
81.03493	3.4
83.01395	7.5
85.02956	19.4
87.00888	6.4
89.02455	44.8
94.98094	41.4
95.01392	3.3
96.96027	2.8
97.02938	2.6
99.00906	3.3
99.04533	66.0
101.02452	50.5
113.02467	28.4
117.11622	1.9
119.03533	21.5
123.04563	4.5
123.08128	2.3
125.02470	37.9
131.03505	3.3
135.04535	3.1
137.09689	3.0
139.07640	3.2
143.03519	10.1
149.04550	3.7
153.09242	6.9
159.02962	2.3
159.04443	2.0
161.04567	19.1
161.09706	2.9
162.55240	1.8
163.11235	2.3
165.09164	2.5
167.10764	3.4
179.05659	12.4
179.10764	5.4
181.12411	1.9
187.11290	5.5
205.12399	17.0
221.11993	2.4
222.12425	2.5
223.13451	24.1
241.14571	4.5
267.06500	2.1
281.08231	7.2
287.09189	3.2
309.07626	5.2
323.09808	3.5
337.07147	10.1
349.06982	2.5
367.08304	8.2
385.18747	14.3
403.19727	25.5
404.20126	3.1
409.09134	2.6
427.10083	3.0
445.20874	5.3
485.23331	2.3
547.14587	28.0
547.23993	37.7
548.24573	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42318	1.4
57.03450	100.0
58.00620	2.2
58.57639	1.7
59.01383	70.8
61.98782	1.5
69.03452	3.0
69.05035	2.8
69.05433	16.3
71.01387	33.9
73.02953	14.2
79.05475	1.7
81.03455	2.7
83.01389	7.1
85.02956	12.5
87.00906	7.0
89.02447	24.1
95.01402	3.0
96.91843	1.6
97.02957	3.1
99.00887	7.2
99.04526	94.0
100.04875	1.8
101.02453	44.1
113.02445	23.6
119.03494	8.9
123.04550	4.7
123.08187	4.9
125.02462	36.6
125.09740	11.4
131.03539	2.4
133.03001	3.1
135.04570	3.6
141.09245	3.5
142.34825	1.6
143.03549	7.7
149.04547	3.2
149.09749	4.3
153.09227	3.7
161.02438	6.9
161.04576	10.6
163.11281	4.1
165.09230	2.8
175.11319	3.7
177.09241	2.0
178.10013	1.9
179.05688	4.7
179.10803	4.7
187.11301	4.2
189.09157	2.1
193.12350	18.6
205.12334	22.2
211.13457	2.4
221.06706	2.5
223.13391	7.6
223.83713	1.8
241.14496	5.8
283.06213	2.0
297.07693	2.4
353.06622	3.9
383.07706	4.7
385.18683	31.7
403.19711	48.1
404.20258	3.7
445.20615	7.8
457.11353	2.3
503.24677	1.9
547.14557	20.0
547.23969	43.2
548.14893	2.3
548.23407	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	549.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.4
63.34873	0.3
70.65224	0.3
70.96562	0.5
70.96893	0.4
77.03984	1.6
79.88796	0.3
93.03476	0.5
121.02968	100.0
122.03284	2.8
137.02492	0.3
154.91385	0.3
165.01944	57.2
166.02336	1.5
180.05904	0.6
181.06612	2.2
197.06091	2.2
207.04526	0.9
225.05582	1.6
257.09717	0.9
299.44424	0.4
313.07153	1.7
357.06183	0.9
383.07504	0.6
417.09955	2.1
505.11353	2.2
549.10406	25.5
550.10822	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	549.1981
Annotation	Eucommin A
Peak:m/z	Relative Intensity
51.49966	4.3
59.01358	6.0
61.98840	4.5
69.03503	21.2
69.03930	31.1
75.91161	4.1
83.33424	4.9
119.30177	5.8
136.01682	27.3
151.00404	13.8
151.04034	38.6
163.33148	4.6
166.02724	39.1
181.05077	51.5
303.28928	4.9
357.09772	10.8
387.14511	100.0
388.14810	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	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65299	1.4
57.03449	63.8
59.01382	53.8
61.98837	34.2
71.01382	27.3
71.05045	1.5
71.32375	1.4
71.32761	2.0
72.99293	2.1
73.02951	14.5
73.04121	1.7
81.03462	15.2
83.01395	4.2
85.02971	8.6
87.00880	2.6
89.02452	25.3
93.03476	1.4
95.01413	1.6
96.95990	1.5
99.04528	100.0
100.47732	1.4
101.02453	37.5
102.02745	2.5
104.67272	1.5
113.02457	17.2
113.06114	2.5
117.03452	1.8
119.03520	10.0
119.05032	4.4
123.04522	4.8
125.02455	25.6
125.09773	10.6
126.02806	2.3
128.03548	3.3
131.03482	1.8
143.03517	6.7
145.02933	7.7
149.02463	4.2
149.04559	3.0
161.04581	10.1
163.04008	4.9
164.04794	3.1
165.05148	2.6
175.00319	4.3
176.00658	1.6
179.05652	9.1
190.02716	11.2
191.03104	5.8
192.03175	1.9
205.05077	12.1
206.05405	5.3
207.05556	5.8
207.13831	1.6
221.06685	2.4
223.06082	10.8
224.06461	5.7
225.06654	5.9
237.09163	1.9
241.05005	4.2
245.45355	1.9
271.09735	6.6
305.16409	1.9
327.08792	1.9
343.12384	2.5
387.10846	4.6
387.19955	7.4
405.21201	11.1
447.22357	4.0
533.83807	1.9
549.25354	21.8
550.25531	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49427	1.0
55.01856	1.5
55.35898	0.9
57.03432	4.6
58.00583	1.5
59.01383	13.1
61.98819	3.5
65.07233	0.9
71.01385	16.8
71.33566	2.0
73.02951	5.6
83.01386	4.6
83.05025	1.3
85.02950	11.5
87.00883	100.0
87.04511	2.0
88.01220	1.2
89.02451	3.0
95.01428	1.1
99.00883	1.7
99.04522	3.6
101.02451	12.1
113.02442	4.8
119.03502	1.4
124.01657	4.4
125.02462	1.6
125.40868	1.1
130.99886	2.3
133.02982	2.1
135.04497	1.2
143.03560	1.3
161.02432	2.0
161.04547	2.5
162.02817	1.1
263.19992	1.8
281.21188	2.9
366.60623	1.2
405.09952	1.0
405.25601	1.1
415.26956	9.5
417.24875	2.0
425.25458	26.6
426.25964	1.3
443.26581	5.5
445.24326	9.2
469.24310	20.5
470.24503	1.3
487.25613	5.4
513.23083	1.3
531.24542	4.8
534.58148	1.1
540.74591	1.2
549.25488	62.6
549.31842	2.7
550.25763	4.8
567.67694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80453	1.6
55.01879	1.8
57.03450	100.0
58.00599	1.7
58.03790	2.2
59.01383	86.9
69.04774	7.1
69.05205	10.0
71.01386	41.7
73.02946	30.9
79.05515	2.5
81.03465	4.4
83.01400	8.8
85.02958	11.6
87.00890	2.5
89.02445	29.8
89.02961	2.4
95.01397	3.1
95.38454	1.6
97.03059	1.7
97.06587	1.9
99.04523	87.8
101.02444	60.9
102.02767	1.7
111.04119	1.7
113.02451	23.8
113.06078	2.4
119.03520	14.1
119.05024	2.7
121.37048	1.7
123.04543	12.4
125.01546	2.3
125.02461	43.1
125.08815	3.8
125.09731	72.2
131.03525	3.8
141.05617	1.8
143.03506	9.2
145.55190	1.7
149.04601	4.7
161.04543	19.2
179.05614	11.5
182.18015	1.6
207.13942	2.2
221.06725	2.8
225.14984	26.0
257.08456	2.0
337.08154	2.3
369.10815	2.8
387.20267	24.7
388.20667	2.2
405.16287	2.7
405.21371	44.4
405.26645	2.5
406.21826	3.4
413.40317	1.9
447.22177	13.1
534.31561	1.7
549.17285	4.0
549.25494	40.9
550.25507	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	549.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26803	2.1
57.03453	93.8
59.01389	91.7
60.01714	2.5
60.86621	1.9
61.98806	2.9
62.02581	2.0
62.92020	1.9
69.05405	22.2
71.01390	52.0
72.99310	4.0
73.02956	25.0
74.02505	2.7
83.01405	8.0
83.05058	2.6
85.02981	18.4
87.00882	4.6
89.02451	29.7
95.01385	4.9
96.00951	3.9
96.96037	2.6
99.00906	3.5
99.04533	83.8
100.04880	3.7
101.02458	63.9
103.02915	2.4
113.02460	41.2
113.03618	2.6
113.06113	3.9
119.03638	13.8
119.05042	100.0
120.05423	3.0
123.04567	11.3
125.02460	28.8
125.09754	5.4
127.05138	4.0
128.03560	3.5
131.03555	2.8
143.03537	6.3
153.05582	2.5
161.04567	22.1
163.04027	87.7
163.05386	5.1
163.11316	3.7
164.04384	2.8
177.35281	2.1
179.05644	10.4
221.06667	3.8
225.15125	2.8
242.05817	12.9
257.08197	12.6
343.11954	3.7
387.20221	13.3
405.16937	4.0
405.21860	19.8
406.21661	3.4
447.22287	7.1
549.17676	3.4
549.25537	28.7
550.26019	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	549.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.00597	2.8
59.01384	95.0
61.98845	4.3
68.67855	1.7
69.28986	15.9
71.01386	58.2
72.99306	3.4
73.02946	18.2
74.02515	1.9
81.03464	4.6
83.01395	7.6
85.02943	15.2
87.00894	5.5
89.01945	1.2
89.02451	36.4
94.92562	1.9
95.01393	4.1
98.21793	3.7
99.00876	3.6
99.04523	94.5
101.02445	58.1
113.02456	34.7
119.03518	15.2
121.02915	2.0
123.04530	6.0
125.02453	39.0
125.09730	39.6
128.03595	3.8
130.08803	2.2
131.03488	3.2
133.02957	3.6
135.04564	5.8
135.97295	2.0
136.04857	2.5
143.03496	11.2
149.04509	2.5
161.02496	10.9
161.04552	15.0
179.03502	5.5
179.05580	9.0
181.12395	4.1
190.37698	1.8
193.05118	3.2
199.13420	2.5
207.13811	4.1
225.14966	12.2
231.47420	1.7
243.15997	5.8
369.19049	2.6
387.20190	32.0
405.21301	59.7
406.21741	3.5
447.22168	18.6
487.25134	3.0
549.25073	63.2
550.25977	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	549.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	60.1
59.01386	50.0
61.98835	21.9
70.05122	5.3
71.01384	26.1
72.99307	1.6
73.02949	16.2
81.03455	14.1
83.01383	2.9
85.02966	5.1
87.00909	3.3
89.02456	20.2
89.87170	1.7
99.04527	100.0
100.04842	3.6
101.02454	36.6
113.02462	11.5
113.06100	2.3
119.03491	9.0
119.05023	3.8
123.04543	6.9
125.02459	26.6
125.09750	10.7
126.02869	2.0
130.46548	1.5
131.03474	1.8
141.05602	1.9
143.03535	6.9
145.02959	4.9
149.02481	2.7
149.04561	1.9
150.02771	2.5
161.04556	11.2
163.04018	3.3
163.85667	1.6
164.04787	1.8
175.00352	4.2
177.00899	2.0
179.05579	7.4
188.92137	1.4
190.02756	6.8
191.03014	4.6
192.03177	3.8
205.05045	8.1
206.05449	6.5
207.05641	2.0
221.06535	2.6
223.05946	9.2
224.06514	5.8
225.06685	3.4
227.20688	1.5
232.23145	1.6
241.05058	3.1
241.09151	1.8
305.15887	2.1
369.18973	1.7
387.20090	7.6
405.21271	13.5
408.94006	1.7
447.22235	4.5
490.39658	1.8
549.25598	20.0
550.25458	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	549.284
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66344	52.6
64.41173	50.6
64.66207	42.4
65.25219	50.7
65.88221	43.0
67.85423	50.9
69.84557	43.6
70.43893	97.7
70.44288	100.0
78.95910	63.3
81.98158	46.1
84.16129	46.6
119.55261	47.4
199.67390	52.9
307.43558	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50440	59.8
81.42313	65.7
100.76519	74.0
118.08391	74.3
226.44708	67.8
277.21857	100.0
297.10138	68.0
416.12219	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07375	0.4
69.07773	1.6
71.24387	0.2
74.07594	0.2
78.95908	5.8
79.95747	2.8
94.98080	0.4
96.96017	100.0
96.96927	10.4
97.95966	0.3
104.85598	0.2
124.49413	0.2
145.48512	0.2
158.59251	0.2
180.10164	0.2
186.30167	0.2
200.65109	0.2
296.83304	0.2
489.27545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30530	0.3
55.34485	0.3
57.03455	3.3
59.01388	4.6
60.01714	0.5
61.98834	100.0
71.01384	1.8
71.32708	0.5
73.02943	0.7
81.03494	0.4
82.02968	0.3
83.01408	0.4
85.02966	0.8
85.91766	0.3
87.00903	0.4
89.02457	1.9
90.02751	0.3
99.04529	4.0
100.04890	0.6
101.02453	2.1
102.02843	0.4
108.89390	0.3
113.02505	1.2
117.03508	1.1
119.03550	1.0
119.05041	2.5
125.02470	1.2
128.03603	0.9
131.42909	0.3
145.02962	6.0
161.04657	0.9
163.04005	7.9
178.02684	0.3
179.05698	0.8
187.04080	1.0
193.05145	0.8
205.05098	0.8
323.09918	0.4
405.21628	0.6
406.21747	0.7
412.66519	0.4
487.14569	2.0
493.35083	0.4
550.25201	0.8
550.32898	0.5
551.24707	0.4
578.63550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79142	0.3
56.80186	0.4
57.03451	0.7
57.11175	0.4
59.01389	0.7
61.98833	100.0
69.40070	2.5
71.01394	1.1
73.02955	0.5
89.02425	0.4
91.34753	0.4
99.04523	0.5
101.02478	0.5
101.81596	0.4
183.88979	0.4
344.32999	0.4
483.07629	0.4
507.31836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01388	6.8
61.98829	11.3
65.00365	1.0
67.01891	1.0
69.03458	1.0
71.01391	4.1
71.32517	1.5
77.03966	2.9
81.03471	4.1
85.02934	1.5
89.02444	3.1
93.03459	3.4
95.01411	1.9
95.05048	2.4
97.02951	1.8
99.04533	2.4
101.02460	3.8
105.03474	9.9
107.01402	3.6
107.05038	3.2
109.02967	1.0
113.02467	2.2
114.05666	1.1
117.03476	6.9
119.03551	1.1
119.05065	2.2
121.02972	41.2
123.04556	4.2
125.02443	3.5
127.05202	1.1
128.03525	1.8
132.04564	1.8
133.02950	1.8
134.03758	3.3
135.04567	1.4
136.01607	1.8
139.04002	6.4
144.44087	1.0
145.02963	43.8
146.03328	1.5
149.02455	34.0
149.06081	1.0
150.03174	1.4
151.04037	5.5
161.02489	1.1
161.06168	1.7
163.04018	7.2
165.05550	2.2
177.01967	3.1
178.02751	2.3
181.05084	100.0
182.05441	2.4
187.04016	2.6
193.04990	5.1
195.06621	1.4
201.05591	2.1
204.04318	1.5
219.06544	1.8
225.04088	4.3
235.06161	1.4
259.06064	2.3
308.06494	1.0
325.09244	13.1
326.09875	1.1
345.09714	1.3
371.11453	2.0
389.12766	1.9
519.16437	5.7
528.59894	1.1
551.17889	3.6
551.25238	2.6
562.78705	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	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67854	0.6
55.86147	0.6
57.21873	0.6
59.80069	0.6
70.35018	1.5
70.35390	1.4
74.08672	0.6
77.76907	0.6
78.55031	0.8
93.03444	2.0
121.02964	8.2
122.03732	3.0
133.02959	1.2
134.03751	45.0
135.04459	0.8
137.02451	5.4
139.04015	1.6
149.02457	11.4
149.06094	13.7
150.03233	30.4
151.03572	1.2
164.04779	2.9
165.05569	34.7
166.05937	1.3
178.02718	26.3
179.03073	1.3
180.04311	2.3
184.59686	0.7
193.05063	100.0
194.05324	3.7
195.06633	28.7
196.07066	1.2
206.14986	0.7
221.06076	0.8
222.00975	0.6
239.07028	1.4
250.06343	1.5
267.06720	1.4
276.92838	0.7
282.08966	5.7
297.11530	0.7
341.10309	27.6
342.10715	2.0
389.12411	15.4
390.12659	1.7
551.17938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	0.7
57.03455	12.3
59.01387	9.0
61.98841	1.7
69.04341	3.9
71.01383	3.1
73.02953	2.1
83.01371	0.6
85.02952	1.4
87.04521	100.0
88.04873	1.9
89.02440	0.8
91.04868	0.3
99.04521	7.6
99.05110	0.6
99.77323	0.3
101.02462	4.2
103.04015	0.5
113.02467	1.5
125.02438	3.3
143.03520	0.5
161.02454	0.4
161.04588	1.2
275.15094	2.5
319.14114	1.1
335.85532	0.3
361.15173	0.8
363.20184	1.7
367.16617	0.4
405.21533	0.6
407.19131	7.0
408.19608	0.4
419.19373	1.3
449.20364	1.8
504.14810	0.4
509.01334	0.4
551.23529	4.7
551.30939	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	551.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39009	0.6
56.80059	0.6
57.03443	2.0
57.35313	0.6
59.01369	2.4
60.22202	0.5
69.55769	4.0
71.01375	2.1
73.02978	1.0
74.02479	0.9
75.40913	0.6
85.02975	0.8
88.79512	0.7
89.02453	1.1
96.96004	1.1
98.95635	0.8
99.04523	1.3
101.02451	1.9
104.03564	0.8
108.02180	10.1
113.02455	0.8
121.02950	4.4
122.03710	0.9
125.02360	0.8
129.10399	1.1
129.89484	0.7
134.40158	0.6
135.04527	0.6
141.10342	0.8
146.11511	0.7
161.04549	0.8
209.90656	0.6
260.16541	1.1
287.20239	0.7
302.21213	1.9
326.21252	3.5
328.22800	8.9
329.23166	1.2
345.23093	8.2
346.23871	100.0
347.24194	8.4
389.16766	1.0
389.21658	1.0
407.22723	1.1
423.22058	0.6
431.19592	1.5
551.23218	1.6
551.32080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15806	8.1
64.79203	8.1
69.03093	100.0
78.95878	10.0
98.45493	8.9
108.09950	10.3
111.78398	9.0
128.68858	8.8
152.99617	23.4
245.04221	16.2
279.23163	12.1
315.70499	9.0
482.26306	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	551.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99575	1.3
54.44320	1.1
57.20681	1.2
57.40867	1.4
59.01384	9.4
62.08561	1.1
63.10711	1.2
66.35899	1.2
71.01368	2.0
89.02471	1.8
101.02483	2.1
152.99609	4.3
182.35066	1.2
253.09276	9.0
255.23308	100.0
256.23581	5.3
379.91812	1.3
483.27234	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	552.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28487	0.4
55.57713	0.4
61.98833	100.0
70.07372	1.9
70.28014	0.4
71.01389	0.6
73.19057	0.4
75.26904	0.5
92.98094	0.4
93.12157	0.4
95.24944	0.4
103.44003	0.4
147.04579	0.6
161.02412	0.5
164.07217	1.0
207.35466	0.4
373.66739	0.4
552.28662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01384	1.6
61.98834	100.0
63.89138	0.2
66.33128	0.2
69.02351	2.6
71.01399	1.1
73.02943	0.5
85.44017	0.3
89.02465	0.7
89.89549	0.2
99.04558	1.0
101.02475	1.0
113.02499	0.5
119.03533	0.3
124.77257	0.2
125.02473	0.9
137.09795	0.7
161.04541	1.4
171.10442	0.3
179.05710	0.4
187.11333	0.6
202.53218	0.3
203.14462	0.5
229.14505	0.5
233.06625	0.2
244.03043	0.3
247.13452	0.4
263.07800	0.6
271.13419	0.3
323.09790	1.3
380.57306	0.3
390.26849	1.3
419.63705	0.2
429.88068	0.3
489.27121	2.7
492.25674	0.3
508.32397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01388	5.0
61.98837	100.0
69.17463	2.2
69.17882	1.3
71.01399	1.1
71.81581	0.5
73.02962	0.4
73.98343	0.4
89.02485	0.5
99.04572	0.5
101.02483	0.9
113.02456	0.4
125.02503	0.5
129.05804	0.5
130.08824	0.6
161.02676	0.6
161.04666	0.5
164.07144	0.5
168.08243	0.5
170.06151	0.6
171.06847	0.6
182.09818	0.4
188.04947	0.4
215.05991	1.1
240.13950	3.3
257.11850	0.6
284.12936	2.5
328.12073	0.6
343.13098	0.6
344.13409	0.8
351.72003	0.4
546.94617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31924	0.4
53.04357	0.6
54.43853	0.5
57.52474	0.5
59.01376	1.2
61.98816	0.8
66.03478	0.8
67.03001	1.2
69.45712	1.2
69.46128	2.3
71.01396	1.2
72.00916	2.1
73.04076	5.9
74.30631	0.5
80.03809	1.1
81.04587	5.8
83.02525	0.6
91.02991	0.6
93.03999	0.7
93.04586	13.0
97.04050	0.5
98.02490	1.3
99.01997	0.6
108.05692	1.6
109.04077	0.9
110.07252	32.3
112.05193	2.6
113.03561	0.7
115.05146	4.6
115.08771	3.7
116.07204	0.9
118.04178	0.9
120.01237	0.6
125.02459	1.8
126.05666	1.4
129.10370	0.8
130.06236	6.4
134.03729	1.2
135.04593	0.8
136.05180	2.1
137.03595	9.0
137.07233	0.6
139.08727	0.7
141.06726	3.8
141.10323	0.6
142.06174	0.7
143.00815	0.5
151.08780	2.6
154.06239	66.3
155.04614	0.7
155.06650	0.9
155.08296	1.6
160.01717	1.0
161.02449	2.4
163.03998	0.6
166.06160	0.6
167.09471	0.5
168.11412	4.3
169.09837	1.6
172.07278	7.6
174.10387	0.6
175.03961	1.1
176.04811	1.9
179.03607	0.7
181.13693	0.6
183.15099	1.1
186.12524	1.8
191.12918	0.6
193.05092	1.4
193.13507	2.0
194.11841	0.6
202.08376	0.9
209.14099	10.0
210.16130	1.0
211.14494	2.6
217.05130	0.5
225.13512	1.3
228.17186	4.5
235.12019	2.0
253.13091	2.1
267.14670	4.9
267.18271	1.3
285.15701	4.6
287.18823	1.0
315.16553	0.6
322.22501	7.8
327.09024	0.6
348.20453	0.7
357.13528	3.1
366.21768	0.6
379.24683	5.8
397.21133	1.1
401.12476	0.8
423.23645	2.2
436.26587	0.7
478.28024	1.0
504.25778	0.6
508.14297	0.6
522.26819	21.7
523.27344	2.0
534.26831	4.2
552.27930	100.0
553.28131	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
69.69408	1.6
78.95905	8.8
85.07987	0.4
92.29234	0.5
124.92500	0.4
152.99612	0.9
168.04303	1.6
224.07033	0.9
242.08067	2.8
277.21738	100.0
278.22046	6.6
502.29428	30.1
503.29907	4.1
516.81482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76495	2.6
60.67882	1.9
63.67748	2.3
70.21243	9.6
76.76855	2.2
78.29205	2.4
78.95904	9.1
80.59395	2.0
98.22356	2.4
105.59368	2.3
159.65590	2.6
242.07886	3.2
253.82332	2.5
257.14111	2.3
277.18741	5.5
277.21759	100.0
278.22137	5.6
316.13541	2.2
502.29410	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09344	0.5
59.81027	0.5
61.98835	100.0
68.99547	0.6
69.06339	3.5
69.06760	1.4
71.01392	0.6
80.96515	3.8
91.88433	0.6
94.98145	0.7
108.07812	0.5
164.98642	0.8
222.78050	0.5
225.00690	0.6
394.69623	0.5
553.26947	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	553.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09193	0.4
56.35006	0.4
57.03456	46.1
57.89212	0.5
58.03794	0.6
59.01387	25.1
61.98840	3.2
66.54396	0.4
67.72953	0.4
69.19478	2.1
69.19908	1.8
71.01392	10.1
72.99328	0.8
73.02955	6.8
78.18719	0.5
79.05544	0.5
81.03476	2.1
83.01408	2.1
85.02979	3.0
87.00893	0.7
89.02449	5.9
90.07262	0.4
91.35172	0.4
91.64963	0.4
95.01411	0.8
96.00957	0.5
97.06591	0.5
99.04535	44.1
101.02459	19.5
103.04027	100.0
104.04350	1.3
113.02457	7.0
113.06136	1.0
119.03545	2.9
123.04536	3.5
125.02469	27.7
131.03529	1.5
133.06631	0.8
135.04530	0.9
137.09645	0.5
141.05537	0.8
143.03542	3.1
149.04605	2.2
151.07664	1.8
153.05507	0.7
155.03542	0.5
161.04568	6.3
161.11865	1.7
163.11389	0.5
179.05661	4.1
203.10831	3.0
221.06673	2.7
229.14384	0.8
261.09891	0.5
263.07574	0.5
305.16187	2.9
323.09958	1.3
323.17078	0.9
348.25540	1.3
383.17313	0.9
391.19751	2.5
401.91202	0.5
409.20886	2.1
510.22803	0.5
553.24994	3.8
553.32495	1.6
554.23792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.4
59.01374	10.0
59.09549	1.6
61.98845	16.2
66.03489	1.9
70.02977	7.1
70.03365	1.6
70.21789	1.6
71.01371	6.8
71.32729	1.9
71.33190	1.9
73.02943	3.7
73.04045	2.2
79.67651	1.6
81.03473	2.1
83.01413	2.3
85.02957	5.8
89.02442	4.0
93.03449	2.3
96.00914	12.6
96.96046	2.2
99.04523	8.7
101.02448	7.4
103.04004	14.6
108.02179	12.6
113.02450	4.6
113.03585	5.2
114.01966	14.0
114.05602	1.9
121.02962	7.4
123.04530	1.9
123.71421	1.6
125.02450	7.2
128.03586	2.0
129.06664	1.8
129.10345	13.1
130.08749	5.6
131.04643	7.6
133.02945	1.7
134.03749	2.1
135.04488	3.0
142.25833	1.8
155.08260	5.1
161.04565	5.0
171.07755	2.0
184.10884	2.0
194.80272	2.1
200.14149	2.8
226.12029	1.9
227.13985	2.9
261.16071	10.1
274.36777	1.8
276.17221	4.5
318.18240	3.4
346.23846	8.5
347.24738	17.4
348.25424	100.0
349.25681	7.6
433.20865	20.2
434.20642	1.8
445.21033	2.6
463.22076	4.1
488.70474	2.0
553.25055	12.6
553.32996	12.4
554.31622	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	554.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94035	1.2
57.03452	71.7
57.19405	1.2
58.03785	2.7
59.01384	84.7
61.98834	2.7
62.53904	1.0
69.04440	13.0
69.55653	1.1
70.12093	1.0
70.66476	1.1
71.01387	43.9
72.99304	1.1
73.02950	34.2
75.00890	1.1
81.03448	5.4
83.01406	8.8
85.02946	11.3
87.00876	2.3
87.09834	1.2
89.02454	28.2
95.01407	2.0
97.06599	1.7
99.00907	2.5
99.04527	100.0
100.04868	2.4
101.02450	61.1
102.02808	1.6
103.04019	33.0
104.04348	6.4
105.81731	1.1
113.02458	26.5
113.03639	1.2
113.06119	2.7
119.03508	12.3
123.04536	11.1
125.02457	55.5
126.02805	1.9
128.03610	1.2
131.03534	4.6
133.06590	3.0
135.04617	2.2
141.05614	3.5
143.03494	9.9
146.12158	1.1
148.31123	1.1
149.04564	11.8
151.07671	7.1
153.05579	2.7
161.04567	33.6
164.07062	1.1
179.05637	23.6
203.05672	3.6
203.10785	9.2
221.06664	10.5
261.09821	1.3
263.07776	3.2
323.09851	7.8
383.17062	2.7
411.18930	2.2
442.32040	1.3
510.23489	1.5
554.22644	5.7
554.32520	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	554.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03456	39.7
59.01385	41.2
60.69183	1.0
61.78776	1.2
61.98839	5.4
69.51648	6.9
71.01387	27.8
72.01736	1.3
72.99315	2.0
73.02954	13.5
75.00879	1.4
76.38673	1.1
78.95899	1.2
79.05534	1.3
81.03450	4.4
82.84405	1.3
83.01385	4.3
85.02947	5.8
87.00891	1.8
89.02451	21.7
93.03526	1.8
95.01401	2.0
96.00893	1.4
96.96037	2.1
98.21755	1.8
99.00931	1.4
99.04533	38.5
101.02456	33.3
102.05589	1.4
108.02196	8.6
113.02465	13.8
113.06061	1.2
117.03540	1.2
118.06698	1.3
119.03521	7.2
121.02966	5.7
123.04575	9.6
123.05471	1.5
125.02465	23.3
128.03554	10.4
130.08734	1.2
131.03476	1.3
133.06580	1.5
135.04500	2.4
141.05615	1.5
143.03555	6.2
146.04610	1.2
149.04549	3.8
151.07645	3.2
153.05603	1.8
153.09253	1.7
161.04578	38.1
164.07198	1.7
179.05655	18.5
203.10876	2.8
221.06699	1.6
233.06653	3.3
248.74911	1.3
259.46988	1.4
263.07718	18.9
291.93982	1.4
302.21304	1.5
305.08954	1.7
305.15073	2.1
315.07144	1.2
323.09848	37.4
324.10196	1.9
326.21164	3.7
328.22791	10.4
333.93286	1.2
345.23090	5.6
346.23898	100.0
347.24268	6.8
374.07169	2.3
390.52682	1.2
421.74384	1.3
434.19171	5.9
511.21909	6.7
554.24738	4.7
555.33789	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	554.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43216	0.1
57.03452	0.2
59.01362	0.2
61.98835	100.0
64.38154	0.1
69.63358	0.6
71.01376	0.1
79.95750	0.4
96.96027	1.6
98.21867	0.2
99.04539	0.2
125.02459	0.1
133.95508	0.1
180.38675	0.1
353.61398	0.1
555.24963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98832	0.3
69.02005	2.3
69.02418	1.0
78.95908	5.4
83.91652	0.3
98.22718	0.3
131.13927	0.3
138.21745	0.3
152.99617	0.8
168.04315	1.3
224.06874	0.9
242.08044	2.7
279.23300	100.0
280.23691	5.4
305.66888	0.3
361.68231	0.3
504.30981	28.6
505.31232	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	554.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13522	0.9
69.01199	7.5
69.01609	1.3
71.59760	1.0
73.63179	0.9
75.31797	0.8
78.95913	23.0
82.48269	0.8
91.79768	0.9
92.82436	1.0
129.02916	0.8
130.60522	0.9
152.99579	3.5
168.04324	3.3
215.15822	0.8
224.06956	8.9
229.45399	0.9
242.08017	3.2
278.36716	0.8
279.23328	100.0
280.23657	5.7
450.63174	0.9
504.31055	62.7
505.31436	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	554.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48368	6.4
61.98832	100.0
71.32298	10.3
78.95903	12.3
96.96016	23.0
97.42583	6.5
109.22896	6.5
115.19654	6.0
131.41008	5.9
152.99580	11.5
195.06328	6.2
213.69128	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	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.4
70.65621	1.8
78.95909	20.2
81.62262	0.6
96.96007	3.5
96.96979	0.8
106.62379	0.6
110.92835	0.6
152.99574	4.2
154.06978	0.6
168.04286	3.4
179.89151	0.7
219.27484	0.7
224.06886	7.2
242.07974	2.2
255.23300	100.0
256.21301	1.0
256.23676	6.9
480.30988	54.8
481.31296	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2294
Annotation	Urabaine
Peak:m/z	Relative Intensity
55.01873	2.4
57.03423	2.7
58.00565	4.4
59.01384	79.0
61.98812	2.2
66.09827	0.9
69.03436	3.1
71.01386	63.0
71.92644	1.0
72.99293	3.6
73.02949	11.0
73.04002	1.1
81.03436	1.7
83.01353	3.8
85.02949	10.9
87.00850	3.8
89.02451	100.0
91.61446	0.9
95.01363	3.6
96.99740	0.9
97.02911	4.2
98.22506	2.3
99.00887	10.1
99.04523	1.6
101.02455	28.1
103.02396	0.9
106.06641	6.5
107.06933	1.8
113.02463	20.7
113.07217	1.5
119.03521	13.6
119.04920	1.8
125.02457	40.1
128.03500	1.7
131.02686	1.0
131.03519	11.5
141.67229	1.0
143.03416	3.4
143.04549	1.6
145.64586	1.0
149.04572	41.4
150.05679	7.9
151.05937	2.1
161.04576	4.5
164.07132	2.7
179.05576	5.4
191.05540	4.2
192.06551	0.9
194.04518	1.3
205.04926	1.0
208.34575	0.9
221.06552	4.0
251.07646	1.2
261.13400	1.5
275.07736	8.5
283.17502	1.6
293.08548	3.3
306.07550	1.1
356.10010	5.7
357.09930	3.5
393.12692	1.5
393.17703	26.2
393.22766	0.9
394.17770	2.0
411.18384	1.2
423.18765	8.2
511.21585	2.3
511.28452	4.5
555.22589	47.9
555.35095	1.9
556.22705	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	555.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.4
57.08949	2.3
59.01379	15.6
60.99320	15.4
61.32046	2.2
61.98833	11.7
69.31097	13.0
69.31500	4.4
71.01393	7.6
73.02935	3.8
81.26093	2.2
83.01379	2.6
85.02956	4.5
87.00899	2.9
88.98813	100.0
89.02460	21.1
90.02781	2.4
96.96048	6.4
97.04239	2.2
99.04536	11.1
101.02441	7.7
116.92859	4.1
119.03487	3.5
125.02457	8.1
130.08766	3.6
133.02980	4.1
135.04549	3.6
161.02448	11.0
174.51466	2.4
187.11334	3.5
222.48196	2.3
334.30856	2.4
392.27563	2.7
393.28436	7.4
461.30991	2.9
475.48245	2.2
476.79202	3.1
531.70581	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	555.2453
Annotation	Tyr Leu Phe Asp
Peak:m/z	Relative Intensity
55.06872	1.2
57.03455	73.3
58.03809	1.8
59.01388	68.4
61.98848	8.3
71.01390	28.1
71.32624	1.5
72.99337	1.8
73.02959	16.5
81.03457	3.7
83.01399	7.2
83.05050	3.0
85.02964	6.0
88.26215	1.2
89.02449	11.8
95.01442	1.6
95.05013	1.5
96.96037	3.0
97.03001	1.6
97.06602	2.9
99.00895	2.8
99.04536	100.0
100.04893	1.8
101.02457	42.5
113.02454	11.9
113.06125	2.2
119.03513	4.1
123.04539	7.1
125.02472	53.9
125.06109	2.8
128.03554	1.9
130.08760	5.0
135.04547	3.2
137.09756	3.0
138.06950	1.4
141.05624	1.5
143.03517	4.7
149.04565	2.3
151.07678	4.8
152.08435	12.7
153.09219	17.8
159.03069	2.0
161.04579	12.9
161.09756	5.5
164.04468	1.6
164.09659	1.4
165.09264	4.3
166.89326	1.4
179.03529	2.3
179.05626	3.2
187.11304	7.9
188.77847	1.4
191.07390	1.5
203.05673	3.7
205.12395	3.8
213.12910	1.5
221.06752	2.2
231.13943	8.6
249.14990	28.4
393.19205	5.8
411.20288	5.4
447.78140	1.3
453.21378	3.2
538.33185	1.5
555.24518	16.0
555.34949	7.0
556.34204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01389	0.6
61.98835	2.3
69.51552	1.3
69.51957	0.6
71.01390	0.5
79.95748	21.5
80.96542	2.3
80.96999	0.4
84.02026	0.2
96.96024	100.0
98.22510	0.5
99.04559	0.3
99.57315	0.2
101.00994	0.3
101.02467	0.5
137.96323	0.9
224.69893	0.3
241.36995	0.3
280.82913	0.3
286.13803	0.3
355.25079	0.6
469.17532	5.7
537.23706	0.8
555.24847	53.9
556.25146	4.6
557.23505	0.3
563.87909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
63.96243	1.4
67.56983	0.6
69.03428	0.7
69.17789	0.9
69.18202	4.7
71.01385	6.4
73.02960	1.0
77.62350	0.5
78.98595	5.6
79.95744	7.7
80.96525	55.6
81.03462	0.7
85.02961	2.1
87.00869	2.7
94.98096	13.5
96.95982	1.1
97.02977	1.0
99.00869	0.8
101.02437	2.1
106.98099	2.0
115.03876	0.5
122.97593	4.8
125.02456	2.5
127.03983	0.7
134.97592	4.5
136.99147	1.7
148.99133	4.9
152.98633	4.8
164.98645	10.0
182.99701	1.0
187.27005	0.7
196.61679	0.6
206.99719	2.1
207.19331	0.6
225.00749	14.8
243.01834	0.8
255.23254	2.7
297.60165	0.7
299.04486	2.7
349.91141	0.6
393.09930	0.6
411.37939	0.7
423.91589	0.6
555.28467	100.0
556.28821	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	555.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.8
59.01382	7.7
61.98832	22.9
66.03477	1.7
71.01379	8.5
71.33293	1.5
72.99299	1.3
73.02928	1.9
81.03458	2.7
82.02982	2.0
85.02962	2.8
88.04037	1.6
89.02466	3.2
93.03472	1.1
95.02503	1.2
96.00929	9.6
96.95995	2.7
98.02484	8.6
99.04513	10.8
101.02458	5.3
106.39236	1.0
109.01722	2.0
109.02934	1.6
109.06675	1.0
113.02457	5.5
113.03577	22.8
113.06083	1.9
115.08789	1.0
116.07186	56.2
119.03510	1.1
121.02971	1.8
123.04533	5.0
125.02475	5.4
126.05634	2.8
127.05121	1.7
128.03587	2.3
129.10355	9.9
130.08746	4.3
133.26106	1.0
135.04518	2.5
143.03520	4.7
152.07193	1.2
154.07419	1.7
161.02455	4.0
161.04570	3.5
161.05943	1.2
165.10321	4.5
166.08740	4.1
169.13503	2.8
171.15033	14.5
171.94536	1.0
179.03485	2.4
179.05556	1.2
181.13434	1.1
183.14909	1.4
185.16733	1.2
187.11243	1.2
197.13037	2.7
205.12352	1.8
208.11015	1.3
209.09390	1.8
211.14482	1.5
215.14044	4.6
218.10387	1.0
226.12074	5.8
228.17126	1.4
243.14626	8.3
245.06604	3.2
247.14456	1.7
284.23520	9.2
305.08771	1.4
309.14609	2.9
328.22470	5.3
341.08875	1.8
346.23932	2.0
347.24243	2.8
348.25284	5.1
408.21405	4.6
425.24033	11.2
511.22000	2.2
537.33710	1.1
538.32483	5.4
555.27393	3.9
555.35107	100.0
556.35626	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	555.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01725	0.6
71.31950	0.6
75.00868	2.6
103.00386	5.9
103.01499	86.7
103.38692	0.3
104.01828	0.7
111.41773	0.4
130.25670	0.4
151.87483	0.4
166.63641	0.4
215.57565	0.3
228.54082	0.4
238.88139	0.4
367.39883	0.4
451.32559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.98833	2.6
69.05577	22.0
78.95916	4.6
88.89214	2.3
100.84107	2.5
101.02441	3.7
160.31142	2.7
235.08310	2.7
253.09283	15.6
255.24400	2.6
277.21722	100.0
278.22055	6.7
279.23306	15.4
280.23599	2.5
302.98050	2.8
312.30179	2.2
504.31100	3.7
519.66705	2.8
534.14862	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	556.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
70.09068	3.8
71.01369	2.5
73.02977	1.6
78.95903	3.9
81.88921	1.0
88.02116	0.9
89.02454	2.4
98.21779	1.0
101.02463	2.3
113.02479	1.3
113.68144	1.1
152.99568	1.3
161.04597	1.4
186.83470	1.2
227.35973	1.0
235.08186	1.3
253.09300	16.0
277.21741	100.0
278.22192	6.9
279.23279	11.6
353.27960	1.1
355.06195	1.0
504.30991	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	557.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66643	87.1
78.91911	48.0
113.89964	31.0
121.02933	37.1
139.56039	32.1
192.46379	31.4
242.80531	30.2
329.13828	100.0
395.10934	60.7
401.98022	33.1
435.89053	34.5
543.05670	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
57.03452	5.1
58.00593	2.2
59.01384	50.9
61.98825	2.1
65.00358	0.9
69.02531	6.6
69.02955	3.2
69.03439	2.8
71.01386	56.2
72.01720	0.8
72.99302	3.2
73.02949	20.9
75.00848	1.6
81.03452	2.4
83.01394	10.4
85.02473	1.4
85.02958	20.9
86.00103	1.3
86.84126	0.9
87.00867	4.5
89.02449	29.4
95.01379	2.5
96.95953	0.9
97.02954	3.2
99.00881	7.5
99.04537	3.1
101.02454	50.5
111.00882	1.2
113.02459	21.1
115.03975	1.0
119.03501	8.6
123.04597	1.0
125.02482	10.8
128.03558	1.0
129.02025	1.0
131.03497	2.5
143.03488	3.8
145.03738	0.9
146.32880	1.0
149.04523	2.0
159.02989	3.2
161.04565	14.0
177.26788	0.9
179.05551	4.3
223.08839	0.9
263.14987	34.4
264.15350	1.4
272.66364	1.0
361.29044	1.0
377.18335	1.6
395.19232	68.2
396.19623	3.9
425.20276	19.4
426.20395	1.2
513.22913	1.3
557.24475	100.0
558.24957	9.0
561.62341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01381	1.1
61.98839	1.7
69.06963	2.3
69.79693	0.2
71.01364	0.7
71.28519	0.2
71.80164	0.2
73.02934	0.3
79.95736	3.9
80.96519	0.3
85.02937	0.3
89.02460	0.5
96.96017	100.0
97.95963	0.4
98.95609	1.4
99.04512	0.7
101.02441	0.6
105.44801	0.3
119.03520	0.2
125.02423	0.3
161.04514	0.4
258.59738	0.2
329.23145	0.2
348.45609	0.2
521.22723	0.3
557.26343	47.0
558.26764	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	557.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15591	0.5
61.98833	100.0
70.51121	1.4
78.03883	0.5
78.95920	1.6
82.41228	0.5
101.16277	0.6
152.99695	0.9
255.23428	1.8
332.05908	0.6
356.59030	0.8
480.31177	0.9
553.80103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03860	3.7
69.04285	6.2
78.95908	36.0
83.48670	1.0
90.93519	1.0
96.96939	1.3
103.15521	1.1
122.00130	1.6
140.01189	7.4
143.16161	0.9
152.99582	13.7
196.03821	14.9
214.04918	2.9
219.06621	0.8
241.88823	1.1
279.23300	100.0
280.23672	8.0
307.29544	0.9
476.27829	55.9
477.28073	5.2
508.71387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29037	0.7
69.80199	1.7
74.44793	0.7
78.95911	14.4
80.82657	0.7
98.21699	0.7
102.83108	0.6
108.72826	0.7
140.01204	2.7
152.99577	6.1
162.67027	0.8
196.03807	3.5
214.04875	3.6
275.99103	0.8
279.23312	100.0
280.23642	7.7
476.27863	22.2
477.28152	2.2
506.43552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24013	1.2
59.01385	2.8
61.98841	1.4
62.83840	1.4
70.36755	4.2
71.01389	3.7
78.95911	2.7
89.02423	2.9
89.03304	1.4
101.02457	3.8
219.94472	1.2
244.48004	1.3
253.09335	15.8
254.47128	1.2
279.23315	100.0
280.23563	6.2
281.24878	2.3
484.15671	2.6
558.28522	3.5
565.98511	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	558.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.98832	7.5
69.23829	2.3
69.24233	12.4
71.01385	2.8
71.28145	1.7
89.02483	3.7
99.80965	1.7
101.02449	2.4
161.04543	2.3
253.09328	13.9
279.23303	100.0
280.23648	7.3
281.24792	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	559.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.4
57.03452	29.7
59.01388	44.0
71.01395	34.4
71.30534	1.9
71.30897	1.8
72.66309	1.6
72.99295	1.9
73.02953	20.4
78.95938	2.0
81.03461	4.3
83.01385	6.6
85.02953	7.1
88.07208	1.7
89.02447	12.5
97.06592	3.8
99.04535	17.1
101.02454	29.6
107.05010	2.1
109.02964	6.7
109.06589	3.5
113.02491	8.9
113.06083	3.0
115.00339	3.0
119.03499	3.7
121.02938	1.9
121.06611	6.5
122.03745	8.8
123.04572	3.6
125.02464	13.3
128.03572	2.2
130.08759	2.7
133.01410	2.0
133.02960	2.9
133.06638	4.0
135.04546	22.8
137.06119	7.6
147.04544	2.1
149.06087	1.9
149.09764	9.4
161.02455	5.9
161.04610	9.3
161.05920	2.4
165.05621	2.5
166.48448	1.9
173.09715	7.3
176.08330	1.8
179.03474	9.6
183.59955	1.9
189.09277	3.2
191.09016	3.0
191.10777	56.1
217.11871	2.9
227.10374	2.4
235.09781	2.7
242.05925	2.7
243.06590	6.8
244.13107	2.9
281.01953	2.7
309.05112	2.3
341.09137	3.0
342.81641	2.0
346.78751	2.1
397.03305	21.7
401.10986	2.1
415.16129	100.0
416.16565	8.0
457.17172	63.9
458.17593	6.7
497.20496	12.9
559.20343	72.9
560.20709	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	559.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.8
59.01382	7.9
61.98843	2.7
69.03445	2.2
70.60719	3.0
70.61040	2.8
71.01369	4.3
74.68300	1.8
82.95438	2.8
93.03447	2.2
99.04555	4.3
101.02464	8.0
107.05080	2.2
112.00869	2.1
125.02518	1.9
131.08757	1.9
133.06618	7.6
149.09741	100.0
150.10031	3.2
161.04507	3.8
170.91084	2.0
175.07652	4.9
182.15709	1.9
191.10783	15.8
272.13229	2.0
299.50348	1.8
362.17279	1.9
415.16068	29.2
457.17291	12.1
497.19846	2.6
550.47314	2.0
559.20367	40.4
560.20789	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	559.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76648	6.2
57.03448	29.1
59.01390	45.8
64.30858	6.4
69.73737	21.9
69.74152	18.1
71.01397	18.8
73.02955	22.8
74.36778	5.9
85.02947	13.3
89.02472	11.0
98.21896	6.8
99.04578	13.9
101.02472	26.9
101.93956	6.8
103.54741	6.2
121.06634	8.3
125.02506	7.2
125.06158	7.0
135.04559	8.5
149.09763	10.1
161.04610	7.2
173.09663	8.4
191.10793	60.7
415.16183	100.0
457.17276	65.2
505.59933	7.8
559.20392	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	94.1
59.01381	95.3
61.98812	9.0
68.63374	2.2
69.07131	10.7
69.07553	12.0
71.01383	28.8
73.02943	13.9
83.01374	7.4
85.02942	6.1
89.02449	21.4
94.08089	2.3
99.04522	100.0
101.02452	36.9
109.02946	3.9
113.02450	15.3
119.03506	8.6
119.05047	2.6
123.04560	3.8
125.02457	33.1
128.03491	2.9
130.08740	2.4
131.03442	2.8
135.04503	3.5
135.58344	2.4
143.03477	5.0
145.02962	3.1
153.01903	5.7
161.02458	6.4
161.04530	9.2
179.05614	6.7
253.14420	3.1
274.20413	2.5
301.93539	2.4
397.22543	5.5
402.19839	2.5
413.99008	2.5
415.23459	15.2
424.88675	2.6
462.19009	2.3
477.24725	2.4
503.66983	2.9
559.27704	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88873	1.0
55.01893	1.4
57.03452	98.5
59.01383	99.7
61.98826	2.9
69.42056	1.1
70.19942	1.0
70.95010	1.5
71.01391	21.3
72.23260	1.1
72.99313	1.6
73.02944	7.9
78.11386	1.1
81.03475	2.5
83.01391	4.5
85.02956	7.7
87.00920	1.6
89.02451	11.1
95.01380	1.8
99.00900	1.7
99.04527	100.0
100.04874	1.5
101.02454	34.1
113.02470	10.0
119.03517	3.9
125.02464	30.1
143.03506	4.3
156.28394	1.2
161.04521	6.8
179.05658	2.8
221.04803	1.1
397.22412	2.7
415.23434	16.5
433.77887	1.1
457.24445	2.3
512.09753	1.1
559.27765	5.8
560.30054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17379	9.1
55.08769	7.6
57.69431	9.5
58.63039	8.8
58.98235	9.0
61.98835	10.9
71.31779	13.3
74.17337	10.0
170.23087	9.6
241.90442	9.7
277.21707	100.0
326.54520	9.5
351.32675	11.5
502.29111	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	559.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04791	7.7
57.33394	8.4
61.98820	26.6
70.75513	26.2
78.95914	26.7
84.99219	8.7
168.04402	8.2
188.14325	8.5
220.04402	7.6
224.06941	15.3
265.72592	8.3
277.21710	100.0
289.66736	8.0
410.51761	9.6
502.29553	65.2
544.35284	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	560.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01794	13.1
53.27239	12.7
54.69628	13.4
58.47661	13.2
61.98829	18.1
62.37464	12.4
69.01531	100.0
69.01953	53.7
71.01386	21.9
89.02465	27.1
101.02411	15.9
121.38605	16.0
168.61017	12.6
273.29407	14.2
303.77930	15.8
357.85101	14.9
362.26971	66.1
464.13708	15.1
560.29718	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86625	2.5
58.64055	2.8
70.78129	5.0
71.01379	4.0
76.93399	2.9
78.95921	6.8
94.35569	2.6
100.26573	2.7
152.99605	4.0
160.67618	2.3
167.01118	3.6
253.09367	11.9
281.21747	5.6
281.24890	100.0
282.25201	5.8
309.64948	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2195
Annotation	Kunzeaphlogin D
Peak:m/z	Relative Intensity
57.03455	85.2
58.01398	5.5
59.01388	100.0
63.67692	4.2
65.93433	4.3
70.82487	9.0
71.01392	61.3
73.02953	40.1
81.03461	7.0
83.01395	13.4
85.02962	7.0
87.00896	6.3
89.02457	42.1
99.04540	38.1
101.02454	74.8
113.02454	24.6
119.03510	28.5
123.04544	20.7
125.02447	21.7
131.03548	5.4
141.05615	7.8
143.03500	9.2
144.05743	6.6
149.04654	6.4
150.55992	5.4
151.07640	8.3
161.04588	20.1
161.05928	5.1
161.09720	59.3
173.09676	9.8
175.07718	7.0
177.09280	29.7
179.05603	13.4
179.07185	23.0
191.10785	10.9
193.08691	6.1
201.09180	36.7
219.10268	58.2
221.06648	12.3
381.15521	50.5
399.16428	7.0
417.17459	14.1
423.16730	37.0
561.21930	76.6
562.22021	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	561.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	4.5
57.03453	80.3
57.99306	2.5
59.01090	5.2
59.01385	100.0
62.90109	2.2
65.58394	2.2
69.03448	3.3
71.01024	4.5
71.01389	51.5
72.99324	4.0
73.02948	35.2
75.00887	3.2
79.05537	3.9
81.03478	5.7
83.01398	10.3
83.05032	3.5
85.02969	11.0
87.00873	6.8
89.02452	39.5
95.01427	2.4
95.05011	3.6
96.84335	2.6
97.02983	3.2
99.00811	2.6
99.04529	68.7
101.02449	70.4
109.06596	3.2
111.04530	4.0
113.02477	26.8
113.06155	4.7
119.03507	15.3
123.04537	18.1
125.02464	51.1
131.03514	5.8
137.06154	5.1
141.05618	6.4
143.03511	9.7
149.04587	5.7
149.09753	3.8
150.10121	3.7
151.07645	9.0
153.05620	3.0
153.09279	3.6
161.04613	16.0
161.05907	3.2
161.09761	7.6
163.07661	3.4
165.05527	3.2
165.09282	13.7
175.07724	3.1
177.09219	28.4
179.05627	15.6
179.06970	3.1
179.10730	3.4
181.08705	6.8
189.09190	5.8
191.10808	4.0
195.10368	5.8
201.09189	7.8
203.05522	3.2
204.07893	3.1
207.10298	6.6
207.82405	2.4
219.10281	31.0
221.06657	7.3
226.80171	2.5
229.42177	3.0
237.11343	10.6
251.74213	2.6
255.12424	4.0
262.25290	2.5
263.07703	3.8
381.15488	13.2
387.16934	3.3
399.16568	14.8
400.17044	3.2
417.17651	23.1
423.16696	3.0
441.17279	3.2
459.18335	7.6
561.21600	39.6
562.22467	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	561.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03449	100.0
57.84823	0.8
58.00606	1.1
58.03770	1.3
59.01381	70.9
60.01728	1.0
61.98812	1.9
62.14214	0.9
67.67876	0.8
69.20345	8.0
71.01383	23.4
72.99326	1.5
73.02953	10.9
75.00865	1.2
81.03419	2.4
83.01394	4.6
84.02156	1.6
85.02969	10.2
87.00888	9.2
89.02442	7.4
97.02960	1.7
98.03734	1.0
99.00893	1.4
99.04521	89.5
100.04890	1.4
101.02444	33.3
106.21893	0.9
109.02971	1.2
111.00917	1.2
111.08157	1.9
113.02448	8.0
113.06170	1.1
119.03479	4.2
123.04512	2.5
123.08148	1.6
125.02450	35.6
127.07654	2.2
128.26233	0.9
131.03471	1.4
139.03941	1.0
139.07687	2.2
141.05605	1.4
141.09212	3.3
143.03508	2.9
155.07103	2.7
155.08281	0.9
161.02516	1.2
161.04573	6.6
163.11284	1.2
165.64813	0.9
201.09128	1.0
219.10298	2.1
237.11319	1.1
255.12408	3.8
381.15375	1.3
417.17563	3.2
459.18683	3.7
499.21884	1.0
537.26422	1.0
561.21881	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59193	1.1
57.03456	100.0
58.03783	1.9
58.60250	1.2
59.01387	87.2
60.01706	1.2
61.98841	1.8
66.60303	1.1
71.01026	2.2
71.01389	28.1
71.41008	1.3
72.99307	2.2
73.02962	13.8
75.00880	2.3
75.42860	1.2
81.03474	4.2
83.01387	5.5
84.02183	2.4
85.02964	9.8
85.06575	1.4
87.00878	6.4
89.02457	11.8
99.00928	1.8
99.04535	92.5
101.02457	35.6
111.08184	2.3
113.02498	6.2
113.06122	1.5
115.91430	1.1
116.07169	1.4
119.03512	4.6
123.04527	3.3
125.02467	40.0
127.07688	2.5
129.01987	1.3
133.03008	1.7
134.03754	4.2
134.37372	1.2
135.04565	1.6
139.07664	1.6
141.05579	1.6
141.09213	2.1
143.03516	3.7
145.59465	1.3
149.06126	2.4
153.05550	1.2
153.09171	1.5
161.02444	4.8
161.04573	7.7
162.02812	2.5
163.11327	1.3
175.00404	1.7
178.02704	3.5
179.03500	2.0
190.02827	2.2
193.05070	8.3
196.20190	1.1
218.08261	1.4
219.08424	1.3
219.10286	2.0
237.11571	1.5
255.12358	4.4
367.10452	2.4
381.15256	1.5
398.14603	2.0
399.15146	2.9
417.17627	4.1
459.18777	4.3
561.22375	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98517	2.6
61.98835	48.1
62.49768	1.5
69.59212	1.5
71.32543	2.8
76.28945	1.5
78.95916	22.3
84.41963	1.5
93.56105	1.4
140.01207	4.3
152.99583	4.4
191.90042	1.8
196.03850	9.2
279.23312	100.0
280.23642	9.9
288.46524	1.5
288.82358	1.7
307.52094	1.6
316.37616	1.6
439.41882	1.9
476.27823	44.7
477.28098	4.9
504.30936	7.3
561.25720	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	561.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21037	1.5
55.01886	1.7
57.03452	98.4
58.80242	1.2
59.01384	80.9
61.98819	5.5
66.84756	1.2
69.07423	1.2
69.07844	1.6
69.09572	14.5
71.01388	65.0
72.99319	1.3
73.02940	4.3
81.03437	2.2
83.01380	5.8
85.02951	7.0
87.00880	2.5
89.02470	10.0
95.01366	1.5
95.24877	1.4
99.00867	3.1
99.04527	100.0
100.04883	2.7
101.02453	37.5
113.02464	10.1
119.03480	3.1
125.02456	34.2
143.03482	4.9
161.04597	7.8
176.07294	1.4
195.13762	1.3
205.12260	3.1
223.13383	6.8
241.14471	15.2
246.40387	1.5
295.15518	7.4
385.18677	27.5
399.23846	9.6
417.25171	16.1
418.25284	2.5
427.19888	4.1
459.26334	1.9
481.29565	1.5
561.29956	10.6
562.29071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50502	0.8
55.01892	1.6
57.03456	100.0
59.01389	85.8
60.01724	0.8
61.98837	1.9
70.66384	2.1
71.01391	54.5
72.99303	1.4
73.02955	8.7
81.03449	2.0
83.01399	4.8
85.02968	14.7
87.00893	1.3
87.04524	1.7
89.02457	12.1
95.01395	2.4
96.04327	0.7
96.96030	0.9
99.00901	3.4
99.04533	95.6
100.04885	2.8
101.02457	37.9
102.02781	0.7
112.01594	1.1
113.02469	16.9
113.35575	0.8
119.03525	4.0
123.08228	1.0
125.02463	31.6
129.01935	1.1
143.03522	4.2
159.03029	0.9
161.04584	9.2
179.05626	1.9
205.12341	1.3
223.13428	3.8
241.14461	7.5
255.19749	1.2
295.15472	3.6
296.84824	0.8
385.18735	12.8
386.19131	1.0
399.23901	19.7
400.23932	0.9
417.25055	19.3
418.25430	1.4
426.29205	0.8
427.19781	2.0
459.25967	2.5
517.73199	0.9
538.02148	0.9
547.96808	0.8
561.29535	23.1
562.29285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15383	0.5
59.01387	0.7
61.98834	4.1
70.56559	0.6
70.56874	1.1
78.95911	6.2
80.49657	0.5
95.34264	0.6
151.63774	0.7
152.99576	2.5
168.04375	1.3
224.06856	1.1
242.07993	3.4
279.23315	100.0
280.20856	1.0
280.23666	6.5
299.76831	0.7
476.28046	1.4
504.30994	28.9
505.31262	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	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	5.8
69.01252	1.6
69.01583	8.6
77.29193	0.6
78.95911	23.5
79.98971	0.7
91.79786	0.6
116.11961	0.8
125.74094	0.7
137.63448	0.7
152.99585	5.0
168.04280	2.5
224.06972	8.1
242.08008	3.0
279.23303	100.0
280.23654	8.1
297.79691	0.9
311.99414	0.9
339.46014	0.7
476.27753	5.3
477.28098	1.0
504.30988	61.8
505.31256	6.3
561.25378	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	561.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	67.2
57.71627	5.4
59.01384	100.0
61.82365	5.7
61.98830	48.7
69.21873	31.6
69.22297	16.5
70.05518	5.2
71.01386	65.7
73.02952	23.4
74.02484	20.0
81.03442	6.1
82.02978	5.2
83.01402	10.7
85.02956	23.6
87.00896	13.3
89.02451	44.2
96.00926	15.5
96.95975	10.0
98.02492	20.1
99.00874	7.2
99.04538	59.9
100.92264	5.4
101.02451	61.1
113.02465	23.3
113.07222	6.0
114.00204	5.2
119.03534	12.6
119.04972	4.9
125.02438	40.8
127.05161	21.1
128.03546	30.5
129.10374	9.4
130.08748	34.4
131.03557	11.6
133.02934	12.6
134.03737	4.8
135.04530	17.7
138.09328	9.8
140.31984	6.6
143.03494	8.0
147.04521	5.3
149.04582	18.1
151.11511	5.1
161.02516	26.8
161.04585	23.1
179.03456	10.2
179.05756	8.6
181.09799	8.9
196.10963	7.4
201.09227	12.3
214.08650	6.7
219.10265	15.3
226.15639	19.8
237.11356	10.2
244.11336	10.3
255.12463	15.3
255.15898	6.2
260.07419	13.3
338.17099	30.8
339.17557	17.3
381.15512	8.8
381.62335	5.8
551.76440	9.7
561.30536	20.3
562.27240	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
59.51587	4.3
61.98831	13.7
67.47282	3.6
70.83511	4.8
70.83820	4.7
71.01373	8.0
84.27874	3.3
133.02962	30.5
135.04530	10.4
142.58739	3.9
154.12335	3.6
161.02467	100.0
179.03528	14.4
184.84180	3.5
189.79532	3.9
197.25153	3.3
243.08853	3.3
297.07700	5.9
346.57819	3.9
353.06549	14.5
383.07773	11.0
393.94669	4.0
529.65875	3.9
535.21710	23.0
562.78418	4.0
563.14209	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57346	1.5
52.65309	1.5
61.98825	2.5
70.76013	4.4
133.02968	28.1
135.04504	1.9
137.88564	1.4
161.02454	100.0
162.02817	3.5
180.90184	1.5
211.13391	20.5
238.80693	1.7
297.07666	4.2
325.07187	1.9
353.06650	5.4
382.16641	4.3
383.07751	4.8
400.17688	35.9
401.17734	2.5
442.18634	1.8
563.13892	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	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85270	0.8
59.01384	1.1
69.08727	0.9
69.09133	7.2
69.81431	0.8
80.19205	0.7
93.03468	0.9
94.92658	0.7
98.21822	2.0
113.58064	0.7
117.03459	5.3
118.15333	0.7
119.05033	1.2
135.04539	2.3
149.02419	1.9
159.04536	1.2
161.02478	3.1
163.03970	1.2
175.03966	2.0
177.05540	1.3
189.01938	1.1
189.05591	0.8
191.03531	2.3
203.03482	2.2
221.04530	0.9
227.89067	0.8
245.04460	1.2
248.02261	0.8
252.78229	0.7
267.06714	1.5
271.06387	0.8
281.04715	1.4
282.05380	2.6
283.06018	3.8
295.06076	5.6
296.06927	2.7
297.07690	19.3
298.08002	1.1
307.06198	2.5
309.07816	2.4
311.05640	3.0
323.05463	4.3
324.06326	1.7
325.07184	10.2
326.07584	0.8
328.05899	3.3
335.05658	2.1
337.07217	2.9
341.06601	1.0
351.05142	0.9
353.06644	36.2
354.07184	2.7
355.08221	1.6
365.06735	7.6
379.08234	1.1
383.07697	28.1
384.08154	2.4
395.07843	3.9
407.07767	0.8
413.08722	3.7
425.08850	4.4
443.09818	15.3
444.10287	1.0
473.10934	7.2
503.12106	2.6
519.08435	0.8
545.12408	1.2
563.14063	100.0
564.14496	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	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25121	2.6
69.25542	3.3
79.01902	0.8
79.65648	0.9
81.36810	0.7
82.00550	0.7
91.90913	0.7
93.03430	1.1
93.78358	0.7
117.03489	5.3
119.05019	0.7
126.29476	0.7
135.04529	2.3
149.02489	1.2
159.04605	0.9
161.02444	2.0
163.04030	1.2
175.04060	1.9
177.01955	1.2
177.05614	0.8
185.31882	0.7
191.03506	1.3
233.04289	0.9
245.86481	0.7
251.07230	0.8
282.05234	1.3
283.06134	3.2
295.06171	5.5
296.06909	2.1
297.07687	16.5
298.08258	0.9
307.06012	1.9
309.07791	2.2
311.05615	2.0
323.05606	2.8
324.06311	1.2
325.07281	5.5
328.05804	3.6
335.05701	1.3
337.07220	2.5
338.07220	0.8
353.06662	24.1
354.06839	2.4
355.08133	1.6
356.05496	1.3
365.06696	3.9
383.07724	20.5
384.08170	1.3
395.07620	2.1
413.08801	2.5
425.08817	2.3
443.09818	10.6
455.10269	0.8
461.85922	0.6
473.10892	14.1
503.11914	4.6
545.12946	3.1
563.14075	100.0
564.14435	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10086	0.4
69.43212	3.1
83.59961	0.4
93.03454	0.6
111.60939	0.4
117.03484	2.7
119.05002	0.5
135.04564	1.0
142.96892	0.4
147.04576	0.9
149.02431	0.7
159.27199	0.4
161.02470	1.6
163.03986	1.1
175.04037	1.2
177.05533	0.8
187.03885	0.6
189.01956	0.8
189.05595	0.7
191.03502	1.1
203.03474	0.7
221.04518	0.7
233.04547	0.7
245.04654	0.7
268.07556	0.9
275.05481	0.6
282.05231	1.4
283.06134	2.8
295.06143	3.6
296.06943	1.8
297.07681	11.3
307.06082	1.3
309.07672	1.4
311.05661	2.5
323.05533	3.0
324.06155	0.8
325.07233	8.0
328.05807	2.4
331.73840	0.5
335.05734	1.3
337.07059	2.7
341.06403	0.8
347.05600	0.6
353.06656	30.7
354.07120	2.1
355.08264	1.2
356.05444	0.9
365.06714	5.3
383.07736	25.5
384.08081	1.7
395.07813	2.1
397.09546	0.8
407.07678	1.7
413.08826	3.8
414.08939	0.6
425.08932	2.7
443.09863	10.5
444.10123	0.8
472.43268	0.6
473.10919	8.2
474.11234	1.4
503.11963	4.0
504.11926	0.7
545.13068	2.1
553.31317	0.5
563.14075	100.0
564.14349	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	563.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70674	2.5
81.68618	2.8
85.82629	2.6
89.83897	2.7
92.65495	3.3
121.78763	2.6
131.26418	2.9
156.85220	2.7
193.05016	5.0
238.06244	3.8
250.06412	4.3
253.08688	5.2
254.05717	4.4
266.05777	3.4
267.02814	3.8
277.05267	4.0
278.05945	4.4
279.06668	7.3
282.05316	11.9
294.05334	8.8
297.04648	3.1
297.07721	17.4
309.07700	10.8
312.10159	5.0
322.04822	8.9
323.05649	4.2
324.06546	6.0
325.07104	7.0
327.12402	6.0
336.06332	3.9
337.07153	45.2
338.08047	11.5
339.08682	5.0
341.06720	8.0
351.08829	5.2
352.09619	14.4
353.06625	32.6
353.10364	4.2
356.09042	12.0
367.08197	3.9
368.09198	9.8
371.11380	68.3
372.11951	4.0
383.11417	100.0
384.11829	8.3
463.58688	3.2
563.13971	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	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	4.5
57.03453	87.2
59.01379	80.2
70.06454	11.6
71.01393	23.5
73.02949	16.9
73.08495	2.9
81.03465	3.1
83.01391	5.9
85.02940	7.1
87.04482	4.1
89.02444	19.8
98.22587	3.2
99.04529	100.0
100.04847	3.2
101.02442	46.2
103.44252	2.9
109.02959	12.0
111.21054	2.6
113.02475	12.6
119.03516	9.1
123.04490	6.1
125.02445	58.8
125.06091	8.9
131.03528	4.9
137.09677	5.2
137.66438	2.9
139.07687	3.0
143.03500	5.5
144.37131	2.9
149.06052	2.9
151.07701	3.7
161.04533	11.6
165.53708	2.6
167.07144	4.8
179.05595	8.2
179.10732	21.2
193.12157	2.8
221.06679	6.2
221.11809	3.8
239.12991	15.2
345.94302	3.3
401.18195	3.6
419.19440	3.4
563.14185	8.8
563.23352	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	563.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25880	0.7
55.01901	0.9
57.03452	3.5
59.01387	12.3
61.98840	4.9
66.88225	0.7
68.92800	0.7
69.03436	0.8
71.01388	18.3
72.99301	1.7
73.02946	4.3
75.00877	1.2
83.01405	5.1
85.02959	10.5
86.00127	1.3
87.00885	100.0
88.01226	1.6
89.02444	3.0
95.01416	1.2
97.02992	1.0
99.00903	2.6
99.04527	1.4
101.02462	12.6
111.00896	1.9
112.01688	1.0
113.02454	6.3
117.03475	1.6
119.03499	0.6
124.01672	1.3
125.02431	1.8
129.01939	1.0
130.99887	3.6
133.02974	0.8
135.04544	1.3
138.03259	5.3
161.02440	2.4
161.04597	2.2
175.04054	0.9
197.11929	0.7
253.09166	1.1
295.22885	3.0
296.06747	1.2
297.07773	4.0
307.05984	0.9
312.54883	0.7
323.05624	1.2
325.07193	2.0
327.21841	3.5
337.07309	1.5
353.06732	7.8
365.06647	1.4
374.81418	0.9
383.07745	7.0
413.08975	1.4
429.28546	8.1
431.26938	1.4
439.27069	16.1
443.10016	2.0
457.28159	4.9
458.28708	0.7
459.26099	7.9
473.11020	2.6
483.26050	26.4
484.26596	2.4
501.27130	5.6
503.12250	1.0
503.25171	1.1
545.26147	3.9
563.14087	17.3
563.27167	52.2
564.14349	3.0
564.27747	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	563.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21589	1.9
70.88348	2.9
70.88689	3.8
78.95905	23.4
128.90170	2.4
152.99564	7.5
161.07231	1.8
161.54083	1.7
162.58772	1.8
195.34500	2.0
224.06958	8.1
225.11964	1.7
244.88832	2.0
280.23651	2.3
281.24866	100.0
282.25244	8.9
297.53824	2.0
313.15683	2.0
386.00183	2.1
445.38281	1.9
506.32544	70.0
507.32803	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	563.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92284	2.5
70.56853	5.4
78.95880	13.2
101.86658	1.9
106.24583	2.2
115.78580	2.7
151.64899	2.5
152.99571	7.0
167.13542	2.1
258.84818	2.6
279.23267	3.4
281.24857	100.0
282.25201	4.7
298.40497	2.4
358.84229	2.5
481.24786	2.4
506.32614	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.2
59.01387	62.7
61.98839	100.0
69.37591	30.3
69.38014	11.9
71.01385	73.2
73.02945	36.7
78.01150	5.3
83.01400	21.0
85.02967	17.2
87.00894	10.8
88.98801	15.2
89.02458	56.1
92.51612	5.3
96.95992	6.1
97.02960	23.1
98.22503	6.7
101.02441	80.1
113.02443	28.7
115.04043	7.1
119.03503	22.5
125.02487	12.4
143.03488	11.9
153.12875	54.7
161.02448	16.3
161.04555	79.0
163.79404	5.3
179.03429	6.9
179.03964	6.4
179.05609	56.1
179.10799	20.6
194.91835	5.4
197.11835	71.6
221.06670	13.7
221.69061	5.2
245.06689	5.9
263.07681	17.8
272.46075	5.8
298.08032	9.5
323.10046	11.7
328.22183	6.6
354.07080	14.4
384.08185	10.2
521.22296	20.0
564.14142	49.7
565.14685	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	565.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	57.6
59.01393	99.9
61.98825	41.5
71.01374	66.3
71.32718	27.1
72.99277	23.7
73.02938	20.7
74.02486	18.8
81.03478	14.9
85.02930	17.7
89.02448	56.6
94.71227	16.3
99.04512	36.2
101.02446	44.6
113.02438	32.6
119.02634	12.8
119.03513	35.8
119.05064	25.1
125.02455	40.6
127.86758	15.6
128.03581	16.8
130.08713	15.2
135.04552	42.0
146.81573	14.1
161.02420	43.2
161.04529	25.1
163.03996	33.7
179.03493	36.6
183.93901	17.1
186.71204	13.1
205.12381	38.0
206.39514	15.2
355.07056	19.5
385.08618	20.2
445.20895	20.6
468.85129	16.0
517.07147	16.2
565.14905	100.0
565.23474	28.0
566.14752	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	565.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38873	2.3
58.00590	2.5
59.01385	83.1
62.50293	2.2
69.06304	21.7
69.06945	2.3
71.01391	56.0
72.31075	2.1
72.99319	3.2
73.02946	5.2
80.31183	2.2
83.01397	4.6
85.02957	13.0
87.00864	2.4
89.02454	64.4
89.70036	2.1
95.01386	4.4
99.04514	4.5
101.02448	41.5
113.02463	23.9
119.03534	28.7
125.02418	2.2
131.03551	4.3
143.03493	6.5
143.04652	2.4
161.04590	14.1
161.09749	9.4
179.05640	61.5
179.10803	40.2
202.89328	2.6
221.06728	11.9
223.09784	100.0
224.10115	4.8
226.19633	2.4
265.10959	6.9
301.59286	2.6
341.10663	2.5
359.16983	2.8
385.14883	11.0
403.16107	56.7
403.21017	4.0
404.16080	2.9
565.14111	11.7
565.21661	6.1
565.30231	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	565.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03449	2.4
58.00588	0.9
58.03817	0.4
59.01389	9.8
61.98838	4.6
68.99819	0.6
69.03465	0.9
69.26440	1.1
69.26841	2.7
71.01389	16.2
72.99319	1.7
73.02956	6.0
83.01398	4.2
85.02962	10.7
86.00130	0.8
87.00889	100.0
88.01217	1.1
89.02472	1.2
95.01377	2.2
97.02958	0.9
98.22441	1.0
99.00889	2.2
101.02452	13.1
111.00917	0.8
113.02464	6.3
121.14846	0.4
124.01671	0.7
125.02413	1.1
130.99889	2.9
137.55762	0.4
143.03545	0.9
154.44341	0.4
159.03035	0.7
161.02492	0.6
161.04591	1.8
168.22713	0.4
170.34926	0.4
235.60640	0.5
251.23888	0.6
297.24390	3.5
300.93384	0.5
301.12320	0.4
313.39197	0.4
323.22067	0.7
431.30286	8.3
432.30301	0.7
433.28232	1.2
441.28589	15.6
442.29025	1.2
459.29700	4.7
460.30005	0.5
461.27640	8.8
462.28445	0.6
485.27591	27.5
486.28210	2.9
503.28696	5.0
504.29504	0.6
529.26544	0.7
547.27740	5.4
548.27844	0.7
565.28680	59.7
566.29224	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	565.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
56.50901	1.2
56.65422	1.1
57.03466	3.1
59.01382	11.5
61.98849	6.6
69.28693	10.3
71.01384	19.2
72.99298	1.7
73.02951	5.6
78.95908	5.9
83.01382	3.9
85.02962	8.9
86.00106	2.4
87.00883	100.0
95.01379	2.2
96.96928	2.3
99.00883	2.1
101.02446	11.3
113.02469	5.2
120.09653	1.2
130.99870	3.4
133.02905	1.1
161.02463	3.3
161.04579	2.2
251.23871	1.9
297.24323	4.0
431.29953	9.4
433.28290	1.8
441.28595	17.4
442.28958	1.8
459.29767	3.8
461.27512	9.4
462.27676	1.4
485.27563	28.9
486.27985	3.4
503.28601	5.3
529.26971	1.3
547.27734	4.6
565.28644	68.4
566.28986	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	566.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53355	0.7
56.59141	0.7
59.01390	1.3
61.98835	100.0
70.10173	2.8
71.01400	1.2
73.04082	0.7
84.56472	0.6
88.98833	2.3
89.02479	1.0
91.90073	0.7
98.22415	1.3
101.02495	1.1
112.32751	0.6
118.67996	0.6
119.03546	0.7
125.02466	1.3
133.02950	4.1
134.87560	0.6
135.04549	5.4
137.02409	1.0
141.08792	0.6
161.02464	36.3
162.02843	1.8
179.03516	10.6
203.03580	1.3
221.04625	1.0
251.10437	2.1
333.72385	0.7
341.08789	27.2
342.09143	1.5
342.97971	0.8
430.30237	0.7
497.63419	0.8
503.14182	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	566.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01379	3.6
60.50080	1.3
61.98835	51.1
65.17342	1.3
68.67395	1.5
71.01391	4.7
71.28156	1.4
71.53267	1.5
89.02457	2.5
101.02448	2.3
113.02499	1.7
133.02972	23.0
135.04536	21.8
136.04955	1.4
161.02458	100.0
162.02814	4.1
163.04160	1.6
166.08751	1.3
177.05553	2.5
179.03517	41.4
180.03906	1.8
191.17130	1.4
201.04669	1.6
203.03564	3.2
221.04564	2.3
272.06766	1.5
301.10345	1.5
305.74393	1.4
311.93164	1.6
315.12384	3.0
316.12698	5.9
323.07608	3.8
341.08783	40.9
341.95538	1.4
342.09143	2.6
399.90506	1.6
503.14053	34.3
504.14548	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	567.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.6
71.01381	4.6
71.40061	5.6
81.03447	8.0
83.01392	9.2
89.02428	3.9
93.03454	5.0
95.05042	5.7
97.02977	5.6
107.14401	4.0
109.02963	4.7
111.04516	5.3
113.02416	4.6
119.05023	11.6
121.02975	5.6
123.04530	17.2
125.02455	13.7
137.02464	9.7
137.06105	6.3
139.04021	12.0
148.03554	4.1
148.23782	4.3
150.03200	3.9
151.04065	7.6
165.05627	10.9
167.03496	39.5
179.03455	7.9
189.05548	5.6
193.05080	7.6
197.04575	8.1
209.04573	25.7
212.85860	3.9
221.04572	5.8
239.05652	15.8
315.08780	21.7
327.08771	11.7
345.09912	8.6
357.09811	94.4
387.10886	100.0
417.11987	41.1
429.11969	14.0
447.12891	14.5
459.13147	8.2
477.14020	11.7
489.14130	5.8
567.17206	5.1
567.25928	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	567.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	31.4
69.12424	57.9
69.12851	51.7
71.01381	21.9
89.02437	34.2
101.02464	20.3
112.85106	11.2
113.02467	13.4
115.52814	11.1
119.03523	17.6
148.90950	12.8
179.05615	69.5
217.25797	11.7
224.75383	11.2
237.13669	14.2
332.69153	13.8
357.10129	13.8
390.49097	11.5
444.18268	13.9
479.77917	11.8
561.60065	13.5
567.22015	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	567.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
60.99314	15.6
61.98844	10.6
65.33803	1.6
69.01723	20.0
74.71228	1.6
78.38669	1.8
80.09283	1.9
85.02958	1.9
87.00861	2.4
88.98820	100.0
89.02457	22.5
98.21726	3.6
101.02434	3.0
104.37188	1.6
121.99443	1.6
172.90952	1.7
193.05084	2.4
317.21619	1.9
567.13379	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	567.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03180	2.3
57.03450	35.7
59.01381	48.7
61.98832	11.0
69.03117	8.5
69.03526	4.0
71.01384	52.5
72.99290	2.6
73.02956	10.1
73.04035	1.1
78.95906	1.2
81.03470	1.6
83.01403	9.4
84.55750	1.0
85.02952	23.1
85.47310	1.0
87.00893	2.8
88.98800	1.6
89.02444	29.4
91.45043	1.1
92.04275	1.0
95.01379	6.3
97.02952	2.6
99.00884	3.8
99.04517	12.3
101.02450	45.3
101.03123	2.2
102.32409	1.5
113.02452	49.8
114.02789	1.5
119.03474	8.7
119.04099	1.0
119.05038	1.8
120.99664	1.9
125.02448	14.7
126.67290	1.2
131.03520	2.5
135.04535	2.5
143.03482	7.1
155.03464	2.1
159.03009	1.7
160.94507	1.1
161.02489	2.2
161.04558	24.7
163.03973	1.7
165.05322	1.0
167.03568	1.1
179.03629	1.8
179.05608	10.8
203.05646	5.3
261.13431	3.4
303.14294	1.5
369.22873	2.5
405.17429	1.8
417.99405	1.1
423.18726	100.0
424.19193	6.9
424.24316	1.4
465.19778	16.1
466.19910	1.9
468.91449	1.2
473.77563	1.3
567.22662	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	567.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	46.5
61.98839	5.1
63.70832	3.1
69.03253	39.3
71.01386	53.6
73.02946	7.8
78.83198	3.4
83.01392	5.8
85.02959	17.1
89.02449	45.7
98.22696	3.7
101.02457	40.0
113.02457	23.9
119.03488	17.8
128.28857	3.6
131.03468	6.2
143.03496	6.0
158.82599	4.0
161.04576	14.0
179.05592	31.2
187.36240	3.4
193.88504	3.5
221.06511	5.5
259.74203	4.0
294.04544	3.7
344.91187	3.7
345.19141	8.7
372.58344	3.7
406.26282	4.0
448.87943	3.7
475.54584	3.9
507.24435	100.0
508.24847	7.6
518.58337	4.2
549.23535	3.9
589.49683	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	567.318
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
55.01884	1.1
57.03450	5.2
58.00602	1.1
59.01385	15.8
61.98400	0.6
68.99825	1.0
69.23059	3.3
69.23466	1.6
71.01389	20.8
72.99310	8.6
73.02959	1.8
75.00880	5.9
78.47584	0.6
83.01390	1.6
84.02157	0.7
85.02959	43.3
86.03265	0.6
87.00888	5.5
87.11204	0.6
89.02454	4.6
95.01395	11.6
99.00890	12.5
101.02448	1.5
103.00393	7.2
111.00892	0.7
113.02463	100.0
114.02771	0.9
115.00362	2.2
117.01961	3.6
129.01961	3.1
131.03514	1.4
133.01448	1.5
139.00365	1.0
157.01440	1.1
175.02498	38.2
176.02815	0.8
193.03549	14.6
383.85504	0.7
391.28568	74.6
392.28870	5.8
409.29715	3.2
534.93091	0.8
567.31787	50.0
568.32196	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	567.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09090	7.4
69.09493	1.5
71.01392	1.8
75.59669	1.0
85.02966	1.6
101.02488	1.0
105.62549	1.1
105.89295	1.0
108.02187	12.5
113.02454	1.2
121.02985	6.4
121.74580	0.9
122.03725	2.2
123.88039	1.1
138.85298	0.8
141.77351	0.8
161.04587	2.2
184.51787	0.8
229.86662	1.0
239.05739	0.9
288.07480	0.9
342.21896	0.8
355.73938	1.0
357.09763	2.0
360.25397	1.2
361.26172	10.6
362.27011	100.0
363.27261	10.0
387.10840	2.8
396.14755	0.9
410.33771	0.9
523.27570	2.2
523.78113	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	567.329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.4
75.30556	1.3
83.05019	3.3
89.06373	1.4
108.02188	12.8
121.02992	7.3
161.04602	1.8
224.17601	1.6
361.26215	12.2
362.27026	100.0
363.27554	8.6
467.01123	1.6
567.46082	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	568.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53388	0.6
61.98837	100.0
68.53281	0.6
78.95029	0.6
85.08530	0.6
85.68259	0.5
99.19080	0.6
105.26292	0.6
229.23180	0.9
244.50815	0.7
281.71371	0.6
325.73248	0.8
331.99155	0.7
389.76715	0.8
422.28848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58534	0.5
61.98836	100.0
69.56641	0.4
69.83027	2.0
150.43144	0.4
152.98590	0.5
180.04391	0.5
304.11871	0.4
342.86890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17413	1.2
52.16878	1.1
63.66926	1.0
66.34868	1.1
69.15977	1.2
71.31930	1.9
76.47303	1.2
78.46536	1.3
96.96004	1.6
105.03498	1.9
115.08772	3.1
130.08746	21.5
133.02948	12.9
137.40720	1.2
161.02457	2.4
177.01923	5.7
185.16588	17.0
229.15585	100.0
230.15921	4.8
240.29471	1.2
481.43045	1.4
569.19006	10.7
570.19324	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	569.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03450	30.3
58.00607	0.9
59.01385	30.5
61.98824	3.4
69.03452	0.7
70.66540	1.8
71.01385	31.6
72.99303	2.3
73.02953	10.8
78.95914	0.9
83.01386	8.1
85.02949	14.6
87.00888	2.6
89.02446	8.6
95.01391	2.3
97.02984	0.8
97.96692	0.8
99.00863	4.8
99.04512	11.1
101.02449	44.6
102.02800	1.0
103.01508	1.6
113.02454	17.2
115.00394	1.2
119.03498	3.1
125.02452	9.5
131.03520	0.8
143.03462	1.5
146.06110	1.0
159.02989	1.4
161.04553	13.2
169.46068	0.7
179.05586	1.3
183.18329	0.9
195.37650	0.7
209.22871	0.8
222.70549	0.7
263.15012	20.5
264.15326	1.1
305.16089	3.3
313.03534	0.7
407.19125	4.6
409.18970	0.8
417.19910	0.8
425.20316	100.0
426.20605	6.6
467.21335	14.0
569.24377	14.4
570.24463	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	569.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47022	0.2
57.03433	0.4
59.01377	0.9
69.44174	1.1
69.44582	0.4
71.01398	0.5
73.02943	0.6
75.00882	1.5
89.02449	0.5
98.21635	0.2
99.00871	0.3
99.04529	0.4
99.92588	8.3
100.92574	0.2
101.02467	0.5
116.92873	100.0
117.01954	1.8
117.92886	3.9
128.03566	0.3
179.56172	0.2
183.14493	0.2
219.10350	0.4
444.24695	0.3
536.62891	0.2
539.16443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
69.62351	2.9
71.01381	0.7
82.06617	2.2
82.99152	0.6
84.12942	0.6
89.02429	1.0
90.41452	0.7
94.44600	0.6
101.02441	0.7
112.07704	0.7
114.09222	0.7
117.03472	8.1
119.05039	3.2
129.10323	2.9
130.08751	27.8
145.02963	55.9
146.03299	1.2
161.06091	0.9
163.04030	6.9
182.15459	2.7
187.04027	2.1
199.18153	17.4
205.05087	1.0
224.99767	0.6
230.88103	0.7
243.17149	100.0
244.17461	4.6
259.04358	0.6
259.07208	1.0
265.07211	1.5
313.08261	1.1
325.09274	14.0
326.09729	1.0
393.71634	0.8
569.16656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09125	0.4
52.38215	0.5
60.03883	0.5
61.98834	100.0
63.95252	0.4
69.03397	0.4
70.66549	1.3
78.52937	0.5
84.07628	0.4
90.49738	0.4
119.71514	0.5
120.66152	0.5
155.68610	0.5
208.58821	0.5
311.34720	0.5
333.23129	0.6
352.31989	0.5
403.37314	0.7
492.35773	0.9
570.33563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15852	0.8
57.03442	1.8
59.01387	9.3
59.25840	0.8
60.58041	0.7
61.98837	10.7
67.69587	0.9
71.01391	4.7
71.32729	1.6
73.02932	0.9
73.04072	0.9
78.74583	0.8
82.02981	1.3
88.98830	2.2
89.02445	1.0
93.03479	0.9
96.00929	3.1
96.95994	4.0
99.04533	1.6
101.02458	1.9
108.02194	10.2
109.01770	1.7
109.05193	0.9
113.02388	0.8
113.03582	1.8
114.05626	2.7
119.44516	0.7
121.02974	10.7
122.03744	2.1
125.02464	1.1
129.10396	1.9
130.06238	2.6
130.08775	1.3
135.04590	1.3
150.03285	1.3
160.67223	0.7
161.02490	0.8
161.04575	2.2
164.07175	1.5
165.10329	4.6
166.08754	9.5
167.08163	1.4
169.07361	1.7
183.11342	1.2
191.08246	0.9
208.10861	2.2
209.09329	5.3
210.07663	1.8
226.11949	4.0
227.10455	1.5
227.13960	2.2
244.13040	2.2
336.41071	0.8
342.13156	1.3
346.23935	1.8
347.24680	22.8
348.25461	100.0
349.25906	7.2
390.26465	1.3
420.17395	1.0
437.20105	1.0
474.89508	0.8
494.25052	0.8
526.23212	2.9
535.24500	1.6
552.26660	3.4
553.25647	1.1
570.27490	7.3
571.24207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60387	0.3
59.01389	0.7
61.98835	100.0
65.30799	0.3
65.49195	0.4
69.08176	1.7
69.08598	2.3
71.01392	0.6
75.24998	0.3
78.95919	0.6
101.02475	0.4
101.70583	0.3
161.02524	0.6
168.14975	0.5
403.46777	0.5
468.27954	0.5
520.16846	0.4
532.20209	0.4
570.30579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31928	0.4
59.01388	1.2
62.87618	0.4
69.32937	3.0
78.95908	0.5
84.32382	0.5
87.00890	100.0
88.01211	1.0
91.66765	0.5
93.12146	0.4
102.94411	10.4
111.00873	3.0
112.96478	0.4
113.00134	0.6
124.96507	0.9
139.63184	0.4
142.96605	1.2
142.97556	12.0
152.01689	0.4
161.49796	0.5
166.97543	10.3
168.95486	4.8
184.97501	1.2
184.98721	1.3
186.96524	2.0
191.02048	2.3
202.98854	2.0
203.81267	0.4
210.96513	0.7
228.97578	92.0
229.97879	1.5
245.00050	0.5
246.97551	0.5
253.30798	0.5
274.70102	0.5
288.98944	2.1
383.15796	0.6
420.64334	0.5
434.78049	0.5
468.53836	0.4
525.90295	0.5
591.39990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44254	0.3
52.15641	0.2
57.03450	1.3
59.01389	1.5
61.98834	100.0
64.42347	0.2
68.95245	0.3
69.14335	2.5
71.01401	0.6
71.23998	0.3
77.74490	0.3
83.01395	0.4
89.02463	0.4
90.92831	0.2
96.96094	0.3
99.04551	0.9
101.02480	0.7
113.02522	0.5
116.92884	0.5
118.92695	0.5
125.02461	0.9
128.03598	0.4
135.04564	0.4
139.66953	0.3
143.03557	0.4
161.02423	0.3
172.22206	0.3
181.37770	0.3
182.38733	0.3
212.00647	0.3
305.25348	0.3
347.24139	0.3
545.22687	0.5
572.33789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.2
57.90042	2.3
59.01381	22.7
61.98833	60.5
71.01375	12.6
71.33339	3.3
72.99295	3.0
73.02944	4.2
73.04072	10.7
74.02478	3.1
74.14250	2.4
79.95741	3.2
82.03017	4.2
82.06639	3.9
85.02957	6.1
85.04079	2.5
88.98824	2.9
89.02446	5.9
92.84252	2.3
96.00909	33.2
96.96019	29.0
98.02484	9.8
99.02008	7.2
99.04540	11.5
101.02459	12.1
109.01667	2.5
109.02937	3.3
110.02478	15.1
111.02077	3.7
113.02437	7.2
113.03572	27.4
114.05611	5.3
114.93565	2.0
115.08816	5.6
115.92265	2.8
116.07207	2.4
119.03541	3.2
121.02990	4.1
121.04088	2.8
122.03758	3.7
123.04527	3.6
125.02470	9.3
125.07186	3.7
127.05116	6.8
128.03552	6.1
129.10335	5.2
130.06242	6.2
130.08751	79.2
131.04611	3.0
135.04547	7.4
140.07156	5.9
143.11905	4.2
146.03720	4.3
149.02475	3.8
150.03247	5.6
154.09894	2.9
155.04663	3.2
155.08234	7.3
161.02493	7.1
161.04575	5.6
165.05579	7.8
165.10301	4.5
166.06250	3.7
166.08719	8.9
167.04538	3.3
167.09148	3.1
169.09897	2.8
175.04060	3.2
179.05702	4.4
179.07146	4.2
192.04164	3.2
195.06613	4.0
197.16647	3.4
199.18152	16.3
205.16281	3.2
210.05206	5.4
227.07866	3.9
228.17253	3.7
243.16925	4.9
244.13083	3.1
261.16034	3.0
280.12967	3.6
298.25046	10.1
323.16199	4.4
348.25229	3.5
349.25806	10.8
355.27136	4.8
361.19067	5.9
373.18805	28.5
399.25986	5.5
456.28452	7.3
527.22070	4.9
527.31653	4.7
536.27264	100.0
537.27441	8.9
541.33484	4.5
553.29999	72.6
554.29431	8.5
555.38269	3.3
571.31818	17.1
572.32336	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	571.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62573	0.6
53.16415	0.6
57.03427	0.6
59.01371	1.9
61.98822	1.4
66.03500	0.9
67.70338	0.7
69.29332	2.0
69.29758	3.3
71.73730	0.7
73.04070	10.5
79.82005	0.7
81.02193	3.7
82.02975	2.8
83.02518	13.2
84.00429	1.0
84.00915	12.4
96.00903	8.1
96.04551	0.8
98.02478	14.2
99.04520	1.5
110.02477	7.2
112.04049	4.1
112.07672	1.2
116.07182	34.5
116.74201	0.6
122.04877	1.4
124.07687	22.1
125.02402	0.8
125.07217	1.5
127.08778	1.0
129.10364	15.2
139.08781	4.5
141.10255	1.0
142.05096	1.1
152.07133	0.9
154.01505	1.2
155.08266	10.6
156.06677	0.7
163.08797	0.9
165.10335	4.8
167.04555	0.6
167.05730	3.3
169.09857	4.1
173.09274	1.5
178.11047	1.7
186.12463	1.7
191.08272	3.5
194.06865	0.9
207.15015	12.9
208.15265	0.8
209.09335	10.5
224.12711	1.1
224.17674	20.5
225.18050	1.0
227.10324	0.7
242.18748	14.4
253.08295	93.6
254.08633	3.9
254.18723	1.2
271.09238	1.5
281.19824	34.4
282.20169	1.6
299.20892	29.4
300.21240	1.3
545.12988	1.1
553.29926	100.0
554.30334	10.7
571.31018	22.5
572.31006	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	572.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99971	0.8
53.34270	0.7
53.73067	0.8
57.03447	8.8
59.01377	6.9
61.27020	0.7
61.98842	3.7
69.21994	5.4
69.22425	1.4
69.94034	0.9
71.01389	5.2
73.02941	2.1
73.65163	0.7
77.46795	0.7
83.01421	1.3
85.02931	2.0
89.02450	2.6
91.05550	1.5
92.19596	0.7
93.03466	1.1
96.96015	2.0
99.04530	8.6
101.02435	6.8
109.55129	0.7
113.02428	1.0
117.03485	6.3
119.03522	1.2
119.05020	1.4
123.04522	1.4
125.02440	5.0
130.08727	1.5
131.58127	0.8
133.03033	0.9
135.04507	2.8
137.02341	0.7
145.02959	2.1
149.02477	1.2
149.06071	0.9
151.08810	0.7
159.04454	1.0
161.02402	4.8
161.04529	1.6
163.04025	2.3
175.03967	2.8
177.01944	1.8
177.05542	1.6
179.03468	2.6
179.05688	0.9
189.01942	1.1
189.05800	0.9
191.03566	1.5
191.10797	5.7
197.06093	1.3
203.03496	2.1
205.05119	0.9
207.02988	2.2
224.08350	0.9
231.02969	1.0
231.13966	1.0
235.07611	1.0
251.07080	1.0
257.04373	0.7
267.06735	2.1
279.06842	1.0
281.04501	2.1
282.05411	4.3
283.06088	8.8
284.06821	0.8
288.22198	0.8
294.05280	1.8
295.06125	11.8
296.06845	13.9
297.04309	1.6
297.07654	21.0
298.08133	1.5
307.06161	3.1
309.07758	3.4
311.05661	10.7
321.07858	1.0
322.04800	1.6
323.05634	9.8
324.06329	2.2
325.07193	10.2
326.07590	1.1
328.05975	4.2
335.05469	2.1
337.07208	5.8
339.05042	1.6
341.06726	3.9
351.04984	5.3
352.05688	1.0
353.06689	47.8
354.07098	4.3
355.08224	2.1
356.05161	1.9
363.05191	1.2
365.06635	9.2
369.06110	9.0
379.08215	1.3
381.06171	3.9
383.07739	48.7
384.07846	4.0
395.07797	2.5
399.07196	5.7
407.07617	1.6
413.08771	1.5
425.08871	9.6
426.09052	1.2
441.08395	3.6
442.09058	3.1
443.09860	51.2
444.09827	5.1
455.09787	6.7
456.10080	1.1
457.08002	1.2
459.09378	9.5
460.09741	1.7
467.09753	1.2
473.11392	0.8
485.10950	1.7
527.11938	5.7
528.11926	1.3
545.13043	100.0
546.13409	11.2
572.33649	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	572.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.3
59.01393	10.7
61.98830	16.1
70.62630	3.3
70.63004	3.1
71.01392	10.2
73.02957	3.4
85.02964	2.8
89.02448	4.4
93.03458	1.9
93.18206	1.5
99.04539	7.8
101.02427	8.8
113.02462	3.2
117.03483	5.9
119.03555	1.9
123.04601	2.3
125.02457	4.0
129.10355	2.1
133.02933	4.4
135.03629	1.6
135.04466	8.5
138.28731	1.5
145.02959	2.4
150.03249	1.9
161.02449	11.5
161.04564	3.9
163.04033	2.9
175.03986	4.2
177.01759	2.4
179.03506	5.1
258.54181	1.5
268.07388	2.2
282.05411	2.6
283.06055	9.2
295.06155	9.1
296.06851	12.8
297.07654	17.9
307.06110	3.6
309.07706	4.3
311.05652	9.5
323.05655	8.4
324.06497	2.1
325.07278	7.0
328.05911	4.4
337.07101	3.3
339.05191	2.0
341.06619	3.6
351.05017	5.0
353.06677	39.6
354.07071	2.8
365.06741	9.0
369.06171	7.9
379.08109	1.9
381.06155	2.0
383.07703	40.1
384.07938	3.7
399.07397	1.7
410.21075	3.7
425.08865	3.0
429.07535	1.7
441.07968	3.1
442.09058	2.1
443.09833	49.4
444.10312	3.2
455.09671	3.5
457.07022	1.7
459.09274	7.4
527.11951	5.9
545.13055	100.0
546.13196	11.4
572.26447	6.9
572.34692	2.8
573.26294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68410	0.7
55.35186	0.6
57.03453	0.7
59.01368	1.6
61.98822	1.3
68.53246	0.8
71.01389	1.6
89.02478	0.8
93.03480	0.9
96.96024	0.8
98.02531	0.8
98.22599	1.3
99.04543	1.1
101.02440	0.8
103.01895	0.8
103.71043	0.8
117.03472	4.7
119.05026	2.0
121.03001	1.0
121.67572	0.7
127.87713	0.6
135.04539	2.0
149.02470	2.1
155.08249	0.8
161.02463	1.9
163.04037	2.0
165.01917	0.9
175.04076	1.7
177.01999	1.6
177.05515	1.4
189.02010	0.9
189.05504	0.8
191.03398	1.7
197.38234	0.7
203.03467	1.2
207.03018	2.8
224.17760	0.8
233.04594	0.8
249.04158	0.8
251.07063	0.9
253.05359	0.8
253.08369	3.3
254.06108	0.9
254.08693	1.4
281.04550	2.8
282.05334	2.0
283.06116	9.8
295.06226	8.6
296.06894	5.4
297.07724	15.4
307.06085	2.7
309.07681	2.7
311.05527	7.8
314.04599	0.8
322.04962	1.2
323.05640	8.1
324.06210	2.2
325.07172	7.3
328.06052	2.8
335.05530	1.8
337.07230	3.2
339.05237	1.8
341.06689	3.2
351.05072	4.8
353.06711	32.3
354.07080	2.9
355.07974	1.3
356.05450	1.1
363.05115	1.0
365.06787	4.4
369.06152	12.7
370.06735	1.2
381.05975	3.6
383.07776	25.3
384.07977	1.6
395.07825	1.1
399.07248	9.6
407.07809	1.1
411.07217	1.4
425.08945	2.9
441.08292	2.4
442.08612	1.3
443.09811	20.7
444.10019	2.0
455.09879	4.2
457.07813	1.4
459.09402	11.4
460.09897	0.9
485.10876	1.0
527.11951	3.4
545.13068	100.0
546.13446	11.9
553.29803	1.4
554.30396	3.6
572.14227	5.0
572.31500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	75.1
59.01388	100.0
61.98845	21.1
66.28775	3.4
69.39287	12.6
69.39706	11.3
71.01389	54.4
73.02957	25.9
73.38556	3.2
81.03466	5.8
83.01402	12.6
84.00944	4.7
85.02959	13.3
87.00893	8.1
89.02473	32.3
95.01394	4.9
96.00942	7.5
99.00955	4.6
99.04530	96.1
101.02464	73.4
112.57278	3.6
113.02467	24.9
116.92943	4.1
119.03526	13.3
123.04546	12.3
125.02470	68.1
127.05155	13.3
128.03555	32.9
129.10310	5.2
130.08737	9.3
130.49847	4.1
135.04539	8.4
143.03528	8.7
149.04561	3.6
149.09686	5.8
153.09294	4.3
161.04637	14.5
165.09134	4.0
169.35448	3.7
173.34608	3.5
177.12840	8.6
178.94383	3.9
179.03522	11.3
179.05641	17.3
179.10808	25.7
184.07362	4.2
197.12880	4.0
203.10762	14.6
210.07813	4.0
213.60152	3.6
221.06660	5.7
221.11819	17.7
222.12421	5.1
258.49243	4.5
304.06763	3.6
383.17114	19.3
401.18167	61.9
443.19421	22.3
450.10971	3.9
483.22543	5.1
486.15137	3.5
501.23621	4.3
528.29871	6.1
545.22455	73.4
546.22559	5.7
547.43304	4.0
554.28369	7.6
572.28943	34.5
573.30066	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	572.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47827	0.4
59.01381	5.0
63.62058	0.4
69.61101	0.8
69.61515	1.9
71.99235	0.4
74.19218	0.4
78.95921	1.0
82.23294	0.5
84.08198	0.7
90.97157	1.5
99.54069	0.4
100.58955	0.5
110.03602	0.7
118.96651	0.5
127.96548	0.4
130.08752	100.0
131.09096	1.9
134.04776	0.9
173.28246	0.5
174.99150	0.5
175.02556	0.5
187.20911	0.4
188.07791	0.7
194.14285	0.5
199.99396	0.5
201.02623	0.9
213.05605	0.5
217.00291	1.9
230.03395	0.6
230.08871	1.0
244.04956	1.4
246.06456	0.7
272.09970	3.0
288.07660	10.4
289.07898	0.6
299.14746	0.7
301.16296	2.3
315.12402	0.7
343.17297	10.1
344.17505	0.6
359.15015	54.5
360.15369	2.6
414.24634	5.3
415.24783	0.7
421.57407	0.4
430.09116	4.9
430.22348	25.6
431.09024	0.9
431.22781	1.3
432.67633	0.5
441.15366	0.5
441.21475	1.0
459.15115	0.6
469.33054	0.5
512.16882	0.7
572.23511	30.8
573.23682	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	573.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
81.77784	37.8
95.04169	33.8
95.62225	42.1
165.05600	88.5
195.06602	100.0
230.87218	43.7
288.19080	40.2
411.10956	55.3
578.37524	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
57.03452	95.7
58.00593	2.8
59.01383	100.0
61.98838	5.7
64.98774	2.3
71.01385	56.8
71.32758	3.3
72.99300	3.1
73.02956	41.9
73.04050	2.4
74.02454	7.1
78.55040	2.3
78.91871	2.8
79.05534	4.5
81.03459	6.4
82.02950	2.8
82.99645	2.4
83.01377	14.7
85.02950	10.6
87.00856	3.0
89.02449	39.2
92.15189	2.2
95.01406	3.3
96.00905	2.9
96.96001	2.5
97.06591	3.7
99.00879	3.6
99.04527	93.9
101.02453	69.7
101.03114	3.2
108.16807	2.3
109.02960	2.1
113.02483	27.5
113.03241	3.6
113.03586	4.6
113.06076	3.9
119.03511	21.5
123.04536	28.0
124.55076	2.3
125.02456	48.0
127.05135	8.6
128.03523	6.0
129.10362	3.2
130.08694	6.9
131.03537	6.3
135.03558	2.4
135.04532	6.6
139.04063	2.6
141.05630	4.9
143.03487	10.7
143.11919	6.6
145.06194	3.9
149.04562	7.2
151.66791	2.3
153.05605	4.5
155.03450	2.4
161.02409	7.4
161.04561	75.8
161.09659	3.3
169.98314	2.3
179.03503	5.7
179.05664	26.6
193.05107	6.6
197.12985	2.4
203.05611	5.6
205.08690	4.8
221.06731	4.6
222.32654	2.4
223.13428	3.4
233.06709	5.5
235.09784	3.4
238.25691	2.5
263.07660	27.1
323.09961	31.4
341.08676	3.7
555.27393	2.9
557.17212	2.7
573.26709	12.9
574.27924	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	573.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97044	1.0
55.01884	1.4
57.03449	100.0
59.01382	71.2
61.98821	4.6
67.75764	1.1
69.03426	1.3
69.45774	3.7
69.46202	3.8
71.01385	40.3
71.05028	1.3
72.99309	3.7
73.02948	24.6
75.00864	1.2
79.05542	2.6
81.03457	4.6
83.01385	9.9
83.05035	1.1
85.02958	9.2
87.00893	2.3
87.04571	1.1
89.02444	16.3
96.96012	5.8
97.02950	2.0
97.91818	1.2
98.22489	2.1
99.00906	1.7
99.04523	93.4
100.04891	2.5
101.02446	52.9
109.02950	1.9
113.02460	15.4
113.06102	3.9
117.03452	1.9
119.03489	9.2
121.10258	6.5
123.04544	9.7
125.01527	2.5
125.02452	44.0
131.03534	2.9
135.04536	1.5
141.05591	3.0
143.03494	5.5
149.04590	1.6
149.09700	1.6
161.02458	2.4
161.04550	9.7
163.11256	1.7
173.09657	3.5
175.07716	1.9
179.05617	3.7
181.46391	1.1
191.10788	67.2
192.11136	2.3
216.54118	1.3
221.06606	1.1
223.13533	1.2
231.13947	10.6
260.09555	1.1
267.16055	1.9
312.06009	1.1
354.07080	1.4
373.25970	1.2
384.07944	1.5
411.20639	2.0
429.21057	4.7
444.09985	1.9
546.13318	5.0
573.26068	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	573.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
61.38995	1.7
61.98830	3.0
64.68840	2.1
70.79656	4.3
71.01368	3.1
78.79227	1.5
78.95903	7.6
89.02445	2.2
92.15247	1.6
96.96032	4.6
101.02426	3.3
138.68567	1.6
152.99629	2.4
191.04451	1.7
221.01833	1.5
235.08263	1.8
253.09309	14.6
277.21741	100.0
278.22055	8.4
325.89944	1.7
372.59058	1.9
510.76303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67469	1.8
57.03451	3.5
59.01366	4.0
61.98814	2.4
69.35543	3.7
69.35949	9.7
71.01089	1.6
71.01395	17.1
73.04064	4.3
74.02479	4.5
82.02981	2.4
83.02522	2.3
88.04059	16.6
89.02468	2.8
93.81622	2.1
98.22485	3.9
99.04524	2.5
101.02441	3.6
101.07205	5.3
109.04099	2.7
110.76994	1.6
114.01966	2.0
115.00395	14.9
123.04441	2.1
125.02490	3.7
127.05143	16.3
128.03545	6.5
129.10365	14.6
130.08710	9.0
132.03024	17.1
139.08795	6.1
140.07199	4.7
141.10309	2.5
143.11909	3.9
145.06239	8.1
151.08800	18.7
153.10379	1.9
155.08278	2.8
165.05383	2.8
168.11438	11.4
169.09875	5.7
179.11935	11.2
180.10339	8.5
181.09883	3.6
186.12482	17.6
197.12885	1.9
198.12453	3.1
201.12440	3.2
211.11082	1.7
214.15623	3.3
220.34454	1.7
221.04445	1.8
222.12476	31.6
223.10919	6.4
227.10365	3.1
233.08241	1.7
236.14078	2.6
240.13556	22.9
242.18608	2.2
244.06918	2.8
245.11308	2.9
258.14636	13.6
281.20016	6.1
297.15704	2.6
298.14023	3.8
356.62323	2.0
390.49094	1.7
410.24033	11.6
411.22720	4.7
421.46109	2.4
428.25189	7.6
429.23798	6.1
440.25470	3.8
441.23727	11.1
458.26236	25.3
459.24713	52.4
460.25040	4.7
530.28229	2.2
536.93640	1.9
538.24908	2.1
544.26324	2.3
556.26410	28.1
557.26648	3.1
574.27344	100.0
575.28088	9.5
585.00049	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	574.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17533	2.7
51.77381	2.6
57.03454	26.1
59.01389	25.9
61.98823	13.6
69.35979	22.6
70.02979	5.6
71.01380	18.5
71.02505	4.0
72.64535	2.8
73.02947	7.2
73.04056	10.1
74.02453	3.5
81.02198	6.6
82.03002	9.0
87.00857	3.2
88.04031	4.2
89.02453	7.6
96.00904	20.2
96.96007	11.1
98.02484	30.9
98.21797	5.9
99.04533	21.4
101.02442	13.9
109.01701	11.7
109.04076	23.1
110.02491	33.9
111.02029	9.8
113.02436	9.3
113.03600	5.6
114.01985	6.1
114.05621	4.3
117.03484	6.1
119.03500	3.2
120.08131	3.2
125.02458	16.5
127.05148	19.7
128.03519	9.5
128.04512	3.1
130.08748	85.3
131.09081	2.9
135.02034	6.9
135.04510	7.4
138.09254	26.4
139.08772	5.7
140.07149	7.3
141.10373	3.8
143.03479	3.5
147.04552	3.4
152.04703	4.2
153.03073	45.8
161.02399	5.9
161.04616	7.6
165.10280	3.9
166.08734	32.3
168.10246	3.5
170.05725	44.9
171.04146	18.8
179.03438	4.0
179.05737	3.8
188.06676	2.8
189.01854	4.3
197.16673	3.4
210.07724	6.2
214.08382	5.3
225.16101	13.7
232.09410	5.9
233.16643	4.8
235.18179	13.2
243.17131	4.5
261.16116	13.7
279.17090	15.5
295.06247	4.5
297.07535	4.4
306.07773	3.4
323.05649	7.1
323.16153	100.0
324.16333	5.1
341.17151	13.1
351.05179	13.3
353.06659	6.6
365.06525	3.1
381.06161	4.6
383.07852	4.0
431.15686	9.2
441.23587	6.6
455.09894	6.3
459.09271	4.8
471.09409	8.5
477.20172	22.0
494.22183	14.1
495.20825	16.0
501.10455	5.6
512.23468	22.5
513.23730	3.9
521.22729	25.6
538.25250	19.1
539.23785	33.7
540.23352	4.7
547.23199	6.4
556.26270	64.6
557.25977	10.9
574.27039	46.6
575.13928	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	72.1
57.03696	17.8
57.10122	14.4
59.01383	77.1
60.64426	14.6
61.98832	100.0
71.01352	48.7
87.00880	20.5
89.02469	21.3
96.95995	46.0
98.22527	39.2
99.04536	25.2
101.02448	36.9
107.54105	19.5
119.03400	14.2
119.05003	14.1
121.02927	15.2
134.03767	17.8
135.04523	28.2
148.07687	26.3
160.54251	17.4
161.02408	58.5
163.04012	18.3
218.08185	44.7
376.28290	41.7
380.52631	18.0
398.14389	17.4
574.18811	38.6
574.30713	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
54.35642	0.5
57.03182	0.8
57.03452	13.8
59.01386	8.2
61.98828	2.1
63.02396	1.3
65.00344	1.2
70.67785	0.5
71.01385	4.2
71.33001	1.0
71.33373	0.6
73.02943	1.2
83.01373	1.2
85.02948	0.8
89.02463	2.2
94.02184	0.5
96.96023	1.0
99.04523	7.0
101.02450	4.3
107.01420	1.1
113.02476	2.3
117.03470	3.7
119.03496	0.9
121.02924	0.6
123.04495	0.6
125.02464	4.3
126.02837	0.7
130.76839	0.6
135.04565	1.1
143.03510	1.0
145.03018	0.6
149.02420	1.3
151.00377	1.7
159.04555	1.3
161.02460	1.4
161.04597	2.4
183.04517	1.3
225.05627	1.4
239.03555	1.0
240.04243	1.5
267.03033	0.8
268.03775	40.3
269.04547	100.0
270.04871	4.6
311.05609	1.7
373.18732	2.2
413.08740	0.7
413.21790	0.8
415.19742	0.9
431.09845	30.9
431.22565	1.1
432.10187	2.2
473.10898	35.3
474.11273	3.4
513.14142	9.3
575.13983	0.7
575.26294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1408
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
50.04273	1.2
57.03454	17.6
59.01379	18.3
61.98825	2.1
68.82498	1.2
71.01389	14.8
71.32834	1.5
73.02939	4.9
73.04082	1.3
83.01402	1.7
85.02959	5.1
87.00870	1.6
89.02461	5.6
93.03429	1.4
93.16592	1.1
96.00943	1.3
96.96035	1.7
98.02485	3.1
99.04532	16.0
101.02443	12.9
109.02934	1.4
109.04123	1.7
110.02472	2.3
113.02440	6.1
113.54153	1.2
117.03481	7.6
119.03457	2.0
119.05018	2.1
125.02493	7.2
127.05122	3.4
128.03587	1.5
130.08725	5.7
131.09081	1.9
133.02951	3.4
134.03722	1.8
135.04541	13.9
136.94307	1.2
138.09242	2.1
153.03069	4.6
161.02449	15.5
161.04547	3.7
166.08760	1.9
170.05765	2.3
171.04272	1.8
177.01941	4.1
179.03502	9.2
179.05087	1.7
179.05550	1.6
189.01930	3.7
190.02605	1.5
191.03438	1.6
203.03569	2.4
207.10110	2.0
221.04562	1.7
225.16164	1.2
233.04338	1.3
250.24533	1.2
269.10181	2.9
279.06830	1.8
281.04480	1.6
282.05167	1.6
283.06155	7.4
285.43304	1.3
295.06143	15.4
296.06909	2.7
297.04468	2.3
297.07541	9.3
307.06012	8.0
309.04218	1.6
309.07611	1.7
311.05746	8.2
322.04837	1.8
323.05573	13.7
323.16113	4.8
324.05975	1.6
324.16434	4.5
325.07190	6.5
328.05920	1.6
335.05579	2.4
337.07275	4.1
339.05103	6.5
349.07050	1.9
351.05115	21.5
352.05521	1.9
353.06647	14.1
363.05264	3.4
365.06696	3.2
369.06125	5.4
369.15347	1.7
381.06253	12.0
383.07797	6.9
411.07114	2.0
411.16833	1.4
413.09598	1.4
419.07718	5.3
431.15500	16.1
437.08743	2.6
455.09836	10.3
459.09381	5.1
471.09290	13.1
472.09595	1.9
473.10983	5.0
473.16898	3.4
478.20020	1.4
483.09454	1.5
485.10849	1.9
489.10394	2.8
501.10205	5.8
503.11957	1.3
512.24176	1.3
513.23712	2.2
520.83716	1.2
521.22937	1.3
522.22754	2.7
531.11334	2.8
539.24634	1.3
540.23804	2.6
557.12939	7.2
557.26587	4.5
575.14008	100.0
575.28192	5.3
576.14307	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	575.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06052	1.2
55.97409	1.0
57.03457	92.6
59.01389	75.6
61.98824	2.9
71.01393	62.5
71.32656	2.8
72.99290	1.5
73.02965	7.3
73.04061	1.2
74.02483	2.6
81.03468	4.5
82.95435	1.9
83.01392	5.3
85.02975	6.9
87.00909	2.3
87.05656	1.4
89.02455	8.4
94.65339	1.1
95.01407	1.2
95.16259	1.1
96.96022	1.5
97.02957	1.3
99.00957	1.3
99.04534	100.0
100.04854	1.8
101.02459	30.7
103.90999	1.0
109.06631	1.1
110.49361	1.2
113.02464	12.2
113.07264	1.6
115.08741	1.8
116.05053	2.9
116.92847	2.7
117.03500	4.0
119.03510	4.7
123.04546	1.6
125.02462	47.6
127.05104	1.4
128.03569	2.7
131.03499	1.1
133.02959	1.9
135.04558	6.8
135.08055	1.2
137.09673	1.2
143.03496	4.2
159.09286	1.3
161.02480	8.1
161.04561	6.2
161.09692	2.2
163.11285	3.5
165.10385	1.7
166.08737	1.9
175.04045	1.3
179.03506	3.3
179.05672	2.8
181.12369	7.2
187.80200	1.4
190.05124	1.4
195.06561	1.5
203.08273	4.5
207.10289	8.5
209.09317	3.7
211.07982	1.2
225.11362	3.1
231.03038	1.7
232.97359	1.2
235.22237	1.2
237.11365	4.3
249.71165	1.2
255.12361	9.7
269.13916	1.7
279.12430	4.0
281.04495	1.7
283.06131	4.2
295.06064	6.4
296.06683	2.7
297.07629	8.5
307.06241	1.5
309.07779	1.4
309.13486	16.5
311.05667	8.2
323.05536	5.4
324.06174	1.7
325.07144	3.7
328.05780	1.8
335.05789	1.2
337.07352	1.6
339.05136	2.5
341.06299	2.1
349.07178	1.7
351.05161	4.3
351.14542	5.6
353.06644	16.3
354.07031	1.5
365.06689	1.4
369.06137	6.1
369.15564	16.7
381.15488	1.3
383.07651	3.2
399.16681	16.2
401.08286	1.9
411.16629	11.4
413.08719	1.3
413.22012	1.8
417.17569	3.6
431.15549	4.8
431.23077	6.1
437.08884	1.6
441.17831	6.6
451.19803	2.8
455.10077	2.7
471.09558	2.0
472.10254	2.4
473.10730	7.4
489.02667	1.2
489.10504	4.7
545.27588	1.5
557.12842	3.5
558.16180	1.5
575.13916	47.3
575.26465	19.2
576.14520	6.4
576.27307	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	575.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	99.9
57.59914	1.1
58.00583	1.1
59.01384	78.0
61.98822	3.2
69.03457	1.0
70.66504	2.5
70.66840	2.1
71.01385	87.2
71.36951	1.0
73.02947	8.1
74.02466	1.2
81.03443	4.7
83.01364	4.2
85.02946	7.2
87.00846	1.3
89.02454	13.0
95.01383	2.2
96.96008	2.6
99.00874	2.1
99.04526	100.0
100.04850	2.2
101.02445	30.9
101.03108	1.8
109.06594	3.2
113.02443	12.8
119.03492	5.0
121.06541	1.2
123.04526	2.8
125.02460	48.6
127.05077	1.3
130.08757	3.2
135.04506	3.8
137.09694	1.3
143.03505	4.5
149.04521	1.1
161.02455	3.9
161.04539	5.3
161.09575	1.7
163.11293	6.8
178.99562	1.3
179.03502	2.4
179.05637	3.2
179.10707	1.4
181.12331	9.9
183.80031	1.2
207.10268	9.9
225.11278	10.3
237.11394	1.7
255.12329	3.3
279.12390	14.4
309.13483	4.6
351.14401	5.8
365.05933	1.2
369.15549	30.6
370.15863	2.4
381.15076	1.5
399.16608	7.3
411.16623	18.9
413.09970	3.0
413.21802	3.7
429.17557	1.4
431.22977	8.2
441.17636	1.3
443.19290	2.0
451.19485	2.5
531.27899	1.1
575.13495	3.1
575.24011	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04040	2.2
51.49439	1.9
52.37173	1.8
53.57351	2.2
57.03451	95.6
59.01382	100.0
61.35138	1.8
61.98823	9.2
69.03452	2.8
69.32916	2.2
71.01387	49.8
71.33105	3.3
72.99306	3.3
73.02945	18.2
81.03455	3.1
83.01399	8.8
85.02946	11.3
87.00865	3.2
89.02453	32.4
96.96049	5.7
99.00895	4.5
99.04525	84.1
99.92596	6.4
101.02451	51.6
106.33143	1.9
107.05050	3.2
113.02469	24.3
115.92077	7.2
116.92864	38.0
117.03450	3.1
119.03495	13.2
123.04542	8.0
125.02453	39.4
127.05177	2.4
128.03525	4.5
131.03511	4.5
133.03000	2.9
135.04541	6.5
143.03497	7.0
143.23640	2.0
149.04504	4.4
161.02527	10.2
161.04581	24.4
163.11295	3.2
169.01456	2.8
179.05653	18.0
203.03326	2.2
221.06616	2.5
226.96472	3.2
263.07788	4.0
277.14359	3.0
283.06049	4.5
295.06122	7.0
297.07669	8.0
307.06122	3.4
311.05701	4.4
323.05591	5.0
323.09570	3.6
325.07187	3.5
351.05032	4.8
353.06644	15.9
365.06723	3.2
369.06149	5.4
375.20663	3.0
383.07703	9.7
413.09372	2.3
413.21521	12.3
431.22849	22.4
455.09555	2.7
455.23392	2.5
473.10895	15.5
473.24393	3.0
489.10602	5.0
575.14172	37.2
575.26489	10.6
576.14191	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04040	2.2
51.49439	1.9
52.37173	1.8
53.57351	2.2
57.03451	95.6
59.01382	100.0
61.35138	1.8
61.98823	9.2
69.03452	2.8
69.32916	2.2
71.01387	49.8
71.33105	3.3
72.99306	3.3
73.02945	18.2
81.03455	3.1
83.01399	8.8
85.02946	11.3
87.00865	3.2
89.02453	32.4
96.96049	5.7
99.00895	4.5
99.04525	84.1
99.92596	6.4
101.02451	51.6
106.33143	1.9
107.05050	3.2
113.02469	24.3
115.92077	7.2
116.92864	38.0
117.03450	3.1
119.03495	13.2
123.04542	8.0
125.02453	39.4
127.05177	2.4
128.03525	4.5
131.03511	4.5
133.03000	2.9
135.04541	6.5
143.03497	7.0
143.23640	2.0
149.04504	4.4
161.02527	10.2
161.04581	24.4
163.11295	3.2
169.01456	2.8
179.05653	18.0
203.03326	2.2
221.06616	2.5
226.96472	3.2
263.07788	4.0
277.14359	3.0
283.06049	4.5
295.06122	7.0
297.07669	8.0
307.06122	3.4
311.05701	4.4
323.05591	5.0
323.09570	3.6
325.07187	3.5
351.05032	4.8
353.06644	15.9
365.06723	3.2
369.06149	5.4
375.20663	3.0
383.07703	9.7
413.09372	2.3
413.21521	12.3
431.22849	22.4
455.09555	2.7
455.23392	2.5
473.10895	15.5
473.24393	3.0
489.10602	5.0
575.14172	37.2
575.26489	10.6
576.14191	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	575.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.6
59.01366	5.8
59.59245	1.4
62.97060	1.9
71.01385	4.5
71.32337	2.0
72.99308	1.7
73.02957	2.3
73.04072	22.5
74.02465	4.0
75.51501	1.4
80.55061	1.6
83.02509	3.8
85.02945	1.9
88.31622	1.5
89.02463	3.2
95.02514	3.9
99.02020	2.2
99.04532	4.5
99.05614	1.7
101.02442	5.3
101.95446	1.3
103.05168	1.9
112.05186	14.9
113.02429	2.4
113.03567	14.5
117.54069	1.3
125.02478	3.4
125.03552	1.8
126.06866	1.5
127.05164	2.2
127.08790	2.9
128.03574	2.7
129.10347	2.7
130.06248	24.2
130.08742	41.0
131.04648	1.7
131.09145	2.0
135.04559	2.4
142.18391	1.6
143.04604	2.1
143.11945	2.5
144.07819	3.1
155.08286	2.0
160.07240	1.9
160.31970	1.4
161.02388	3.7
161.04530	2.0
168.09076	4.2
169.07341	30.2
169.09698	2.2
179.05583	2.3
185.16631	22.0
187.08366	44.1
199.08348	2.8
200.14066	3.4
211.14528	4.9
217.09422	9.9
226.09430	1.8
229.15627	7.8
233.08107	2.5
242.18755	23.8
244.10455	6.5
262.10632	1.8
286.17801	6.3
299.20877	11.5
300.21387	2.0
343.20023	8.6
356.15689	1.7
356.23322	2.3
413.14474	2.9
457.24298	8.4
469.24356	2.2
487.25269	62.8
488.25592	4.4
513.26959	4.1
531.27875	100.0
532.28101	6.2
575.21210	3.1
575.30475	70.5
576.31342	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	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.1
70.53784	1.8
70.54118	2.5
70.75048	1.2
71.01400	2.7
78.95885	1.6
89.02460	2.5
97.19433	1.4
101.02461	1.8
144.82335	1.5
175.99229	1.8
235.08209	2.6
253.09283	12.4
279.23318	100.0
280.23672	7.4
325.55798	1.5
398.05649	1.4
496.99963	1.6
531.39929	1.4
555.55652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42543	80.2
71.29015	80.8
71.32919	93.9
71.33261	88.2
83.46127	79.2
84.05910	82.5
112.25359	96.7
115.83376	86.5
150.25165	79.3
153.46014	78.7
252.08951	100.0
265.88217	91.9
510.63235	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	42.4
59.01384	32.5
60.01749	1.5
61.98834	100.0
65.00313	2.6
69.40655	1.1
70.79246	1.4
71.01382	15.6
71.07601	1.3
72.99297	1.6
73.02952	12.5
74.02467	1.2
80.73698	1.2
81.03450	2.3
83.01388	4.8
85.02953	2.8
87.00893	1.9
89.02448	7.6
93.03465	1.3
99.04526	42.4
101.02445	27.9
107.01395	5.4
109.72641	1.4
111.77847	1.3
113.02467	11.3
117.64364	1.3
119.03489	5.3
119.05043	11.8
119.44003	1.2
123.04504	9.0
125.02454	26.2
126.02686	1.4
128.30086	1.5
134.03725	1.7
141.05571	2.1
143.03510	4.0
149.04543	4.9
151.00391	13.6
153.05597	2.0
160.01579	2.2
161.04552	11.6
175.00500	1.8
175.03960	2.5
177.01831	1.5
179.05540	6.8
186.12421	2.1
208.26891	1.3
221.06572	2.0
235.68910	1.4
263.07635	2.7
269.04559	3.1
271.06122	46.2
323.09875	5.1
357.62241	1.4
433.11285	1.9
433.24020	1.9
473.65149	1.5
513.23334	12.8
558.29352	2.9
576.30750	8.1
577.22742	1.7
577.30536	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	28.6
59.01388	34.0
60.39859	2.9
61.98838	100.0
69.42650	16.5
71.01393	14.4
73.02959	6.4
85.02931	3.3
89.02469	4.7
94.64650	2.5
94.73390	2.4
97.38509	2.6
99.04536	39.7
101.02444	18.3
113.02488	4.3
125.02489	17.0
143.03532	3.5
161.04561	3.2
251.48381	2.9
270.18027	4.1
398.15228	2.7
411.20529	2.7
438.23080	2.9
498.79178	2.7
513.23492	7.5
576.30890	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	576.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63193	2.1
56.44810	1.5
57.03456	16.3
59.01395	13.6
61.98837	100.0
62.71525	1.6
69.07904	11.8
69.08325	5.6
69.42343	1.7
71.01393	8.2
73.02937	4.9
85.02991	2.2
89.02454	2.2
98.21785	2.8
99.04533	20.3
101.02442	12.2
113.02486	2.6
119.03526	3.8
123.04542	5.5
125.02462	7.1
128.92461	1.5
143.03467	2.4
152.99635	1.9
161.04578	5.4
191.69922	1.9
238.41315	1.7
246.16293	1.7
371.80667	1.7
393.93997	1.9
513.23755	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	576.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81751	1.5
57.03460	24.1
59.01386	23.1
61.98838	100.0
69.98173	6.7
71.01381	9.4
73.02946	5.8
83.01411	2.1
84.95121	3.8
85.00471	2.3
85.02943	2.8
87.00880	4.0
89.02448	4.4
90.98521	1.6
93.58504	1.5
99.04533	26.1
101.02464	17.1
113.02480	4.8
123.04546	4.4
125.02465	12.0
127.99525	1.9
137.02463	4.9
143.03508	3.7
149.04544	3.2
161.04533	4.9
164.03575	3.8
221.06842	2.5
313.27591	1.6
355.48849	1.6
427.31207	1.7
439.62378	1.8
513.23474	10.9
533.19647	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	576.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21376	2.0
57.03448	38.9
59.01381	65.8
61.98835	100.0
69.55958	13.9
71.01385	24.0
73.02932	9.5
80.87466	1.9
83.01371	4.0
85.02940	2.6
89.02445	12.7
93.17183	1.7
95.01384	2.1
99.04529	61.2
101.02445	32.5
108.47134	1.9
113.02456	10.8
117.03432	2.1
119.03494	6.9
119.04985	2.4
123.04539	4.2
125.02454	26.5
125.15195	2.3
130.08676	3.0
131.03477	2.1
137.09705	5.9
143.03500	6.2
148.34319	2.2
149.04533	3.4
151.00380	4.0
161.04541	12.6
179.05629	6.5
221.06706	4.7
263.07608	3.4
269.04507	4.0
270.04861	2.7
271.06134	10.9
323.09796	4.0
474.11209	2.5
482.24277	2.3
513.23468	19.3
576.30035	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	576.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30366	1.6
57.03458	48.5
57.34819	1.7
59.01096	2.5
59.01388	55.4
61.98838	100.0
69.06516	16.3
71.01385	13.9
72.99272	1.6
73.02939	3.7
83.01383	2.0
85.02934	4.3
98.22552	2.7
99.00910	1.9
99.04530	61.0
101.02473	15.3
111.72052	1.5
113.02473	4.6
125.02464	26.6
127.51749	1.5
143.03484	3.2
161.04564	5.5
192.11520	4.3
203.05635	8.3
207.13953	24.5
208.14035	1.6
215.59415	1.7
259.28467	1.5
411.20361	2.9
489.39774	1.7
513.23566	16.7
514.07068	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	576.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	24.4
59.01367	19.4
61.39036	4.9
65.92774	4.2
69.34765	20.5
69.35173	8.1
71.01376	12.8
72.04000	4.6
89.02443	7.4
91.05529	19.5
96.18632	4.2
99.04524	9.6
101.02440	17.0
107.94085	4.1
107.96014	4.2
108.60455	4.5
113.02461	6.4
119.03485	4.7
125.02421	7.4
127.05264	4.4
128.97202	3.9
134.02394	3.9
161.04602	6.6
161.42601	4.4
163.04033	100.0
164.04347	6.9
177.01910	10.8
190.05048	10.2
197.34352	4.2
239.15253	4.1
249.78998	4.7
577.21521	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	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79317	2.1
58.34290	2.0
58.36267	1.9
59.98866	2.1
61.98833	100.0
67.46858	1.8
70.43819	6.4
74.67133	2.2
78.76766	2.3
78.95914	2.9
106.48248	2.2
114.95794	2.0
129.32324	2.4
162.96051	2.6
204.08360	2.2
359.00320	2.4
444.12827	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	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20439	0.7
61.98834	100.0
67.19032	0.7
69.02473	1.5
69.02871	7.3
78.95902	4.7
82.21153	0.8
89.77924	0.7
98.21778	1.2
179.05629	0.8
180.89816	0.8
184.76534	0.7
196.89583	1.0
212.19803	0.8
248.11385	0.8
576.20032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05758	0.5
52.81055	0.5
55.89639	0.4
57.44137	0.5
59.01381	23.7
61.98857	0.5
69.13467	2.1
69.13895	2.6
74.52720	0.4
78.95908	24.2
80.96529	1.2
91.26085	0.5
96.46057	0.5
96.97027	0.5
106.78108	0.5
137.20491	0.5
152.99623	3.7
161.69432	0.5
168.04295	3.5
224.06921	10.1
242.07945	2.5
275.20084	0.6
277.21735	100.0
278.22092	7.4
398.18393	0.5
457.25552	0.5
462.48666	0.5
502.29419	59.4
503.29840	6.3
576.25519	0.9
577.27173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.1
61.98837	0.6
64.70506	0.2
69.05912	2.0
72.68348	0.2
77.53486	0.2
78.95914	7.0
99.80434	0.2
99.81167	0.2
104.15694	0.2
137.27869	0.2
152.99582	1.5
165.08990	0.2
168.04305	1.4
188.84441	0.2
214.86597	0.2
224.06940	1.1
233.22815	0.2
242.08003	3.3
259.20673	0.5
275.20233	0.7
277.21750	100.0
278.22098	6.7
297.11612	0.2
399.76257	0.2
502.29453	24.0
503.29828	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	577.1356
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
54.16016	3.4
57.03462	17.8
59.01370	3.4
60.56073	3.0
70.06320	12.6
83.01395	3.8
97.02914	4.0
109.02971	20.2
123.04516	15.9
125.02458	100.0
130.13060	3.1
133.02919	4.3
137.02434	22.8
139.04031	6.2
149.02454	4.0
151.03992	12.5
159.04530	3.9
161.02466	33.2
163.00375	4.2
163.04054	3.8
164.01173	4.1
175.03987	12.3
177.02036	5.9
179.03557	4.8
187.03987	8.7
188.04770	3.5
203.07147	8.9
205.05101	5.4
229.05148	4.4
245.04489	8.4
245.08185	12.8
247.06149	3.3
255.03021	10.1
256.03690	5.2
273.04181	4.5
281.04608	4.1
285.03815	4.3
287.05710	5.7
289.07193	71.8
290.07596	4.1
299.05676	5.6
381.09637	4.5
407.07675	58.3
408.07941	7.9
424.65894	4.0
425.08994	18.8
451.10242	12.4
458.74493	3.8
577.13037	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	577.1566
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
58.06359	0.6
59.01381	0.9
63.02394	1.4
65.00009	0.6
65.00325	1.0
70.37055	2.2
79.06679	0.6
81.25115	0.5
84.77859	0.6
85.15480	0.5
86.79726	0.6
87.74118	0.6
89.02448	0.7
107.01389	1.8
117.03470	3.1
149.02490	1.1
151.00378	2.0
159.04474	1.7
161.02446	0.9
183.04506	0.9
195.22585	0.6
197.06035	0.9
211.04036	0.8
212.04729	0.6
219.83395	0.6
224.45796	0.6
239.03456	0.8
240.04271	1.5
268.03781	23.7
269.04553	100.0
270.04831	5.2
458.49078	0.6
577.15625	45.2
578.15973	3.9
592.40533	0.7
595.45593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03218	0.5
57.03450	5.5
59.01380	6.6
60.79830	0.4
68.90641	0.4
69.39854	1.6
69.40277	1.8
71.01395	5.4
73.02926	1.4
74.02472	0.6
79.01869	0.4
83.01392	0.8
85.02963	1.5
87.00884	0.5
89.02449	3.3
89.03937	0.4
91.05564	0.6
93.03469	2.2
95.01384	0.6
96.00893	0.7
99.04519	4.4
101.02444	3.5
107.01445	0.6
107.05048	0.6
113.02468	1.8
117.03468	5.8
119.03547	0.8
119.05015	0.8
121.02978	0.6
123.04549	1.0
125.02469	2.3
128.03539	0.9
134.03754	1.7
135.04538	2.8
136.01627	0.5
147.04509	1.0
149.02504	1.1
149.06003	0.5
159.04480	1.1
161.02480	2.9
161.04626	1.0
162.03192	0.6
163.04018	1.9
173.02470	0.6
175.03999	1.9
177.01953	1.0
177.05522	2.3
179.03476	1.0
189.01909	1.3
189.05617	0.7
191.03545	2.3
193.05054	1.1
203.03506	2.0
203.08948	0.5
211.07660	0.7
217.05103	0.6
221.04532	0.7
224.08377	0.6
227.03392	0.5
233.04620	0.9
238.06171	0.6
239.07170	0.5
245.04524	1.2
251.07152	0.6
253.08653	0.8
267.06567	1.2
268.07236	1.1
269.04584	1.0
279.06805	0.8
281.04642	1.5
281.08084	0.7
282.05417	2.0
283.06100	4.7
293.04541	1.7
293.07684	0.6
294.05399	0.7
295.06113	6.0
296.06860	3.3
297.07687	22.1
298.08044	1.4
307.06100	2.6
309.04483	0.6
309.07748	2.5
311.05667	3.8
322.04630	0.8
323.05585	4.2
324.06219	1.1
325.07147	9.9
328.05859	4.1
335.05679	1.6
337.07159	4.4
341.06717	0.9
353.06683	40.5
354.06955	3.0
355.08115	1.4
356.05490	1.5
365.06680	6.4
366.06842	0.8
367.08102	0.7
383.07736	29.5
384.08124	2.1
395.07758	4.5
413.08820	4.9
415.15775	1.1
415.23380	1.0
425.08990	1.4
433.24365	1.6
439.10318	0.8
457.11365	13.8
458.12015	1.1
473.10724	4.8
487.12534	3.2
503.12112	2.5
533.12512	0.8
559.14630	1.7
577.15607	100.0
578.16016	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82895	3.6
61.26139	4.7
61.98838	6.5
71.31728	4.9
71.32089	4.6
117.03506	9.1
259.13519	4.4
293.04626	5.4
295.06540	4.9
296.06796	6.3
297.07712	15.5
308.92734	3.9
323.05716	5.8
325.07202	14.2
328.05737	4.6
337.07306	4.5
353.06720	31.5
383.07632	27.0
457.11356	19.9
473.10730	13.4
577.15729	100.0
578.15747	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05109	0.4
53.86050	0.4
56.22271	0.4
57.03187	0.9
57.03455	15.6
57.27684	0.4
58.03804	0.5
59.01388	5.7
61.98837	6.5
63.02395	1.6
65.00323	5.5
70.85110	0.9
71.01376	1.6
73.02973	0.9
83.01395	4.1
85.51295	0.4
89.02472	1.2
92.57405	0.4
93.03473	5.7
99.04532	6.6
101.02467	5.7
103.05706	0.4
107.01407	9.7
113.02452	0.9
115.07369	0.4
118.06808	0.4
119.05044	24.3
120.05366	0.8
125.02458	6.4
131.01436	0.7
145.02966	0.9
151.00395	36.8
152.00685	0.8
161.04576	1.4
161.05980	0.4
165.01961	2.2
166.00528	0.4
169.01408	0.6
175.00397	1.7
177.01993	3.4
179.05614	0.6
185.06149	0.8
187.04050	0.8
193.01424	0.9
227.07228	1.5
269.04523	0.6
271.06143	100.0
272.06497	5.7
295.06119	1.6
305.08832	0.9
313.07300	1.5
351.03445	0.5
433.11423	4.4
433.24493	0.6
475.12473	2.9
514.23840	0.8
515.15399	0.7
577.15485	2.1
577.29871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77092	0.3
56.04637	0.3
58.00589	0.3
59.01391	5.5
70.65356	0.6
71.01394	1.5
72.99301	0.4
73.02928	0.6
77.90698	0.2
85.02948	1.1
85.55661	0.3
89.02461	0.4
93.03479	0.5
99.92082	0.3
101.02445	0.5
103.83098	0.3
117.03477	11.7
131.01392	1.8
135.62921	0.3
137.02325	0.3
149.02423	0.3
161.02525	1.7
163.00327	0.4
163.04027	1.3
173.02464	6.5
175.00377	9.1
193.06622	0.4
194.22794	0.3
220.05360	0.3
221.06111	0.5
225.05646	0.3
237.05553	0.5
239.07071	0.5
249.05606	1.0
253.04950	0.6
264.04199	0.3
265.04996	0.7
268.03830	0.6
269.04584	1.9
281.04556	2.4
282.05353	1.1
283.03265	0.5
283.06168	5.8
284.06525	0.4
293.04593	100.0
294.04938	6.1
295.06097	0.5
297.04227	0.3
307.06070	0.3
311.05655	11.2
312.05960	0.9
314.04349	1.1
323.05630	1.3
335.05722	0.7
341.06802	1.4
353.06720	0.6
413.08823	55.1
414.09161	3.8
442.73926	0.3
457.11331	3.8
458.11832	0.6
577.15668	23.2
578.15991	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	577.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18211	3.6
53.86982	3.8
59.01385	37.3
59.16859	4.0
64.93580	3.8
64.94266	4.2
68.08824	4.0
70.31493	8.3
70.31859	8.6
71.01369	7.2
79.64143	4.2
81.64141	4.0
88.98811	9.1
96.96004	3.7
98.21793	4.7
113.02496	4.0
132.02176	9.2
134.03773	38.6
149.06081	17.3
160.01659	49.3
163.75774	4.0
175.04010	79.3
176.04672	4.9
178.02646	9.4
186.78900	4.2
191.07021	5.9
193.05074	100.0
194.05382	4.1
217.04958	5.9
227.07135	8.6
235.06096	11.4
235.87080	4.5
239.47296	4.2
250.45830	3.6
295.08118	6.3
355.10422	71.7
358.61118	4.0
531.60876	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43151	1.3
57.03442	6.6
59.01384	10.6
70.96269	2.4
71.01373	6.4
73.02945	2.0
77.03975	3.2
85.02963	2.5
87.00886	1.9
88.04005	2.9
88.98825	3.8
89.02438	3.6
89.03963	1.6
91.36263	1.5
95.05035	7.4
96.00943	1.6
96.96038	2.0
99.04539	3.4
101.02441	5.6
105.03449	20.4
113.02425	2.0
123.04534	4.7
125.02438	5.0
128.03520	4.1
133.02960	100.0
134.03299	2.5
135.04497	1.9
161.04567	2.4
161.06053	1.4
177.01927	51.9
178.02309	1.8
179.03470	1.8
179.07066	1.9
193.04756	1.6
201.25984	1.3
242.05872	3.1
293.23959	1.7
433.17096	4.8
438.65067	1.5
457.22882	1.9
473.49329	1.5
507.96896	1.5
533.23340	5.5
577.21002	5.0
578.25763	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70933	0.5
55.92617	0.5
59.01364	1.8
59.56351	0.5
63.36576	0.5
69.03453	0.7
70.96023	0.5
70.96393	1.3
71.01385	7.7
73.02951	2.1
77.20748	0.5
78.95912	0.5
78.98595	5.8
79.95739	10.3
80.96520	70.4
85.02936	2.5
87.00874	2.5
94.98090	15.6
95.72906	0.5
96.96049	1.2
97.02952	1.5
101.02444	2.6
106.98076	3.0
122.97592	6.6
125.02448	3.4
127.04010	1.0
134.97572	3.9
136.83224	0.5
136.99199	1.2
148.99126	7.3
152.98634	7.3
164.98648	11.2
182.99680	2.6
193.82022	0.5
196.67969	0.6
206.99706	2.7
225.00754	17.6
243.01782	1.9
277.21774	2.7
279.23285	8.1
299.04486	2.6
393.31195	0.5
450.17877	0.6
504.31589	2.4
549.28400	0.7
577.26886	100.0
578.27246	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98836	3.4
63.96231	1.2
65.54527	0.7
71.01379	8.4
71.34240	1.3
73.02922	1.5
78.95905	2.9
78.98594	7.1
79.95740	11.6
80.96522	80.5
85.02949	4.0
87.00893	3.0
91.57647	0.7
94.98094	19.7
96.96012	0.9
97.02997	2.1
101.02444	2.4
106.98103	3.6
110.70256	0.8
122.97620	3.9
125.02443	2.8
134.97604	5.1
136.99205	1.9
148.99127	7.4
152.98657	5.1
164.98630	12.9
171.54036	0.7
184.85828	0.8
186.87163	0.8
206.99683	2.3
225.00755	14.4
277.21741	1.4
279.23282	12.8
299.04462	4.2
504.31302	6.7
577.26923	100.0
578.27087	13.7
581.61469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14505	1.1
55.01881	1.3
56.19210	1.2
57.03452	100.0
58.00596	1.3
58.03785	1.7
58.57725	1.0
59.01385	82.2
61.98811	2.0
69.61758	1.0
70.66760	2.6
71.01389	41.3
72.99322	1.7
73.02962	8.1
81.03475	2.7
82.95412	4.7
83.01399	5.1
83.05089	1.1
85.02959	16.7
87.00876	2.9
87.04523	4.9
89.02451	31.2
95.01408	4.4
97.02966	1.2
99.00895	2.3
99.04525	81.6
100.04876	2.4
100.31618	1.1
101.02451	42.3
113.02460	33.1
113.03267	1.6
119.03510	11.6
123.04549	2.1
125.02457	36.4
131.03497	2.1
133.03043	1.5
138.06813	1.2
143.03488	5.5
149.04504	1.9
161.02495	2.2
161.04562	14.8
172.51654	1.1
179.03589	1.5
179.05621	7.5
269.04437	1.4
271.19199	2.3
357.43008	1.1
386.16620	1.2
415.23392	47.0
416.23691	3.7
433.24435	61.7
434.24734	4.4
475.25552	6.9
577.15625	1.9
577.19531	1.1
577.28882	17.3
578.29010	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	578.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46417	0.9
55.03304	1.1
57.03450	27.8
59.01088	1.8
59.01380	31.7
61.98833	100.0
69.06362	6.2
69.06793	5.0
71.01388	6.5
73.02953	3.1
83.01376	1.7
85.02957	2.6
85.07077	1.0
89.02441	1.5
99.04527	33.0
101.02442	11.9
113.02457	1.7
120.34309	1.2
125.02473	13.9
143.03529	2.1
161.04573	4.1
203.05721	1.8
231.74278	1.2
371.20801	2.0
413.21790	3.8
433.49591	1.1
515.24902	11.0
516.25323	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	26.3
59.01384	21.5
61.98832	100.0
62.90162	1.3
64.72718	1.4
67.43406	1.6
70.64716	4.5
71.01378	10.7
73.02946	6.6
74.02485	1.7
79.77578	1.4
83.01392	3.6
85.02946	2.6
85.36410	1.5
89.02431	7.3
92.18368	1.4
96.96024	2.7
97.03025	1.5
99.04520	25.1
100.04869	2.3
101.02457	22.1
113.02462	7.3
117.61559	1.5
119.03487	1.6
120.68626	1.4
123.04581	7.2
125.02451	14.2
143.03546	1.7
149.02446	3.4
149.04558	2.3
161.04565	6.3
165.30322	1.6
167.03419	1.9
171.71115	1.4
179.05582	2.3
193.89215	1.6
227.07100	4.9
228.07468	5.1
269.04434	5.7
270.04901	5.2
271.06058	4.1
272.06354	2.0
343.21033	2.6
345.10129	1.6
417.13040	3.9
434.25146	2.4
515.25092	7.8
531.99323	1.8
535.21771	2.8
535.70160	1.8
578.16016	6.6
578.31860	3.0
578.39148	7.3
579.18060	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	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29350	1.1
53.40201	0.9
61.98836	100.0
71.34583	1.8
78.95909	14.6
79.95714	1.4
80.96516	2.7
96.90653	1.0
96.96021	43.2
113.92647	1.1
122.05936	0.9
136.91032	1.2
150.97975	1.0
152.90417	1.1
152.92714	1.1
152.99577	4.7
171.00621	2.2
177.89767	1.7
178.90543	1.6
194.90025	2.9
194.91599	1.5
194.93779	1.2
208.93047	4.4
245.04268	4.4
266.93509	1.7
269.28012	1.0
298.96188	5.9
330.95172	4.7
343.00882	1.4
418.21255	1.0
454.33850	1.0
456.16290	1.1
481.25848	4.2
535.17853	1.8
560.08569	1.2
567.16797	1.7
579.18799	3.0
579.28436	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	578.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89449	0.8
58.77122	0.6
60.64071	0.8
61.98835	100.0
69.05789	1.1
69.06193	7.6
71.01390	1.9
73.28085	0.7
78.95168	0.8
78.95925	2.0
78.98595	1.5
79.95737	3.2
80.96526	20.8
85.02969	1.3
94.11272	0.8
94.98119	4.8
96.96017	8.6
98.22482	1.5
101.02468	0.9
106.98063	1.2
122.97581	2.0
134.97581	1.9
136.83195	0.8
148.99225	1.8
152.98624	1.9
152.99716	1.2
164.98656	3.7
206.99738	0.8
208.93224	1.0
209.10564	0.9
219.49776	0.7
225.00798	5.4
243.01859	1.0
245.04378	1.3
279.23441	0.9
299.04431	0.9
307.51212	0.9
377.59885	0.9
511.69284	0.8
518.08270	0.9
579.28522	32.7
583.05884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77567	0.7
57.01900	0.7
59.01381	13.3
61.98856	1.0
68.62894	0.7
69.04775	2.6
69.05193	5.6
69.19254	0.7
75.46396	0.7
78.95907	8.0
111.43862	0.9
152.99580	3.5
167.16930	0.9
168.04259	1.6
213.35913	0.8
224.06978	1.0
240.87314	0.9
242.08011	2.2
279.23294	100.0
280.23615	8.7
446.65088	0.8
504.30975	20.9
505.31418	2.2
542.25470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80077	0.5
55.25607	0.5
57.74122	0.5
57.77021	0.5
57.87696	0.5
59.01383	17.5
61.98816	2.3
69.03468	0.6
69.11494	3.5
69.11924	1.7
70.12424	0.5
71.01392	1.3
73.02940	0.6
73.79554	0.5
75.85448	0.5
78.95910	21.0
78.98576	1.1
79.95739	1.9
80.96523	14.6
82.96094	1.1
91.79754	0.8
94.98117	3.6
98.22555	0.9
101.02486	1.0
106.98109	0.8
119.86911	0.7
122.98456	0.7
125.02473	0.5
134.97630	1.0
148.99139	1.2
152.98528	0.9
152.99593	3.3
164.98653	2.0
168.04320	4.1
178.92868	0.6
200.63647	0.5
213.53735	0.5
218.86830	0.5
224.06961	9.6
225.00710	2.1
226.01141	0.6
242.08018	2.4
277.21774	0.5
279.23306	100.0
280.23721	6.2
504.31012	52.8
505.31403	6.1
525.92535	0.6
542.26007	0.6
578.27283	21.1
579.26819	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1725
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
51.61018	1.5
63.02375	2.6
65.00335	13.7
70.52516	4.8
71.01360	2.1
78.07218	1.3
83.01389	8.2
87.00889	2.6
93.03463	6.9
103.07760	1.5
107.01404	21.1
117.03458	2.0
119.05037	45.3
125.02473	4.8
137.46817	1.7
145.02942	3.3
151.00383	100.0
152.00755	2.3
165.01923	3.5
166.02727	5.1
177.01987	7.7
177.79623	1.7
180.98967	1.5
181.05066	7.2
185.06082	1.8
187.04034	3.4
193.01361	3.1
196.00189	1.6
227.07207	3.0
235.02452	2.4
269.04541	2.6
271.06155	58.1
272.06586	2.4
313.07266	4.3
339.07431	2.5
417.15598	7.2
437.98007	1.6
459.11670	21.8
579.17279	70.8
579.26642	3.8
580.17401	7.2
587.60779	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01704	1.0
61.12059	1.0
65.62684	0.8
69.70638	4.5
82.94611	1.0
98.22462	1.3
119.38585	0.9
121.03004	2.0
126.90437	18.6
127.00139	2.0
133.50368	1.0
175.04021	2.2
178.02068	0.8
222.05318	1.4
235.96117	0.9
241.05238	1.0
279.06860	1.8
281.08304	2.4
291.06696	1.4
294.08875	1.3
296.10571	1.3
297.07751	9.6
308.10544	1.4
309.07721	14.9
309.11319	3.3
310.08160	1.5
312.10071	9.9
323.09338	3.9
324.10052	10.3
327.12418	41.0
328.12711	3.8
339.12393	41.0
340.12799	3.4
399.20413	1.1
534.97083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01372	2.6
69.01533	1.7
69.01949	5.1
71.01381	2.2
73.02936	1.0
73.04076	1.4
74.02505	0.9
77.03978	3.5
84.00934	0.6
85.02948	0.7
87.05653	1.0
88.04056	6.0
89.02454	1.0
89.03993	1.0
93.03447	1.3
95.01328	0.6
95.05049	6.3
96.00907	1.4
98.02481	0.9
99.00938	0.7
101.02457	1.0
101.07171	0.6
105.03475	21.7
111.02047	1.1
113.02456	1.3
113.03576	3.0
121.02982	0.9
123.04548	2.5
123.05614	1.1
124.04071	1.7
125.02478	1.5
127.05147	1.7
132.02203	1.3
133.02974	100.0
134.03273	3.5
135.04543	5.3
141.06660	0.7
145.06305	1.5
146.06177	0.8
146.17453	0.6
149.02512	0.7
151.04054	0.9
158.54382	0.7
167.04671	1.0
177.01950	45.4
178.02298	2.0
179.03552	2.9
186.48392	0.6
202.08495	0.7
203.08298	1.5
217.09875	1.0
234.12555	0.8
241.11954	0.7
294.70166	0.6
301.10745	0.8
308.19592	0.6
327.04926	0.8
331.14288	1.3
339.05203	1.0
349.15396	0.9
351.05661	0.7
369.06287	1.3
385.14816	1.0
399.07278	1.1
428.15903	0.7
435.18985	1.0
459.09488	1.5
464.21591	1.2
489.10339	0.9
500.17807	6.7
517.20660	2.8
544.20551	3.9
561.23169	5.1
562.21851	0.8
579.13989	3.6
579.24347	6.7
580.23834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70647	0.8
59.01383	1.7
69.35802	3.8
69.36207	1.5
71.01390	2.4
86.75453	0.9
101.02440	1.7
107.01408	1.7
109.02974	1.5
113.02468	1.5
116.37363	0.7
117.03461	1.7
119.05059	0.9
121.02945	1.4
123.00914	1.8
123.04537	0.9
125.02451	1.0
128.65720	0.9
137.02460	10.0
139.03978	0.9
149.02463	2.1
150.22595	0.8
151.00374	18.5
151.03928	0.9
152.01141	1.5
152.04817	2.3
159.04517	1.0
160.05022	0.8
166.02718	57.0
167.03491	4.8
175.04053	1.3
177.01933	2.8
181.05070	71.3
182.05446	2.7
184.03853	0.9
190.06334	1.3
191.03609	1.3
192.04324	1.1
197.17012	0.8
207.06662	1.7
215.51332	1.0
219.06699	1.0
268.03766	6.0
269.04483	23.8
270.04822	21.1
271.05078	19.3
359.11353	1.7
371.14954	1.3
387.10922	15.7
402.13107	6.6
417.15549	100.0
418.15924	10.0
535.22394	1.2
579.16174	26.5
580.16321	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86921	0.6
54.59835	0.6
57.03435	1.1
59.01373	1.8
62.95427	0.6
67.81936	0.5
69.41527	3.7
71.01369	0.6
77.03979	3.1
85.02969	0.7
89.03938	1.2
93.03476	0.7
95.05036	6.6
101.02428	1.0
105.03471	19.1
113.02491	0.6
121.03024	0.7
123.04549	2.1
125.02460	1.1
128.03540	0.7
132.02196	1.4
133.02969	100.0
134.03268	3.2
135.04524	0.8
151.03990	0.8
175.04030	0.6
177.01952	49.8
178.02319	1.1
267.79752	0.6
313.07181	0.8
339.05371	0.5
369.06137	1.8
383.01593	0.7
399.07309	2.2
416.07852	0.7
446.11514	0.6
459.09442	2.2
579.13898	2.6
579.22778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01372	2.6
69.01533	1.7
69.01949	5.1
71.01381	2.2
73.02936	1.0
73.04076	1.4
74.02505	0.9
77.03978	3.5
84.00934	0.6
85.02948	0.7
87.05653	1.0
88.04056	6.0
89.02454	1.0
89.03993	1.0
93.03447	1.3
95.01328	0.6
95.05049	6.3
96.00907	1.4
98.02481	0.9
99.00938	0.7
101.02457	1.0
101.07171	0.6
105.03475	21.7
111.02047	1.1
113.02456	1.3
113.03576	3.0
121.02982	0.9
123.04548	2.5
123.05614	1.1
124.04071	1.7
125.02478	1.5
127.05147	1.7
132.02203	1.3
133.02974	100.0
134.03273	3.5
135.04543	5.3
141.06660	0.7
145.06305	1.5
146.06177	0.8
146.17453	0.6
149.02512	0.7
151.04054	0.9
158.54382	0.7
167.04671	1.0
177.01950	45.4
178.02298	2.0
179.03552	2.9
186.48392	0.6
202.08495	0.7
203.08298	1.5
217.09875	1.0
234.12555	0.8
241.11954	0.7
294.70166	0.6
301.10745	0.8
308.19592	0.6
327.04926	0.8
331.14288	1.3
339.05203	1.0
349.15396	0.9
351.05661	0.7
369.06287	1.3
385.14816	1.0
399.07278	1.1
428.15903	0.7
435.18985	1.0
459.09488	1.5
464.21591	1.2
489.10339	0.9
500.17807	6.7
517.20660	2.8
544.20551	3.9
561.23169	5.1
562.21851	0.8
579.13989	3.6
579.24347	6.7
580.23834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16488	0.9
57.03447	3.5
59.01376	6.5
60.99311	17.0
61.98835	18.4
70.85687	2.1
71.01385	3.2
80.13773	0.8
82.95407	0.9
85.02957	1.8
87.00856	1.5
88.98812	100.0
89.02435	6.7
91.73590	1.1
99.04560	2.3
99.52891	1.1
101.02461	2.4
102.32209	1.1
113.02545	1.1
116.92803	1.1
123.04553	1.3
125.02458	1.5
133.02977	1.2
135.04594	1.3
149.02469	3.0
161.02419	2.6
167.03612	1.2
179.03569	1.7
179.12050	0.9
273.20605	1.4
296.62454	1.0
301.20111	2.0
327.21710	1.4
481.85693	1.0
491.29095	1.2
535.21686	2.4
579.32635	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	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.51857	0.5
61.98845	3.2
63.96224	0.9
69.03438	0.5
69.05509	5.3
69.92659	0.6
71.01387	7.4
73.02934	1.6
78.95899	2.1
78.98595	5.7
79.95743	8.2
80.96525	60.2
85.02948	3.1
87.00880	2.2
94.98091	14.5
94.98692	0.7
95.01443	0.6
96.96018	11.6
97.02932	1.4
98.21729	1.0
99.00949	0.6
99.27401	0.5
101.02444	2.0
102.83183	0.5
103.58367	0.5
106.98090	2.6
107.25871	0.5
117.51311	0.5
122.97589	4.3
125.02488	2.3
127.04034	1.2
134.97601	4.9
136.99158	1.2
148.99149	5.7
152.98619	6.9
152.99545	0.5
153.71571	0.5
164.98625	11.1
167.00244	0.5
173.59103	0.5
179.39035	0.5
182.99692	0.8
188.98541	0.6
206.99699	2.6
225.00746	14.9
243.01903	0.9
245.04359	0.7
279.23325	2.7
281.24927	0.6
299.04504	2.5
315.93567	0.6
343.01141	0.9
471.96140	0.6
481.25787	0.9
579.28467	100.0
580.28864	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	579.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.2
71.01387	9.8
71.33892	3.2
73.02968	2.6
78.95900	3.4
78.98599	5.8
79.95744	11.8
80.96520	66.0
81.20674	1.7
85.02950	3.5
87.00894	2.2
94.98083	18.4
96.96021	1.8
101.02437	3.1
120.23023	1.7
122.97612	6.5
125.02465	3.5
134.97581	3.2
148.99110	4.8
152.98628	6.0
154.84518	1.7
164.98636	11.9
182.99777	2.7
206.99655	2.8
225.00800	15.2
226.01212	2.1
279.23370	5.3
280.23611	3.4
299.04495	3.3
309.20645	2.0
424.32153	1.8
524.33832	2.2
562.31641	2.2
579.28448	100.0
580.28925	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	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36047	0.2
52.22510	0.2
56.49684	0.2
57.37354	0.2
59.01399	0.5
61.98838	100.0
66.28775	0.2
69.13314	0.4
69.13705	1.8
78.95911	0.5
96.39219	0.2
138.09624	0.2
152.99657	0.5
162.37674	0.2
177.33995	0.2
177.95209	0.2
205.15822	0.2
205.58948	0.2
220.77931	0.2
234.58437	0.2
243.40482	0.2
277.21738	2.5
278.22238	1.0
279.22464	0.4
280.22791	0.5
328.01639	0.2
502.29492	0.5
505.30765	0.4
505.75491	0.2
591.69666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
78.95935	1.4
85.91203	0.5
129.74321	0.4
143.51816	0.5
152.99637	1.1
277.21811	1.0
278.22281	0.7
502.29425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29340	0.6
59.01365	0.7
70.07581	0.5
70.45134	1.9
71.01394	1.0
74.91143	0.5
93.00085	0.6
102.89536	0.5
105.03456	0.6
115.01936	0.5
132.02228	2.7
133.02975	35.2
134.03285	0.8
135.04535	12.0
137.10031	0.5
143.39607	0.5
149.06093	1.0
161.02464	100.0
162.02808	3.2
177.05566	1.0
179.03511	15.0
203.03523	2.9
255.23251	0.9
269.24963	1.7
366.41269	0.6
394.82913	0.6
463.94882	0.6
579.31641	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	580.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.4
59.01385	14.1
61.98834	60.1
67.58994	2.7
71.01378	9.0
71.33676	4.0
83.01412	3.0
85.02945	3.8
87.00882	8.3
88.94216	2.2
89.02458	4.6
99.04494	5.1
101.02470	5.9
113.02448	5.0
117.70517	2.4
119.03505	2.4
125.02483	4.3
132.02187	2.8
133.02965	31.9
134.03772	4.2
135.04541	17.0
145.03000	3.4
160.01697	4.7
161.02452	100.0
162.02808	3.9
175.03970	3.3
177.01831	3.0
177.05615	2.9
179.03508	18.2
193.05093	3.8
203.03358	3.5
235.06018	3.0
275.55383	2.5
281.06772	3.2
323.07770	7.6
341.08914	4.7
517.13397	30.9
556.26581	2.8
579.34064	4.0
580.34100	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59095	1.2
55.01900	1.4
57.03436	3.8
59.01373	8.2
62.20023	1.1
69.03434	2.1
69.41776	1.5
71.01387	10.8
71.32468	1.6
73.02941	3.3
81.03464	17.1
83.01398	15.2
85.02957	5.7
86.01118	1.4
89.02439	4.4
93.03462	3.6
95.01404	6.9
95.05040	7.9
96.00920	1.3
97.02966	12.6
99.00912	1.4
99.04529	9.7
101.02441	4.8
104.12658	1.1
105.03440	1.6
107.05051	3.3
107.70947	1.2
108.02191	1.3
109.02965	6.7
111.04545	6.3
111.43296	1.5
113.02449	12.5
117.03463	3.7
119.03479	1.7
119.05010	3.3
121.02989	8.4
123.04532	30.7
125.01524	2.7
125.02454	54.1
125.06058	3.2
128.03548	1.9
133.02988	7.2
133.06552	1.4
135.04544	8.1
136.01665	1.8
137.02457	14.8
137.06076	3.8
138.03210	1.9
139.04028	6.1
147.04514	2.3
149.02457	3.2
149.06030	2.4
151.04036	7.9
153.05557	5.3
155.03500	3.7
161.02475	1.5
161.04585	4.7
163.04022	3.6
164.01204	1.5
165.01918	2.8
165.05551	5.6
166.02704	5.1
167.03505	53.1
168.03830	2.9
175.03984	2.1
177.01926	4.8
177.05597	2.4
179.03503	16.9
179.05568	2.0
181.05098	6.5
191.03484	3.2
193.01210	1.2
193.05070	3.0
197.04529	20.3
207.02953	1.4
209.04556	98.0
210.04890	4.0
221.04567	7.2
223.06387	1.6
227.05614	1.4
239.05608	100.0
240.05936	3.6
247.27049	1.4
251.05673	7.2
263.05597	1.6
269.06668	47.9
270.06955	2.5
275.09058	2.4
277.03381	1.4
281.06699	12.9
293.06842	2.8
299.07663	19.2
299.10577	4.3
307.04379	1.7
311.08020	7.9
320.91620	1.3
324.83252	1.4
329.08820	20.0
341.08768	4.9
353.06784	1.7
359.09842	4.1
362.83459	1.3
369.95236	1.5
371.07739	30.9
372.07834	1.7
380.91754	1.2
397.14993	4.1
401.08636	28.8
402.09094	2.0
413.08142	1.4
415.15900	1.7
417.12973	2.7
419.11862	14.0
431.09900	7.1
437.14224	3.3
443.09790	5.5
461.10892	12.0
473.10709	4.0
473.17056	1.4
491.12259	10.6
503.11917	2.5
521.13275	1.8
563.13080	1.4
581.15088	13.5
581.24756	2.2
582.15625	2.1
602.96661	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	581.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80516	2.7
59.01382	5.1
74.02458	3.0
87.00857	5.1
98.22620	6.1
100.69913	3.5
107.05042	8.5
121.03007	4.8
123.04522	3.2
125.02443	6.1
128.03653	3.6
133.02992	3.4
133.06633	4.7
135.04553	7.9
137.02484	3.3
149.06065	15.8
161.02495	11.0
167.03444	4.0
168.57976	3.3
177.05630	18.1
179.03520	29.1
179.11354	3.0
198.86909	3.5
209.04649	5.9
239.05629	100.0
266.62247	3.9
315.06317	3.4
329.09076	2.9
333.92477	3.4
336.42462	3.4
341.08951	5.9
419.11938	4.2
581.14484	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	581.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10889	1.3
60.41788	1.6
61.41220	1.7
61.98834	2.1
65.50394	1.8
69.31908	5.1
69.32329	7.4
93.03459	2.8
97.37515	1.4
109.29821	1.5
121.02968	8.4
122.03740	2.3
135.04475	1.7
149.02452	37.0
150.03233	45.9
152.01176	5.2
161.66994	1.7
163.04042	5.9
164.04820	17.4
165.01941	2.3
165.05589	42.1
166.05977	2.2
177.05574	1.4
179.07170	5.4
180.04390	3.2
181.05020	1.6
185.25406	1.4
193.01414	18.1
195.05251	0.8
195.06633	37.4
208.03763	33.1
223.06125	100.0
224.06380	3.5
265.07272	1.9
371.11179	8.3
405.64914	1.6
419.13358	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	2.6
70.65791	5.7
72.70604	1.8
80.38828	2.3
80.64757	1.8
133.02991	2.3
134.03754	48.6
137.02475	13.1
149.06097	15.3
165.01933	43.4
174.47247	1.8
178.02731	29.5
179.03484	8.7
180.04282	27.1
193.05069	100.0
194.05429	5.5
195.06633	34.1
196.06998	3.2
210.05377	5.4
225.07683	39.1
226.08095	2.9
235.52180	2.4
285.00952	3.0
289.25058	2.2
297.07724	5.1
356.09427	2.9
371.11423	23.2
419.13400	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	581.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43203	1.2
57.03440	5.6
57.59915	1.4
59.01385	21.4
61.98834	35.2
66.59215	1.3
69.07883	6.4
69.08310	7.6
71.01386	23.1
72.99285	1.8
73.02959	6.7
75.00835	1.5
80.44006	1.5
83.01373	4.0
83.90072	1.4
85.02953	9.9
87.00884	100.0
88.04013	6.7
89.02438	4.0
93.03508	1.5
95.01387	2.2
97.02946	1.9
99.04527	2.0
101.02448	15.7
113.02455	5.2
117.09608	1.5
119.03498	1.5
123.04529	1.9
125.02464	3.9
127.05122	1.6
128.03558	4.0
130.08755	3.0
130.99883	2.3
132.02202	1.7
133.02940	4.2
134.03725	2.4
135.04530	10.6
137.07347	1.3
145.02914	2.9
149.02446	3.2
160.01665	2.0
161.02516	11.0
161.04552	2.9
167.03514	1.4
175.03954	2.0
179.03528	6.6
182.13176	1.5
193.05141	1.8
256.60284	1.4
313.23816	3.5
398.11279	2.3
437.23877	2.4
447.29611	8.2
449.27426	2.4
457.28021	18.5
465.26907	2.1
469.07773	1.5
475.28922	3.6
477.27069	8.8
501.26965	28.9
502.27380	2.0
519.28027	4.1
537.23419	1.9
545.25946	2.2
550.26672	1.9
558.76215	2.3
559.59705	1.8
563.26929	7.0
566.30963	3.2
566.80768	2.3
581.28088	74.7
582.28619	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	581.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93115	2.3
69.93512	2.3
70.53313	0.8
71.01392	6.8
73.02955	1.5
78.95905	2.6
78.98598	5.9
79.95746	11.2
80.96526	74.7
85.02974	2.7
87.00875	2.7
94.98098	17.9
96.96014	6.7
97.02956	2.0
97.52052	1.0
101.02450	1.5
106.98097	3.4
122.97585	6.5
125.02431	4.1
125.03230	0.8
134.97609	4.8
136.27539	0.8
136.99174	1.3
148.99142	6.1
152.98648	7.8
164.98633	10.7
170.16241	1.0
182.99760	2.5
206.99709	3.6
218.68706	1.0
225.00757	16.4
243.01776	2.0
255.23331	1.8
273.51566	1.0
281.24908	2.9
299.04379	3.8
305.23676	1.1
329.55927	1.0
483.27264	1.4
581.30035	100.0
582.30359	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62700	0.5
58.60169	0.5
61.98832	100.0
71.32810	0.8
78.95919	0.7
97.37348	0.6
152.99620	0.6
203.99284	0.6
279.23410	2.1
314.21371	0.5
379.57956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
61.98835	100.0
69.19115	1.4
69.19549	1.6
72.23452	0.3
77.26344	0.3
78.95924	1.1
80.35152	0.3
80.63097	0.3
85.95641	0.3
93.29308	0.3
98.22531	0.7
103.38472	0.3
117.31660	0.3
125.36040	0.3
128.91472	0.3
152.99625	0.5
279.23346	1.9
280.23785	0.5
282.24332	0.4
291.22995	0.4
361.20682	0.3
504.31357	1.1
507.31763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	1.1
71.13258	1.2
72.00917	11.3
74.02483	25.9
80.91366	0.7
91.05537	0.9
104.03550	100.0
105.03880	1.0
109.02981	3.7
117.03466	1.5
124.90156	0.7
125.02446	0.8
133.02974	2.1
134.03770	0.7
135.04541	39.8
136.04926	1.0
142.84282	0.8
149.06099	10.7
150.06456	1.1
156.03955	0.7
160.07693	1.0
161.06091	2.8
179.03516	32.7
180.03853	1.3
180.07901	0.7
192.06621	2.9
205.05051	1.2
222.07736	54.0
223.08119	2.4
239.00706	0.7
255.06677	2.0
271.09805	3.5
315.08795	4.3
359.07776	3.6
458.09918	0.8
582.29132	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	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.27242	1.8
70.63634	1.8
70.63986	4.9
93.71322	1.5
112.48664	1.6
119.82835	1.6
131.32823	1.9
474.73645	1.8
517.70538	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	583.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67118	2.0
54.93609	2.1
57.03474	2.6
59.01380	10.9
61.98830	6.9
69.49068	12.9
71.01391	7.4
72.99296	2.5
73.02909	2.7
81.03467	8.2
83.01389	10.5
85.02957	4.1
88.98818	3.8
89.02477	2.5
93.03474	4.9
95.05034	7.1
96.00919	3.3
97.02964	6.8
99.04520	4.3
101.02428	3.0
103.91999	2.5
107.05035	3.7
109.02952	18.3
111.04546	4.7
113.02449	4.9
113.07230	3.6
114.05633	2.2
114.94924	3.3
119.05056	3.4
121.02960	8.5
123.04542	21.6
125.02446	22.9
127.05154	3.2
128.03578	3.2
130.08740	9.3
131.07191	2.6
133.02922	3.4
134.03748	2.7
135.04520	26.7
135.05501	3.0
137.02454	10.9
137.06111	7.1
139.04019	15.2
140.07147	2.4
149.02426	4.7
149.06108	4.9
151.04025	6.6
153.05513	2.8
161.02437	9.4
163.04018	4.1
165.01985	4.6
165.05557	7.1
165.50031	2.0
167.03488	43.9
172.95488	2.1
177.05530	4.1
179.03513	16.8
180.04141	2.9
181.05087	3.8
191.03474	4.4
193.05084	9.0
195.06563	2.2
197.04573	9.2
207.06592	2.4
209.04559	53.4
219.02977	2.6
221.04613	13.1
223.06087	3.6
223.09753	2.5
230.81712	2.5
233.04520	5.6
235.06049	6.1
239.05591	26.9
245.08136	2.2
249.03918	2.2
251.05602	22.6
263.05652	5.1
269.06641	4.5
281.06662	12.6
293.06622	3.2
311.07675	2.7
323.07669	2.6
325.06836	2.4
331.08240	7.8
343.08353	2.6
361.09473	4.4
373.09329	100.0
374.09674	6.1
403.10352	90.2
404.10721	6.9
415.10397	5.4
433.11377	33.6
434.11868	4.4
445.11508	14.1
463.12546	17.4
475.12424	11.2
493.13541	19.2
505.13895	4.3
523.14185	3.7
539.32007	8.4
583.16779	11.4
583.26721	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2618
Annotation	Ebracteatoside B
Peak:m/z	Relative Intensity
55.01880	4.2
57.03452	5.9
58.00585	5.8
59.01389	100.0
61.98841	21.1
71.01389	78.7
71.15320	5.1
72.99303	11.3
73.02950	14.9
81.78738	2.7
83.01376	7.0
83.05038	3.1
85.02959	27.8
87.00883	8.8
88.04022	3.1
89.02457	79.0
92.81631	3.0
95.01399	5.8
97.02951	4.3
99.00881	8.0
99.04541	6.0
101.02456	57.8
109.40504	2.5
113.02461	38.9
116.07205	2.6
119.03518	38.7
125.02457	9.6
129.10352	2.4
130.08768	3.6
131.03508	7.6
132.02209	3.3
133.02982	4.7
134.03682	2.7
135.04558	18.1
136.04842	4.6
143.03528	10.3
149.04584	4.5
161.02487	24.0
161.04565	15.7
161.05695	2.4
162.02821	5.6
171.70512	2.7
175.04031	4.0
179.03549	8.3
179.05598	21.5
215.05672	3.6
220.28831	2.7
220.36646	2.2
235.20963	2.3
258.96323	3.1
289.16714	6.2
293.08734	2.9
307.65338	2.7
311.85770	2.6
421.20731	33.3
547.21759	3.7
583.26062	78.5
583.37708	8.9
584.26208	9.1
584.36304	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	583.3103
Annotation	Caracurine V
Peak:m/z	Relative Intensity
55.32181	2.8
59.01403	3.9
61.98834	100.0
70.02962	3.7
71.31725	4.2
76.47658	3.0
79.83161	3.4
82.02977	6.9
85.96466	2.9
87.05650	7.4
96.00932	28.8
98.02518	7.3
113.03581	21.5
113.07253	3.5
114.05591	6.0
125.23698	3.4
126.01966	5.9
127.05131	12.2
128.03563	7.2
130.08762	27.8
131.04660	5.5
155.11864	4.2
163.08716	3.6
166.08728	11.9
181.13516	6.1
183.15009	23.2
193.65004	3.1
202.00700	3.2
227.14040	85.1
228.14346	3.9
256.19757	3.2
345.22830	3.0
355.20053	3.8
468.28436	3.9
548.27325	69.3
549.27283	4.6
565.29932	21.7
566.28461	13.0
583.30945	92.1
584.31464	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	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98529	0.5
69.84345	0.8
69.84753	1.7
70.94434	0.5
85.96689	0.4
94.35729	0.4
118.90009	0.5
140.63800	0.5
272.63135	0.5
344.82346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13267	0.6
61.98836	100.0
69.04507	2.7
69.04935	4.0
69.48877	0.6
73.57861	0.5
75.06025	0.6
78.26427	0.6
84.51233	0.6
95.75359	0.6
110.65349	0.6
113.03598	0.9
130.08759	0.7
146.59650	0.6
169.58661	0.6
177.89069	0.6
183.15074	0.8
192.79642	0.6
201.73195	0.5
227.14125	2.0
228.14282	0.8
549.27789	2.7
566.30304	1.0
584.31342	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	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69586	1.5
61.98833	100.0
69.89960	6.1
134.18607	1.3
135.54320	1.4
139.93436	1.5
165.56165	1.4
222.22400	1.4
278.91455	1.4
306.84744	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	584.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01392	0.3
61.98832	100.0
63.35633	0.2
69.24787	0.8
69.25202	0.5
71.01389	0.2
85.04394	0.2
101.02462	0.3
101.18547	0.2
112.30143	0.2
160.31151	0.2
193.78001	0.2
200.92223	0.2
205.59875	0.2
376.28607	0.3
490.23465	0.2
543.70880	0.2
545.64282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31210	1.6
57.03449	3.1
59.01364	7.3
60.92608	1.6
61.58659	1.6
61.98840	11.9
62.24781	1.8
62.93722	2.1
71.01371	2.7
71.02488	5.2
71.32635	3.8
73.02946	2.0
73.03717	2.2
73.04077	31.8
74.02443	3.2
74.80991	1.7
83.02503	3.8
85.02933	2.7
86.88570	1.6
87.61465	1.7
96.00906	3.8
99.01928	2.1
101.02431	3.7
109.04050	7.6
110.02510	9.3
110.03587	5.6
111.01987	3.2
113.02423	3.0
113.02828	2.2
113.03587	30.1
114.05627	59.8
116.05048	4.5
125.02402	4.6
126.06703	4.6
128.03619	3.5
128.04616	14.8
129.10324	3.6
130.06174	5.8
130.08699	5.3
133.02866	2.6
135.04465	3.5
139.08751	3.3
140.07143	5.7
141.10313	3.8
142.06688	16.1
143.11923	2.4
152.04579	8.2
153.01900	2.0
153.03069	10.5
161.02411	2.1
164.34537	1.9
169.06027	2.4
169.07339	38.0
169.09717	8.8
170.05737	12.2
171.04016	2.3
180.06917	3.3
182.71529	1.7
186.12390	5.6
187.08383	92.8
188.08502	1.9
212.05792	3.2
240.17062	4.7
256.20108	4.6
262.59439	2.0
281.12762	6.1
297.19110	5.6
300.16574	2.8
328.14194	2.5
334.17584	2.0
348.41904	2.1
387.23792	3.5
469.22031	9.8
584.27893	100.0
585.27795	12.5
599.59894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
61.98836	1.4
69.01168	4.3
69.01591	6.1
71.01373	2.3
71.55624	0.8
79.46239	1.0
81.85724	0.9
85.02801	0.8
101.02478	1.1
108.02187	15.3
113.02457	1.1
121.02959	8.0
122.03719	2.3
189.13336	1.0
361.26282	17.5
362.27002	100.0
363.27316	8.1
426.10382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.9
71.01389	2.4
77.66438	1.4
79.84660	1.4
85.02957	1.7
87.23843	1.4
95.01360	1.4
98.21770	3.0
99.02551	1.7
99.90756	1.5
103.42852	1.8
108.02182	17.7
121.02963	10.6
122.03781	1.9
152.97272	1.3
161.04514	1.6
168.09512	1.4
170.85590	1.5
177.97516	1.5
229.35022	2.0
246.98845	1.4
261.18533	1.8
316.23389	2.3
361.26227	15.8
362.27032	100.0
363.27228	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	585.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54047	3.1
55.01885	4.1
57.03447	4.9
59.01387	49.4
61.98851	26.2
62.23345	2.8
69.52958	3.0
71.01392	67.9
71.32954	4.3
72.99303	4.3
73.02944	21.4
83.01397	13.4
85.02972	20.4
87.00859	5.6
89.02448	35.3
94.98096	3.3
95.01423	5.4
97.02954	5.4
99.00903	7.0
99.04522	4.7
101.02454	55.1
113.02452	24.9
119.03532	8.5
125.02457	14.1
125.45494	2.8
140.97365	2.6
143.03549	5.3
159.03001	4.4
161.04582	12.2
179.05710	5.2
229.83675	3.3
291.18079	23.7
292.31329	3.3
337.07480	3.1
381.02460	3.0
393.36441	3.5
423.22363	66.4
424.22714	5.4
453.23468	13.0
546.44153	3.2
585.27704	100.0
586.27997	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	585.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01363	4.6
61.98829	7.0
68.91339	1.3
70.02982	2.4
70.36835	2.0
70.37170	3.0
71.01353	5.8
73.02921	2.8
73.04044	4.9
74.02478	27.5
82.02972	2.7
82.06608	1.6
84.00883	2.7
85.02929	2.3
87.00853	2.0
89.02450	1.8
96.00912	1.8
101.02421	2.7
101.07201	2.7
109.04063	4.6
112.02778	3.7
112.07642	1.9
113.02440	3.1
113.03581	1.5
116.07175	3.0
124.04017	5.8
125.02416	3.0
125.03565	1.6
126.05636	2.1
127.04247	2.1
127.05142	31.2
128.03505	4.6
129.10358	39.8
130.08771	10.1
134.03719	2.8
135.04483	1.7
139.08759	4.7
140.07198	2.2
141.06711	3.1
143.11858	3.0
145.06207	2.4
151.08777	24.6
155.08279	9.3
161.02454	1.6
161.04599	1.6
165.05411	2.4
166.06169	9.7
167.04565	7.7
168.11395	6.2
169.09779	4.4
173.09282	5.9
179.03424	1.4
183.15048	2.1
184.07320	9.1
185.16592	2.7
186.12395	5.0
186.20981	1.5
193.05043	4.8
195.14883	1.4
197.16615	2.6
207.15025	2.0
211.14394	2.5
225.13466	1.8
225.16010	3.2
242.05844	3.6
242.18761	19.6
243.14458	2.8
253.09232	2.6
253.16756	1.8
256.20346	2.2
257.08279	6.9
279.14639	23.7
284.23544	2.5
286.17764	1.9
297.15692	14.9
341.25842	1.9
349.18585	7.3
353.21915	1.6
355.27023	11.5
387.23441	1.6
399.26007	3.4
456.28250	2.9
523.31317	1.9
549.20294	3.4
555.35181	6.8
567.31494	100.0
568.31897	11.0
585.32391	85.7
586.32684	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	586.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
58.02981	1.1
58.06195	0.7
59.01373	3.2
61.98840	1.3
69.39330	1.6
69.39734	4.0
69.82638	0.7
70.02987	0.8
71.01374	1.3
73.04070	7.4
82.02966	1.1
82.06625	1.3
84.04531	3.9
85.02969	0.8
87.05642	10.0
88.04070	0.8
94.06616	0.9
96.96017	0.7
97.04078	2.2
98.02477	2.2
98.68865	0.8
99.04498	1.5
101.02444	1.0
102.05615	35.8
109.04084	1.2
110.02470	1.0
115.05138	16.9
125.02481	1.0
125.07169	1.0
126.06754	12.3
127.05148	2.0
128.03548	100.0
129.03902	1.8
129.10365	4.8
130.08742	22.8
139.08748	1.2
140.07195	6.1
141.70000	0.7
144.07800	11.0
146.03438	1.5
146.04604	30.5
153.10356	1.7
154.12404	1.6
155.08264	0.9
155.11899	4.4
157.13495	1.3
167.11911	1.0
168.07787	22.8
169.06146	1.3
169.09868	0.8
169.13460	1.0
171.15038	5.4
182.12965	2.4
183.11423	2.1
186.08841	14.9
197.12917	1.2
197.16504	1.1
199.18169	2.6
207.14912	1.8
208.13406	2.4
215.14009	5.3
225.16032	3.9
241.11934	1.5
242.18687	1.6
243.17166	2.1
252.20818	3.0
259.12973	1.2
270.21878	5.0
281.16464	1.6
284.23431	1.6
295.21359	1.2
300.15619	1.0
306.63400	0.8
314.21051	2.1
327.24280	1.9
328.22461	2.1
355.27295	1.1
357.38303	0.8
369.25089	1.1
389.25211	1.0
395.22568	1.0
399.25980	4.2
413.24066	35.7
414.24451	2.7
439.25644	1.9
442.20261	1.2
443.25363	1.1
457.26630	13.7
458.27255	1.8
498.29416	2.3
542.28320	66.6
543.28625	6.9
558.79700	0.9
568.30005	2.9
586.30945	76.8
587.31238	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	587.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31024	0.3
61.98832	100.0
66.02336	0.3
69.09687	3.3
70.52081	0.3
81.53452	0.3
111.02830	0.3
125.46941	0.3
162.87076	0.3
274.82697	0.4
358.26923	0.3
591.05914	0.4
599.10840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00656	0.3
57.31795	0.4
59.01390	0.4
65.96349	0.4
72.99303	1.9
75.00877	100.0
76.01240	0.4
85.26527	0.3
98.22548	0.8
104.68050	0.3
111.85928	0.3
112.71413	0.4
244.35971	0.4
269.49020	0.5
277.21866	0.7
446.08664	0.4
481.12848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70526	0.5
70.97657	0.5
72.45600	0.5
72.99307	1.7
75.00881	100.0
76.01222	1.1
76.69296	0.5
80.96540	1.2
84.55926	0.6
94.49194	0.5
137.58479	0.5
213.67909	0.5
277.21869	0.7
589.27509	1.3
618.45111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	62.9
59.01384	82.8
61.98835	100.0
69.16302	34.0
71.01386	59.3
72.99297	5.2
73.02937	13.1
74.02479	5.2
75.00841	4.4
76.85032	3.8
78.38125	3.7
83.01379	8.4
85.02962	21.7
87.47878	4.0
89.02460	19.8
96.00858	4.4
99.00849	5.5
99.04526	59.5
101.02449	53.4
108.04584	4.0
111.04493	7.9
113.02428	24.5
115.07658	4.7
116.92896	10.0
117.92883	4.3
119.03494	4.1
125.02456	52.7
130.08710	3.7
133.01414	4.2
133.03006	7.5
135.04492	11.8
137.09720	29.1
143.03506	7.5
158.11819	4.7
161.02406	15.3
161.04536	9.5
163.11282	35.6
179.03435	8.5
203.10785	50.2
204.11099	4.0
221.11841	6.6
223.13469	4.5
249.95222	3.9
267.12436	8.0
269.08832	4.0
284.03329	12.5
285.04114	19.0
323.07809	4.4
347.15009	15.1
365.16125	22.7
383.17117	74.1
384.17136	6.0
425.18213	59.2
426.18277	6.3
439.48474	4.4
446.17542	6.7
447.09109	4.3
465.21268	15.2
474.23453	41.3
475.23758	5.3
489.10172	8.4
527.21179	32.4
590.17230	4.2
590.33374	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	37.7
59.01380	28.9
59.92609	3.3
61.98832	90.0
69.20085	3.4
70.85073	8.8
71.01379	20.0
73.02966	3.5
85.02956	14.5
87.00877	3.6
89.02454	7.8
99.04537	44.0
101.02460	21.5
103.68454	3.5
109.02882	4.2
113.02468	10.2
119.03481	5.6
119.23071	4.0
125.02459	37.9
135.04515	7.4
137.08409	3.4
137.09796	7.6
161.04500	4.5
161.09764	7.4
167.46211	3.5
169.13423	4.0
203.10786	10.5
221.11826	100.0
222.12215	7.6
229.14349	5.9
270.77911	3.7
365.16156	6.2
383.17007	18.2
425.18149	8.1
474.23441	4.6
527.21417	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	591.2616
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.99192	0.7
71.34109	1.5
75.45353	0.9
85.71411	0.8
90.54962	0.7
91.06434	0.9
98.92673	0.9
138.94307	0.8
172.46045	0.8
195.37096	0.9
198.19193	0.9
248.89122	0.8
343.73352	1.1
381.94333	0.9
443.22708	1.1
445.20236	1.2
471.21576	1.4
482.21420	1.1
487.25189	1.3
497.23654	1.7
499.21527	1.7
500.22211	7.6
514.23621	1.0
515.24591	100.0
516.24902	10.7
559.23962	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	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71510	2.3
52.74309	2.2
55.01894	2.7
57.03450	54.7
59.01090	3.9
59.01380	69.7
61.98825	10.2
71.01384	33.4
71.04664	4.6
73.02940	8.6
83.01418	4.4
85.02959	11.6
87.00883	2.8
88.55379	2.2
89.02460	11.4
94.05887	2.3
95.01421	3.1
99.00874	7.5
99.04525	55.9
101.02454	24.2
105.65472	2.2
111.00860	2.4
113.02462	13.8
125.02449	26.8
135.04514	4.3
143.03552	2.7
159.03070	3.4
161.02425	6.3
161.04556	18.9
172.97658	2.6
232.72874	2.3
315.18097	9.7
329.16446	2.3
341.34393	2.1
345.36319	2.1
429.21497	12.6
447.22278	100.0
448.22681	8.2
489.22766	3.4
564.34308	2.8
591.26422	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	592.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	70.7
59.01384	100.0
60.63058	6.0
61.98829	62.4
69.03448	5.8
69.57041	22.7
69.57454	15.2
71.01382	67.4
73.02953	24.9
74.02473	5.4
82.03011	6.6
83.01389	10.4
85.02956	11.1
87.00879	9.2
88.04053	10.8
89.02454	36.4
93.03455	9.0
95.01402	10.0
95.02045	5.8
96.00959	7.1
96.96030	20.6
99.00909	9.1
99.04536	69.6
101.02438	54.7
113.02451	35.1
113.03588	7.1
115.00410	8.9
116.92900	7.1
119.03532	13.4
119.04996	6.7
123.04515	10.6
123.16991	6.7
125.02451	45.0
127.05187	7.5
128.03552	6.3
135.04553	9.0
143.03513	11.1
144.99890	6.3
149.04552	7.7
153.06738	8.8
161.02477	7.0
161.04591	27.9
175.00421	11.2
175.02536	13.8
179.03407	6.1
179.05623	16.2
203.08275	6.2
221.06728	7.5
221.17502	6.0
283.06076	8.2
293.04568	86.3
311.05527	9.7
323.09735	10.2
353.07285	6.6
383.07858	9.6
413.08771	59.2
431.23056	14.3
449.24042	21.3
472.19083	7.5
473.10580	12.2
482.06992	5.8
529.22980	25.8
592.28400	22.5
593.14795	46.5
593.28485	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	592.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85721	2.0
57.03176	3.8
57.03453	47.9
59.01388	64.5
61.91459	2.0
61.98840	100.0
71.01392	22.1
73.02946	14.8
83.01379	4.5
85.02955	2.8
87.00843	2.4
89.02474	12.0
89.02956	2.2
98.22606	5.0
99.04537	69.1
101.02450	34.5
112.38417	2.0
113.02478	12.2
119.03532	4.8
123.04546	4.0
125.02465	36.2
128.21700	2.0
143.03520	7.4
149.04573	4.2
160.53070	2.2
161.04570	9.5
175.21899	2.0
179.05519	2.6
192.35335	2.1
197.25616	2.0
204.20018	2.2
219.73906	2.5
221.06636	3.7
299.22824	2.2
380.09302	2.3
385.18610	5.7
427.19882	15.2
428.20032	2.6
467.22882	3.9
529.22980	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28436	4.2
57.03454	64.4
59.01388	88.6
59.93898	3.8
61.98841	96.2
64.67929	3.8
69.38741	14.9
69.39153	12.8
71.01393	34.1
73.02960	8.5
73.04053	4.5
83.01369	4.2
85.02981	7.2
89.02445	13.1
96.00919	5.6
96.96002	5.6
97.80368	3.9
98.22697	4.9
99.04535	100.0
101.02448	34.5
102.05643	7.0
102.36786	4.3
109.06629	6.2
113.02467	13.0
116.60426	4.9
116.92892	9.2
119.03489	5.4
120.62933	4.6
125.02474	53.2
127.05138	8.5
128.03545	16.5
137.09732	11.5
137.32823	3.9
143.03532	9.5
161.04607	11.8
179.05714	8.2
179.10828	43.3
203.05644	12.9
205.12370	20.7
220.37424	5.1
223.13451	38.6
224.13835	5.8
241.04857	4.2
247.43681	4.6
259.15433	4.0
267.12131	5.5
278.17438	4.7
297.07669	5.3
353.06573	6.9
449.23859	9.8
465.47778	4.6
470.26743	4.7
485.23880	4.7
529.22443	27.1
575.14020	15.8
592.26416	5.7
593.15356	15.1
593.28961	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	592.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65185	4.5
57.03459	43.9
59.01387	68.8
60.01714	4.9
61.98840	63.7
66.17671	4.5
71.01411	22.7
73.02945	17.9
73.64740	4.3
82.19557	4.6
83.01380	7.1
85.02968	9.1
89.02459	11.2
93.28086	5.0
98.21740	10.6
99.04527	59.1
101.02483	27.5
113.02460	12.4
119.03563	8.8
120.46815	5.4
123.04523	4.6
125.02468	50.7
126.17579	5.2
147.08192	5.0
161.04610	9.6
163.11305	32.0
175.11334	12.0
205.12383	100.0
220.16455	6.3
221.06709	10.0
223.13484	8.9
224.13707	7.7
263.07700	13.9
267.12326	7.7
285.65552	4.6
367.17566	6.8
376.20251	5.0
427.19843	6.0
529.23029	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	41.5
59.01388	28.2
61.98838	100.0
68.88208	2.3
69.45878	12.1
71.01388	15.8
73.02946	6.4
74.20273	2.4
79.80654	2.2
83.01372	4.8
84.02170	23.2
85.02959	2.7
87.00853	3.7
89.02460	9.2
91.74118	2.2
91.80302	2.2
99.00932	3.5
99.04533	59.1
101.02448	26.7
113.02432	6.4
119.03509	5.5
119.05009	4.6
125.02463	41.1
128.03531	3.2
143.03523	4.4
145.02934	4.3
161.02467	6.1
161.04570	7.0
163.04001	4.2
179.03528	2.9
179.05641	3.2
205.12364	20.5
223.13438	25.5
234.38098	2.3
323.10425	2.5
367.17621	17.0
385.18594	15.2
427.19781	14.7
467.22952	2.7
485.23883	2.8
529.22980	21.7
530.23352	5.1
592.28265	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	592.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.1
58.32639	2.0
59.01383	21.7
59.43550	2.2
61.21316	2.3
61.98836	100.0
69.11019	24.7
71.01387	11.6
73.02923	3.6
84.02160	7.2
85.02930	4.2
87.00896	3.1
89.02458	4.9
98.21702	4.1
99.04520	23.2
101.02444	7.4
113.02446	4.5
116.92901	2.3
125.02438	14.6
133.02954	6.5
135.04515	3.7
161.02481	15.7
162.02739	3.5
179.03510	3.9
179.05449	2.1
205.12329	8.8
223.13414	10.7
297.63071	2.4
348.74246	3.1
367.17487	3.9
385.18683	10.1
427.19644	8.8
447.66946	2.4
511.77396	2.7
518.63379	2.4
529.22809	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21696	2.3
57.03457	53.6
58.03806	2.9
59.01089	5.8
59.01388	100.0
60.01717	5.7
61.98841	56.7
65.37698	2.5
68.07006	2.6
69.17941	25.0
71.01395	55.4
72.01742	4.4
72.99320	5.0
73.02965	18.9
73.78895	2.5
82.95408	2.6
83.01406	8.5
85.02971	11.6
87.00903	5.8
88.98756	2.6
89.02458	47.3
90.02824	4.1
95.01412	6.7
96.00922	2.8
97.02963	3.5
97.06635	3.5
98.21796	5.9
99.04532	59.3
100.04872	5.8
101.02468	49.5
102.02792	5.4
107.01413	3.0
113.02457	21.9
113.03658	2.8
113.06113	5.4
114.02821	3.1
119.03513	15.8
119.05088	3.0
123.04536	5.2
125.02454	26.9
127.05145	4.2
128.03566	6.6
131.03493	4.0
133.23613	2.5
135.04524	5.3
143.03540	7.5
145.03026	4.8
151.00409	5.5
153.09309	3.2
155.81830	2.7
161.02495	12.4
161.04567	18.5
161.13484	4.5
162.04884	3.1
163.00391	3.2
165.09209	3.8
169.06584	3.1
175.04048	11.0
176.04796	8.7
179.03438	3.1
179.05714	17.8
179.10762	3.5
180.05969	5.1
187.11296	7.8
188.11691	8.1
205.12379	19.1
206.12724	12.3
213.05574	3.8
218.10321	2.9
221.06705	4.8
223.13425	32.2
224.13774	11.2
227.03519	33.1
228.24745	3.0
229.05101	12.4
249.11314	21.1
250.11658	22.9
251.12852	6.4
255.03046	52.3
256.03806	4.4
257.04694	6.7
263.07886	3.8
267.12442	5.1
268.12784	7.3
277.10391	2.9
284.03271	65.8
285.04099	85.0
339.09006	4.7
357.13541	26.9
359.17209	3.2
360.17545	8.0
401.12488	5.9
412.16925	8.0
413.12631	7.7
428.45490	2.9
429.17728	8.5
430.18158	23.7
431.18869	6.4
485.24493	3.4
529.22961	11.7
575.14154	3.7
592.23608	12.3
592.31763	5.0
593.15167	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22083	0.2
61.48930	0.2
61.98817	0.3
62.75840	0.2
69.80090	0.9
77.03959	0.3
80.96523	0.3
91.01907	0.3
93.03458	0.3
98.21880	0.2
109.02783	0.2
120.02174	0.5
121.02972	100.0
122.03307	2.4
122.04050	0.3
131.30403	0.2
136.01657	0.4
155.30579	0.2
160.00465	0.2
165.01938	4.6
172.61292	0.2
179.05101	0.2
180.05820	0.5
181.05112	0.3
181.06607	2.3
197.06093	1.6
207.04558	0.9
209.04565	51.5
210.04933	2.0
223.03960	0.3
225.05582	1.7
257.09775	0.6
301.08783	0.4
313.07294	1.5
314.07495	0.3
357.06216	0.9
383.07803	1.2
397.46042	0.2
417.09875	1.3
505.11362	2.9
506.11749	0.4
549.10406	6.3
550.10785	0.6
583.40302	0.2
593.13037	7.5
593.26550	0.7
594.13525	0.8
610.37463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
60.02872	0.6
60.99312	15.1
62.98230	0.6
64.58090	0.6
67.49486	0.6
71.01379	1.2
71.32233	1.0
87.03876	0.6
88.98812	100.0
89.02463	1.0
89.99177	0.7
101.02459	1.0
103.24276	0.7
133.02979	4.8
135.04538	5.5
144.97247	0.8
161.01123	1.5
161.02452	25.3
179.03505	9.2
188.23335	0.7
203.03523	1.5
297.07477	1.2
307.06738	0.7
318.16415	0.7
325.07205	0.8
341.08743	10.6
353.06686	1.7
383.07397	1.1
467.15848	0.7
503.14130	9.8
504.14270	1.0
593.14880	2.7
594.25891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
61.33241	2.2
71.01353	1.7
71.31315	2.3
117.03463	5.9
119.05055	3.1
135.04543	2.1
149.02444	2.2
151.98199	2.1
161.02397	3.7
161.06253	1.8
163.83881	1.8
177.05685	2.4
189.71323	1.9
191.03513	2.3
282.05408	2.4
295.06107	6.1
296.06934	2.6
297.07651	21.3
307.05991	3.6
309.07486	3.2
311.05594	3.1
323.05759	3.4
325.07355	9.2
328.05621	2.8
337.07217	4.4
353.06714	48.6
354.06796	3.6
365.06802	4.6
383.07755	29.1
384.08093	3.3
395.07736	4.3
413.08801	3.5
473.10867	19.2
503.11703	4.9
507.88266	1.9
533.66064	2.1
593.15118	100.0
594.15381	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83823	0.5
58.13798	0.4
61.17026	0.4
61.98832	9.4
63.02375	0.9
77.40665	0.4
90.41843	0.5
93.03449	1.7
107.01393	2.3
108.74755	0.5
111.36174	0.5
127.38104	0.6
132.02193	1.1
132.85823	0.6
135.00832	1.7
143.05014	1.1
145.02983	0.8
151.00366	3.2
157.06511	0.8
159.04510	1.5
163.00372	2.8
165.01926	0.5
169.06564	1.0
171.04605	0.9
174.03194	0.5
183.04512	1.2
185.06161	2.2
187.04056	3.4
189.05545	1.3
195.04539	0.7
197.05937	1.0
199.04019	0.8
201.05609	0.7
211.03989	2.4
213.05577	2.1
227.03511	34.0
228.03926	2.2
229.05064	13.3
230.05447	0.5
239.03528	2.3
240.04195	1.8
241.05032	1.6
255.02998	60.2
256.03598	6.0
257.04541	8.0
267.02960	1.3
283.02466	1.3
284.03281	62.9
285.04047	100.0
286.04346	5.7
327.05072	1.0
367.91339	0.5
373.21631	0.5
516.42432	0.5
533.26001	0.6
593.15155	88.9
594.15491	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77316	0.6
57.03422	2.8
59.01382	5.4
61.82023	0.7
61.98829	5.2
63.02391	1.4
65.00328	0.6
67.00821	0.6
69.15515	1.5
69.15929	4.6
73.02959	1.4
80.57067	0.6
82.95433	1.2
83.01363	1.4
85.02942	2.1
87.00856	0.7
89.02445	2.2
96.00925	1.1
96.25066	0.6
99.04523	2.5
99.42368	0.8
101.02460	3.5
107.01376	2.2
109.02939	0.8
113.02442	1.0
117.03445	0.9
119.05041	1.3
121.02919	1.0
125.02424	1.6
128.03531	1.4
133.02969	5.4
134.03757	4.0
135.04497	1.8
142.51268	0.6
149.02440	2.4
150.00180	2.6
151.00398	4.4
159.05626	1.5
160.01659	1.8
161.02490	4.7
161.04585	1.1
163.00412	0.7
175.04021	4.6
179.03436	1.3
185.06136	0.7
193.05038	3.9
199.03934	1.6
199.11948	0.7
201.72878	0.7
217.05090	1.2
227.03520	2.5
239.04031	0.7
243.03104	0.6
251.12633	0.8
251.65317	0.7
254.52425	0.7
255.02954	1.5
256.03796	4.6
259.40735	0.6
269.04495	1.1
284.03271	69.1
285.04041	92.4
286.04401	4.7
297.07471	0.9
309.03943	0.8
311.05530	1.0
323.05692	0.8
325.06989	0.8
351.04889	0.8
353.06680	3.1
355.09882	1.0
357.13663	1.3
383.07800	0.8
429.08249	1.1
447.09314	2.1
449.24139	1.3
455.09174	0.8
473.10599	1.0
506.11697	1.1
575.14124	5.1
576.14014	1.0
593.15155	100.0
594.15564	11.5
594.25934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	10.4
59.01382	30.0
59.22319	0.9
60.43877	1.0
61.98835	4.1
69.08765	10.7
70.43497	0.9
71.01385	19.6
72.99303	1.1
73.02944	4.1
75.90807	0.9
81.78593	1.0
83.01433	1.8
85.02960	4.4
87.00889	1.8
88.04063	5.5
88.98808	1.4
89.02456	13.6
93.03474	1.5
95.01409	1.6
96.00909	1.4
96.96060	1.3
99.04522	10.4
101.02448	13.2
102.30098	1.0
105.33265	1.0
108.08497	1.0
110.02454	1.0
111.04384	1.1
113.02457	6.3
113.03608	1.3
116.92880	4.0
117.03452	12.0
119.03509	5.1
119.05045	1.6
121.02974	1.6
125.02467	6.1
127.05170	1.4
128.03607	1.9
131.01355	1.8
133.02957	2.5
135.04543	3.7
143.03496	2.3
145.02911	1.6
147.04494	1.3
149.02419	1.6
159.04433	1.4
161.02458	5.8
161.04591	3.8
163.03999	2.8
173.02473	9.6
174.61024	1.1
175.00378	9.3
177.01903	2.2
179.03580	2.4
179.05612	5.3
191.03401	1.9
195.86038	1.1
203.03531	1.5
221.06499	1.7
223.13403	2.2
224.13722	2.1
236.10402	1.2
251.07124	1.4
269.04584	2.8
279.06805	1.2
281.04532	2.4
283.06128	7.7
285.03931	1.6
287.09769	1.2
293.04572	100.0
294.04950	5.4
295.06134	5.5
296.06873	1.4
297.07550	6.6
307.06088	2.4
311.05664	13.5
323.05588	8.6
324.06320	1.3
325.07251	3.7
328.06076	1.6
335.05768	1.8
337.07092	2.1
339.05103	2.7
341.06778	1.8
351.05161	5.8
353.06638	16.1
363.05045	2.0
365.06787	1.5
369.06128	8.0
381.06143	1.9
383.07773	7.8
399.07446	2.2
413.08798	67.6
414.09204	5.0
431.22980	3.8
449.24240	5.7
455.09995	2.6
471.09399	5.1
473.10898	13.5
489.04388	1.2
489.10391	8.7
490.10861	1.1
503.12509	1.5
507.78879	1.3
557.12891	5.1
575.14032	54.5
576.14429	4.3
584.28333	1.2
593.14978	33.0
593.28998	7.4
594.15460	2.8
594.31287	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01632	0.8
70.51900	2.8
75.00891	2.8
78.81541	0.9
78.95911	73.6
79.44411	0.8
88.20061	0.9
93.42195	0.8
96.96030	2.0
96.96972	12.6
100.44765	0.8
103.48586	0.7
105.44343	0.9
115.06451	0.7
117.68004	0.7
118.42513	0.9
141.47121	0.8
148.55846	0.8
150.98001	1.1
152.99608	100.0
153.99950	1.3
171.00659	3.1
186.35957	0.8
186.77719	0.8
198.46861	1.0
223.00142	10.0
237.00531	0.8
241.01212	29.8
256.25006	1.1
259.02335	2.0
277.21762	46.8
278.22083	3.2
315.04886	20.0
316.05365	1.6
593.27380	70.1
594.27710	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	593.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79773	1.1
53.46265	1.1
57.03452	30.7
59.01395	11.4
61.98843	9.7
64.59074	1.0
71.01387	8.7
73.02940	3.3
83.01399	1.8
85.02943	3.5
87.00887	1.7
87.20889	1.2
89.02450	2.1
94.05544	1.2
99.00862	1.6
99.04542	6.8
101.02447	9.8
113.02454	2.4
125.02444	2.7
137.17860	1.2
147.41969	1.1
156.66051	1.2
179.05679	1.1
269.21332	1.6
287.13831	1.5
287.22256	23.8
288.22812	1.4
331.73114	1.3
431.26495	8.9
449.27570	100.0
450.27750	7.3
457.88177	1.6
477.30524	2.4
491.21417	2.3
491.28650	48.5
492.28952	4.1
531.31848	11.9
532.32367	2.5
533.33466	1.8
593.16174	1.3
593.32477	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	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.22536	2.6
70.88543	5.2
71.39010	2.4
79.33076	2.3
91.85030	2.4
96.99306	8.0
126.45615	2.4
134.30864	2.6
141.01715	55.3
148.54987	2.7
160.43520	2.5
231.58473	2.6
285.81824	3.3
451.32782	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	594.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47778	2.3
55.66377	3.0
57.03455	48.2
59.01388	50.0
61.26388	2.5
61.98838	100.0
69.41864	18.1
71.01395	15.4
73.02963	12.9
75.19591	2.6
83.01409	3.9
85.02971	8.2
87.00874	6.2
89.02490	6.1
98.22589	3.8
98.97099	2.5
99.04534	61.9
101.02479	21.0
113.02467	7.1
119.05067	3.9
125.02451	30.4
128.03589	3.3
143.03526	6.6
151.00392	6.2
161.04572	12.9
189.12923	4.7
203.05722	5.6
207.13908	4.0
225.15007	22.4
271.06143	26.6
353.19522	4.0
429.21490	8.6
448.88879	2.8
487.25516	5.1
531.24414	39.0
595.25983	3.7
610.16180	2.8
618.23328	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	594.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10435	2.1
54.68263	2.2
56.63560	2.0
57.03452	38.1
59.01385	45.2
61.98832	100.0
65.00315	3.8
67.89095	3.1
71.01393	25.6
71.33126	4.4
73.02956	10.3
75.00864	4.3
83.01382	11.5
85.02973	5.9
87.00900	5.5
89.02459	15.1
95.01369	3.7
96.00922	2.1
99.04514	46.3
101.02447	29.3
107.01414	4.0
113.02467	10.7
119.03523	6.3
119.05024	2.6
123.04544	6.2
125.02456	34.3
126.02829	2.6
127.05164	2.2
133.02979	3.3
135.04552	16.3
136.04874	4.3
143.03494	4.3
151.00365	18.9
152.00751	7.2
161.02591	5.6
161.04576	7.1
162.11534	2.7
179.03564	3.1
179.05573	4.7
272.25693	2.4
287.05661	14.6
288.05972	17.4
387.20261	8.0
396.36676	2.4
418.48721	2.8
429.21243	4.5
430.02505	2.4
432.17340	2.8
432.23468	3.3
432.28976	2.5
450.11023	3.5
531.24622	33.5
532.24542	4.4
594.15405	3.8
594.24542	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	594.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25322	1.1
55.29479	1.3
57.03452	15.7
59.01388	24.2
61.98839	100.0
69.04754	12.1
71.01398	7.2
73.02940	2.5
74.02464	1.2
85.02974	2.9
89.02461	3.4
96.95986	1.3
98.21695	2.8
99.00930	1.4
99.04535	24.0
101.02450	9.7
104.35725	1.3
113.02461	3.3
117.03490	1.3
119.03525	1.3
125.02457	10.6
128.03545	1.3
133.98135	1.4
135.04596	2.3
143.03531	1.9
158.10365	1.2
161.02469	3.0
161.04578	3.7
165.03545	1.3
167.84544	1.4
172.94301	1.5
179.03496	1.6
229.11598	1.3
387.20313	5.3
429.21378	5.7
432.24445	1.7
464.44189	1.3
531.24390	14.0
532.24988	2.2
594.29712	1.8
595.34167	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	595.1677
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
50.27206	5.2
52.76246	5.1
65.00293	6.5
67.73782	5.2
69.63967	25.9
83.01410	9.2
91.39122	5.0
93.03474	6.1
93.45242	5.4
107.01427	8.5
121.02998	5.6
125.02471	41.3
151.00381	30.8
153.01965	14.4
173.06107	11.5
176.26088	4.8
178.99817	23.8
215.07152	15.6
243.06679	6.4
259.06158	100.0
260.06506	6.4
269.04587	21.8
558.86566	5.7
567.17200	70.9
568.17566	6.9
577.14868	6.2
595.16638	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17535	0.5
56.57582	0.6
57.82906	0.5
59.01385	3.7
64.80511	0.6
69.03452	1.5
69.32099	4.0
71.01379	2.9
85.02946	1.0
89.02452	1.6
95.05032	0.7
97.02974	1.9
98.21800	1.1
101.02448	1.6
107.05058	0.6
108.05832	0.9
109.02948	0.9
109.06577	0.7
111.04563	0.7
113.02444	0.7
113.06098	1.8
119.03517	0.7
122.03754	1.6
123.08204	1.9
125.02455	0.6
125.06098	1.7
132.02165	1.2
133.02974	17.2
135.04544	9.4
137.06087	1.0
138.06886	8.1
139.07680	5.3
147.08167	0.6
149.06110	1.4
149.09712	1.6
151.07657	11.8
151.08806	1.1
152.04778	0.9
152.08434	3.5
153.09225	11.7
154.09563	0.7
161.02458	100.0
162.02777	3.9
173.09698	2.1
175.07625	1.1
177.05624	1.0
179.03519	23.0
180.03857	1.1
191.10809	9.9
192.11232	0.5
201.76999	0.6
203.03537	2.7
209.11772	0.7
221.04587	1.1
253.10831	23.9
254.11325	1.1
260.98709	0.5
281.06717	0.9
341.08795	55.7
342.09119	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	596.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88134	0.6
54.46212	0.5
61.05621	0.5
61.98837	100.0
71.32005	1.0
86.85269	0.5
118.20862	0.6
149.84579	0.5
173.06639	0.6
320.15088	0.5
390.16489	0.8
451.17053	0.5
592.92725	0.5
596.21008	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	596.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
57.28358	0.8
58.94706	0.8
59.01387	4.4
61.98837	34.5
70.11321	0.7
71.01398	1.1
73.04082	8.4
76.31097	0.8
84.00912	1.5
88.98825	1.1
89.02502	1.0
95.02540	3.1
99.02041	3.0
99.04544	2.0
101.02453	1.3
105.76765	0.8
109.04144	0.8
112.05209	3.9
113.03595	4.4
125.02454	1.2
129.10381	9.9
130.06241	5.4
135.04640	0.9
139.08751	2.0
140.07103	1.0
141.10367	1.9
142.91621	0.9
151.08817	8.5
152.07164	1.4
155.08289	2.8
161.02463	1.0
168.11444	5.3
169.07365	3.5
169.09840	7.6
178.49014	0.8
182.13029	1.3
186.12517	10.1
187.08385	4.8
200.14064	1.0
207.15025	1.9
208.10915	0.9
212.10406	1.0
215.00450	0.9
224.17754	1.9
225.13605	8.4
225.15929	1.3
226.11963	1.5
229.00526	0.9
242.18808	2.2
243.14636	11.2
268.16754	1.7
281.19827	6.6
299.20822	6.9
300.17194	1.6
340.16339	2.7
356.23288	1.6
357.18915	5.7
396.22427	8.1
413.25327	6.8
452.28815	1.3
469.31088	2.0
488.34338	0.9
502.35938	0.8
544.15747	0.8
566.33130	100.0
567.33496	9.9
578.33154	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	596.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	14.1
69.17315	2.5
69.17738	3.3
81.03465	9.6
81.66232	0.6
83.05032	26.8
84.05390	0.7
95.55225	0.6
98.04973	0.7
100.07697	4.3
105.09225	0.6
107.06144	0.7
110.23705	0.6
118.17255	0.6
149.23167	0.6
174.24582	0.6
175.96394	0.5
199.18179	5.3
199.42337	0.6
224.17694	1.6
225.16084	6.8
226.14577	0.8
243.17128	21.1
243.19621	1.3
257.03726	0.7
269.14908	1.1
285.03802	0.8
286.03970	0.8
287.04611	1.0
309.22183	0.7
336.88455	0.6
341.29465	0.8
353.20840	4.9
383.13840	0.6
425.35760	0.7
469.34073	8.4
539.88757	0.7
579.37787	1.3
596.15887	2.3
596.40320	100.0
597.40692	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	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	60.5
70.82708	5.5
85.51460	2.3
121.02960	3.8
122.03786	4.7
146.03731	12.2
149.02455	31.9
150.03259	54.7
164.04793	12.0
165.05591	88.3
179.07149	29.4
180.04318	5.1
195.06635	100.0
312.09991	11.0
327.12415	52.9
328.12656	4.6
375.14481	24.5
376.15073	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	597.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	83.5
59.01384	68.7
59.45454	2.0
61.98837	19.9
66.12462	1.8
70.64544	5.2
70.64915	1.7
71.01379	33.1
72.99305	2.6
73.02938	11.1
77.10477	1.5
81.03442	2.3
83.01388	4.0
85.02962	5.8
87.00880	2.8
88.98792	2.0
89.02451	23.9
95.01369	3.1
99.04533	40.4
101.02451	36.8
104.50079	2.0
113.02486	15.1
119.03505	10.5
123.04510	2.0
125.02455	16.9
143.03502	3.9
147.15877	1.9
149.04561	1.7
151.07599	5.8
152.08423	8.0
161.04579	6.5
163.30328	1.7
179.05626	6.5
217.12410	2.4
259.19379	1.7
273.18600	2.2
291.19611	3.8
435.23926	24.6
436.24261	3.4
453.24963	100.0
454.25229	12.3
495.26062	33.2
496.26245	3.3
535.28967	5.4
597.29163	20.4
598.29163	3.5
606.04346	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	597.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40380	0.3
59.01359	0.9
61.98829	1.9
71.01376	0.6
81.03461	12.2
83.05032	36.3
84.05369	0.7
86.75365	0.3
89.02451	0.4
92.07439	0.3
96.96008	0.3
100.07691	6.1
101.02456	0.4
108.04588	0.4
125.02420	0.4
125.07189	0.4
126.05621	1.1
127.04015	0.7
130.08728	0.5
135.04488	0.3
161.02417	0.4
167.03481	0.3
173.99535	0.3
182.15627	0.3
199.13358	0.9
199.18158	7.8
200.18573	0.6
207.15059	0.8
224.17618	0.6
225.16084	8.8
226.16432	0.5
236.09453	0.3
243.17128	19.9
244.17444	1.1
269.15076	1.2
273.06726	0.3
291.20889	0.4
308.23337	0.3
309.21866	1.2
353.20825	7.7
354.21240	0.4
397.13278	0.4
433.32101	0.6
451.32974	2.0
452.31903	0.3
468.07147	0.3
469.33975	15.4
470.34479	1.9
534.32867	0.3
553.39789	0.4
561.37280	0.3
579.37689	2.7
597.38708	100.0
598.39105	12.2
598.46899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	5.8
70.19528	2.9
70.19877	7.8
74.02480	18.0
86.02472	5.4
87.05630	4.7
99.05635	14.5
101.07202	2.3
109.30145	2.0
111.05621	3.3
114.95327	2.3
116.91140	2.0
118.35574	2.0
127.05154	4.0
128.03551	39.4
135.05684	4.2
141.06668	3.4
143.04633	56.6
144.89468	2.1
146.04572	6.0
153.06750	4.7
160.00723	14.5
160.25085	2.4
167.04608	4.6
167.08282	3.1
177.03383	4.5
179.04633	12.8
185.05814	2.6
197.05653	2.5
210.08891	11.6
254.07841	21.5
272.08908	34.2
288.06717	12.7
306.07684	100.0
307.07742	5.9
418.94421	3.1
510.72708	2.2
598.28162	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	598.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60426	0.8
59.01384	98.6
69.70771	3.9
75.00846	1.5
78.95896	1.4
87.63101	0.8
102.95705	2.5
103.01506	100.0
153.53964	0.8
155.21957	0.8
172.62373	0.8
215.93710	0.9
230.87543	0.9
265.12015	0.9
330.60172	0.9
433.28873	0.9
480.31235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69407	2.0
59.01371	9.1
61.98835	5.4
69.32607	8.9
69.33023	4.9
71.01374	6.6
74.02481	5.3
78.95888	2.2
79.94129	1.9
82.06618	4.5
83.68998	2.2
86.33907	1.9
87.05657	2.0
88.04037	2.4
89.02457	4.2
96.96002	2.6
97.03992	2.3
98.02504	3.4
101.02451	6.2
102.05624	4.6
109.01713	2.5
113.02435	4.2
113.03609	3.3
113.07206	3.4
119.04966	2.2
124.04009	2.0
125.02451	7.2
125.23868	2.4
127.05129	3.3
128.03540	18.9
129.10336	6.0
130.08742	50.9
132.02205	9.5
134.02477	3.4
134.03743	9.4
134.57872	1.8
135.02835	3.3
139.08743	2.2
141.10309	2.5
143.11903	12.9
145.02940	2.4
145.09846	2.0
146.04649	2.9
149.06090	2.1
158.06363	1.8
160.01666	52.6
161.02029	2.5
161.04597	2.2
162.74951	2.1
175.04016	90.5
176.04453	5.1
191.07167	3.4
193.05064	25.5
199.18132	19.1
205.05170	1.9
209.09175	1.9
217.05060	8.4
229.12004	17.6
235.06154	3.3
241.01224	4.5
243.17136	100.0
244.17430	4.5
256.92917	2.1
273.14551	10.2
355.10345	33.9
356.10699	2.5
369.49948	2.1
381.14279	2.3
470.30991	5.3
582.29095	2.7
599.35608	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	600.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20158	0.6
52.17970	0.6
53.19717	0.5
59.37086	0.6
61.98834	100.0
65.22379	0.5
69.39444	1.3
69.39851	3.3
75.20534	0.5
118.93256	0.7
331.71613	0.6
400.54269	0.7
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
58.02967	12.8
62.68966	4.2
69.79529	3.9
70.55733	4.5
70.62824	5.2
70.63167	8.1
74.02473	26.7
82.02981	4.6
84.35653	4.1
86.02483	10.7
87.05661	4.8
99.05673	19.7
101.07193	10.1
102.05628	4.1
112.04120	4.0
125.03607	5.2
128.03552	73.8
135.05663	11.1
138.42119	3.6
143.04642	100.0
145.06224	7.1
146.04611	11.3
153.06711	6.5
166.09819	4.3
167.04628	6.7
171.60606	4.8
179.04626	27.8
185.05618	4.9
210.08867	21.4
254.07829	50.4
255.08244	5.3
272.08920	96.0
273.09201	4.4
297.60052	4.5
327.20050	9.1
471.25064	11.9
582.28387	13.6
600.20020	5.4
600.29614	88.6
601.30273	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	600.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39391	0.4
58.02956	0.9
58.47491	0.7
59.01384	1.2
61.98832	10.8
62.47004	0.4
62.61795	0.4
65.03357	0.5
70.66327	1.1
70.66672	0.6
71.01383	1.1
73.04072	3.5
74.02454	0.5
82.02982	3.8
82.95427	0.8
84.00940	0.7
84.04565	0.9
84.95126	1.1
87.05652	3.2
96.96024	0.5
97.04066	1.6
98.02473	2.2
99.04524	0.7
100.04037	1.0
101.02438	0.6
110.02493	0.9
112.04038	1.2
114.05648	0.4
115.05150	6.2
125.05989	0.5
125.07229	1.3
126.06736	11.3
127.05137	0.9
128.03549	87.4
129.03882	1.1
129.10359	2.8
130.08751	2.9
140.07191	4.0
144.07796	9.2
153.10373	1.0
155.08310	0.5
155.11964	0.9
160.06189	1.2
163.57872	0.5
165.10335	2.8
168.07788	22.9
169.06186	1.4
169.09851	2.3
169.13515	1.0
180.10265	1.3
181.09839	0.7
182.12970	8.3
183.11378	1.4
183.13272	0.6
186.08841	15.0
197.12944	1.3
200.14046	4.8
201.12494	1.0
207.15025	0.7
208.13441	0.7
212.13895	0.6
225.16158	0.7
239.15111	1.8
241.11998	1.9
250.66866	0.5
252.20798	1.4
254.15120	0.8
257.16153	1.0
281.16162	2.8
299.17322	1.0
300.15790	0.5
351.23581	0.5
386.23105	0.6
439.24832	0.6
457.26709	3.0
514.29144	0.8
556.29877	100.0
557.30255	11.5
582.31537	1.5
600.32538	32.3
601.32886	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	601.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
64.95547	0.1
71.01369	0.3
73.02928	0.2
78.95914	1.1
89.04010	0.2
96.96033	1.5
99.92605	0.2
105.03468	0.7
107.05061	0.2
109.02967	0.3
115.01887	0.3
117.03479	0.5
123.04552	0.2
132.02190	2.1
133.02972	31.2
134.03351	0.8
135.04539	10.4
136.04839	0.2
147.04526	0.3
149.06155	0.7
152.99611	0.6
160.01672	0.3
161.02461	100.0
162.02806	4.2
163.04062	0.2
175.04004	0.6
177.05627	1.0
179.03513	16.5
179.89232	0.4
180.03854	0.5
196.89507	0.2
203.03523	3.2
203.05278	0.3
221.04529	0.9
230.46356	0.2
233.04544	0.3
245.04298	0.7
253.21918	0.2
263.05890	0.1
266.45294	0.1
277.21719	0.8
285.16382	0.2
291.23331	0.4
291.94473	0.2
339.35352	0.2
346.15414	0.1
481.25769	0.4
541.27899	0.2
565.18146	0.2
601.30261	7.9
602.30383	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	601.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.7
61.98839	100.0
71.01402	0.6
71.32704	0.6
84.64724	0.4
87.15009	0.4
96.96075	0.5
99.04529	0.4
101.02503	0.5
102.80738	0.4
119.03519	0.4
125.80487	0.4
127.05136	0.5
135.70262	0.4
136.37576	0.4
143.96474	0.4
144.01736	0.4
164.36263	0.5
295.68155	0.4
448.45212	0.4
563.50970	0.5
581.63312	0.4
602.28741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98821	1.1
69.04574	4.1
71.01390	0.7
71.82690	0.3
76.87176	0.4
81.41319	0.3
85.02965	0.9
89.02454	1.0
93.03468	1.1
98.21784	0.7
110.99830	0.4
117.03473	4.3
119.05038	1.1
119.31617	0.3
121.02924	0.5
123.04650	0.4
131.05002	0.5
133.02873	0.4
135.04483	1.8
145.02951	0.7
146.03716	0.7
147.04408	0.5
149.02452	0.7
150.03217	0.9
151.03886	0.4
159.04555	0.4
161.02441	3.5
161.06088	0.6
163.04005	1.4
164.04788	0.9
165.05513	1.1
167.33058	0.3
173.02423	0.6
175.03972	0.9
177.01912	1.4
177.05522	0.6
179.07117	0.8
180.07365	0.4
185.02448	0.5
189.01901	2.3
189.05666	0.5
191.03479	1.5
195.06702	0.7
201.01947	0.6
203.03529	2.0
205.01385	0.8
219.02965	0.5
221.04529	0.5
223.07439	0.4
225.09206	0.4
227.03455	0.4
231.02960	1.2
233.04689	0.7
239.07217	0.4
246.01990	0.4
251.07164	0.6
263.06967	0.6
267.06778	0.8
268.07291	0.6
279.06686	0.5
281.04572	1.3
282.05350	1.9
283.06131	5.5
294.05304	0.7
295.06146	8.3
296.06812	4.0
297.04413	0.6
297.07663	12.9
298.08060	0.9
305.04144	0.4
306.05331	0.5
307.06094	3.4
309.04395	0.5
309.07819	1.2
311.05640	11.4
312.05875	0.7
321.04141	0.5
322.04791	0.9
323.05600	8.3
323.09280	0.4
324.06174	2.5
325.07193	6.9
326.07666	0.6
328.05835	2.6
335.05603	1.2
337.07275	2.1
339.05109	2.8
341.06876	0.5
349.07193	1.0
350.04202	0.8
351.05072	9.3
352.05612	0.9
353.06650	34.6
354.07056	2.9
356.05344	2.5
363.05057	1.8
365.06659	2.7
369.06180	7.8
370.06644	0.6
373.12750	0.5
381.05954	1.9
383.07730	7.2
384.07858	0.7
391.08823	0.6
395.07751	1.0
399.07288	0.8
409.09381	1.4
413.08588	0.5
419.07791	1.0
437.08865	2.4
455.09827	2.9
471.09433	3.5
472.10297	2.8
473.10886	15.4
474.11349	1.2
476.09488	0.9
483.09088	0.5
485.10782	0.8
489.10385	4.4
490.10895	0.4
503.12082	0.8
507.89835	0.4
519.93738	0.4
536.78772	0.4
557.13013	6.2
575.14069	100.0
576.14404	11.7
602.15131	6.9
603.15747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01306	0.8
59.01592	0.7
61.98766	0.7
71.01293	1.1
80.63119	0.7
85.02865	1.8
89.02352	2.0
93.03355	2.1
117.03466	6.8
118.35213	0.7
119.04892	1.9
120.65882	0.6
121.02866	0.9
123.95440	0.6
127.75526	0.6
128.03418	0.9
131.04942	0.7
135.04535	3.4
135.05318	1.1
142.55969	0.6
145.02878	0.7
147.04512	0.9
147.10390	0.7
149.02312	1.7
151.03885	0.8
161.02434	5.7
162.03020	0.9
163.03850	2.8
173.02164	0.8
173.05943	1.2
175.03876	2.1
177.01778	2.5
177.05405	2.0
179.03413	1.3
187.03880	1.1
189.01880	3.4
189.05496	0.9
191.03331	1.9
197.05875	0.9
203.03363	2.8
205.01222	1.3
205.04893	1.1
219.02745	1.2
223.07516	0.8
225.05615	0.7
229.71701	0.8
231.02841	1.8
233.04491	1.2
238.06020	0.8
239.07013	1.3
251.06984	2.0
252.59122	0.6
253.08638	1.1
267.06494	2.4
268.07208	2.0
269.04398	0.9
281.04355	1.8
282.05286	3.3
283.03311	0.7
283.06122	7.7
294.05341	1.1
295.02994	1.0
295.06134	14.6
296.03934	0.8
296.06839	6.5
297.07690	28.1
298.07874	1.6
306.05212	1.1
307.06146	6.4
308.06464	0.9
309.04010	1.0
309.07507	2.2
311.05658	15.9
312.05939	0.8
314.55438	0.6
319.05905	1.0
321.03760	0.6
321.07416	0.8
322.04797	0.9
323.05612	12.2
323.09427	0.6
324.06372	4.1
325.03619	0.9
325.07199	11.2
326.07458	1.3
328.05829	5.5
335.05624	3.8
337.07294	3.7
339.05200	4.3
349.07120	1.5
351.00833	0.9
351.05130	14.6
352.05676	1.6
353.06665	65.1
354.07019	5.3
356.05307	4.3
363.05014	2.1
365.06699	4.2
369.06149	10.8
370.06625	1.1
381.06155	4.0
383.07782	14.5
384.07895	1.4
395.07785	1.2
399.07239	1.2
409.09244	2.2
413.08630	0.9
419.07806	1.5
431.09973	0.7
437.08679	3.4
455.09909	7.7
467.09601	1.0
471.09415	4.8
472.09866	3.3
473.10913	14.5
474.10989	0.9
476.09344	1.4
482.11008	1.3
485.10889	0.8
489.10550	3.3
503.12177	1.1
557.12915	5.4
575.14050	90.0
576.14545	11.3
602.15161	100.0
603.15515	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	603.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
88.14255	10.8
98.21745	27.6
110.25880	11.0
228.76448	12.3
330.36124	11.6
421.26111	11.0
438.85150	10.1
620.52588	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	603.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85814	1.1
59.01379	3.8
62.79202	1.1
69.06467	5.8
69.06897	7.1
71.01383	2.4
82.74232	1.0
89.02462	2.2
96.96017	9.8
112.06622	1.2
120.99673	9.9
122.00018	2.1
125.02547	1.5
128.03609	1.8
130.66074	1.1
133.02965	22.7
134.03256	1.9
135.04555	11.6
136.04904	1.3
161.02455	100.0
162.02762	9.1
179.03505	19.8
180.03850	2.1
185.21191	1.2
203.03496	1.9
219.22249	1.3
228.11923	1.3
341.08752	42.7
342.09012	6.9
343.09116	1.6
356.05670	1.2
431.01788	1.6
603.26923	1.4
616.25763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	8.9
58.07165	1.2
59.01388	15.0
59.25487	1.2
60.86885	1.1
60.99311	16.4
61.98832	9.2
62.66901	1.2
71.01381	7.1
73.02953	3.5
78.00462	1.3
83.01378	1.7
85.02945	1.7
87.00868	1.7
88.98817	100.0
89.02457	5.1
89.99152	1.7
96.96028	4.0
99.04533	11.9
101.02454	8.1
104.18431	1.4
104.73395	1.3
110.21695	1.4
111.28740	1.4
113.02449	3.5
119.03522	2.5
125.02482	5.8
130.08821	1.8
135.04561	2.4
143.03499	1.6
148.91106	1.4
149.09718	1.6
161.02501	1.7
161.04562	3.6
179.05676	2.2
193.08752	2.0
221.06506	1.4
257.83951	1.2
297.17245	1.4
459.08945	6.7
510.61801	1.3
513.23199	3.3
551.49310	1.4
603.26404	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
59.88298	0.6
60.99302	2.6
61.98827	0.7
71.01394	0.9
71.32326	1.0
85.00452	1.4
87.00879	5.1
87.99918	0.8
88.00407	3.1
88.01212	1.1
88.98815	18.4
89.02451	100.0
90.02789	1.3
93.95884	0.6
144.63544	0.7
145.04121	0.8
148.91061	1.1
153.44522	0.7
277.21863	1.2
603.19647	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	603.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	4.9
62.18959	1.1
73.50740	0.9
76.11590	1.0
85.00433	1.6
87.00895	6.0
88.00409	3.9
88.98812	34.9
89.02455	100.0
98.21821	2.9
148.90994	2.8
324.97668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64985	0.6
50.83212	0.7
69.06385	1.3
69.06786	5.1
72.83119	0.6
78.95910	0.9
96.96037	1.6
105.03497	0.9
117.03484	0.8
132.02200	2.3
133.02974	32.9
134.03677	0.6
135.04539	13.6
149.06114	0.7
161.02461	100.0
162.02815	4.0
177.05611	0.9
179.03510	17.2
203.03543	3.3
215.56352	0.5
217.33685	0.6
221.04587	0.9
255.23351	1.2
279.23392	1.1
320.06863	0.6
339.56354	0.6
483.27078	0.8
543.30328	0.6
603.31891	11.0
604.31891	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	603.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97379	0.8
59.01389	1.7
60.99300	2.8
80.95275	0.9
85.00426	2.9
85.70170	0.9
87.00893	6.7
88.00417	2.8
88.01225	1.4
88.98823	21.4
89.02457	100.0
90.02774	1.3
94.21329	0.9
96.96033	1.2
139.04388	0.9
165.57959	0.9
167.51154	0.9
225.77835	0.8
228.77022	0.8
248.69463	1.0
270.69196	1.1
294.72003	1.0
324.97699	1.4
497.83167	0.9
603.20068	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	604.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01390	9.5
61.98838	12.3
69.28526	10.4
69.28934	3.0
70.02975	2.6
71.01379	7.9
71.02498	2.4
72.99329	1.8
73.02908	1.9
81.02191	4.2
82.03003	3.9
82.06636	3.1
83.01378	1.6
85.02958	3.3
87.00875	1.5
87.72490	1.3
88.98822	2.0
89.02434	2.7
91.05534	1.7
95.56735	1.3
96.00927	9.8
98.02493	28.4
99.04516	3.2
101.02456	6.5
109.01701	6.2
113.02472	5.6
114.01978	1.9
115.08798	10.8
119.03533	2.3
122.09705	1.3
125.02453	3.2
125.07236	1.8
130.08759	47.2
131.05049	1.5
131.09077	1.7
132.02188	2.2
133.02968	6.2
134.03761	2.7
135.04536	21.3
138.09258	24.5
139.08784	5.6
140.07216	3.7
141.06738	2.0
143.08316	2.2
148.07729	4.2
149.02460	5.1
152.07132	2.3
153.06712	4.0
160.01688	6.2
161.02454	13.2
163.08788	1.9
164.04825	3.1
165.10355	1.7
166.08748	20.6
168.10251	1.9
170.09404	16.6
175.00407	2.3
175.03981	5.8
176.04556	1.4
179.03499	13.8
190.02792	6.5
191.03424	2.8
193.05133	3.3
200.14142	1.6
205.05064	7.4
206.05792	2.6
210.07747	2.5
218.08215	5.8
223.06081	6.3
225.16130	7.5
226.05754	1.6
233.16591	4.1
235.06096	2.2
235.18164	7.6
236.11629	2.2
243.17206	2.0
245.12997	12.5
246.13168	1.5
261.16098	11.0
262.15613	25.9
265.07144	2.7
279.17200	6.8
323.16153	100.0
324.16461	6.0
325.09085	1.8
341.17273	4.8
376.74265	1.5
398.14630	3.1
405.21365	3.4
406.21655	2.0
420.12634	2.2
473.23697	1.8
501.15213	4.3
501.65192	3.2
528.90753	1.5
537.45935	1.6
586.32507	98.4
587.32825	11.8
604.20166	7.2
604.33722	23.4
605.33978	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	605.2412
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
61.98848	0.7
71.02794	0.9
73.70494	0.6
75.33237	0.5
77.41199	0.5
83.10267	0.5
111.14803	0.5
146.26680	0.5
161.02075	0.5
416.49213	0.8
430.17874	1.1
443.18921	0.6
444.18793	0.6
455.18430	0.6
457.20395	1.8
459.17841	2.8
471.18365	1.8
473.19904	4.4
474.20901	0.7
485.18869	2.7
485.24359	0.8
486.20819	3.5
487.21271	1.5
496.19202	1.0
499.17972	2.5
500.18716	0.7
501.23572	3.6
502.21674	0.6
511.21429	2.0
513.19672	3.1
514.19995	8.2
515.20551	1.8
517.18793	1.0
518.19769	1.8
528.21631	1.1
529.22498	100.0
530.22827	16.4
532.21301	1.8
533.21729	2.1
561.25024	0.8
573.21564	1.5
605.23792	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	605.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
59.01390	7.7
59.46217	0.9
60.99314	16.0
61.98837	10.5
71.01379	4.7
73.02956	1.2
83.01395	1.3
85.02961	2.2
87.00927	1.2
88.98817	100.0
89.02457	1.8
98.22625	2.1
99.04527	5.8
101.02449	3.3
113.02452	1.9
117.76469	1.0
122.89534	1.3
125.02448	3.2
125.82247	1.0
130.08713	1.2
135.04533	8.0
136.04878	1.2
148.90996	1.2
160.01534	1.7
161.02417	2.4
169.59010	1.0
175.00385	1.4
175.03986	3.0
179.03484	6.3
180.03952	1.4
190.92081	1.8
193.05043	2.6
207.73131	1.0
226.49190	1.1
230.69218	0.9
266.14752	1.2
299.18735	1.3
426.26688	1.1
461.10229	8.4
462.10617	1.6
489.26663	1.4
515.24554	2.4
587.32770	2.4
605.35571	1.3
606.29327	2.4
612.22662	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68776	2.3
57.03453	82.2
57.73462	2.8
59.01384	97.9
61.98824	9.6
62.35135	2.1
70.52373	6.1
71.01389	13.0
73.02944	5.3
83.01368	3.8
85.02954	8.6
99.04529	100.0
101.02447	31.1
113.02465	5.2
125.02453	36.9
146.55099	2.1
161.04521	5.1
169.24374	2.2
174.01721	11.9
197.74081	2.3
271.86826	2.5
443.30582	3.6
461.31192	19.4
605.34943	8.7
606.34967	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	606.075
Annotation	Uridine diphosphate-N-acetylglucosamine
Peak:m/z	Relative Intensity
56.81004	0.4
57.72461	0.4
59.01424	0.3
60.51378	0.3
62.96400	0.9
66.35450	0.4
69.81061	2.0
78.95908	100.0
85.78723	0.3
96.96025	5.4
96.96966	15.4
110.09998	0.4
111.02010	8.9
119.98560	1.5
136.93987	0.6
136.96434	0.4
138.98022	0.5
150.98055	0.6
158.92548	39.5
161.99667	0.6
162.97914	0.4
174.98004	3.0
176.93587	7.5
178.95061	0.8
189.92436	0.4
192.99077	0.8
211.00198	0.4
222.01797	0.6
222.58173	0.4
222.91214	0.4
232.35309	0.4
240.02827	1.1
246.01852	0.6
260.95752	1.7
264.02911	0.9
272.92758	0.6
272.95712	12.2
273.96030	0.4
282.03854	13.8
300.04889	2.6
305.01953	1.9
320.79260	0.4
323.02805	4.9
324.03201	0.5
343.99567	0.7
362.00479	6.8
362.04755	0.6
384.98425	17.8
385.98978	0.7
402.99457	7.3
508.09430	0.5
509.69000	0.4
606.07440	44.3
607.07764	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	606.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49782	4.8
57.03452	75.9
59.01387	79.7
61.98834	100.0
69.50997	30.7
71.01389	55.8
73.02958	27.9
75.00861	14.2
83.01380	7.7
85.02938	15.9
87.00858	5.6
89.00961	5.8
89.02458	19.6
96.95989	6.9
99.04531	98.9
101.02454	59.1
113.02467	21.9
113.06111	6.2
113.07266	5.2
119.03517	8.8
123.04535	7.1
125.02464	85.9
127.05126	14.8
128.03575	7.9
129.01945	7.1
138.01970	8.6
143.03543	10.2
144.07835	6.7
145.09854	9.4
153.06628	5.2
153.09200	8.6
161.04543	19.5
161.09724	58.2
164.07178	6.5
165.09174	24.4
166.59297	5.9
173.09738	7.0
177.01747	6.0
177.09225	5.9
179.05685	9.8
179.10783	8.6
187.61824	5.4
201.09196	13.4
204.11075	5.5
219.10266	53.0
235.08234	14.0
237.11331	75.7
381.15552	46.4
399.16647	76.4
405.13840	4.9
423.16644	50.5
441.17670	42.5
463.19696	8.3
473.29913	5.9
481.20938	11.3
543.20911	85.0
544.21191	13.6
588.28412	6.1
605.81451	7.1
606.29926	40.7
607.28210	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	606.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99920	0.6
59.01170	0.6
59.01437	1.4
62.36683	0.6
69.28568	1.5
69.29001	3.4
71.01464	1.1
71.02590	5.9
73.03704	1.7
73.04158	20.5
74.02116	1.4
74.02564	16.1
82.06673	0.7
83.02613	4.0
83.68973	0.6
84.00999	1.4
85.04185	2.8
85.32564	0.6
87.05740	4.1
88.98902	1.4
91.05608	0.7
94.47450	0.7
95.02628	9.1
96.96176	0.7
97.04139	0.8
98.02588	1.2
99.02123	4.5
101.02528	0.8
103.04399	0.6
109.04160	1.1
110.03725	0.9
111.02008	11.1
112.02917	2.6
112.05180	9.4
113.02853	1.3
113.03590	11.7
124.05281	0.9
126.09387	1.7
127.05273	1.4
128.03778	1.1
128.04659	7.0
128.07364	0.6
129.10455	1.3
130.05330	0.7
130.06236	20.0
130.08748	2.9
131.04779	1.9
136.58647	0.5
139.08858	1.1
140.04738	0.8
140.07285	0.8
141.10471	1.4
142.06351	1.4
143.11917	13.8
144.07751	6.1
146.06279	2.1
152.04813	2.2
152.07297	1.8
153.10472	1.3
154.06354	0.7
156.04333	1.7
163.08786	5.1
164.07268	1.0
165.10500	2.1
166.06354	1.1
169.07402	4.8
169.09837	12.1
170.05852	1.8
182.13081	1.4
185.07118	1.0
187.08360	4.7
187.10870	8.5
188.06985	1.0
200.14059	19.1
201.09993	0.8
201.14656	0.6
203.08263	9.5
206.08318	0.7
210.33620	0.6
216.11621	1.6
217.09955	1.0
220.10931	12.1
221.09377	1.1
221.11388	1.0
226.12154	2.0
234.12630	2.1
242.09433	1.3
244.12997	2.8
252.09013	0.6
257.16162	7.0
259.12064	5.1
260.10565	2.3
273.13818	0.7
277.13083	6.7
277.15387	0.6
278.11499	0.8
291.14700	1.0
301.15216	6.2
314.18314	2.9
316.14102	5.9
334.15216	20.9
334.19077	1.1
347.20895	0.7
358.17407	4.9
404.23105	0.8
435.77899	0.6
487.23367	0.8
562.26343	83.0
563.26520	9.9
588.28210	2.8
606.28931	100.0
607.29242	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	606.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88219	0.4
67.74677	0.3
69.60581	0.4
71.02232	0.3
71.02502	4.2
71.03001	0.8
72.00893	0.5
73.04082	0.5
74.02455	0.7
76.31916	0.4
76.80447	0.4
76.94563	0.4
82.01717	1.2
86.37652	0.4
87.05657	2.9
89.81786	0.4
91.05532	0.6
91.28941	0.4
97.00456	3.2
97.04081	2.0
98.01223	5.7
99.01994	1.7
110.01248	0.5
111.02021	2.2
112.02789	1.7
116.05078	0.7
118.06628	1.1
125.05960	0.7
129.10352	3.1
130.59808	0.5
133.02919	0.4
143.05031	0.4
143.07050	1.1
144.04518	0.5
145.06619	1.3
146.06110	2.3
147.03281	5.0
147.04411	0.5
148.03816	0.4
148.07674	0.4
153.10364	1.7
155.08356	0.5
155.11926	2.1
157.13478	0.4
158.06128	0.5
159.04439	0.7
159.08168	0.8
160.04024	1.6
160.07692	1.1
163.08766	1.1
169.06580	0.8
171.08170	6.3
172.04068	1.4
172.07635	1.0
173.04788	0.7
173.07237	0.9
174.05606	1.5
175.08713	0.5
182.12979	4.3
183.04474	0.7
183.11365	3.9
185.06033	1.9
186.05673	0.5
186.09248	2.5
188.07201	2.0
188.10823	1.4
189.06706	41.7
189.10321	1.6
190.07130	1.9
200.07266	0.9
200.14053	33.9
201.14433	0.8
202.08838	0.6
203.08273	1.5
203.11707	0.5
205.09811	9.1
212.07202	0.6
214.08755	1.1
215.07147	1.2
219.11349	0.5
221.09236	0.5
226.08777	0.9
229.06120	0.8
229.09975	0.5
231.11369	1.0
241.05147	0.5
242.08209	0.9
243.07800	0.6
247.10881	1.8
249.07939	0.6
251.30275	0.4
252.08965	0.9
257.09393	0.6
258.12473	0.8
269.09396	1.3
270.10120	2.4
271.10434	0.7
274.12421	0.7
278.12195	0.4
300.13989	0.7
317.16653	1.0
318.15042	2.9
318.18307	0.7
320.11691	1.5
333.16266	0.5
335.13910	0.6
335.17776	1.0
349.15643	1.6
361.15604	10.5
362.15881	1.4
372.22733	1.2
378.18243	2.9
386.46997	0.4
389.21771	1.9
390.22379	0.5
393.14362	0.5
394.17758	1.2
405.14548	20.7
406.14807	2.7
416.21890	1.0
422.17221	9.8
423.17615	1.0
430.24814	0.6
433.24817	0.6
519.25891	0.9
532.37793	0.4
562.30310	16.5
563.30487	2.9
606.29352	100.0
607.29706	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1675
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
54.27654	0.7
57.03435	2.8
59.01384	5.4
61.06623	0.9
61.98836	36.0
65.00357	0.8
71.01376	3.2
71.33427	1.3
75.04444	0.9
83.01391	1.3
87.00892	1.1
97.63969	0.8
99.00838	1.0
99.04522	2.4
101.02463	2.3
113.02444	1.7
125.02470	1.2
133.03014	1.7
135.04565	1.3
141.49695	0.7
151.00377	2.0
160.58905	0.7
161.02458	2.5
168.38310	0.8
179.03548	1.1
193.03250	0.9
245.47389	0.9
251.34451	0.9
255.02994	35.6
256.03699	3.9
268.03763	1.3
269.04578	3.2
283.02499	16.3
284.03275	67.1
285.03851	8.5
297.04065	12.4
298.04739	9.3
299.05624	100.0
300.06079	6.1
443.09830	1.4
485.42081	0.9
607.16687	77.0
608.16943	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	607.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
59.45642	2.1
60.44139	2.3
61.98830	3.7
69.72617	4.8
69.73026	8.3
72.61244	2.0
77.24534	2.1
78.95911	23.9
98.22449	2.6
104.05067	4.3
106.06636	3.4
130.06642	4.0
152.99625	10.1
186.86554	6.2
204.83287	3.5
221.10835	3.0
223.12408	4.0
225.14032	3.7
242.89214	7.1
245.04350	6.9
253.21817	4.6
260.90207	3.9
265.09842	5.9
334.93893	5.0
460.19208	4.0
472.22690	7.1
474.20651	6.6
475.21466	7.1
481.25851	8.6
487.25211	23.2
488.25848	2.6
489.22986	3.1
502.20532	4.0
513.22736	3.7
531.16821	4.3
531.24103	46.4
532.24677	5.2
571.15613	6.3
575.22974	76.7
576.23114	11.8
607.25751	100.0
608.26093	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	607.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19122	1.0
53.63357	1.3
55.01878	1.3
57.03455	85.2
57.22739	0.9
57.69204	1.0
59.01388	100.0
61.14635	1.0
61.98834	10.6
70.56584	2.8
71.01391	15.2
73.02959	5.2
81.03460	1.3
83.01402	4.6
85.02959	9.8
86.28605	1.0
97.41311	1.1
99.00867	1.7
99.04533	95.8
100.04886	1.1
101.02459	29.6
101.21667	1.0
111.00877	1.4
113.02495	6.8
125.02462	37.3
129.01965	1.2
132.37659	1.2
133.79790	0.9
143.03540	3.2
159.02939	2.0
161.04590	2.7
161.35831	1.1
257.10199	1.1
268.03473	1.2
301.27441	1.8
358.80688	1.3
445.31732	10.7
456.38351	1.3
463.32828	30.4
464.32990	2.0
505.33829	6.1
604.57074	1.0
607.36865	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	608.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10488	5.2
57.03454	66.0
59.01380	84.7
61.98836	62.6
64.46682	5.5
70.98370	5.7
71.01386	44.0
71.32615	7.0
71.33031	6.6
73.02944	20.7
74.02481	11.6
83.01382	11.2
85.02943	10.1
87.00869	8.1
89.02427	35.5
89.54350	6.4
96.00921	6.7
99.04531	100.0
101.02445	59.0
109.06624	10.7
113.02473	20.3
115.26380	5.9
119.03526	12.7
123.04534	11.0
125.02446	49.8
128.03574	20.7
133.03043	6.7
135.04553	9.3
143.03555	8.1
143.04597	12.4
143.11906	8.8
145.10789	5.5
148.05266	5.9
151.07672	7.6
161.02466	25.0
161.04543	18.8
162.40257	6.1
163.07690	9.9
179.05676	20.3
179.10727	6.7
203.10852	11.9
221.11807	18.9
254.07932	7.8
272.41055	6.4
285.42197	6.1
300.19217	12.4
306.07654	56.5
383.17252	9.9
401.18152	11.2
443.19077	10.4
501.23499	8.7
545.22449	72.2
546.22955	8.8
549.25598	24.2
578.85168	6.9
608.27454	7.8
609.15143	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	608.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76485	9.1
56.32401	8.1
57.03449	58.8
59.01381	74.4
59.73693	9.4
61.98819	37.7
69.41441	76.1
71.01382	43.1
71.57357	8.7
73.02956	16.3
74.31228	9.1
80.96852	8.5
83.01331	11.4
89.02450	14.9
90.27834	10.7
96.95997	14.9
99.04514	49.3
99.05590	9.5
101.02457	40.2
113.02498	21.7
125.02435	43.6
127.72163	11.5
128.03543	36.1
143.04633	37.3
160.00745	16.0
179.10780	33.8
203.10866	19.6
221.11826	11.5
237.72685	9.3
242.38940	9.5
246.54407	10.0
267.04272	11.3
306.07669	100.0
401.18237	31.5
545.22491	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14605	3.4
57.03455	79.5
59.01388	66.6
61.98838	89.6
71.01387	39.8
71.32175	9.7
73.02946	10.1
81.03465	4.7
85.02962	13.3
89.02481	14.7
96.96050	9.0
99.04536	94.3
101.02449	38.3
104.43115	4.3
113.02487	13.3
125.02452	53.3
127.05119	6.7
128.03551	9.9
135.04590	5.2
137.06190	6.0
139.07677	46.8
143.03520	11.2
161.04585	12.7
168.07944	17.9
174.84436	4.1
191.10828	24.7
192.59909	4.3
209.11841	8.5
221.11774	10.8
239.12920	15.7
328.57062	4.4
342.22830	4.7
383.17172	46.3
401.18188	40.0
443.19238	18.6
483.22192	7.0
501.23660	7.2
513.36469	4.3
545.22479	100.0
546.22760	10.4
560.02588	5.6
608.26550	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	609.1465
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
59.22336	3.0
61.98838	15.1
69.27791	23.3
71.01404	4.4
82.02763	2.8
84.79686	2.9
91.71806	3.0
101.02454	3.1
107.01333	3.6
129.41724	2.9
151.00369	11.3
178.99883	6.9
204.98697	2.9
243.03006	11.2
255.02982	26.4
271.02478	60.5
272.02921	5.2
300.02756	100.0
301.03513	37.5
302.03647	4.0
413.68445	3.3
609.14594	97.6
610.14929	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03662	6.3
59.01374	43.3
60.57935	6.1
61.98815	11.7
65.04108	6.2
67.76376	6.5
71.01393	37.2
71.31464	10.9
73.02938	6.9
74.36539	7.2
85.02949	9.5
89.02467	19.9
98.23911	6.4
101.02448	17.0
119.03508	12.5
128.91795	7.4
129.83687	6.3
143.03278	8.2
317.72586	7.5
350.33322	7.4
387.20496	8.5
531.11829	7.6
549.25488	100.0
550.25946	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	609.2766
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
57.03446	4.9
58.00600	3.5
59.01390	76.2
61.98837	14.9
69.03448	5.3
70.26735	3.7
70.27093	3.7
71.01393	74.4
72.05041	1.8
72.99313	7.0
73.02957	11.4
75.00886	2.4
75.09173	1.5
78.91888	3.0
83.01407	2.5
85.02946	14.2
87.00881	2.9
88.98830	3.8
89.02454	100.0
95.01399	3.6
96.96040	5.4
97.02967	7.1
98.21910	2.3
99.00897	17.3
99.04539	4.5
101.02457	39.3
102.02773	1.6
103.84481	1.8
113.02472	26.1
119.03518	15.5
122.74025	1.8
125.02467	43.1
130.62358	1.7
131.03532	17.0
139.08897	2.0
143.03513	4.1
147.93874	1.5
149.04578	51.4
161.02484	2.8
161.04578	5.7
179.05594	4.9
191.05672	6.0
194.20300	1.9
195.24075	1.7
195.31329	1.6
221.06703	3.2
223.13530	2.0
251.08014	3.0
275.07797	12.2
293.08737	2.2
315.18216	1.9
447.22305	32.6
448.22784	2.3
477.23181	9.8
527.20050	1.9
609.27704	81.3
610.28064	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	609.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04258	0.8
55.01865	1.2
56.84922	0.8
57.03447	3.0
57.44608	0.8
58.00609	1.4
59.01387	23.4
61.98835	16.2
68.34131	0.9
68.99559	1.0
69.03474	1.5
69.22736	7.4
71.01390	21.0
72.99323	1.9
73.02940	4.3
75.00884	1.4
82.61615	0.8
83.01398	2.9
85.02951	4.7
87.00911	4.3
89.02454	19.4
90.02796	0.9
95.01405	1.4
96.96046	1.1
97.02946	2.4
98.21789	1.6
99.00866	1.6
99.04530	2.7
101.02452	19.5
109.02979	1.0
113.02460	9.1
119.03506	4.8
121.06575	0.8
125.02480	9.1
126.02786	1.0
133.02992	2.3
135.04559	3.3
136.04918	0.8
137.02527	0.9
143.03499	2.2
161.02480	10.3
161.04547	5.8
167.03470	1.0
177.01990	0.9
179.03511	2.1
179.05644	4.1
183.13969	7.8
193.12361	2.6
211.13425	100.0
212.13731	4.2
221.06709	1.4
235.08192	6.4
253.09279	3.3
287.07904	1.0
303.07855	1.0
303.21671	2.6
341.08807	2.0
378.43250	0.9
397.13531	50.4
398.13867	3.1
411.20166	1.1
415.14627	22.3
416.14966	1.7
465.27112	5.7
466.27997	1.0
485.18887	1.0
507.28040	2.2
547.14368	1.8
547.22333	2.0
609.27850	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	610.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01376	3.1
61.98833	100.0
71.01394	0.5
71.32720	0.5
73.02963	0.3
76.54653	0.3
82.23989	0.3
84.77250	0.2
85.02980	0.4
85.86877	0.2
89.02460	0.4
98.08743	0.3
99.04510	3.4
101.02461	0.9
103.04690	0.2
113.02492	0.4
123.04543	0.3
125.02471	2.1
143.03516	0.5
179.05675	0.3
205.12408	0.3
223.13536	0.5
252.16309	0.3
340.84308	0.3
412.15897	0.4
445.21237	0.6
467.25504	0.3
547.24298	1.1
567.27704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33041	38.6
54.91090	43.2
64.86587	46.1
67.30763	37.5
70.93521	88.5
78.95911	100.0
81.88667	37.7
96.95982	65.5
140.74886	51.5
152.99603	58.7
250.96480	49.4
435.12646	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18642	2.8
55.30035	2.5
58.00601	3.2
59.01382	54.4
61.98843	15.0
63.21154	3.1
69.07817	26.4
71.01389	35.6
71.35883	2.5
79.63181	2.3
85.02950	7.4
88.40221	2.4
89.02450	32.1
95.01425	2.6
99.04522	27.0
101.02464	16.5
101.28139	2.8
113.02457	11.8
119.03516	13.5
135.73009	3.1
179.05634	2.5
189.12816	7.7
207.13914	47.8
217.24898	3.5
219.30908	2.5
231.26157	2.9
251.12888	98.3
252.13301	5.3
262.98303	4.1
321.18854	3.3
431.19223	100.0
432.19751	8.2
439.31302	2.8
496.69644	2.7
611.25635	87.6
612.26001	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	61.7
61.98843	17.0
62.55064	2.8
66.98681	3.0
69.75106	7.9
69.75500	6.0
71.01379	35.3
72.99310	3.4
82.54013	2.9
83.01437	3.3
85.02957	9.4
89.02457	29.1
91.62868	3.1
98.22567	3.2
99.04543	33.4
100.82076	2.8
101.02460	16.2
113.02459	11.6
119.03547	7.8
140.17390	2.8
176.17433	2.9
179.05566	5.2
189.12935	7.0
207.13937	41.4
219.13492	2.9
251.12909	87.6
252.13266	4.1
269.13928	3.5
275.20508	3.4
281.14539	3.5
301.03210	4.5
340.17691	3.4
370.21802	3.1
383.77371	3.0
431.19266	100.0
432.19818	7.0
453.97949	3.4
611.15717	6.1
611.25562	90.3
612.25714	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	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44921	2.7
52.32284	2.3
57.03178	4.2
57.03451	65.1
58.00600	3.5
59.01382	90.1
59.98379	2.4
60.76823	2.3
61.98833	29.8
69.17666	22.6
71.01384	68.5
72.99302	4.8
73.02959	18.3
76.00837	3.0
83.01396	10.1
85.02940	18.6
87.00887	6.1
89.02450	53.7
89.02959	3.9
95.01404	5.2
98.22456	5.5
99.00918	3.3
99.04527	32.4
101.02447	56.0
113.02466	34.9
119.03518	24.6
121.02969	4.6
123.04545	6.5
125.02464	27.4
143.03517	6.9
161.04538	11.0
179.05634	15.1
227.12866	5.4
244.14200	2.3
269.14066	4.1
283.23483	2.7
287.14960	19.4
350.62509	3.0
449.20319	53.2
450.20667	3.1
467.21307	100.0
468.21603	4.9
509.22391	10.3
556.43677	3.0
611.25476	35.5
612.25848	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	611.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.02978	4.8
59.01388	4.6
61.98850	7.7
66.03483	1.4
71.01365	3.4
71.32473	1.6
73.04084	8.8
74.02478	0.9
84.00914	1.1
87.05624	4.2
89.02451	1.7
96.00900	1.1
96.04536	1.1
97.04083	4.2
98.02489	4.4
98.06116	2.7
99.05640	1.2
101.02448	3.5
109.03026	1.3
110.02502	7.3
110.06175	1.1
113.02445	1.4
113.03572	1.3
113.07220	4.2
114.05643	2.5
115.05146	15.5
116.07179	17.9
125.02442	4.4
125.03515	0.9
125.07238	4.8
126.06743	3.8
127.05132	5.5
130.08765	1.1
135.04498	1.5
139.05135	1.9
139.08806	1.8
141.10374	4.0
142.05116	2.5
144.07791	5.0
153.01927	2.2
153.06715	50.8
154.07018	1.2
163.05260	1.1
164.91748	1.1
165.06747	2.2
167.08235	0.9
167.11885	2.1
168.07826	5.0
169.06209	2.8
169.13470	37.3
169.14911	2.0
170.13792	1.2
174.82291	0.9
175.03984	1.1
182.09357	1.1
186.08841	1.2
195.11273	1.4
195.33676	0.9
213.12460	35.8
214.12939	1.9
222.09079	1.1
224.10428	24.6
225.10751	1.1
229.06628	1.0
252.13454	1.7
281.12735	2.4
295.17719	1.3
310.17761	15.8
311.18011	1.1
314.08875	1.0
323.13602	15.9
353.14783	3.2
366.68118	1.1
367.19885	4.9
438.23700	5.5
449.20276	1.0
467.21371	1.7
537.26880	16.8
549.26971	7.3
567.27875	100.0
568.28198	12.4
581.29401	2.6
593.29083	2.2
611.30481	82.7
612.30695	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	611.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22984	0.6
57.03454	5.3
58.26265	0.8
59.01136	0.8
59.01388	11.5
61.98832	15.9
62.21481	0.7
71.01392	12.0
71.33326	0.9
72.99324	1.6
73.02947	3.5
75.59270	0.8
79.02494	0.7
79.95758	0.9
82.95423	0.7
83.01389	2.6
85.02955	5.5
87.00876	2.3
88.98838	1.0
89.02443	5.0
91.86344	0.8
95.01443	1.0
96.96017	21.7
97.02937	1.0
99.00864	1.3
99.04521	3.1
101.02438	9.4
111.00887	0.8
113.02467	5.2
114.93422	3.0
116.92885	1.1
117.03456	0.7
118.96667	1.0
119.03522	1.2
125.02463	1.9
127.11286	1.2
129.01958	0.9
133.02960	1.7
135.04523	2.2
143.03534	0.9
161.02460	6.0
161.04539	2.2
162.02823	2.2
179.03481	1.5
179.05591	1.0
193.04990	0.8
241.01344	0.8
269.21170	2.3
285.20892	0.9
287.22314	26.6
288.22549	1.5
301.20349	1.0
301.23868	0.9
329.23273	0.8
385.71890	0.8
431.26648	6.3
449.27585	100.0
450.27899	12.0
467.28040	1.1
473.27466	3.0
491.28629	1.0
548.14972	1.3
567.31458	1.1
611.16113	1.4
611.32727	1.1
611.42157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.9
59.01385	6.9
61.98834	6.8
69.29679	3.5
69.30106	2.3
71.01399	4.2
71.78812	0.8
72.99297	1.4
73.02953	1.5
82.95433	1.2
85.02950	1.3
87.00874	0.9
89.02441	2.7
96.96032	2.3
98.02464	0.7
98.95612	2.1
99.00824	0.8
99.04524	4.3
99.92593	19.0
100.92594	1.1
100.93390	0.9
101.02444	4.5
106.19804	0.8
113.02493	1.3
114.94933	1.6
115.92091	13.0
116.92870	100.0
117.92891	5.3
119.03533	2.1
125.02442	2.6
127.05158	1.0
135.04553	1.0
139.95703	0.9
144.87994	0.7
148.22591	0.7
156.95950	1.1
158.94029	0.9
159.02992	0.8
161.02464	2.2
161.04546	2.2
161.09624	0.7
169.93001	0.8
176.19046	0.8
182.97537	2.7
183.94772	1.6
219.13861	1.6
226.96556	12.4
227.96942	0.9
244.84523	0.7
269.04453	0.8
363.58087	0.7
387.44360	0.8
450.28220	1.4
469.23096	4.1
473.10379	0.7
577.14105	3.8
595.14886	3.4
613.15997	26.2
613.26447	0.9
613.37573	1.5
614.16083	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	614.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13108	0.6
61.98834	100.0
69.00736	1.4
69.01073	7.6
81.98013	0.7
134.03786	1.3
165.05609	1.5
178.02791	1.7
193.05034	4.5
195.06602	1.4
341.10349	1.3
378.44324	1.0
389.12381	3.3
454.80121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.20617	0.4
59.00209	0.4
59.01381	2.9
59.82082	0.4
61.98831	7.9
62.49677	0.4
69.05757	5.0
71.01380	1.9
72.99282	0.7
73.02927	0.8
85.02966	0.7
87.38001	0.5
89.02421	1.1
91.76008	0.6
96.96042	2.1
97.02931	0.5
98.95605	2.0
99.00824	0.5
99.04525	2.5
99.92593	17.0
100.92674	0.5
100.93386	1.2
101.02445	1.6
108.86878	0.5
113.02456	0.9
114.94940	1.7
114.95690	0.4
115.32055	0.5
115.92081	14.0
116.92867	100.0
117.92883	4.7
125.02456	0.7
139.95735	0.6
149.04039	0.5
152.44818	0.5
158.93918	1.6
161.02487	0.7
161.04547	1.4
176.30627	0.5
182.97525	2.1
183.94707	1.0
217.67937	0.5
226.96541	6.9
243.96722	0.5
254.13240	0.5
378.97382	0.4
518.71161	0.5
532.14008	0.5
561.14575	0.9
579.15509	5.4
580.15906	0.7
615.17450	22.9
616.17712	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	615.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88000	0.8
57.41066	0.8
58.02981	1.1
62.73652	0.8
63.24655	0.8
63.84517	0.9
69.42063	5.9
70.02974	0.9
72.75140	0.9
73.04066	1.5
74.02481	8.1
82.02998	7.3
84.04543	1.0
85.04060	2.6
87.05640	1.1
88.77778	0.8
96.96022	3.0
99.00884	2.2
101.14052	0.9
102.05631	1.7
109.04120	1.2
111.05659	1.0
113.03570	1.7
113.07217	12.6
118.05112	1.6
123.05654	3.3
124.04054	7.1
126.01948	2.3
127.05188	5.4
128.03552	100.0
129.03934	2.1
137.07214	2.9
137.41376	0.8
141.06725	19.5
144.07864	1.2
146.04597	2.5
147.21571	0.9
155.08273	3.5
156.06657	0.9
159.02959	1.0
161.02461	1.2
167.04626	11.3
167.08287	2.8
170.09366	3.2
180.07893	0.8
180.11491	1.3
181.06227	2.2
184.10915	3.6
185.05693	25.4
185.09280	1.1
196.10939	1.2
198.08847	1.3
198.12474	2.1
209.10381	1.2
211.07257	2.1
224.10463	4.1
229.08290	3.3
237.13567	1.6
241.13112	8.2
242.07922	2.2
255.14659	3.5
266.11517	7.6
283.14078	4.4
284.12613	4.4
341.14609	4.6
380.15662	1.4
385.17343	1.4
470.18927	2.3
484.21143	1.1
493.82175	1.1
509.20264	4.0
514.21521	7.3
523.70941	1.0
527.21039	8.8
553.22156	5.4
571.23767	22.7
572.23779	2.7
597.24915	2.6
615.26294	47.2
616.26331	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	615.402
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88196	6.2
71.22165	8.5
71.22511	8.5
76.91945	6.0
140.15024	6.7
147.73642	6.8
185.12125	7.0
201.46590	7.0
211.13408	78.7
224.26126	7.5
277.21750	100.0
299.43640	8.1
325.14212	8.5
346.26434	6.5
364.26129	7.2
411.18906	6.6
580.29175	7.3
640.71136	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	617.3151
Annotation	BILA 2185BS
Peak:m/z	Relative Intensity
56.16671	1.4
61.33411	1.6
69.12115	6.0
69.12541	8.4
73.04071	6.5
74.02477	2.7
88.04053	35.9
93.35278	1.6
96.96003	3.7
98.21796	3.6
109.04034	2.0
116.07229	3.6
127.05157	16.8
128.03549	12.3
129.10370	8.8
130.08763	2.7
130.12973	1.5
134.05063	1.5
135.04532	1.6
138.02480	1.4
139.08818	2.1
140.07202	4.3
141.06747	1.7
143.11917	7.0
151.08823	1.5
153.10393	1.6
155.08286	6.8
165.10252	1.9
168.11409	1.7
169.09863	5.8
179.11902	5.9
180.10239	7.5
181.09872	2.9
184.07277	4.4
187.10909	6.1
200.14078	5.3
222.12476	22.2
223.10989	4.7
240.13600	15.7
244.13049	2.6
253.16733	2.9
279.14679	3.1
297.15643	7.9
335.21109	2.0
345.17746	2.0
355.16422	2.1
357.21497	3.7
448.18539	1.6
468.25076	3.8
513.07843	1.6
525.26965	6.2
526.78308	1.6
528.26691	2.0
551.05139	1.7
555.27979	2.9
569.29816	5.2
573.28918	43.6
574.29572	3.4
599.30414	6.2
617.31647	100.0
618.32043	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	617.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26746	1.1
53.50197	1.0
59.01384	100.0
64.57343	1.0
66.18824	1.2
69.12708	9.0
69.13118	1.9
73.26489	1.3
75.00880	9.4
77.83525	1.2
78.95939	2.7
86.39923	1.3
96.96023	8.8
103.00476	7.5
103.01503	61.5
103.04053	5.1
132.90820	1.1
208.63583	1.3
254.47466	1.3
400.36530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.65961	1.5
63.72079	1.6
69.10216	15.4
75.00871	8.2
78.95886	1.6
88.98830	1.5
98.22469	3.3
103.00381	5.8
103.01499	75.1
103.02185	3.7
424.81406	1.9
520.35236	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	618.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89491	0.8
52.78343	0.9
57.03446	0.9
59.01384	1.9
61.98836	3.0
66.37058	0.7
67.02995	0.9
69.18047	7.5
70.02959	0.8
71.01394	4.0
78.46553	0.7
82.02980	5.3
82.62718	0.9
82.95412	1.5
84.04556	1.7
96.96017	2.1
98.06137	1.0
99.02007	0.8
101.07202	4.7
102.05626	2.4
109.04103	2.9
110.06127	2.4
112.04059	2.9
113.07246	2.2
114.05631	1.9
116.05037	1.3
116.07179	21.2
118.06657	7.0
123.03291	1.0
125.03625	1.1
127.05143	16.8
128.03549	81.7
139.05251	0.9
141.10358	2.3
143.08582	0.9
145.06189	2.3
146.04599	5.2
146.06151	1.8
147.04506	1.4
153.06749	1.8
163.08778	3.7
164.07161	2.2
165.06653	4.0
167.11899	1.3
169.13477	10.8
170.09737	2.0
174.05577	2.0
179.04636	1.3
181.09805	6.7
183.11375	5.5
186.09268	1.2
207.07674	0.8
213.10547	1.3
213.12450	23.0
214.08760	7.9
214.12767	1.3
225.08835	11.3
231.11407	1.6
256.10843	1.0
257.09323	3.1
274.11905	1.2
275.10391	6.6
313.24997	1.0
324.15509	5.4
489.23343	1.1
600.26727	23.9
601.26849	3.6
618.27783	100.0
619.27899	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	619.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	9.4
59.01393	11.5
60.99313	16.5
61.98835	4.7
65.49198	0.8
70.53735	2.9
71.01410	6.6
73.02948	2.0
74.02476	1.0
82.95412	1.2
83.01413	1.2
85.02949	2.1
88.04047	1.0
88.98820	100.0
89.02460	3.2
96.00941	3.2
96.96003	1.5
99.04535	13.4
101.02451	6.9
113.02461	1.7
119.03493	1.2
120.01252	0.9
125.02481	9.8
127.05187	1.9
128.03600	1.1
129.10394	1.1
130.08752	1.0
135.04524	1.8
143.03542	1.2
147.04544	1.2
156.74611	0.9
161.02466	1.0
161.04579	2.0
163.11314	9.3
164.07234	2.0
166.08783	1.1
175.11270	2.8
179.05629	2.4
187.11368	1.2
205.12367	27.5
206.12700	1.4
209.09473	0.9
218.48883	0.8
221.06642	3.5
226.11986	1.1
263.07770	3.3
268.94644	0.8
357.14313	1.0
367.17596	1.4
374.17163	3.5
385.18423	1.3
416.71436	1.1
475.08047	4.3
529.23010	14.5
530.23700	1.2
584.26923	1.2
601.29840	3.4
619.31909	2.1
620.32245	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	619.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90063	0.5
57.03455	5.8
59.01384	8.0
60.99311	17.1
61.98820	1.6
63.80209	0.5
64.03985	0.5
71.01395	2.8
73.02940	1.6
83.01385	0.7
88.98811	100.0
89.02434	1.6
89.99138	1.2
96.96041	1.2
99.04521	10.5
101.02466	4.2
109.01730	0.8
113.02446	1.5
119.03487	0.8
123.04527	0.9
124.35884	0.5
125.02457	4.3
127.05163	0.5
128.03494	0.8
141.05511	0.7
143.03510	0.8
148.91025	1.1
149.04581	0.6
161.04539	2.0
179.03679	0.5
179.05537	0.9
181.99832	0.6
210.07747	0.8
221.06656	1.0
228.75352	0.5
229.48259	0.7
266.51111	0.5
385.18710	0.8
390.21402	0.7
427.19806	1.9
473.94775	0.6
475.08539	1.8
476.08554	0.6
485.24158	0.7
529.22876	6.7
530.23248	1.6
585.67291	0.6
588.14978	0.5
623.54218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64681	1.2
54.15098	0.9
59.01387	2.2
59.63812	0.9
61.98826	1.7
65.15184	1.1
68.99831	1.1
69.18074	8.9
70.27818	0.9
71.01381	2.8
81.07098	2.2
82.32281	0.9
84.35508	1.0
89.02446	2.8
96.96028	2.2
107.58447	1.0
109.06633	5.2
119.03502	1.6
123.04539	18.8
127.07674	14.9
128.00797	1.0
138.03238	8.5
153.05597	100.0
154.05945	2.2
161.04770	1.2
171.06633	11.3
228.03302	1.0
267.67609	1.0
285.47717	1.0
364.39944	1.0
439.16119	43.4
440.16437	5.4
619.22607	1.8
619.31635	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	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
68.53588	1.8
70.66398	5.7
80.08611	2.0
132.13020	2.1
152.95248	2.0
282.86539	2.3
320.70483	2.0
343.50925	2.3
353.30740	2.5
363.74756	2.2
401.14111	3.5
415.15662	4.3
416.16602	20.4
430.18018	5.8
431.18869	4.5
434.62646	2.0
459.18329	100.0
460.18802	11.0
473.19833	14.9
474.20410	8.4
518.19586	38.4
519.20471	4.1
532.21405	5.5
533.21960	57.2
534.22284	7.3
587.22552	4.0
619.25702	46.6
620.25903	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	619.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24710	1.1
53.95388	0.9
57.03452	36.3
57.22047	0.9
58.03803	0.9
59.01389	11.8
61.98825	4.2
63.32304	0.9
64.57529	1.0
67.50119	0.9
69.08859	2.6
69.09277	7.4
71.01402	5.4
73.02948	5.6
78.29107	1.0
79.39253	0.8
81.03448	1.9
83.01392	2.4
85.02939	1.8
89.02444	1.6
98.21789	1.7
99.00772	0.9
99.04527	29.9
101.02466	12.4
113.02448	2.0
118.11796	1.0
119.03500	1.1
119.45874	0.9
123.04543	3.6
125.01550	1.3
125.02451	20.5
141.05571	1.2
143.03505	2.6
144.58441	0.9
161.04546	2.8
176.30113	0.9
200.82172	0.9
205.27202	1.2
237.18556	1.0
253.21771	7.2
265.49231	1.0
275.61499	1.1
295.22778	2.2
297.24380	1.3
305.08868	3.6
313.23859	100.0
314.24243	7.7
327.25467	10.7
328.25659	1.4
355.24814	2.2
475.29211	1.5
619.32996	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	620.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01706	1.1
61.98840	1.8
64.93359	0.9
71.32465	1.4
76.84402	0.9
92.24487	1.0
102.95715	5.8
103.01512	87.8
125.12383	0.9
126.40095	0.9
152.99580	1.0
155.65926	1.0
193.69263	1.0
196.80415	1.2
277.21863	2.3
307.72754	1.3
340.33072	1.0
372.12506	1.0
385.56104	1.0
558.03687	1.5
621.23383	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	621.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.2
67.14024	0.9
69.02584	12.2
78.95921	1.5
116.92878	11.5
145.02985	1.9
152.99637	1.6
157.83054	1.0
165.88208	1.1
172.94626	0.9
184.17538	1.0
245.04605	1.1
262.46671	1.1
286.65799	1.1
335.79608	1.1
399.60760	1.2
431.15106	1.3
445.16727	2.3
446.17676	3.8
459.22543	2.2
460.18945	13.6
461.19827	31.7
462.20346	5.4
474.20609	1.6
475.21320	5.9
481.25690	1.9
519.20416	13.4
520.20923	3.6
533.22217	1.9
621.27234	100.0
622.27563	16.4
647.04547	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2725
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
61.98824	0.7
67.80395	0.6
70.84839	1.2
70.85163	0.8
72.04952	0.6
83.67365	0.6
121.06676	0.6
141.85199	0.6
147.96025	0.6
180.75827	0.7
325.12653	0.7
367.90472	0.7
417.16815	0.8
431.14880	1.3
445.16586	3.4
446.17578	4.0
459.22223	5.3
460.18936	12.6
461.19846	37.4
462.20099	4.4
474.20584	1.5
475.21417	7.0
476.21875	1.9
519.20410	21.4
520.20892	5.0
533.22083	2.2
535.23505	0.8
543.54810	0.7
621.27203	100.0
622.27466	18.0
623.36584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10414	2.0
55.01875	5.1
55.85949	1.7
57.03453	58.5
57.67173	1.7
59.01389	51.5
60.05823	1.9
61.98825	9.4
69.03414	2.1
70.28362	2.1
71.01387	47.0
71.39324	2.5
72.99297	3.3
73.02952	17.1
75.00858	2.4
78.35769	1.9
79.57947	1.9
81.03470	3.8
83.01390	15.4
85.02961	19.9
87.00885	5.0
89.02464	16.1
95.01384	3.8
95.29237	2.1
96.49300	1.9
98.13915	2.4
99.00890	10.0
99.04530	36.1
101.02454	63.4
112.98564	2.1
113.02455	24.3
119.03501	4.1
120.68398	1.9
125.02438	25.6
143.03502	5.8
159.02969	3.9
161.04562	20.7
163.38490	1.9
179.05623	4.3
315.18057	18.0
352.24561	1.9
459.22394	8.4
459.29623	6.3
477.23486	100.0
477.30487	8.6
478.23746	8.8
519.24536	20.3
559.28033	3.0
612.43585	2.7
621.26782	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	621.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39319	0.5
52.64472	0.5
55.03508	0.5
57.03451	33.1
58.00591	0.9
59.01382	8.0
59.46738	0.4
61.98828	2.5
70.97250	0.7
71.01385	4.1
73.02958	3.1
81.03444	1.3
83.01389	1.1
85.02963	0.8
88.50686	0.4
89.02444	0.7
96.37967	0.6
99.04523	23.6
100.04842	0.5
101.01801	1.0
101.02445	9.8
113.02454	2.0
119.03511	0.4
123.04525	2.1
125.02459	17.7
128.35976	0.5
141.05562	0.5
143.03502	1.5
150.35173	0.4
161.04549	1.9
203.05598	0.6
224.97337	0.5
239.20219	2.4
253.21819	2.3
255.23305	2.1
263.94025	0.5
269.24854	0.5
297.24390	3.9
299.26031	1.0
305.08774	3.3
315.25409	100.0
316.25769	8.5
329.27002	8.0
353.79691	0.5
357.26413	1.9
459.29968	0.7
477.30539	2.9
519.31903	1.0
562.18219	0.7
621.35004	5.0
622.35016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93253	0.8
59.01382	100.0
71.32054	0.9
71.32460	1.1
78.95901	1.0
102.95693	4.9
103.00401	2.2
103.01501	85.5
104.83242	1.0
162.13429	0.8
270.87729	0.9
279.23334	1.2
293.29248	0.9
309.05701	0.9
380.48517	0.9
392.92599	1.0
408.46579	1.0
619.49091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26062	1.4
59.01392	13.3
64.89536	1.2
70.84219	2.9
71.01389	12.4
72.99317	1.7
73.02947	2.0
85.02959	2.8
85.48146	1.2
87.00883	2.5
89.02461	9.3
97.02998	1.6
101.02456	11.3
113.02451	3.2
143.03574	1.8
148.80052	1.5
161.04561	1.7
165.12881	16.5
183.13916	67.0
184.14252	2.8
227.12877	17.7
268.96048	1.6
362.80005	1.4
397.13168	1.5
415.14621	3.8
625.27161	100.0
626.27533	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	627.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
59.01382	69.1
61.98840	1.1
69.03484	0.8
71.01389	9.7
71.05015	0.9
71.18433	1.4
71.55170	0.6
73.02932	1.9
82.95409	0.9
83.01389	2.9
83.05015	1.4
83.51620	0.7
85.02949	2.9
87.00897	5.1
89.02450	9.2
96.96014	20.7
97.06597	2.4
99.04519	2.4
101.02451	6.0
107.05036	5.4
108.71092	0.7
112.43742	0.7
113.02446	5.8
114.93424	1.2
115.92124	0.9
116.92851	1.4
119.03524	3.5
125.02473	1.5
135.04526	2.2
143.03532	1.8
159.08237	0.8
161.04529	2.9
161.09741	4.7
161.13333	3.0
163.11275	2.3
179.05611	2.8
187.11322	7.2
189.09276	2.0
203.10797	1.3
205.12340	4.1
207.10237	6.2
223.13399	45.9
224.13725	2.2
249.11328	6.3
267.12378	100.0
268.12714	7.6
269.98682	0.8
291.12460	1.9
309.13483	2.9
339.14377	0.8
369.15533	3.1
371.95703	0.8
411.16721	2.1
429.17642	70.0
430.17850	6.6
483.24503	1.7
533.97009	0.8
613.12329	0.8
627.19855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08701	1.0
51.90805	0.9
52.80096	1.1
53.75682	0.8
53.98674	1.0
56.13524	0.9
57.03448	6.3
59.01387	74.6
61.98832	2.5
70.49023	2.0
70.49396	2.2
71.01391	7.8
71.05034	1.6
71.88211	1.0
73.02940	2.1
83.01394	2.9
83.05031	2.3
85.02981	2.1
87.00887	4.5
89.02464	7.0
96.00930	1.2
96.96033	15.6
97.06593	2.7
99.04520	1.7
101.02444	6.2
107.05034	3.5
109.33564	0.9
112.52119	1.0
113.02445	5.6
113.03566	1.1
119.03525	2.5
119.05007	1.0
123.92076	0.9
125.02453	2.6
127.51290	1.1
128.03577	2.6
135.04555	2.6
137.06174	1.0
143.03497	1.4
156.01477	1.1
157.05325	1.2
161.04567	2.5
161.09752	6.0
161.13297	2.5
163.11292	2.6
176.98859	0.9
179.05626	3.0
187.11282	7.3
189.09264	3.0
205.12317	5.3
207.10233	5.0
213.12425	1.1
214.12996	1.2
218.99863	1.0
223.13420	44.9
224.13837	1.9
229.12405	1.4
229.14458	1.7
249.11407	6.0
267.12418	100.0
268.12753	6.9
291.12512	1.8
309.13486	4.2
369.15527	4.1
393.15421	1.3
395.15576	1.1
425.16965	1.1
429.17679	61.9
430.18100	5.6
610.32330	1.4
627.34705	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	627.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.2
59.01387	62.8
61.98831	1.7
66.95900	0.9
69.03442	1.1
71.01395	10.8
71.05039	0.9
72.99315	1.3
73.02950	2.7
78.12986	0.9
82.95431	16.7
83.01395	2.7
85.03010	1.7
87.00877	4.7
88.04057	3.5
88.49500	0.9
89.02450	11.1
96.00883	1.6
96.96024	7.6
97.06606	3.8
99.04527	1.8
101.02448	7.6
102.05592	2.8
107.05032	10.2
109.02985	1.2
113.02478	7.0
119.03532	3.2
120.05827	1.6
125.02467	7.1
127.05145	1.1
128.03558	6.8
130.08739	2.3
135.04523	2.8
141.05615	1.3
143.03429	1.1
146.04605	1.8
150.03239	1.4
152.03604	1.1
153.03107	1.9
161.04633	1.9
161.09735	8.6
161.13388	3.9
163.11302	3.8
164.26607	1.1
170.09357	2.3
179.05635	3.0
187.11331	10.9
189.09206	2.7
203.10759	2.1
205.12370	4.1
207.10374	5.4
223.13416	53.0
224.13705	2.7
229.12495	1.2
229.14642	1.1
231.10385	1.0
249.11331	8.3
266.61517	1.2
267.12402	100.0
268.12723	5.8
309.13345	3.5
369.15601	3.8
395.15674	2.4
425.16840	4.4
429.17700	61.2
430.17914	6.2
454.26761	2.7
462.50916	1.0
583.30939	5.4
627.20245	2.4
627.34296	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	627.2101
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.86637	0.2
61.98789	0.5
61.99087	0.2
69.11012	0.2
71.31909	0.2
71.32291	0.2
73.02954	1.1
125.72562	0.2
161.98401	0.2
198.71971	0.2
218.20421	0.2
245.41255	0.2
362.71017	0.2
434.13773	0.2
437.12384	1.4
438.13065	1.5
449.16000	0.3
450.13116	0.3
451.13965	1.9
452.14960	5.0
453.15256	0.9
454.13324	0.2
464.15057	0.2
465.11081	0.3
465.16794	1.0
466.16306	0.9
467.17221	0.5
469.11450	0.5
470.11795	0.4
478.12711	0.4
479.17920	1.3
480.13730	1.0
481.15070	9.4
482.15576	2.0
484.13846	0.7
492.14359	0.3
493.15427	1.5
494.15704	0.6
495.16766	17.3
496.17218	4.2
502.14740	0.3
507.15924	1.0
508.17313	2.4
509.18631	1.5
512.13068	1.7
513.13660	0.2
514.15063	0.2
518.16431	0.3
519.16919	0.4
521.14923	0.8
522.15295	0.6
523.16425	0.7
523.19666	0.7
524.14056	0.2
525.16388	0.3
526.15234	0.9
533.18378	0.8
534.17981	0.3
535.16345	2.0
536.17035	3.1
537.17035	0.4
539.15894	0.6
540.17133	3.5
541.16492	0.8
544.16028	0.4
551.19403	42.9
552.19672	9.7
553.17743	0.6
554.18597	1.0
555.18774	1.6
567.18896	0.4
568.15851	0.9
569.16388	0.5
572.15558	2.7
573.16022	0.9
583.22186	0.5
586.17169	2.5
587.17224	0.5
595.08716	0.4
595.18414	9.5
596.18616	2.3
627.21008	100.0
628.21271	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2106
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.66161	0.7
63.17173	0.8
69.22165	6.0
69.22581	1.5
73.02940	1.5
76.02936	0.8
76.82554	0.9
89.77662	0.8
98.21812	1.6
147.87711	0.8
158.26439	0.8
164.51588	0.8
206.65807	0.9
211.39600	1.1
437.12772	1.1
438.13345	2.2
451.13953	1.5
452.15076	4.1
453.15619	1.0
466.16470	0.9
480.14499	1.9
481.15082	10.0
482.15646	2.5
483.13217	1.0
493.15259	1.2
494.16095	1.2
495.16849	17.7
496.17252	4.8
508.17484	2.9
509.18307	1.4
512.13239	1.6
521.14551	1.1
523.16895	1.7
526.14862	1.7
535.16205	2.7
536.17029	2.3
540.16870	3.9
551.19409	47.7
552.19781	9.4
555.18610	1.4
568.16010	1.8
572.15442	3.4
586.17224	3.1
595.18597	6.8
596.17426	1.1
625.38916	1.0
627.21057	100.0
628.21338	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	69.9
58.00587	4.2
59.01386	96.3
60.79956	3.4
65.04008	4.0
69.03461	16.3
71.01388	58.8
71.32199	6.5
73.02960	28.3
74.02459	5.7
80.91689	16.5
81.03484	5.2
82.95432	4.7
83.01404	12.8
83.05045	4.7
85.02969	12.0
87.00893	6.8
89.02463	32.7
95.01378	5.1
96.96075	5.6
97.02876	4.6
99.04521	42.8
101.02459	53.8
113.02461	29.9
114.05586	5.2
119.03518	12.8
121.02755	17.8
123.04556	10.0
125.02454	65.7
128.03535	6.7
129.10321	5.2
130.08746	7.6
137.82860	3.6
139.03778	26.9
141.01701	20.2
143.03511	5.8
149.02454	5.2
149.09793	5.5
150.03271	8.6
151.03716	3.9
151.07642	7.2
152.03629	4.6
152.69963	3.9
153.01782	7.8
153.05356	11.3
161.04625	13.6
161.09731	6.0
161.68285	3.8
165.01703	5.8
165.05603	11.4
165.09190	13.8
173.09686	4.4
175.11288	10.2
177.09109	3.9
177.12886	5.3
179.05669	5.3
179.10806	44.6
181.04834	8.4
183.02774	19.8
195.06689	15.0
202.12064	3.7
203.05666	5.8
203.10808	36.1
209.08195	8.9
221.06548	7.0
221.11797	25.0
225.03809	81.0
226.04128	6.7
243.09979	9.0
255.04968	9.9
259.09531	6.6
261.11115	13.0
285.05978	12.5
285.11087	4.5
321.15472	7.2
327.07025	7.5
327.60101	3.9
357.13376	8.3
383.17194	15.3
387.09094	4.6
401.18228	33.6
405.15387	58.3
406.15546	6.6
423.15918	34.2
443.19135	10.0
447.16028	6.3
465.16693	54.4
466.16791	8.3
501.22900	4.0
525.19226	5.1
545.22485	100.0
546.22522	7.7
565.27826	3.8
567.20825	46.4
568.20306	5.0
627.33679	11.9
628.34595	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	627.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
56.31569	1.4
57.03452	6.2
59.01381	25.8
61.01424	1.4
61.61940	1.7
61.98838	14.5
68.99583	3.4
69.03435	1.6
71.01386	40.1
71.25540	1.3
71.33517	1.5
72.05782	1.3
72.99323	2.0
73.02947	14.2
79.95737	2.6
80.96529	10.3
82.95399	1.8
83.01397	7.8
85.02962	17.7
87.00898	2.7
88.98803	3.0
89.02459	13.9
94.98119	3.4
95.01419	2.4
96.96026	5.1
97.02980	2.7
99.00902	4.5
99.04571	3.0
101.02455	36.8
112.98573	3.0
113.02457	16.2
114.93381	1.4
119.03533	3.4
125.02540	3.3
135.04562	3.3
143.03560	2.4
161.02536	3.5
161.04579	12.5
179.03525	1.6
179.05701	2.0
181.59380	1.3
225.00739	3.0
236.99857	1.4
303.19659	7.6
326.41025	1.6
465.24887	22.1
465.31326	1.8
466.25516	3.2
627.30188	100.0
628.30414	15.4
655.27814	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	629.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81968	0.3
57.03455	2.2
58.74819	0.2
59.01379	2.4
61.95161	0.3
61.98835	0.8
62.83352	0.3
68.85424	0.3
71.01390	1.3
71.32999	0.5
72.99300	0.3
73.02981	0.4
73.04060	0.3
74.02468	0.5
74.91297	0.3
79.95754	0.3
82.95463	0.6
83.01353	0.5
84.95132	0.8
85.02987	0.3
89.02432	0.6
93.36217	0.3
96.00912	0.5
96.96024	9.8
97.02943	0.4
98.95590	4.5
98.96502	0.5
99.00903	0.4
99.04541	2.4
99.92595	17.6
100.92638	0.8
100.93388	0.8
101.02444	1.7
113.02463	0.7
113.03562	0.5
114.05621	0.3
114.93418	0.5
114.94952	1.3
115.92089	12.5
116.92870	100.0
117.92889	4.9
117.93665	0.5
121.42289	0.3
123.40284	0.3
124.44564	0.3
125.02438	0.8
127.05148	0.5
128.03560	1.0
130.08737	0.9
133.02948	0.7
135.04506	0.7
138.98543	0.5
139.95706	0.9
140.96524	0.4
141.93634	0.7
146.06140	0.4
148.51242	0.3
149.09714	0.5
156.96017	0.7
158.93953	1.4
161.02483	1.1
161.04599	0.9
175.11327	0.3
179.05678	0.3
182.97533	3.2
183.94760	1.1
198.97076	0.4
199.94188	0.4
209.96349	0.4
212.94760	0.4
226.96545	10.3
227.96826	0.6
229.14580	0.5
230.14862	0.3
241.12071	0.3
305.04532	0.3
310.98456	0.5
378.90088	0.3
404.00500	0.4
411.64679	0.4
449.09598	0.4
484.24713	0.3
513.15344	0.5
517.79352	0.4
531.24768	0.4
585.32916	0.4
593.13300	2.4
594.13806	0.5
611.14417	0.6
611.59839	0.4
628.37482	0.7
629.15442	27.5
629.32141	1.1
630.15796	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	629.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25700	0.6
55.01876	2.7
59.01377	1.1
61.49738	0.7
67.01904	0.9
71.01398	0.8
71.31504	0.8
81.03471	2.1
92.05109	1.2
97.02944	1.4
99.04534	2.4
104.05116	1.9
108.04579	3.1
111.00858	1.3
113.02488	1.4
122.06146	2.4
123.04517	7.5
124.01659	1.3
125.02460	100.0
126.02799	2.8
132.04575	2.6
150.05606	2.9
152.03551	80.9
153.03934	1.4
156.00652	1.1
157.99973	0.8
161.02469	3.1
167.03539	4.0
194.04575	7.8
254.06659	0.9
314.08813	2.4
323.08594	0.7
341.08743	0.9
416.20950	0.7
554.55981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03463	18.6
59.01131	1.9
59.01393	24.6
61.98839	7.4
62.03856	1.4
66.95918	1.4
69.63039	7.7
71.01392	17.9
72.99297	1.6
73.02950	11.0
74.02472	2.0
81.03487	1.4
82.95427	53.2
83.01415	7.7
85.02940	2.4
89.02464	10.6
96.00909	2.5
96.96061	1.9
98.97926	1.4
99.04539	4.0
101.02457	30.6
113.02456	5.3
113.03564	2.1
119.03526	3.6
123.04536	3.4
125.02468	6.9
127.05152	2.7
128.03513	4.0
129.10329	2.3
135.04521	3.0
145.07722	4.6
160.06450	11.8
161.02556	2.4
161.04610	2.2
161.07225	50.6
162.07539	2.9
173.10886	1.8
175.08791	23.7
179.03453	2.1
185.10934	1.8
187.08798	4.1
189.06731	74.2
190.06924	2.3
201.10382	4.3
203.08275	22.4
203.11908	7.9
229.09839	13.0
241.09775	3.3
277.12015	3.9
300.19116	1.8
305.11438	18.0
314.34573	2.1
323.12347	2.6
467.16858	5.7
485.17844	100.0
486.18079	10.8
527.18890	49.0
528.19153	4.2
545.21906	1.6
567.21375	6.3
629.22113	10.0
629.34045	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	629.3527
Annotation	CHEBI:69147
Peak:m/z	Relative Intensity
50.52781	1.3
50.93185	1.4
55.28910	1.4
57.03452	1.5
59.01387	8.1
61.98838	2.6
67.01907	1.9
69.35172	8.2
70.02975	5.2
70.97941	1.3
71.01396	2.8
72.00903	2.4
73.04097	1.7
74.02486	45.1
75.51427	1.2
76.18649	1.6
82.02998	2.1
82.06633	2.5
82.95429	5.0
84.00936	1.5
87.05646	25.0
87.06171	1.7
88.04083	1.6
89.02457	2.6
96.00935	25.4
96.96019	7.8
98.02474	12.4
99.02008	1.7
99.04548	2.1
99.92574	1.7
101.02486	2.3
109.01754	2.2
110.02483	15.7
111.00901	25.4
112.02770	1.5
113.03635	4.1
113.07214	1.6
114.02002	4.2
115.08795	3.4
115.92114	1.8
116.92877	9.9
118.05143	6.0
119.03522	1.7
121.97939	1.4
123.03288	2.9
125.02525	2.7
125.03541	2.0
125.07199	2.4
127.05199	3.1
128.03610	4.4
129.10359	9.4
130.08812	7.4
131.04652	3.0
135.04547	1.8
138.09230	2.2
139.08839	2.1
140.07172	7.1
141.06667	2.6
143.11923	7.2
151.08783	4.2
153.10361	2.0
155.08301	6.4
165.10356	12.3
166.08768	15.6
167.08313	4.9
169.09869	4.7
169.13498	3.8
172.10960	1.9
179.11925	2.0
180.10303	11.6
181.13498	3.0
183.11429	5.4
183.15102	2.8
186.12582	4.1
187.10928	6.0
191.08334	2.1
193.09778	2.1
193.13490	7.1
194.12027	2.0
200.14142	1.6
209.09354	17.8
211.10956	2.3
211.14613	4.6
222.12422	1.9
223.10867	1.6
228.17267	4.9
240.13585	6.3
241.11864	2.0
242.18866	6.5
243.17317	1.8
254.15266	2.6
261.16217	2.0
263.21390	1.9
266.15213	3.6
267.12469	4.0
268.16772	2.2
268.20319	1.6
280.24084	1.5
285.19305	2.3
286.17703	1.8
294.18289	2.3
297.15915	1.8
342.21628	2.4
399.26361	2.0
422.23560	1.8
429.17831	4.0
435.25906	9.6
443.28751	3.0
461.27667	6.5
471.27408	6.1
479.24875	29.6
480.25848	2.9
504.77002	4.6
505.27197	2.7
510.29605	7.4
523.27911	19.4
524.28174	3.1
541.27960	1.6
554.27478	1.5
567.31396	25.2
568.31958	2.3
585.32654	2.3
611.34192	100.0
612.34479	12.8
629.35284	63.1
630.33575	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	629.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14875	0.3
56.69331	0.3
59.01369	0.5
64.94396	0.3
65.00327	0.3
69.43383	0.7
69.43795	1.7
74.02488	0.7
77.03986	3.5
89.03984	1.2
93.03445	0.4
95.05041	6.8
95.05636	0.5
96.00939	0.6
96.05396	0.3
96.96000	0.7
98.95605	0.3
100.83337	0.3
105.03474	22.4
106.03814	0.7
109.01698	0.3
116.92876	3.2
121.02979	1.0
123.04553	1.4
132.02219	0.8
133.02974	100.0
134.03288	2.7
149.02463	0.9
151.04042	1.2
169.15440	0.4
177.01949	54.1
178.02322	2.7
219.90254	0.3
270.80786	0.3
479.24954	0.5
523.28088	0.5
611.33710	1.2
629.15570	0.9
629.34442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01377	1.2
66.03464	0.6
68.10155	0.5
68.72821	0.4
70.05068	0.7
70.05467	0.9
71.01371	0.6
82.06623	2.1
82.95425	6.7
84.04565	0.5
84.08192	0.5
88.77537	0.4
89.02467	0.6
96.00945	0.4
98.21898	0.6
101.02447	0.7
112.07679	0.8
113.02469	0.6
114.09290	0.5
121.71839	0.4
125.02440	0.5
127.05148	1.2
128.03571	1.1
129.10326	3.0
130.08752	28.0
131.09100	0.6
135.04510	0.6
141.10332	0.6
157.13472	3.3
161.02452	1.2
161.04549	0.5
171.57021	0.5
179.03386	0.6
182.15553	2.3
184.10744	0.4
197.12917	1.6
198.13313	0.9
199.18172	13.5
200.18501	0.7
241.11971	3.1
242.12289	1.4
243.13670	4.7
243.17149	100.0
244.17523	4.8
363.71573	0.5
389.01138	0.4
472.79044	0.4
485.22592	0.6
612.29950	0.7
629.32697	1.3
630.30872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01381	1.1
66.95932	0.7
71.01364	1.0
74.02472	0.8
82.03005	0.7
82.06613	2.3
82.95423	10.3
84.08188	0.6
85.02925	0.5
89.02436	0.9
96.00925	0.6
98.02509	0.5
98.22536	0.9
102.99096	0.4
110.51082	0.4
112.03992	0.6
114.09256	0.8
125.02463	0.6
125.03596	0.4
127.05176	0.7
128.03564	1.4
129.10324	2.9
130.08748	29.3
131.09108	0.9
135.04517	0.6
139.07512	0.4
141.10307	0.9
157.13446	2.5
161.02412	0.9
179.03458	0.6
182.15491	2.5
197.12962	1.1
198.13344	0.5
199.18161	17.0
200.18517	1.0
205.05136	0.5
239.74849	0.4
241.11987	3.7
242.12291	2.0
243.13223	3.7
243.17140	100.0
244.17468	5.7
285.19345	0.5
342.97272	0.4
570.94006	0.5
628.80688	1.2
629.32159	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	630.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.35970	4.4
151.81100	0.6
189.04970	0.7
334.12753	0.7
378.88522	0.7
421.03589	0.7
523.16565	0.6
539.74707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93308	0.5
57.03453	10.3
59.01120	0.7
59.01385	7.0
61.98816	1.5
71.01371	3.5
71.32870	0.7
71.33239	0.5
73.02951	3.1
83.01386	0.7
86.02451	1.1
89.02438	2.5
96.00919	0.6
96.96001	3.9
99.04528	5.9
101.02435	4.2
104.80674	0.5
113.02463	1.9
114.96395	0.5
119.03555	0.9
120.01262	100.0
121.01564	1.4
123.04585	1.0
125.02469	3.1
128.03519	1.3
133.02962	0.7
135.04523	0.8
161.02460	0.9
161.04567	2.1
161.09740	0.6
179.03517	0.6
179.05615	0.6
187.11295	5.9
190.78802	0.6
205.12387	6.1
221.10080	2.0
230.15479	1.2
306.07843	1.1
311.20712	0.6
315.70477	0.5
321.04343	0.6
334.17853	1.0
370.37402	0.6
475.90744	0.6
488.19617	32.4
489.20020	4.5
511.21841	4.0
517.13336	1.2
529.22321	0.6
530.20752	12.1
531.21100	2.4
570.23761	1.9
632.23517	14.9
632.30896	1.4
633.23999	2.8
649.80023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13668	1.2
52.54029	1.1
59.01376	1.5
69.03066	1.3
69.06548	14.2
70.02987	3.3
71.01389	2.1
73.04063	8.2
81.80891	1.4
82.02988	2.1
83.02532	2.0
88.04047	40.0
88.33201	1.2
94.38184	1.2
96.00924	22.6
98.02470	4.0
99.04585	1.4
99.05646	1.9
103.56767	1.2
109.04086	4.9
110.02490	11.6
113.03577	2.3
114.01979	7.1
124.04000	1.8
125.02424	3.0
127.05145	2.6
130.08711	1.4
133.02936	1.3
135.02017	1.6
135.04567	2.2
144.07820	3.2
149.03606	1.5
151.08765	2.6
152.07193	2.9
153.03062	16.8
155.08299	1.9
155.11989	1.6
157.13530	1.9
164.36127	1.3
169.09834	2.2
170.05745	18.9
171.04117	5.3
181.09822	1.8
188.06816	2.6
201.12437	9.5
209.07140	1.3
211.03647	1.6
214.15581	1.7
258.14493	3.8
270.14587	2.6
286.06934	1.5
292.13147	6.4
293.12299	2.8
306.10968	1.6
364.04224	1.6
395.15762	23.9
396.16235	3.1
407.15533	1.8
425.16809	100.0
426.17203	9.0
443.17767	4.0
596.23169	3.5
614.24341	7.6
615.23877	1.4
632.25165	8.8
633.26569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65707	0.4
61.98832	0.8
63.87213	0.4
69.23044	2.5
69.23460	1.2
71.01373	0.5
105.03432	0.7
117.03484	0.7
132.02188	2.2
133.02968	32.8
134.03694	0.8
135.04535	14.5
136.04790	0.5
149.06137	0.6
159.12218	0.5
161.02455	100.0
162.02792	3.2
175.03989	0.5
177.05614	0.7
179.03510	23.8
180.03838	1.1
203.03511	4.2
206.11485	0.7
221.04532	0.8
291.19772	0.9
295.13406	0.4
309.20605	2.8
471.24048	1.5
633.29266	9.4
634.29395	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	634.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10454	1.5
59.01381	5.4
71.01376	4.1
80.44405	1.1
83.16299	1.2
83.52988	1.3
87.20971	1.3
89.02462	3.1
95.15707	1.3
98.22648	2.8
101.02465	1.7
101.17607	1.4
113.02435	1.5
119.03570	1.4
120.07220	1.3
126.06758	1.4
127.05147	2.2
133.02965	30.0
135.04552	11.1
144.07802	9.9
147.04544	2.7
161.02457	100.0
162.02821	4.0
164.07159	3.0
177.05611	1.4
179.03499	24.4
186.09584	1.5
203.03633	1.9
221.04552	1.9
281.06754	4.3
292.13104	16.6
293.12613	1.6
341.08774	48.6
342.09155	5.5
503.80539	1.5
516.36084	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	635.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93444	0.6
59.01383	6.4
71.01398	3.0
72.79713	0.6
79.83045	0.6
80.87999	0.6
85.02969	0.6
85.06599	1.0
89.02446	2.2
99.18336	0.8
101.02473	1.6
113.02469	0.7
119.03497	1.5
121.70763	0.5
124.86673	0.5
127.36699	0.6
131.07175	3.3
132.02234	1.0
133.02982	24.2
135.04553	11.4
149.06076	0.9
161.02467	100.0
162.02843	4.4
177.05667	1.0
179.03516	21.4
180.03847	1.2
201.08167	0.6
203.03638	3.0
203.05251	0.7
206.60622	0.6
221.04619	1.1
281.06628	1.1
293.12485	9.3
294.12738	0.8
332.17456	0.5
341.08807	48.4
342.09131	4.6
524.06348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04701	3.1
57.03459	21.0
59.01382	35.3
60.99314	23.9
62.57741	2.7
69.03470	5.4
69.69369	16.4
71.01393	23.7
73.02948	13.2
79.19099	2.6
83.01373	4.3
87.00878	3.3
88.98810	100.0
89.02443	12.3
96.95979	3.8
97.02992	2.7
98.95589	2.9
99.04529	30.9
101.02435	26.5
102.09138	2.8
105.32870	2.7
109.02965	3.8
110.75793	2.7
113.02473	11.5
119.03524	5.6
123.04546	4.6
125.02477	23.9
128.03525	7.3
129.10387	3.0
130.08704	3.3
135.04515	2.9
149.34210	2.8
159.04509	7.2
161.02525	4.6
161.04590	8.1
161.09703	4.4
165.09213	3.6
179.05580	6.0
179.10722	20.6
201.09804	3.0
203.10829	6.8
221.06699	4.3
221.11765	14.1
277.15723	4.3
383.17218	4.6
401.18127	25.1
437.24075	3.2
443.19275	6.6
491.07559	5.2
545.22437	60.7
546.22748	8.3
617.27655	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	635.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	0.7
59.01389	4.3
63.58226	0.5
69.27931	4.5
71.01398	3.3
78.14085	0.5
85.06598	0.7
89.02432	2.8
101.02451	1.6
113.02491	1.0
113.25761	0.6
118.25112	0.6
119.03507	1.0
119.65736	0.6
131.07153	3.0
132.02209	1.3
133.02975	21.3
135.04546	10.0
142.69507	0.5
161.02466	100.0
162.02802	3.5
175.03986	0.7
177.05577	1.2
179.03526	26.2
180.03871	1.2
203.03450	2.6
221.04596	1.2
251.05582	0.7
281.06778	1.4
293.12430	8.9
293.15298	0.9
309.48746	0.6
313.52414	0.6
341.08807	51.6
342.08969	3.6
343.33743	0.6
434.17111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09590	5.8
69.10011	7.0
101.65459	1.2
246.96196	1.3
340.57550	1.4
431.15085	1.8
445.16528	2.2
446.17401	2.4
473.19861	1.6
474.17148	5.9
475.17715	17.7
476.17978	3.5
489.19153	4.9
490.19565	2.6
533.18280	16.7
534.19025	1.7
635.25159	100.0
636.25293	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	636.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66010	1.2
57.86463	1.5
58.02980	10.2
59.01350	1.2
60.99310	1.7
61.98838	1.4
64.53259	1.2
70.02974	5.5
71.01385	1.6
71.32677	2.2
72.00928	2.6
78.54658	1.1
84.93545	1.2
88.98798	12.2
88.99242	1.2
91.05542	4.5
99.04508	1.7
109.02991	1.5
125.02471	1.9
130.08728	1.2
147.04530	21.0
164.07190	57.1
164.08569	3.1
206.08243	100.0
207.08540	4.5
222.09145	1.3
242.87979	1.4
251.09589	1.4
403.77933	1.2
411.49771	1.3
636.28851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01376	1.9
60.99309	14.9
61.98811	0.9
69.55927	0.5
71.01372	1.4
71.32748	1.0
72.06078	0.5
73.02571	0.5
88.98811	100.0
89.02454	0.9
89.99145	1.3
98.73074	0.5
99.04530	2.8
100.33759	0.5
115.00319	0.7
120.06248	0.5
129.10341	0.6
148.34344	0.5
153.10400	0.6
199.55383	0.6
202.59862	0.5
277.15656	0.5
318.96588	0.6
547.24292	1.6
637.28717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.7
59.01382	15.4
61.98820	1.0
69.03455	0.5
70.07520	1.4
71.01387	9.1
72.99261	0.6
73.02953	5.4
79.05556	0.5
81.03477	0.5
83.01376	2.6
85.02941	1.7
86.20460	0.5
89.02448	5.8
98.33111	0.5
99.04528	5.0
101.02451	8.5
101.73014	0.4
113.02457	4.0
119.03502	2.2
123.04531	2.2
125.02471	2.6
143.03448	0.7
149.04500	0.7
161.04568	3.9
179.05624	1.7
193.17235	0.5
201.12840	1.0
203.05634	0.6
233.71193	0.4
263.07684	0.8
269.19128	4.2
287.20209	6.7
305.08820	5.9
313.18130	13.1
313.21762	0.8
314.18307	1.1
323.09741	1.3
331.19171	100.0
332.19537	9.0
354.98105	0.5
373.20041	2.8
407.00064	0.5
463.36139	0.5
492.26804	0.5
493.24487	23.7
494.24899	3.3
516.41058	0.5
535.25653	9.4
536.26038	0.8
575.28687	2.5
637.28687	30.0
638.29059	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	637.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.9
69.18009	46.7
69.18427	20.2
71.01392	9.2
74.02483	53.5
78.38564	8.1
93.03475	13.6
96.00934	88.4
96.96059	10.6
98.02485	29.0
99.00890	11.8
108.67119	6.4
109.02959	9.2
110.02496	38.9
111.00891	24.4
113.03592	75.5
115.00366	11.3
116.07239	15.0
118.05090	14.7
119.05040	81.1
121.02927	8.2
127.05151	14.5
128.03595	18.7
130.08725	34.4
133.02983	37.9
135.04549	20.5
143.11896	23.1
149.06168	13.1
153.10402	15.0
161.02467	24.4
162.05617	36.5
162.72716	8.3
167.08171	8.4
169.09837	18.5
177.01982	21.9
179.03542	8.4
179.73080	7.6
184.07243	8.5
187.10799	14.8
222.16240	10.5
233.04445	12.3
246.97772	8.2
259.07306	12.4
269.08167	10.4
271.21362	15.0
276.09894	11.5
277.03571	39.8
283.17606	8.7
297.19287	9.2
300.19388	36.4
306.07535	11.2
334.10052	7.7
393.39853	7.8
463.62527	7.6
473.43417	8.4
501.23993	10.6
514.26978	14.4
523.25208	10.2
557.30109	10.2
558.25653	94.3
575.28101	22.8
601.29608	9.9
602.28387	69.6
603.28851	13.3
619.31281	87.8
620.30383	26.4
637.32214	100.0
638.31665	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03453	31.7
59.01382	53.8
61.98835	17.3
69.03447	3.2
71.01387	73.4
71.32878	3.1
72.99310	2.0
73.02929	2.0
81.03494	2.1
83.01405	5.0
85.02950	35.1
87.00853	4.1
89.02444	32.6
90.51563	1.8
95.01394	13.3
96.96024	3.6
97.02954	5.2
99.04526	20.5
101.02449	21.2
113.02458	100.0
116.92883	2.7
119.03513	11.9
125.02473	20.2
131.03482	4.5
141.68440	2.0
143.03506	15.5
149.04643	2.3
152.03525	2.0
155.03508	7.2
161.02490	3.8
161.04562	73.2
162.04880	2.4
179.05624	37.7
203.05663	22.2
226.80492	1.8
243.08600	3.4
260.90372	2.2
305.08829	2.8
341.10733	3.4
475.60989	2.5
556.82062	2.3
573.76257	2.1
639.27191	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	639.287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79879	2.2
55.01868	4.2
57.03457	13.1
58.13503	2.0
59.01382	88.0
61.06082	2.3
61.98837	20.1
69.03445	4.9
69.10615	25.2
71.01385	100.0
72.99339	7.3
73.02952	22.0
75.00913	2.8
83.01413	19.7
84.46255	2.4
85.02951	39.9
87.00885	9.5
89.02450	67.9
95.01413	10.9
97.02972	8.0
98.21799	5.0
99.00908	10.5
99.04546	9.1
101.02451	92.5
101.06377	2.5
102.11774	2.2
112.98634	2.5
113.02458	61.6
116.92887	3.6
119.03501	30.4
125.02459	9.7
131.03516	7.8
133.02983	6.9
134.03734	2.7
135.04529	3.4
143.03470	19.8
161.02420	8.2
161.04556	49.3
178.42624	3.6
179.05624	32.2
207.21881	2.4
263.07690	6.0
303.80096	2.3
315.18121	11.5
326.42322	2.3
333.20505	3.4
443.79208	2.4
459.22537	2.5
477.23508	69.1
477.30206	4.2
478.24106	5.6
639.28442	68.1
640.29114	9.1
666.72174	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	639.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50906	1.1
52.19746	1.2
57.03453	42.1
58.00571	1.2
59.01384	46.8
60.29020	1.1
60.84794	1.4
61.98831	7.9
66.28805	1.2
67.37103	1.2
67.57813	1.3
69.13908	11.3
71.01385	21.7
72.99302	1.4
73.02950	12.2
79.05525	1.6
81.03451	2.4
83.01395	5.0
85.02940	2.9
87.00880	1.2
88.59097	1.1
89.02456	18.6
95.01402	2.1
99.04525	33.7
101.01812	1.9
101.02452	31.4
113.02465	12.8
113.06094	2.9
116.49410	1.1
119.03501	8.7
123.04537	7.6
125.02456	19.7
131.03508	2.5
143.03502	4.9
149.04543	2.8
150.48465	1.1
153.05724	1.3
161.02487	1.7
161.04573	36.0
179.05612	21.1
203.05643	4.5
221.06708	2.5
233.06570	3.3
263.07730	19.8
267.42377	1.2
268.60428	1.2
269.19028	6.2
271.20761	2.2
287.20096	2.8
289.21625	1.4
305.08826	17.1
315.19821	4.0
322.95328	1.2
323.09851	57.8
324.10196	3.3
331.19034	1.8
333.20728	100.0
334.21136	10.1
492.67868	1.3
639.29901	11.4
640.30493	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	640.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.03761	10.4
69.04187	6.6
95.73795	1.5
118.47415	1.5
150.82417	1.7
151.22574	1.6
171.01805	1.6
175.49908	2.1
176.79225	1.6
268.03760	2.8
269.04593	13.3
455.67657	1.9
577.15759	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	640.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00642	1.8
50.65786	1.8
59.01372	4.8
61.98554	2.8
61.98840	35.5
66.53908	1.6
70.56051	3.9
86.39094	1.8
117.03494	7.1
123.23022	1.8
141.70326	1.7
173.02426	3.2
175.00383	5.5
178.08276	1.9
238.69005	1.7
252.65981	1.9
283.06207	5.1
293.04596	100.0
294.04962	3.9
311.05612	10.9
338.43225	1.8
363.91202	2.0
413.08890	34.7
414.09186	2.9
533.44312	2.2
577.15656	66.3
578.15912	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	642.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.9
61.15951	0.6
66.03479	0.7
70.14480	2.1
71.01395	0.9
74.02480	13.6
81.92052	0.7
82.02972	1.8
82.06610	0.9
95.91974	0.7
96.96021	9.5
109.04046	1.3
112.02831	0.7
112.04031	0.6
115.08781	15.1
116.07179	4.8
118.87233	0.5
120.88046	0.6
122.09800	0.8
123.03236	0.7
125.02509	1.0
125.07200	2.1
126.05611	2.1
126.09245	2.4
127.05149	9.7
127.08757	0.9
128.03537	5.4
129.10341	0.8
130.08778	3.1
136.06709	0.6
137.07233	0.7
139.07623	0.9
139.08769	1.6
140.07162	1.2
141.06699	1.9
141.10315	1.3
143.11908	11.2
143.12955	0.4
144.11391	1.2
153.10359	2.0
154.09828	1.2
155.08279	2.0
155.11971	1.1
158.13023	0.7
165.05426	1.0
165.10350	7.8
166.08742	2.4
169.09872	2.8
179.11954	0.7
181.06332	0.6
182.13016	1.7
183.11377	2.2
187.10843	3.8
196.14542	1.0
196.18170	0.7
197.12975	4.5
208.10915	23.1
208.14333	0.9
209.09357	2.6
210.16115	1.1
212.17709	1.8
223.14581	1.1
225.17181	0.8
226.11995	13.1
226.15637	2.3
236.17673	1.2
237.13431	0.6
240.17227	1.6
241.11971	7.9
243.18390	0.7
244.13049	1.1
253.16710	1.7
257.19916	0.8
271.21371	10.7
272.21890	0.8
281.19876	4.4
297.19080	0.8
307.17834	3.9
308.18164	0.6
315.20389	1.1
325.18579	1.4
343.19803	3.2
354.21603	0.8
370.28351	5.2
382.24789	0.9
406.28290	1.1
414.27310	1.9
426.23627	0.8
426.56097	0.7
481.31699	1.0
523.35797	1.2
525.30426	1.0
545.22736	0.9
567.35565	1.3
580.38031	0.8
606.36090	3.9
607.36542	0.7
624.37274	13.9
625.37451	1.6
642.38330	100.0
643.38654	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	643.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01392	2.3
61.59199	0.2
66.03606	0.2
69.03452	0.2
69.35612	0.7
69.36050	0.7
71.01395	1.8
73.02954	0.5
74.02480	0.2
79.95748	2.7
83.01397	0.3
83.92470	0.2
85.02943	0.4
89.02464	0.6
90.89729	0.2
96.96025	100.0
97.93172	0.3
98.22552	0.2
99.00894	0.3
99.04549	1.2
101.02470	1.5
113.02459	0.6
113.92645	0.2
114.93433	0.7
118.96660	0.7
119.03513	0.4
125.02466	1.4
128.03566	0.3
130.08759	0.2
132.98270	0.2
134.52890	0.2
151.07655	0.2
160.97554	0.2
161.04649	0.3
166.18915	0.2
179.05740	0.3
179.10796	1.1
203.10846	0.4
210.99243	0.6
217.00264	0.6
221.06749	0.2
221.11829	0.5
241.01167	0.3
259.01266	0.5
263.35968	0.2
277.02386	0.3
319.08908	0.3
323.74146	0.2
362.45923	0.2
383.17288	0.4
401.18170	1.0
421.12009	0.4
439.12909	0.3
443.19171	0.4
481.13947	1.7
499.15024	0.8
545.22467	3.5
546.22748	0.4
556.75031	0.2
568.17023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3318
Annotation	Ervafoline
Peak:m/z	Relative Intensity
57.03465	8.1
59.01385	13.4
61.98831	14.4
69.22809	24.3
70.02985	7.9
71.01398	11.2
74.02495	4.4
79.79031	2.9
79.95776	2.6
80.96535	10.8
82.03013	9.1
85.04118	3.0
87.05663	8.3
89.02462	4.8
96.96052	12.2
99.04581	4.9
100.07719	3.0
101.02446	4.9
109.02971	2.7
110.02478	4.0
112.04058	5.7
113.03640	2.8
113.07294	7.7
116.92884	8.1
124.04067	26.1
125.02513	7.8
126.81018	2.9
127.05193	9.8
128.03555	31.0
129.06776	12.2
129.10364	3.0
130.08763	32.0
135.04570	4.3
140.08328	4.0
141.06754	11.4
143.11879	13.4
151.08830	5.6
153.01993	6.6
153.10448	4.4
158.09425	5.4
161.02533	5.0
165.10378	4.7
167.04652	24.3
169.09734	4.2
182.09392	6.9
185.05760	10.3
186.12566	5.4
187.10930	5.6
197.12993	7.8
198.99855	2.7
236.14253	2.9
238.15709	4.1
239.15308	4.3
254.15224	13.5
281.16364	9.6
298.14081	25.1
299.17435	6.3
342.16650	4.4
372.09631	3.7
381.46039	2.9
424.45227	3.2
454.37640	3.0
468.21121	7.1
480.19229	3.3
596.31287	6.7
599.30688	34.6
600.30731	3.3
625.32806	5.6
643.33545	100.0
644.34271	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41847	1.1
57.03458	67.9
59.01387	64.8
61.98840	8.3
71.01395	26.0
72.99323	2.1
73.02959	4.8
81.03467	1.4
83.01414	2.6
83.05035	1.2
85.02963	8.4
87.00858	1.5
89.02458	24.0
95.01401	2.2
95.05011	1.5
95.66309	1.0
98.21801	2.8
99.00910	1.2
99.04533	45.0
101.02456	29.4
113.02462	17.9
113.15022	1.1
119.03518	11.2
121.06637	1.4
123.04591	2.0
125.02467	24.0
128.98918	1.4
131.03554	2.3
135.04572	3.2
136.05318	46.4
137.05821	1.2
143.03517	4.6
149.06094	6.5
149.09747	8.5
150.06870	2.1
161.02501	2.9
161.04607	7.6
162.06813	1.2
164.08485	3.7
165.09224	28.6
177.01720	1.2
179.05646	8.3
179.07100	2.3
236.98169	1.1
335.80536	1.4
411.23889	2.4
463.34344	1.2
466.33078	3.2
480.34787	2.3
481.28168	17.9
481.35281	100.0
482.28506	3.3
482.35742	10.5
499.29227	46.1
500.29474	4.9
541.29596	2.7
611.12415	1.2
643.32312	9.5
644.33508	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	643.3677
Annotation	Accedinisine
Peak:m/z	Relative Intensity
57.03463	3.3
59.01377	11.7
61.98833	100.0
62.57918	1.8
63.04309	2.2
68.99561	3.3
69.29532	4.7
69.29939	13.4
70.02964	2.7
71.01383	6.0
74.02478	19.8
85.02950	3.4
87.05653	8.2
88.98807	2.4
89.02435	2.4
96.00914	15.1
96.96035	6.1
97.04111	2.9
98.02489	4.6
98.21822	5.2
99.04523	4.8
99.92640	1.8
101.02441	5.1
110.02436	3.1
111.00905	4.7
113.02421	4.1
113.03575	8.6
116.92860	3.3
124.04094	3.0
125.02435	5.5
128.03540	8.1
129.10336	7.1
130.08736	9.4
130.63490	2.0
135.04538	3.3
141.06711	1.8
143.11905	8.7
153.10341	3.7
161.02405	5.7
161.04529	3.2
165.10332	5.6
166.08727	6.1
169.09810	2.6
169.13486	3.5
180.10321	2.9
183.11374	8.1
185.23558	2.0
187.10857	3.4
200.14075	8.8
207.15126	2.3
209.09317	5.6
225.16045	2.4
226.11922	2.3
237.12372	2.0
242.18872	2.5
245.14073	2.1
254.15059	2.7
295.21341	3.2
327.23996	3.2
386.91565	2.1
405.59509	1.9
502.81073	2.3
520.31366	3.2
528.34222	2.7
564.30328	14.6
581.33282	4.8
599.34607	5.1
608.33392	17.5
625.35614	18.7
626.35876	5.6
643.37152	51.9
644.37622	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	645.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03040	13.9
96.96028	14.2
98.46967	3.9
114.15835	3.9
117.03374	3.8
128.03537	4.5
139.08797	4.3
200.68451	3.8
295.05927	5.8
296.06747	6.5
297.07581	13.9
311.05603	6.2
328.06009	5.7
347.05804	4.2
353.06653	36.9
375.04813	58.8
383.07697	29.7
393.04507	13.1
405.05002	13.2
413.08463	6.7
443.10141	6.0
465.07925	7.5
495.08908	13.6
513.08801	6.7
563.14117	100.0
564.14105	11.2
585.11688	38.7
586.11249	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	645.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01380	3.4
59.91946	0.5
69.13700	5.8
70.66879	0.5
71.01378	3.1
72.99296	1.1
73.04066	0.6
74.02471	0.6
79.95748	0.9
88.04073	1.1
89.02451	0.8
96.00891	1.0
96.96017	26.4
98.21799	1.2
98.95599	16.0
98.96423	2.3
99.00880	0.8
99.04525	2.4
99.92590	26.6
100.92612	1.7
100.93337	1.3
101.02445	1.4
113.02454	0.7
114.94930	1.3
115.92088	25.8
116.92869	100.0
117.92873	4.1
117.93620	0.8
125.02464	2.0
126.94969	0.9
128.03586	1.5
129.10373	0.7
130.08751	1.5
135.04512	0.6
138.98566	0.6
139.95709	0.9
141.93605	3.5
142.94408	0.7
145.47531	0.6
154.06160	0.7
156.96059	1.0
161.02461	0.7
161.04532	1.0
168.96033	0.6
169.93094	0.6
182.97470	3.6
183.94693	1.8
184.95497	0.8
185.99738	0.6
191.10652	0.6
210.47926	0.7
212.94951	0.6
218.04491	0.6
226.96561	5.4
227.96840	1.0
239.90001	0.6
243.96791	1.0
244.97685	1.7
286.39871	0.6
300.19254	1.3
305.04950	0.7
307.68124	0.6
311.99646	1.3
344.22250	0.7
353.06628	1.0
368.99374	0.9
375.04727	1.5
383.07953	0.7
394.19980	0.9
461.05679	1.5
465.08511	3.8
466.08554	0.9
479.06616	0.8
483.09415	0.6
497.07660	0.7
545.22247	1.0
547.22931	1.5
563.14117	2.5
565.13806	1.4
585.11224	0.9
591.11688	1.3
609.12854	26.3
610.12933	5.6
627.30585	1.2
636.68420	0.6
645.14984	12.9
645.30969	2.0
645.83264	1.0
646.14948	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	645.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
74.59220	0.2
83.05032	1.1
84.87222	0.2
89.03970	3.5
96.96038	0.3
106.04243	0.7
117.03471	10.6
118.03824	0.4
121.02948	0.3
121.68349	0.3
133.19632	0.2
134.03751	100.0
135.04077	3.3
137.02452	0.5
149.06085	6.0
166.80896	0.2
178.02708	1.1
193.05067	98.3
194.05399	4.7
225.16125	1.0
331.15887	0.3
427.16086	0.3
433.31705	0.6
444.80573	0.3
451.32886	16.2
452.33249	2.0
474.70068	0.3
573.67108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.4
62.65353	1.2
69.09547	8.3
69.09972	3.3
71.10083	1.4
71.82801	1.3
72.00920	4.0
73.04075	36.4
75.00713	1.4
78.95911	3.6
84.00932	2.5
87.89583	1.2
95.02455	1.3
99.02030	2.9
129.10419	2.2
130.08757	2.1
141.10350	1.6
143.11897	2.9
147.04529	12.0
151.08794	3.1
152.07204	2.3
152.99561	1.3
154.13307	1.5
162.52100	1.4
164.07167	26.9
165.07489	1.4
165.10370	7.0
168.11438	7.2
169.09857	6.1
177.10376	7.6
186.12489	45.3
186.86665	2.1
187.12857	2.1
203.08319	3.2
221.09367	4.6
225.13603	5.9
226.21805	8.6
231.30556	1.4
243.14664	10.7
256.24118	1.4
256.55542	1.4
262.70364	1.2
266.21350	2.8
283.23944	43.7
283.27075	2.2
284.24310	3.4
290.18707	6.2
307.04880	1.6
312.17191	2.3
347.20789	9.1
378.31366	2.6
380.75467	1.3
436.31616	1.7
469.62079	1.3
557.40735	1.7
572.16302	2.5
573.15515	1.6
601.39758	100.0
602.39990	20.4
617.70184	1.5
645.42352	38.5
646.42737	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	646.269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41956	0.8
59.01376	2.1
60.09526	1.0
61.90645	0.9
70.02982	6.1
71.01373	1.5
73.04080	19.4
74.02449	0.9
82.02959	1.1
82.06620	0.9
82.32201	0.9
83.02495	1.0
85.04091	1.5
87.05648	1.1
88.04060	1.1
96.00925	50.5
96.96014	3.0
97.04054	1.4
98.02486	13.1
99.02013	3.6
99.05656	6.4
101.02431	1.3
109.04070	1.0
110.02469	4.8
111.01994	2.0
113.02461	1.2
113.03584	8.1
114.01997	8.0
123.05672	1.3
123.09203	1.0
124.04107	2.2
125.02448	3.6
125.03431	1.2
127.05157	1.7
128.03516	1.9
128.04674	1.1
129.10313	1.2
135.04544	1.7
139.08815	1.4
145.02966	1.1
149.03593	1.8
153.03107	2.0
153.10345	2.6
156.04187	1.5
161.02522	1.1
166.06216	1.8
166.07489	1.2
166.08730	2.4
167.04657	1.7
169.09859	1.8
170.05731	86.7
171.05962	1.2
179.03540	1.3
179.11826	1.1
181.06294	5.3
181.09825	9.5
183.11388	7.1
184.07349	1.3
188.06792	8.8
196.14507	1.2
210.05260	4.0
224.06761	2.6
228.89052	1.2
233.13074	1.1
238.11967	2.2
240.13623	1.2
241.11833	1.2
270.14532	1.6
284.15872	1.5
298.13971	2.4
303.66785	1.1
310.14081	1.6
333.15649	4.7
342.69586	1.0
366.16721	2.0
377.14441	3.1
391.16345	1.3
409.17261	29.5
410.17603	2.8
421.17532	2.3
439.18353	100.0
440.18591	8.3
456.21082	1.1
457.19876	4.5
474.21622	1.2
531.57257	1.2
628.25922	3.9
646.27307	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	650.152
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84402	75.6
84.98432	83.0
89.00022	77.0
91.69293	73.4
139.74615	100.0
141.25647	96.2
234.66087	86.1
270.55469	85.9
300.94946	90.1
376.16089	86.1
602.94952	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01383	5.2
71.01392	4.6
71.31865	0.7
73.02996	0.6
82.08204	0.5
83.01397	0.9
85.02962	1.7
89.02453	4.6
93.03472	2.2
96.95998	0.7
101.02461	2.4
109.02955	1.0
113.02473	2.5
113.03606	1.0
113.86277	0.5
117.03482	18.0
118.03825	0.7
119.03616	1.3
119.05044	28.7
120.05359	1.4
123.04628	0.6
125.02477	1.0
128.03580	1.0
130.06305	0.6
133.03001	0.9
133.06596	0.8
135.04555	0.9
143.05025	1.9
144.07805	0.7
145.02972	100.0
146.03276	3.7
147.04581	0.7
159.04546	1.3
161.04622	1.0
161.06119	1.8
163.04033	24.7
164.04353	0.9
171.04581	0.6
179.05602	1.5
187.04028	7.7
205.05086	2.1
211.07677	5.9
223.07655	16.4
237.09207	13.3
238.09886	1.3
239.10789	2.2
253.08698	2.9
265.06686	0.7
265.08832	2.3
283.09790	4.4
309.07751	4.9
310.34326	0.6
325.09280	34.6
326.09686	3.3
327.08777	15.9
328.09076	1.4
373.07849	1.1
489.16168	0.6
501.32986	0.6
607.25549	1.2
633.26923	0.6
651.28699	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	651.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45381	1.0
57.03440	3.2
59.01129	1.3
59.01383	17.2
59.80545	1.2
61.98836	1.6
69.03409	1.0
69.16062	6.8
69.16496	4.1
71.01381	15.6
73.02960	2.5
79.54232	1.0
83.01410	1.3
85.02957	5.2
87.00864	1.2
89.02455	7.2
95.01383	1.7
95.05019	1.2
97.02935	1.2
97.06606	1.7
101.02455	10.1
113.02466	7.0
119.03482	3.4
125.02472	2.4
127.11380	1.6
133.02975	1.7
135.04565	1.5
155.10768	4.6
161.02460	4.9
161.04533	1.6
169.69345	1.0
171.10278	7.9
172.85236	1.1
179.05533	1.4
179.14461	1.2
209.11891	1.9
211.13400	9.9
212.13599	1.3
217.64716	1.3
221.11816	1.3
229.14468	25.5
230.14716	1.5
239.12845	1.6
291.19717	6.7
291.22501	1.2
309.20697	4.8
327.21884	6.9
373.19098	1.2
391.19781	1.9
471.26065	8.6
472.26270	1.4
489.27087	100.0
490.27429	14.8
651.32837	1.3
670.06616	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	651.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67993	0.8
55.01889	1.2
57.03453	76.4
58.00600	1.1
58.03774	0.9
59.01385	68.9
60.01699	1.0
61.98834	4.4
71.01390	18.0
71.01980	0.8
73.02953	5.7
81.03468	2.4
83.01389	4.1
85.02962	11.1
87.00867	1.4
89.02467	2.6
95.01401	2.3
97.02983	1.0
98.21747	3.6
99.00887	1.9
99.04529	100.0
100.04863	3.0
101.02454	28.8
111.00914	1.9
113.01740	1.0
113.02460	10.4
116.92840	0.9
117.03463	0.8
119.03529	1.1
125.02459	41.7
133.02945	2.0
135.04543	1.8
143.03519	5.6
145.95058	0.8
153.67793	1.0
159.03024	1.4
161.02466	2.1
161.04576	3.4
163.04028	1.3
165.43446	0.9
173.19655	0.8
175.04044	1.1
179.03410	1.6
230.01489	1.4
282.20630	1.1
299.25891	1.8
301.30615	0.8
345.26443	1.3
345.30130	9.3
447.75430	0.8
489.34363	50.1
490.34604	7.6
507.35431	53.7
508.35828	7.0
528.12421	0.9
549.36542	3.7
589.39777	1.1
651.39825	20.6
652.39508	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	651.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80682	1.1
53.93979	1.4
57.03181	1.7
57.03452	24.4
59.01388	19.0
61.53748	1.3
61.98817	3.5
69.32077	1.4
69.35928	7.7
71.01389	8.4
73.02950	3.5
85.02972	4.8
94.76809	1.1
98.22485	1.9
99.04530	23.2
101.02431	11.7
113.02442	3.2
117.03494	1.4
125.02464	10.4
132.02176	1.8
133.02968	34.2
135.04527	19.7
160.01514	1.4
161.02452	100.0
162.02750	7.0
177.05574	1.5
179.02066	2.1
179.03511	27.0
203.03493	4.0
221.04517	2.1
327.21796	4.4
329.19269	1.4
345.30286	2.2
489.27164	1.9
489.34317	14.6
490.34476	1.6
507.35495	21.1
508.35651	4.0
651.30103	8.6
651.39661	4.8
652.31042	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	651.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
57.03453	100.0
59.01385	86.0
61.98838	12.6
71.01396	27.1
72.99296	2.8
73.02956	8.8
81.03448	4.1
82.08393	2.5
83.01395	6.6
85.02960	17.3
89.02448	5.4
95.01420	2.3
96.96020	3.3
97.41515	2.0
97.51648	2.3
98.22614	4.4
99.00949	2.7
99.04529	96.3
101.02458	42.3
113.02441	15.7
116.92869	2.5
117.03505	3.9
119.05070	2.4
125.02467	43.5
135.04517	3.2
143.03516	8.1
145.02957	8.6
161.02480	4.1
161.04639	5.2
163.04048	2.5
175.04012	3.0
178.97026	2.1
191.43150	2.8
193.05040	3.3
299.25946	3.8
345.26398	4.2
345.30142	8.3
393.52386	2.6
489.34329	52.4
490.34683	6.1
507.35431	97.6
508.35550	11.9
549.36584	3.8
614.51538	2.4
642.34058	2.3
651.39661	34.4
652.39581	5.9
668.52679	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51354	2.6
56.89759	2.7
59.01373	8.3
60.99318	4.8
69.04977	4.9
69.05322	33.8
71.01381	7.5
73.02969	2.8
82.90870	2.8
88.98815	16.9
89.02479	4.1
98.21758	4.2
103.01425	3.6
103.81881	2.6
113.02438	5.8
116.92830	5.0
117.03512	2.8
119.05029	3.5
125.02440	3.6
128.03497	3.9
145.05164	2.6
184.10924	4.3
244.19930	3.1
290.69803	2.9
297.07748	10.5
325.07281	5.3
353.06601	37.8
368.95752	3.6
370.83719	3.5
375.07559	3.7
383.07706	23.6
443.09875	4.9
444.11163	3.0
473.11053	6.4
509.22351	3.4
563.14063	100.0
564.14294	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	653.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51354	2.6
56.89759	2.7
59.01373	8.3
60.99318	4.8
69.04977	4.9
69.05322	33.8
71.01381	7.5
73.02969	2.8
82.90870	2.8
88.98815	16.9
89.02479	4.1
98.21758	4.2
103.01425	3.6
103.81881	2.6
113.02438	5.8
116.92830	5.0
117.03512	2.8
119.05029	3.5
125.02440	3.6
128.03497	3.9
145.05164	2.6
184.10924	4.3
244.19930	3.1
290.69803	2.9
297.07748	10.5
325.07281	5.3
353.06601	37.8
368.95752	3.6
370.83719	3.5
375.07559	3.7
383.07706	23.6
443.09875	4.9
444.11163	3.0
473.11053	6.4
509.22351	3.4
563.14063	100.0
564.14294	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	653.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29531	0.6
70.94808	1.7
78.95912	100.0
84.76855	0.7
94.29752	0.7
104.72636	0.6
134.37050	0.8
149.00122	3.9
198.49261	0.7
205.16016	2.6
220.80663	0.7
285.12744	3.4
311.54904	0.7
355.16882	2.3
385.18042	1.2
447.13626	5.0
653.30237	71.9
653.39917	2.5
654.30585	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
58.00602	2.0
59.01380	37.6
69.03458	2.5
69.79426	1.0
70.02336	3.8
71.01382	36.8
71.67447	1.2
72.99294	3.0
73.02951	5.1
75.00896	1.0
83.01389	4.4
85.02955	7.8
87.00892	8.3
89.02447	30.4
91.04016	1.0
95.01384	2.8
95.62919	1.0
96.96001	0.9
97.02959	5.8
98.21791	1.3
99.00872	3.0
101.02447	30.9
111.04514	1.1
113.02464	16.6
119.03503	10.3
124.01702	1.1
125.02457	10.3
131.03488	1.5
133.05077	1.2
143.03477	5.5
161.04570	7.8
162.83932	1.5
167.03496	1.0
179.05592	7.8
217.07050	1.6
221.06645	2.7
235.08191	14.1
253.09225	4.3
255.23299	100.0
256.23642	8.4
263.07755	1.5
287.07672	3.0
305.08752	3.6
323.09918	2.2
397.13513	85.5
398.13812	6.7
415.14609	28.7
416.14725	1.9
439.34637	1.0
452.27087	1.1
595.28839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85175	1.6
55.01891	2.3
55.43634	1.5
58.00596	2.4
59.01387	39.5
61.98813	1.8
62.63277	1.7
66.54106	1.9
66.60740	1.6
68.85962	1.7
71.01387	35.1
72.26933	1.5
72.99339	3.5
73.02943	5.2
78.95918	4.9
83.01402	5.0
85.02949	7.0
87.00895	9.1
89.01945	3.1
89.02456	33.3
95.01430	1.9
97.02964	5.3
98.86256	1.6
99.04543	1.8
101.02453	31.4
113.02472	14.8
119.03535	10.5
125.02489	15.5
143.03548	6.0
147.09764	1.6
149.04539	2.0
152.99626	3.8
161.04602	6.3
179.05608	6.1
185.04498	2.3
221.06624	3.7
235.08246	12.4
253.09453	4.1
255.23312	100.0
256.23688	7.2
262.15024	2.0
287.07748	3.3
305.08841	3.3
323.09937	1.8
379.12445	1.9
389.00171	1.7
397.13568	82.3
398.13919	7.3
415.14612	36.1
416.14523	1.9
595.28711	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	653.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53918	11.2
53.64701	9.4
70.62770	27.1
112.15829	9.0
237.75597	11.2
272.36169	10.1
363.21188	11.4
391.72687	12.6
646.15100	12.4
649.58466	12.8
653.44177	100.0
654.44354	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24603	0.2
57.03460	0.2
59.01371	1.1
61.98835	100.0
62.98559	0.2
68.73473	0.2
71.01392	0.5
71.33353	0.3
79.86649	0.2
85.03007	0.2
89.02462	0.4
96.00973	0.3
96.96021	0.2
99.04539	0.2
101.02434	0.4
113.02491	0.3
119.03571	0.2
119.05075	0.2
125.02471	0.4
127.05170	0.3
130.08751	0.3
133.02948	0.2
135.04543	0.2
145.03017	0.2
161.02492	0.5
196.14561	0.2
216.25349	0.2
223.13498	0.7
227.73393	0.2
267.12323	1.4
281.19955	0.2
400.44940	0.2
429.17743	1.1
627.28162	0.2
655.38037	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	654.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01381	1.0
61.98838	100.0
70.48044	0.4
71.01389	0.8
73.02968	0.3
74.78539	0.1
85.02988	0.3
89.02465	0.4
96.96061	0.1
99.04567	0.4
101.02498	0.7
113.02491	0.5
113.07254	0.2
119.03552	0.4
123.04577	0.3
125.02512	0.4
128.03593	0.6
135.04602	0.2
146.04666	0.2
161.04613	0.5
167.24455	0.1
179.05681	0.4
193.05205	0.2
209.04782	0.2
223.13383	0.3
267.12405	0.7
324.38870	0.2
429.17990	0.5
433.15155	0.2
473.66336	0.2
543.81866	0.2
654.35156	0.4
655.28119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60098	0.2
51.63267	0.2
51.85801	0.2
57.03455	1.0
59.01385	2.2
61.83806	0.2
61.98833	100.0
65.70771	0.2
71.01396	1.5
71.32831	0.2
73.02959	0.8
83.01417	0.3
85.02984	0.3
88.98834	0.2
89.02453	1.2
96.96043	0.3
99.04554	0.7
101.02464	0.8
112.06188	0.2
113.02466	0.9
113.03577	0.2
113.07262	0.5
115.00444	0.2
119.03519	0.6
123.04586	0.5
125.02496	0.6
128.03575	0.2
133.02982	0.3
135.04536	0.2
143.03517	0.2
150.05641	0.2
151.04057	0.3
155.83154	0.2
160.97435	0.2
161.04497	0.9
179.05676	0.8
185.09377	0.3
205.05083	0.2
221.06911	0.2
223.13478	0.2
267.12537	0.5
429.17651	0.4
510.23599	0.2
547.19000	0.2
610.36212	0.2
654.35626	0.5
655.28101	0.5
655.37787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80442	2.5
59.01384	100.0
69.02307	17.6
69.02728	11.6
96.99305	4.5
97.02959	10.9
98.21777	3.9
108.70657	2.4
141.01703	54.5
142.02045	2.9
155.54689	2.4
275.06055	5.2
281.09726	2.8
494.10672	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	655.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44539	3.0
58.72897	2.3
59.01382	100.0
61.98818	3.4
64.08652	2.6
70.05238	11.9
72.36961	2.5
74.24201	2.8
96.99328	5.7
97.02960	5.3
141.01711	59.9
142.09682	2.9
182.12660	2.5
203.36362	2.8
206.77148	2.8
355.33173	2.9
434.32678	2.9
535.27356	4.0
540.23956	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	655.3704
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03450	2.7
59.01379	3.1
61.98848	7.9
61.99136	1.2
69.09984	9.2
69.10406	4.7
71.01372	1.7
74.31257	1.6
85.02970	1.5
89.02478	1.5
99.04548	2.7
101.02460	1.6
113.02451	2.3
135.04559	2.6
136.05307	47.8
137.05734	1.8
149.06091	9.9
150.06865	6.2
151.30672	1.4
161.02490	2.0
162.06906	3.7
163.07660	2.2
164.08444	5.5
165.09224	26.2
165.10512	2.5
171.10245	1.8
204.59393	1.7
292.62967	1.6
327.21774	9.6
432.28683	4.7
447.31165	18.0
448.31799	4.7
449.32861	7.2
475.30856	3.1
492.30838	3.6
493.31519	27.0
494.32077	4.2
510.92941	1.7
655.37073	100.0
656.37354	16.4
657.47308	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	656.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.5
69.29255	13.9
71.01388	11.9
88.10484	1.6
89.02463	17.2
95.01357	2.1
99.00092	1.5
101.02467	6.5
104.56383	1.8
106.27743	1.7
107.17543	1.6
108.04554	2.2
113.02468	8.4
119.03516	6.3
123.04517	2.2
125.02467	100.0
126.02827	2.2
133.02983	13.4
134.02437	2.8
135.04556	8.3
146.13689	1.7
150.63625	1.7
152.03532	15.5
153.02287	1.9
161.02473	50.7
161.04526	3.5
179.03552	9.8
179.05725	2.1
203.03458	3.0
265.40607	1.7
314.08911	22.5
341.08801	22.8
645.20685	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	656.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.2
59.47638	0.6
60.53871	0.5
67.61346	0.5
71.01382	2.0
71.32124	0.7
85.02967	1.0
88.04063	2.5
89.02445	1.5
109.02934	0.7
110.29534	0.5
113.02460	0.6
114.05631	4.0
116.07156	0.7
118.98102	1.8
127.05161	0.5
132.02197	1.0
133.02974	21.7
134.03629	0.6
135.04544	9.7
138.14540	0.5
144.07819	0.6
149.06158	1.0
161.02463	100.0
162.02777	4.5
169.09863	1.1
177.05562	1.3
177.31746	0.4
179.03517	23.9
180.03896	0.9
185.06056	0.5
193.46771	0.5
199.07765	0.7
199.10954	0.8
203.03535	2.2
210.05704	0.6
221.04597	1.0
221.34016	0.5
226.08824	0.6
252.06685	1.5
267.79578	0.4
270.07574	1.1
281.06793	1.5
314.17255	2.3
314.20984	1.9
315.13318	0.6
341.08795	43.4
342.09201	4.0
657.35339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.304
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32465	1.0
72.00917	1.9
73.04067	2.4
73.52769	0.9
74.02093	0.8
74.02477	1.2
74.45840	0.8
85.35658	0.8
86.65909	0.7
92.13457	1.0
96.00922	1.9
113.03580	1.6
115.08765	4.2
116.07197	2.0
117.03444	0.9
119.05009	2.0
125.07227	7.2
126.07578	1.0
127.05135	1.1
127.08794	5.6
128.03575	2.0
129.10362	3.8
130.08752	81.0
131.09100	2.3
143.11911	28.2
145.02960	3.9
155.08281	22.4
161.02461	1.9
163.04050	1.5
169.09834	1.0
172.94835	1.0
179.11890	1.0
185.16663	1.0
208.11128	1.0
215.04018	0.9
225.09236	0.9
231.58403	0.9
242.18753	27.7
243.19060	1.9
272.17932	0.9
286.17740	100.0
287.18060	6.7
295.21442	1.2
325.09177	1.0
328.13687	1.1
330.20346	56.3
331.20697	4.4
341.08749	1.2
451.12595	1.1
502.84192	0.9
550.32794	1.0
610.00629	1.2
638.35327	1.2
656.36444	6.0
657.33746	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	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08163	1.6
57.03445	2.0
59.01372	6.6
59.01628	1.6
61.98831	4.4
66.03506	1.4
66.62000	1.6
70.02987	1.6
71.01381	3.4
80.87677	1.5
82.03014	2.1
83.01410	1.6
84.08170	2.0
85.02962	1.9
87.00845	1.9
87.05650	23.2
89.02449	2.4
96.00919	10.6
96.96027	4.4
98.02520	7.5
98.22543	6.5
99.04578	1.8
101.02442	1.9
106.08167	1.8
109.04086	4.2
110.02501	11.0
111.05679	1.6
112.74266	1.6
113.02480	1.9
113.03566	1.7
121.04076	4.6
124.04076	2.2
125.02470	2.9
126.90427	1.9
127.05133	1.9
129.06750	12.0
129.10393	2.3
130.08757	100.0
131.09160	3.0
134.03828	1.8
135.04527	2.7
153.03079	9.8
155.04701	2.8
155.08382	2.1
161.02440	3.3
165.03024	2.8
167.07166	3.0
169.01436	3.3
169.09877	2.5
171.04179	4.3
179.03508	2.0
183.15077	11.3
185.16647	6.8
191.11963	1.8
191.22411	1.6
194.11986	2.0
200.14098	1.6
206.04112	1.7
209.13008	2.3
211.14615	7.5
214.86777	1.8
229.15659	11.2
252.39433	1.5
258.13333	1.6
296.23520	5.2
298.24832	2.5
342.23911	1.9
355.39478	1.7
435.26157	3.5
479.25183	45.2
480.25433	4.5
491.25201	33.5
492.25775	4.1
509.26230	36.9
510.26431	7.3
578.31390	2.4
595.34436	3.6
609.32465	10.6
639.33612	49.4
640.34216	10.4
657.34790	12.1
658.35492	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	657.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01387	2.0
60.30464	0.8
61.43119	0.7
61.98835	2.2
64.90049	0.7
70.36405	1.1
70.36758	2.8
71.01018	0.7
71.01389	1.5
78.89972	0.7
82.81728	0.7
88.65019	0.9
98.21829	1.0
99.04534	1.8
117.63837	0.8
121.06599	1.5
125.02390	1.0
130.19147	0.7
135.04527	2.7
136.05312	41.1
137.05688	1.5
149.06096	8.5
150.06865	4.0
162.06860	3.5
163.07680	1.5
164.08437	4.3
165.09222	20.6
166.09601	1.3
200.62105	0.9
258.01169	0.9
265.21814	1.2
301.11874	1.0
327.25839	1.0
329.23306	7.6
431.31824	1.7
433.33411	0.9
434.30273	4.0
448.32074	1.4
449.32782	18.0
450.33173	2.6
476.31412	1.7
477.32516	3.5
494.32510	3.6
495.33234	34.4
496.33545	4.8
624.27887	0.9
657.38586	100.0
658.38977	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	658.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41441	8.6
70.90249	1.0
73.04076	1.7
74.02477	8.2
84.00917	3.1
84.04557	3.5
87.05640	9.6
88.04046	4.1
93.45901	1.0
96.96024	8.5
97.04082	2.2
98.02487	2.0
98.22469	2.5
99.05621	1.8
101.07227	4.6
102.05621	16.1
109.04064	1.3
110.02479	1.7
111.05655	1.8
113.03609	2.1
113.07149	1.3
115.08762	9.7
120.55956	1.0
124.04014	1.2
127.05132	8.4
128.03552	73.5
129.03886	1.8
129.10355	9.7
133.02991	2.0
135.04530	1.4
137.07219	3.9
139.08821	1.8
141.06732	7.8
144.07782	2.5
144.19447	1.2
145.06203	3.9
146.04607	13.1
151.08778	4.4
154.09895	7.3
155.08199	1.6
159.07774	4.1
168.11411	5.2
169.09843	8.4
172.10947	5.4
185.05687	4.9
186.12491	23.0
187.10852	1.2
187.12787	1.2
198.08911	1.7
208.10927	1.3
216.09982	2.2
224.17723	2.1
225.13577	1.9
226.74687	1.2
230.11507	3.7
243.14629	1.6
267.18274	16.8
268.16611	1.3
271.17743	5.0
285.19327	9.2
301.15167	3.5
315.16840	2.6
338.22098	4.2
356.22940	10.1
391.10611	1.1
428.24911	2.3
467.26105	2.5
485.27310	29.2
486.27881	3.2
511.29105	2.6
529.29932	11.2
570.32831	1.6
614.31543	56.7
615.31555	9.8
640.33148	2.7
658.34180	100.0
659.34576	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	660.215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26173	0.5
65.59021	0.5
69.79258	1.1
69.79672	1.2
91.22816	0.5
94.42683	0.4
98.19550	0.4
98.22533	0.4
101.06068	0.8
128.03549	0.5
129.05598	100.0
130.05934	3.1
133.02975	1.6
135.04546	1.2
135.96979	0.4
156.06670	12.2
161.02475	7.9
179.03485	2.2
203.03505	0.5
341.08960	1.7
503.14011	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	661.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01443	3.6
69.01870	4.6
79.95743	3.6
80.66676	0.7
90.90054	0.7
96.96026	100.0
98.22544	1.6
100.40156	0.7
123.22192	0.9
225.49571	0.7
321.00519	0.9
323.26978	0.8
332.04233	0.7
342.97186	0.8
353.06659	2.2
357.21271	0.8
391.01401	1.1
409.02490	6.0
421.02432	1.7
451.03662	3.7
453.01407	1.3
511.05478	1.5
563.13995	4.7
571.07623	3.5
601.08862	3.8
619.09991	2.1
661.11017	2.9
662.11340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	38.0
58.43348	2.4
59.01385	33.1
61.98830	6.6
65.25888	2.0
69.01606	24.5
69.03487	2.2
71.01378	24.0
73.02960	6.6
80.96492	2.1
82.78085	2.0
83.01372	12.3
85.02959	5.8
87.00861	2.2
88.98862	2.2
89.02464	16.1
96.00905	2.8
96.96017	58.0
97.02964	2.3
99.04529	34.1
101.02446	27.3
113.02453	13.5
116.92820	2.4
117.03458	4.7
119.03564	5.5
119.05012	2.5
123.04557	6.9
125.02435	33.7
128.03552	3.9
130.08717	13.9
131.03479	2.3
132.02196	16.2
133.02910	2.8
134.03745	47.7
135.04556	5.9
143.03510	4.4
147.04572	3.0
149.06096	5.7
160.01668	66.0
161.02382	4.9
161.04594	31.1
175.04013	100.0
176.04695	4.8
178.02805	3.5
179.03401	2.9
179.05623	7.6
189.05482	3.0
191.07098	6.0
193.05063	78.8
194.05309	3.2
199.18073	5.2
202.02576	2.6
203.05656	5.2
207.06609	2.9
217.05078	10.4
233.06552	3.5
235.06168	21.7
241.99646	2.6
245.06618	5.7
253.74594	2.4
263.07596	5.9
297.07895	2.6
305.08878	16.0
321.31897	2.9
323.09827	41.7
323.33313	2.5
330.20386	19.2
337.09421	2.9
355.10370	40.7
356.10788	3.5
397.11386	27.4
437.14456	6.7
499.14719	18.4
524.14075	2.8
563.14166	3.5
661.31567	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17576	0.6
55.25311	0.7
56.31168	0.7
57.03178	1.3
57.03451	24.6
59.01383	14.2
68.37840	0.6
69.63446	4.2
71.01382	4.0
73.02946	1.2
81.03469	0.9
83.01376	1.1
85.02946	1.1
93.03436	0.7
96.96021	8.9
98.21903	1.1
99.00896	1.0
99.04526	17.5
101.02441	7.9
113.02464	2.0
116.92908	1.7
117.03504	0.8
121.03017	0.8
123.04588	1.0
125.02451	12.6
132.02176	1.6
133.02983	2.0
134.03755	38.1
135.04065	1.0
137.02475	5.9
139.03996	2.0
143.03522	1.4
147.04529	0.8
149.06090	14.3
160.01688	9.3
161.02399	0.8
161.04565	3.9
175.03999	15.0
176.04663	2.6
178.02736	25.6
179.03059	1.4
184.81586	0.7
191.07106	3.5
193.05061	100.0
194.05409	4.2
203.05637	2.1
217.05083	1.3
217.08678	2.3
235.06131	3.4
235.09756	2.2
305.08786	16.8
323.10275	1.5
355.10361	56.5
356.10825	6.0
384.60861	0.7
397.11169	7.5
437.14621	1.2
499.14359	1.6
517.15027	0.8
643.31769	0.8
661.19958	5.3
662.20367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80776	0.8
57.03455	39.7
59.01392	12.8
69.50762	5.7
71.01389	4.9
73.02951	3.9
78.42369	1.1
81.03468	3.4
83.01409	1.4
96.96008	5.9
99.04533	32.8
99.92622	1.9
101.02454	14.2
111.73721	0.9
113.02493	4.5
115.92101	1.1
116.92892	5.7
120.71024	0.8
123.04543	5.6
125.02457	37.5
132.02158	6.1
133.02948	1.9
134.03755	52.6
135.04376	1.4
137.02426	1.6
139.04028	1.6
143.03491	2.8
147.04541	3.7
148.05280	1.9
149.06097	17.1
160.01675	37.6
161.02274	3.7
161.04584	6.2
174.03156	1.0
175.04018	61.6
176.04788	10.8
177.01973	1.7
178.02724	14.4
179.03435	1.6
191.07147	9.7
193.05075	100.0
194.05409	5.7
203.05566	2.2
206.73203	0.9
207.06628	1.7
217.05086	7.6
220.03909	1.7
235.06140	27.6
236.06439	1.1
265.07205	1.9
295.08267	1.4
296.23990	1.1
305.08789	7.2
323.09836	5.1
336.43375	1.0
337.09344	2.7
355.10367	29.1
356.10706	2.2
361.08893	1.0
377.12448	1.8
397.11417	29.9
398.11703	3.6
437.14508	10.5
438.15073	1.8
439.12628	1.3
499.14508	6.8
625.11407	1.5
652.86023	1.5
661.20160	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	661.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24864	2.0
55.01862	3.6
57.03435	4.1
59.01389	18.2
59.46599	2.2
61.98816	5.5
69.80377	10.6
71.01387	18.9
73.02901	2.8
73.04059	6.5
74.02473	3.0
82.00496	2.2
82.95386	3.0
83.01379	4.8
83.71811	2.3
85.02932	3.6
87.00898	2.4
88.04046	11.3
89.02446	6.8
96.00918	10.7
96.96008	10.7
98.02480	3.9
99.00927	2.5
101.02452	19.8
113.02422	5.1
113.03587	6.3
115.00383	10.3
117.03455	5.0
125.02477	6.3
125.03524	2.6
127.05113	4.1
128.03540	10.8
129.10342	8.7
130.08727	9.1
132.02158	12.8
132.03041	5.8
133.02928	9.2
134.03737	50.2
135.04524	10.5
136.04048	4.2
137.02422	2.7
139.05354	2.5
143.57874	2.4
147.04509	7.8
148.05223	3.3
149.06055	9.8
155.08307	4.7
160.01672	68.6
160.06439	13.0
161.02452	21.5
161.04611	3.1
161.07210	68.9
162.76700	2.4
169.09886	2.6
175.04013	100.0
175.08772	21.5
176.04823	18.4
177.01910	3.6
177.05473	2.7
178.02675	8.8
179.03467	8.5
187.05472	2.9
189.06712	66.5
191.07130	21.9
192.07526	2.7
193.05067	51.5
194.05421	3.6
203.08310	20.6
203.11833	6.8
207.06593	6.4
207.14883	4.2
207.41710	2.4
217.05127	2.6
220.03711	4.4
224.17653	4.3
225.16005	4.9
227.04970	5.5
229.09792	13.4
235.06154	39.0
236.06500	3.6
241.09787	3.2
242.18697	5.6
265.07150	13.3
275.10358	3.9
277.12164	3.1
281.19940	4.7
287.10416	2.8
295.08185	21.7
297.19247	3.0
299.20767	4.3
305.11429	15.4
323.07657	6.7
337.09323	6.2
355.10339	7.5
359.16727	2.6
467.16641	15.5
471.15021	7.0
485.17804	59.5
486.18289	6.2
510.24097	3.3
511.22281	9.3
517.13550	5.9
527.26569	8.7
528.24927	7.8
546.25757	16.9
559.14569	3.8
617.29053	10.5
626.24805	11.5
643.27539	15.0
644.26093	6.7
661.20636	66.1
661.30847	15.1
662.22247	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	662.1021
Annotation	beta-Nicotinamide adenine dinucleotide
Peak:m/z	Relative Intensity
50.00385	1.2
51.48255	1.2
52.60577	1.0
62.96406	1.8
65.09728	1.2
66.92902	1.0
69.80349	2.6
69.80760	3.7
78.95911	100.0
84.77168	1.0
87.45454	1.2
93.66739	1.1
96.96967	10.5
98.21812	1.3
103.64652	1.1
111.00866	1.6
120.86129	1.0
134.04729	19.9
137.44156	1.2
143.55362	1.2
146.98550	1.7
150.98157	1.4
158.92561	28.6
174.97995	5.2
176.93704	1.4
192.99036	1.2
211.00183	2.7
222.37175	1.2
245.55917	1.1
267.40262	1.1
270.98242	1.1
272.95758	13.9
317.64972	1.3
328.04443	9.3
346.05548	6.9
349.72028	1.2
408.01297	7.9
426.02298	6.1
467.65613	1.2
484.91418	1.3
540.05420	56.5
541.05737	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	663.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86053	0.2
50.96963	0.2
71.02509	0.4
71.32405	0.3
72.00924	0.7
76.17815	0.2
84.55737	0.2
85.83688	0.2
91.05540	2.3
91.80452	0.2
96.96010	1.6
98.95607	1.1
102.05577	0.2
103.12007	0.2
106.51566	0.2
112.07715	0.4
115.57994	0.2
127.05148	0.3
128.03537	1.1
129.10350	35.7
130.08710	0.4
130.10764	1.1
134.13759	0.2
139.08807	0.2
141.10373	0.3
145.06146	0.3
146.04628	0.3
147.04530	10.3
148.04875	0.5
164.07175	9.1
165.07448	0.6
179.11928	0.3
180.10127	0.2
222.12460	0.6
233.16602	2.9
234.16829	0.3
240.13721	0.2
258.14581	0.3
277.15570	100.0
278.15903	9.2
278.19016	0.4
300.20853	0.2
516.28027	0.6
517.28796	0.2
534.29315	0.8
645.32513	0.3
663.34058	2.1
664.33185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40469	2.3
57.03450	100.0
57.03735	5.0
59.01385	71.8
61.98836	4.6
67.41512	2.3
69.59803	14.3
71.01388	29.5
72.55205	2.5
73.02951	6.5
83.01401	8.5
85.02956	10.7
87.00890	3.0
89.02440	7.7
96.96045	4.5
99.00897	3.1
99.04528	59.5
100.04889	2.4
101.02454	43.9
101.06116	6.6
109.02998	2.5
113.02468	12.0
116.92847	4.5
119.05016	4.0
125.02470	29.6
127.05220	2.7
133.02959	9.4
134.03732	3.5
135.04555	25.7
136.01534	2.9
136.04922	2.7
137.02455	7.5
143.03433	3.0
145.02899	3.5
161.02467	26.2
161.04590	5.5
162.02751	2.7
175.03976	4.8
179.02133	2.9
179.03494	17.3
180.03827	2.5
184.46284	2.3
193.05020	2.9
219.94794	2.5
221.04488	2.7
238.21352	2.4
255.20226	2.5
281.06570	2.9
323.07758	5.1
454.89124	2.4
457.27478	2.6
467.12610	3.2
498.91397	2.8
502.26904	3.2
502.34033	46.3
503.34448	3.8
520.34955	99.3
521.27075	3.2
521.35309	16.5
561.15601	3.2
562.35846	6.6
563.36786	2.8
664.38678	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	665.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93256	0.6
58.85156	0.6
59.01373	3.0
59.04285	0.6
71.01386	2.2
71.02074	0.6
71.32696	0.8
82.70230	0.5
85.02953	1.3
89.02462	1.3
96.96022	1.9
101.02486	0.7
107.05029	0.7
109.02902	0.6
113.02460	1.2
117.03455	1.0
121.36322	0.5
125.02456	0.8
127.05145	0.6
128.03563	0.7
132.02162	1.8
133.02963	28.1
134.03836	1.1
135.04533	82.3
136.04883	2.5
137.02435	1.0
149.06126	1.5
161.02451	100.0
162.02783	5.8
165.01920	0.9
175.03969	1.6
177.05568	3.8
179.03506	82.9
180.03889	3.8
195.06619	2.0
203.03563	3.7
221.04579	4.3
263.05499	0.6
277.15408	1.0
281.06653	1.1
323.07733	30.8
324.07950	2.5
341.08820	14.3
342.09015	1.1
459.12958	5.9
460.13113	1.3
485.10889	7.8
486.11176	1.2
493.05630	0.6
503.11969	55.3
504.12433	8.1
665.17108	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	665.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59135	0.6
59.01384	10.5
71.01388	7.1
71.31179	0.6
71.31625	0.8
72.99319	0.8
73.02946	0.8
77.04227	0.6
83.01389	1.4
85.02977	1.5
89.02448	7.1
97.03024	1.0
101.02460	6.6
109.02956	1.2
113.02461	3.5
119.03512	3.0
120.89941	0.6
132.02148	1.0
133.02971	26.3
134.03673	0.7
135.03497	1.5
135.04541	24.1
147.04553	1.0
149.06094	1.7
161.02461	100.0
162.02821	4.0
164.50981	0.6
168.96622	0.6
175.04071	1.3
177.05579	3.4
179.03511	30.0
180.03822	1.1
203.03528	7.1
221.04573	3.9
221.06502	1.0
222.04758	0.7
242.06038	0.8
243.06647	5.3
253.89613	0.8
271.09775	1.2
323.07825	1.6
323.13483	29.6
324.13980	1.8
341.08807	6.3
443.12064	0.9
503.14111	56.0
504.14502	6.6
506.87518	0.7
553.26514	0.8
665.19452	5.5
666.19141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37815	1.8
57.03450	40.0
58.00573	3.6
58.95517	2.0
59.01384	100.0
69.91074	4.0
69.91449	8.0
71.01389	62.2
72.99318	2.7
73.02952	23.3
80.02125	2.1
81.03460	2.9
83.01404	11.2
85.02972	13.0
87.00853	3.4
89.02448	61.1
90.79420	1.7
92.93471	2.1
95.01418	4.1
99.04527	24.6
101.02449	62.9
105.18333	2.0
108.02170	4.2
109.02959	13.1
113.02467	28.5
115.00404	5.6
116.92835	2.6
117.03478	2.8
119.03498	27.3
119.05021	4.1
123.04515	13.3
125.01540	2.8
125.02451	30.1
131.03506	7.4
133.02931	6.6
135.04500	9.8
143.03517	13.1
145.02969	8.0
149.04544	7.9
161.02455	7.6
161.04541	21.0
161.05948	4.3
163.04010	6.3
177.01891	3.6
179.03494	8.9
179.05629	48.8
179.45689	1.8
221.06676	5.3
233.31604	1.9
242.05914	12.5
243.06572	6.3
271.09772	19.0
281.04559	2.8
297.07526	3.0
323.05780	2.9
341.06470	4.5
359.07617	2.1
399.16721	2.3
503.12000	11.0
521.13171	9.4
544.21057	5.7
665.26691	54.0
665.37189	4.2
666.26813	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	666.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.0
58.39013	1.7
59.01368	7.2
59.04701	1.8
61.98822	6.7
68.61721	1.8
68.99822	14.7
69.07325	2.8
69.07669	21.6
71.01369	10.0
71.87303	1.9
73.02937	2.9
75.00885	9.4
76.95576	1.8
78.48751	1.9
80.06089	1.8
85.02953	8.6
87.00863	2.3
88.98781	2.5
89.02444	2.7
93.03464	4.2
96.96030	2.8
99.04511	4.0
101.02468	9.0
103.00379	10.5
108.02171	44.5
113.02461	5.3
116.92864	2.3
119.03506	1.7
121.02946	24.8
122.03760	3.4
122.62923	1.7
129.01958	3.3
133.02975	3.2
134.03761	5.4
135.04553	5.5
137.02399	2.3
139.78072	1.9
145.05263	3.0
161.02477	5.8
164.14246	2.3
177.01962	2.3
179.03477	7.3
260.16711	3.3
282.21552	2.4
325.20612	3.0
326.21271	6.1
339.22015	33.6
340.22745	31.5
341.23355	5.1
342.20715	5.2
342.24454	4.3
350.21344	2.7
354.55432	2.2
359.24390	3.6
366.20758	12.5
367.21463	3.6
368.22559	4.3
384.22397	2.4
385.22604	3.4
394.20233	4.7
412.21271	3.4
472.23401	9.7
480.10919	2.2
504.26028	3.0
602.25830	3.0
634.28717	46.7
635.28430	9.0
666.31268	100.0
667.31958	20.4
671.17041	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	667.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92640	1.4
59.01389	10.5
69.17294	7.4
69.17714	4.3
71.01389	10.5
73.78957	1.2
85.02980	2.1
88.60582	1.2
89.02445	10.4
91.97925	1.5
96.00950	3.0
101.02469	2.0
105.03486	1.7
109.02980	2.8
110.66332	1.6
113.02477	3.1
114.05602	3.3
117.03491	2.7
119.03519	3.3
119.05001	3.0
121.02890	1.5
125.02461	2.1
128.03523	1.9
129.47018	1.2
130.08662	2.1
132.02184	1.3
133.02968	21.4
134.03844	3.0
135.04538	89.4
136.04887	3.2
145.02994	7.3
149.06094	1.6
151.84653	1.3
161.02457	74.4
161.06108	3.1
162.02812	4.4
163.04012	3.5
175.04077	1.9
177.01964	5.7
177.05426	2.0
179.03516	100.0
180.03871	5.9
187.04004	2.0
223.07819	1.3
227.07111	12.4
239.07291	3.0
253.08698	2.0
255.10193	8.7
281.08240	3.7
299.09274	2.7
325.06958	2.9
341.08777	84.3
342.08948	7.9
458.79193	1.6
505.13135	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.0
69.79365	3.0
71.01391	2.9
88.64373	0.6
89.02473	1.6
89.83105	0.7
101.02465	1.4
109.02966	2.5
113.02456	1.1
118.09373	0.5
119.05085	1.3
132.02151	1.4
133.02971	25.8
134.03271	1.0
135.04541	18.3
136.04875	1.3
145.02933	1.6
161.02463	100.0
162.02815	5.2
177.05556	1.2
179.03525	30.6
180.03957	1.4
190.17340	0.5
194.90555	0.7
199.12440	0.5
203.03470	3.3
227.07188	5.8
239.07199	2.5
255.10297	12.9
256.10699	1.6
299.09290	6.0
299.52988	0.6
325.06909	1.3
341.08795	38.8
342.09045	2.8
343.08115	3.4
495.06519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	2.8
69.00920	6.2
69.01345	8.6
98.21777	2.1
106.06684	1.4
108.04578	1.9
122.66265	1.2
160.04071	9.1
162.54617	1.3
164.07211	1.4
166.76390	1.8
193.03093	1.6
212.09612	1.6
218.04344	1.9
223.08818	2.6
225.06686	3.1
226.07510	20.9
227.11848	2.0
238.07468	4.4
239.08278	11.6
240.09026	4.8
249.10312	1.8
251.08261	9.1
252.08997	4.0
253.09789	2.7
255.11360	16.3
263.08112	3.0
265.06110	1.4
265.09821	5.5
266.06967	2.2
277.09854	4.5
278.07037	5.2
279.07739	21.9
280.08273	3.2
281.09137	1.6
293.09369	8.6
310.09543	4.6
311.10281	2.2
321.08789	62.6
322.09140	4.6
325.12033	3.5
353.11432	100.0
354.11743	9.8
385.13892	1.8
411.11868	1.6
434.53409	1.6
448.18820	2.0
458.67993	1.6
488.33075	1.5
603.18835	6.1
617.21460	2.5
635.21368	42.8
636.21838	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	667.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	68.3
59.01389	60.3
61.98839	12.5
70.53451	3.0
71.01394	36.5
73.02961	5.3
83.01396	6.7
85.02956	15.7
89.02459	13.5
95.01393	4.9
96.00917	3.0
96.96009	3.0
98.21699	6.0
99.00874	4.2
99.04533	71.9
101.02467	32.7
111.00919	3.3
113.02468	18.7
119.03522	4.9
119.04965	3.3
125.02467	31.1
126.00417	2.9
130.08774	3.2
135.04559	4.9
145.02960	3.5
159.02969	2.7
161.02449	7.8
179.03577	3.9
216.63303	2.8
271.52951	2.6
284.81693	3.2
359.28131	3.2
361.29803	22.8
505.33810	66.9
506.33963	11.0
523.27203	6.1
523.34991	100.0
524.35498	17.8
565.35681	4.0
667.29858	3.7
667.39423	36.7
668.40186	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	669.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
59.01385	17.4
71.01397	11.5
71.32234	1.1
71.70410	0.7
72.99329	1.6
73.02967	1.2
78.98453	0.8
83.01388	1.4
85.02966	3.9
87.00871	1.3
89.02470	8.5
93.03472	40.9
95.01416	1.7
96.96018	1.3
101.02438	7.0
103.42356	1.0
106.73339	0.9
107.04994	0.9
108.02206	1.5
111.00896	27.0
113.02458	6.4
117.03502	1.0
119.03537	1.3
119.05062	5.9
125.02460	1.3
128.03558	5.3
131.04993	1.3
133.03004	1.0
133.06645	1.2
135.04535	1.2
137.02419	1.3
143.03545	1.2
145.02959	1.8
145.06581	3.6
159.04539	0.8
161.02357	1.2
161.04601	3.0
163.04056	2.3
169.06602	2.1
171.08160	2.7
175.74487	0.7
179.05632	2.4
182.07500	1.0
183.08119	1.2
185.06116	2.8
195.08188	35.0
196.08699	3.9
197.06178	1.2
197.09747	11.5
207.08183	1.0
209.06030	0.8
209.09729	1.1
211.07619	7.8
215.07246	1.1
217.47314	0.8
219.08266	2.3
221.09778	2.6
223.07677	48.6
224.08041	3.6
229.08739	1.7
235.07690	2.0
237.09238	6.8
239.10817	31.2
240.11142	2.7
241.08739	3.0
253.08727	1.4
263.10968	1.4
265.08752	30.2
266.09091	3.0
283.09796	100.0
284.10233	7.4
285.07782	1.7
301.10818	2.8
302.10986	1.0
307.09848	2.7
309.07733	17.7
310.08026	2.2
323.09863	3.4
325.10858	1.3
327.08768	15.9
328.09253	1.4
334.17609	1.6
345.09717	1.5
345.23083	1.1
346.24023	3.3
351.08768	14.6
352.09097	2.9
369.09854	4.4
421.03375	0.8
429.11938	1.7
489.14154	4.2
507.14999	3.5
513.31744	1.0
669.38354	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	669.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52090	0.6
57.03436	0.8
59.01382	15.8
59.35452	0.7
60.62769	0.6
67.01863	1.1
69.47665	3.4
71.01384	10.4
72.99312	1.3
73.02957	1.5
81.08421	0.7
83.01386	1.4
85.02957	4.0
89.02435	8.1
93.03465	34.3
95.01393	1.5
96.96015	1.0
98.22501	1.0
99.00886	1.4
100.41631	0.8
101.02446	5.2
106.04229	0.8
108.02101	0.7
109.02952	0.9
111.00893	23.2
113.02440	6.3
117.03485	1.3
119.03524	3.2
119.05026	6.4
125.02416	1.2
128.03546	3.1
133.02979	1.0
133.06613	1.5
135.04538	0.8
143.03531	1.2
143.05006	0.8
145.02936	2.1
145.06586	2.5
145.09785	0.8
157.23239	0.7
159.04558	1.1
161.04565	1.8
163.03992	1.1
169.06552	1.9
171.04468	1.4
171.08157	2.4
179.03427	0.9
179.05629	2.6
182.07310	0.9
183.08189	1.3
185.06100	2.3
195.06384	1.8
195.08160	33.9
196.08678	4.1
197.06073	0.9
197.09694	13.0
203.05641	0.7
211.07666	7.8
213.12685	1.1
215.03639	1.0
215.07268	0.7
219.08121	1.7
221.09746	2.0
222.06860	1.1
223.07660	46.4
224.07997	4.0
229.08617	1.0
235.07616	2.2
237.09215	6.6
239.10770	28.2
240.11118	2.2
241.08624	3.4
249.09225	0.7
253.08752	1.1
263.10648	1.6
265.08691	30.2
266.08945	3.8
283.09766	100.0
284.10117	8.3
285.07629	2.1
287.39316	0.8
293.11865	1.2
295.09531	0.7
301.10715	3.0
307.09769	3.1
309.07681	19.2
309.11154	1.2
310.08047	1.4
323.09686	2.3
325.10806	1.2
327.08707	15.6
328.09152	1.5
345.09720	1.7
346.23886	2.3
351.08798	16.4
352.09070	1.7
369.09839	2.1
381.09732	1.1
399.10944	0.9
429.11868	3.0
489.13818	4.8
490.14063	1.1
506.35867	0.7
507.15308	3.7
670.34509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3859
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.21216	1.3
55.99293	1.6
57.03437	2.2
59.01377	3.5
61.98848	8.9
70.84592	2.4
73.47620	1.4
75.41976	1.4
85.02960	2.4
99.04533	3.1
101.02435	2.9
125.02450	2.8
149.06010	2.1
150.06863	25.5
161.02481	3.6
162.06871	2.1
163.07677	12.5
164.08438	3.6
171.10304	3.3
179.10803	6.6
255.16148	2.1
327.21738	4.0
446.30612	4.0
460.31873	3.3
461.32678	6.3
488.31659	5.3
489.31921	2.7
506.32217	8.4
507.33163	20.3
508.33762	2.6
632.55884	1.9
669.38599	100.0
670.30743	1.7
670.39319	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80419	1.3
66.64896	1.1
91.22337	1.4
98.21706	3.0
184.97581	1.4
301.70352	1.2
347.46625	1.4
438.13577	1.6
444.12598	1.4
451.14346	1.9
452.15085	4.2
481.15063	10.1
493.15485	2.4
495.16870	18.5
496.17285	2.7
508.17484	2.5
523.16559	1.6
533.26685	1.6
535.16064	1.7
536.16772	3.3
540.16553	2.0
551.19409	40.8
552.19696	7.2
555.18573	2.4
572.15588	3.8
586.17340	2.4
595.18469	9.6
596.18420	2.0
627.21033	100.0
628.21326	31.1
670.22351	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	670.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01376	1.2
60.22138	0.4
61.44309	0.4
61.98829	0.5
67.59398	0.3
69.03413	1.8
69.03835	2.5
71.01384	0.9
72.52049	0.6
79.83904	0.4
83.01393	0.5
85.02980	0.5
89.03981	0.5
96.96051	0.9
99.04524	0.5
101.02477	0.9
105.03450	0.8
106.04290	0.4
107.05027	0.6
108.02192	2.4
109.02979	0.4
113.02486	0.4
117.03471	1.5
121.02979	3.0
125.02486	0.8
128.29422	0.4
132.02185	1.7
133.02985	28.5
134.03813	4.5
135.04550	44.2
136.04890	1.6
137.02486	2.0
139.04066	0.9
142.54784	0.4
160.01730	0.4
161.02470	100.0
162.02809	3.9
163.04027	0.6
168.62299	0.4
178.02779	0.8
179.03520	20.8
180.03926	0.8
180.62126	0.4
181.05147	0.4
215.92114	0.4
323.07684	0.7
326.21426	0.4
327.22192	0.5
328.22879	2.2
345.23138	5.7
346.23889	7.5
384.21808	0.7
402.48315	0.4
431.36252	0.5
437.15604	0.4
507.26178	0.5
508.27109	27.3
509.27606	3.8
619.38721	0.5
670.32416	83.0
671.32745	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	670.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59156	1.6
55.01884	3.2
57.03447	4.7
58.00583	4.6
58.48637	1.4
59.01387	90.3
61.98847	2.4
69.03452	5.9
69.88818	1.3
71.01392	100.0
71.32129	1.8
72.01742	3.0
72.99303	5.6
73.02959	10.6
75.00879	2.5
78.91911	4.3
81.03479	3.1
83.01401	6.6
83.56406	1.5
85.02969	20.0
87.00925	8.3
87.01371	1.7
87.05679	2.7
88.98847	2.6
89.02458	80.6
92.93928	1.6
93.03468	5.2
94.03786	1.9
95.01408	7.3
96.00942	2.0
96.96024	4.3
97.02969	7.2
99.00902	6.3
99.04541	2.7
101.02458	68.4
107.01364	1.6
108.02193	22.1
111.00908	4.9
113.02467	38.8
114.05684	2.0
119.03521	44.4
119.04914	1.9
121.02977	5.6
123.04536	1.8
125.02465	38.6
126.90478	2.2
128.03543	3.9
129.10289	3.1
130.08800	2.2
131.03545	9.6
133.01443	1.6
135.04552	1.9
143.03525	13.1
149.04585	3.8
161.02454	2.4
161.04546	16.4
167.03523	2.6
179.05644	29.3
180.80693	2.1
195.08173	3.1
196.08607	2.5
221.06705	21.7
222.10121	1.7
223.07654	4.9
224.08080	2.3
237.09274	2.3
238.09645	2.4
240.11092	2.1
245.06636	2.6
246.11803	1.8
260.16571	2.0
263.07639	11.2
265.08667	7.8
266.09100	8.0
277.15543	2.9
283.09747	3.5
284.10141	3.8
284.12839	1.6
287.20135	2.2
302.21219	2.9
309.07858	2.4
323.09885	55.1
324.10229	3.0
326.21286	5.5
328.22833	14.2
329.23157	2.8
346.23914	56.9
347.24265	7.0
351.08850	5.4
352.09164	8.7
353.09372	2.1
370.10428	1.8
405.76346	1.8
482.64822	2.0
508.29202	85.5
509.29364	11.4
669.85223	2.5
670.34491	22.8
671.34058	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
57.02018	1.3
57.03462	5.2
58.43670	1.6
59.01383	19.4
61.98832	6.5
70.54759	1.8
70.55110	3.1
71.01396	11.9
71.89692	1.5
85.02999	2.7
89.02453	8.5
95.01410	2.2
97.09396	1.4
99.04536	3.1
101.02448	10.4
101.39265	1.4
113.02479	4.1
118.79414	1.3
119.03535	3.4
125.02485	2.6
133.07700	1.4
142.81136	1.5
148.63823	1.4
159.59596	1.4
161.02519	1.8
179.05637	1.5
209.04688	2.6
221.71454	1.5
258.62030	1.6
278.58694	1.5
293.21371	6.0
350.82468	1.5
374.24158	1.8
378.79474	1.5
426.17816	1.5
455.26556	2.5
473.27579	100.0
474.28024	15.2
671.31427	2.4
679.46082	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	671.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06518	2.0
57.03183	3.1
57.03452	62.8
59.01384	100.0
61.98835	29.7
68.87774	2.2
69.03457	3.1
69.10158	15.7
69.10580	4.8
71.01384	36.8
72.99305	4.0
73.02948	12.1
83.01396	7.6
85.02962	14.8
87.00900	2.5
89.02464	15.8
95.01415	4.4
96.96006	2.6
99.00896	3.8
99.04523	56.6
101.02449	49.2
101.06115	2.9
113.02444	21.3
113.21270	2.3
119.03506	4.9
125.02452	34.3
133.02960	7.0
134.03754	2.7
135.04536	9.1
137.09743	2.4
141.10205	2.5
150.06844	2.6
159.03003	2.3
161.02516	14.0
161.04561	17.5
162.02834	2.8
173.11845	5.6
175.04010	2.5
179.03545	6.4
179.05588	3.0
200.04999	2.7
205.76381	2.4
214.76656	2.5
221.11844	10.5
317.15939	11.0
335.17130	55.9
336.17450	3.9
347.22098	5.7
377.18219	16.6
378.18265	2.6
432.11774	2.3
491.26443	12.3
492.26196	3.2
509.27576	36.7
509.34814	5.3
510.27899	7.2
527.28571	22.2
528.28986	3.7
669.70038	3.2
671.31390	13.4
671.41931	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	671.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83361	1.0
59.01396	1.1
61.98831	3.6
69.53993	2.5
69.54412	4.1
71.01401	3.0
73.02911	1.0
81.30951	0.9
85.02961	2.6
89.02442	2.0
96.95948	1.0
98.22506	1.2
99.04532	1.7
101.02469	3.1
110.38754	0.9
113.07287	1.1
124.32859	1.0
125.02409	1.0
148.05360	1.1
149.06091	2.8
150.06876	25.3
155.10852	1.3
161.02502	1.2
163.07661	18.0
164.08391	3.8
175.68883	1.0
178.10019	1.8
179.10762	8.6
266.95004	1.0
285.20798	1.3
327.25446	3.4
329.23477	3.0
448.31857	6.9
462.33768	4.3
463.34348	9.3
473.27597	5.8
474.27658	1.2
490.32755	6.8
491.33701	3.8
508.34140	7.0
509.34744	19.9
510.35532	3.4
671.40179	100.0
672.30212	1.6
672.40668	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4018
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03441	2.3
58.26868	1.4
59.01377	5.0
61.98830	8.3
68.66521	1.6
70.00285	1.4
70.66763	1.5
70.67097	3.4
71.01389	3.5
80.83112	1.2
81.57362	1.3
89.02454	2.0
96.74626	1.6
97.15501	1.3
99.04544	1.7
101.02447	2.3
109.46434	1.4
119.62830	1.3
135.02576	1.4
149.06081	6.1
150.06876	43.6
151.07213	1.5
161.02469	1.8
163.07666	9.9
164.08447	6.7
167.38316	1.7
176.06003	1.4
176.08514	2.8
178.09990	3.7
179.10780	12.6
197.15636	1.4
329.23413	5.7
430.31299	1.9
448.31860	8.5
462.33405	1.7
463.34421	10.8
464.34573	1.7
490.32965	3.2
491.33984	3.0
508.33698	2.3
509.34839	26.5
510.35602	2.9
671.40179	100.0
672.40674	23.7
682.63141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3809
Annotation	MK 7924
Peak:m/z	Relative Intensity
57.03457	2.3
58.66693	0.5
58.79567	0.5
59.01379	2.6
61.98815	1.4
64.75755	0.6
69.41923	3.5
71.01386	1.8
73.02963	0.6
85.02954	1.3
87.00884	0.9
89.02452	0.9
99.04529	1.9
101.02477	1.4
111.04517	0.6
113.02426	0.8
121.06620	1.8
122.03758	1.1
123.08184	0.9
125.02467	0.8
135.04535	2.7
135.08139	0.8
136.05313	38.9
137.06009	0.9
137.09715	1.0
147.08209	1.4
148.05305	0.7
149.06094	6.3
149.09769	0.7
150.06847	3.8
151.07651	0.8
155.10780	0.6
161.02464	1.6
161.04549	0.6
162.06860	1.8
163.07619	1.7
164.08435	3.3
165.09224	29.1
166.09543	0.8
179.03224	0.5
224.56717	0.5
307.19144	0.8
345.22803	6.3
346.23337	0.5
447.30978	1.1
450.30002	1.1
464.31445	0.9
465.32202	12.6
466.32620	2.2
492.30762	1.0
493.31876	3.4
510.31894	2.9
511.32678	28.3
512.33142	4.0
673.38062	100.0
674.38403	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01385	1.0
61.30082	0.2
61.98839	100.0
71.01385	0.9
71.32635	0.3
73.02968	0.3
82.03045	0.2
83.19376	0.2
85.02976	0.5
86.99873	0.2
89.02457	0.7
89.46040	0.2
96.96048	0.4
99.04536	0.5
101.02489	0.6
108.30692	0.2
113.02511	0.8
116.92928	0.3
119.03525	0.2
121.04184	0.2
122.87438	0.2
125.02506	0.5
149.03592	0.4
151.51210	0.2
161.02467	0.4
161.04590	0.6
166.38568	0.2
168.39433	0.2
179.05684	0.3
211.03658	0.3
323.09811	0.2
369.23090	0.3
675.30145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	69.8
59.01385	83.6
61.98823	15.8
69.20290	10.1
69.20698	28.4
71.01379	45.5
73.02957	30.7
83.01383	18.5
85.02944	10.8
87.00869	4.8
89.02436	23.1
96.96022	7.2
99.04519	100.0
101.02441	68.4
113.02468	27.9
119.03530	12.8
121.02972	15.6
123.04545	21.4
125.02454	60.9
126.02737	4.9
127.88935	4.7
131.03526	6.9
143.03514	19.0
149.04556	10.4
161.02490	6.7
161.04550	34.5
179.05563	12.7
179.25211	4.5
203.05492	6.8
209.04639	11.3
218.04968	4.7
221.06691	9.3
263.07739	8.3
323.09714	8.2
369.22974	9.3
477.23434	78.6
478.23529	7.8
605.85834	5.4
675.27118	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	675.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52426	4.1
57.03456	83.9
59.01387	95.6
59.62485	4.3
61.98849	22.5
71.01390	50.7
73.02951	30.7
81.03499	4.3
83.01392	15.2
85.02953	13.4
87.00901	4.9
89.02441	26.9
98.21732	9.6
99.00938	5.0
99.04535	100.0
100.04859	4.0
101.02456	69.7
113.02466	33.6
113.06044	4.4
116.92968	4.5
119.03487	15.4
123.04536	19.6
125.02473	68.0
129.46176	3.9
131.03551	4.3
133.02962	4.8
143.03490	16.2
149.04572	11.0
156.44514	3.7
161.02435	15.1
161.04564	33.4
179.05653	9.5
188.11130	3.7
189.07596	4.6
221.06604	7.4
263.07776	5.2
323.09824	10.5
349.41360	4.5
369.22934	5.0
388.13800	4.1
475.29193	9.5
477.23465	71.6
478.23880	13.6
512.36542	5.3
513.36536	4.4
675.38849	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	675.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97979	1.7
55.01882	2.9
57.03451	30.8
58.00603	2.2
59.01094	3.8
59.01384	65.6
61.50194	1.6
61.85220	1.7
61.98822	3.4
68.30278	1.8
69.03445	2.8
71.01385	63.4
72.99313	2.4
73.02933	6.7
78.95902	2.7
80.43172	1.5
81.03464	2.6
83.01382	7.0
85.02953	29.4
86.43723	1.7
87.00871	4.2
89.01949	2.9
89.02454	36.6
95.01402	16.1
96.00922	1.4
96.96001	1.8
97.02946	3.8
99.00863	4.9
99.03913	3.1
99.04522	21.4
101.02442	28.7
113.02461	100.0
114.02782	2.9
115.00352	1.4
119.03503	9.1
123.04530	2.5
125.02460	21.8
130.83678	1.7
131.03532	2.1
135.04498	2.9
143.03491	13.2
147.34676	1.7
149.04585	1.9
152.99567	1.8
155.03496	7.8
161.02394	4.2
161.04572	79.7
162.04869	3.3
179.05640	32.9
203.05638	16.1
305.08710	2.4
323.09894	2.1
341.10779	4.9
351.45493	1.8
513.34442	2.0
531.24475	5.0
654.64563	1.7
675.28412	25.5
675.38928	1.6
676.28369	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	675.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03451	55.0
58.00613	2.1
59.01384	79.8
61.98840	26.4
69.03455	4.4
71.01391	90.7
72.99329	3.2
73.02951	13.2
81.03457	2.9
83.01385	14.7
84.44105	1.3
85.02960	48.3
87.00893	6.5
89.01948	2.8
89.02453	36.0
93.03452	2.8
95.01395	9.6
96.95999	2.4
97.02959	8.5
97.69231	1.4
99.00893	37.6
99.04527	19.9
101.02455	66.3
103.25061	1.7
109.02980	2.2
113.02464	65.6
119.03529	15.9
125.02461	34.9
131.03499	3.4
133.02899	1.4
137.02457	8.7
137.09746	2.7
143.03510	27.2
155.03484	4.3
161.04567	44.0
162.04939	2.0
179.03697	1.7
179.03957	1.8
179.05624	13.3
185.04489	1.6
192.11600	7.4
203.05661	11.7
203.74281	1.7
207.13934	20.2
216.08026	1.4
221.06717	3.0
229.32971	1.5
233.86101	1.4
245.06624	5.0
305.08795	3.9
323.09863	100.0
324.10144	7.1
365.10962	15.1
369.22766	2.3
477.23352	2.5
513.23737	2.4
531.24493	84.4
532.24750	17.0
573.25275	11.0
675.17126	2.9
675.28687	38.6
675.37817	1.6
676.29529	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	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83359	0.7
55.01865	1.2
57.03442	0.9
58.00579	2.1
59.01380	48.2
60.23666	0.6
69.03448	3.0
71.01385	44.6
71.31777	1.0
72.99299	2.3
73.02938	7.0
75.00870	0.9
80.52114	0.6
81.03443	2.0
83.01402	5.9
85.02947	9.7
87.00877	9.9
89.02449	35.8
90.02789	0.9
91.04031	0.8
95.01372	3.1
97.02962	7.3
99.00883	2.3
101.02448	34.5
103.03996	0.6
111.00928	0.6
111.04510	1.8
113.02463	16.6
114.41191	0.7
119.03510	14.3
123.00927	0.8
125.02457	16.6
126.02784	0.9
131.03497	1.6
133.05064	1.8
139.04028	1.4
143.03508	7.6
149.04527	1.0
161.04576	9.9
165.43752	0.8
169.05083	0.8
179.05606	7.9
185.04498	1.1
203.05626	0.8
217.07126	1.2
221.06641	2.5
228.88838	0.6
235.08226	17.2
245.06575	1.3
253.09328	4.3
259.20709	0.7
263.07751	1.7
277.09198	1.3
277.21725	100.0
278.22058	11.5
278.44730	0.6
287.07733	2.9
305.08749	3.9
323.09808	1.5
379.12418	1.1
397.13513	82.5
398.13818	8.4
411.03030	0.8
415.14563	33.9
416.15042	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	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03435	1.4
58.00592	2.1
59.01384	42.4
62.33443	0.7
69.03448	3.0
71.01386	41.8
72.01696	0.7
72.99300	3.4
73.02953	7.2
78.81332	0.6
79.67548	0.7
81.03471	2.0
83.01384	5.2
85.02952	7.9
85.55423	0.6
87.00875	10.8
89.02451	32.3
95.01389	4.4
97.02953	6.8
99.00870	2.3
101.02449	30.7
102.02791	0.7
111.00879	1.2
111.04536	1.2
113.02451	16.7
115.04067	1.3
119.03497	12.2
125.02445	11.8
131.03522	2.5
133.05098	0.8
139.03960	0.8
143.03534	7.7
161.04559	9.0
167.03442	1.2
179.05605	7.2
180.06012	0.8
203.01357	0.9
203.05583	0.9
217.07083	1.6
221.06624	2.2
227.05681	0.8
235.08212	16.2
236.08809	0.9
245.06763	1.0
253.09305	4.9
263.07727	1.7
277.21732	100.0
278.22113	9.0
287.07764	2.8
305.08707	3.6
323.10013	2.3
379.12238	1.3
397.13501	78.3
398.13763	7.0
415.14603	35.8
416.14917	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	675.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.6
60.56557	0.4
71.01408	0.4
81.20506	0.4
83.05043	1.3
87.75703	0.4
89.03983	0.7
91.05535	0.7
93.03462	0.8
93.73832	0.4
96.96024	0.4
117.03492	1.2
117.97536	0.5
119.05031	1.7
121.02972	14.5
122.03323	0.7
122.86127	0.4
132.02176	1.7
136.01698	0.5
147.04553	6.1
149.02466	83.6
150.02806	4.7
151.04037	0.8
163.04007	0.5
164.04817	56.7
165.05157	3.3
179.07149	3.9
208.03784	1.2
223.06145	100.0
224.06480	5.5
225.16110	1.2
420.16928	0.5
433.31775	0.7
451.32971	16.8
452.33069	2.3
610.13831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
58.02966	4.0
59.01383	8.1
69.03466	1.6
69.50151	6.5
71.01378	3.3
73.29813	1.0
80.05059	1.5
82.02989	3.0
83.01418	2.4
84.04558	5.5
85.02961	1.1
87.05640	4.3
88.04044	13.3
89.02453	4.3
94.03007	1.5
96.04564	2.1
97.04058	1.8
98.02487	3.2
98.06113	3.7
98.21912	1.3
99.00895	1.8
100.04054	26.8
101.02447	4.1
102.05614	24.0
103.67490	1.0
112.04052	4.8
112.07673	1.7
113.07213	2.3
114.05621	1.6
116.07172	4.9
119.03481	1.9
122.93286	0.9
124.04061	16.8
125.02423	1.3
128.03551	65.2
129.03835	1.6
129.10350	12.9
133.02986	1.7
136.04091	2.7
138.05600	1.3
140.03537	2.3
141.06721	2.5
142.05127	11.7
146.04594	11.1
154.05180	1.7
159.07774	1.6
160.06161	16.3
161.02480	4.5
166.05150	2.0
173.09334	2.0
179.03592	1.1
183.11311	1.1
184.06133	3.8
194.86853	1.0
201.12459	1.0
202.07196	10.9
214.15732	1.0
244.32901	1.1
245.11411	5.5
274.09155	1.2
322.71280	1.0
341.08859	1.9
345.03946	1.0
345.12982	8.7
405.15082	7.4
406.15399	1.2
548.20990	79.9
549.21442	8.0
677.25232	100.0
678.15210	1.7
678.25616	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	677.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84784	2.1
54.28616	1.9
54.60625	1.9
57.03452	89.0
58.00573	2.9
58.03795	2.6
59.01381	100.0
69.76307	2.1
70.86865	4.3
71.01386	59.7
71.11648	1.9
72.99302	4.0
73.02956	28.9
79.05512	3.7
81.03470	5.6
83.01396	8.7
85.02950	7.9
87.00867	5.1
89.02450	62.5
95.01385	4.0
96.96017	2.4
99.04528	56.0
101.02449	74.4
105.98336	2.6
106.48409	2.0
107.05022	2.5
113.02458	25.8
113.06095	4.9
119.03513	29.0
121.02951	9.5
123.04545	19.1
125.02444	40.5
131.03526	5.7
135.04482	2.4
141.05618	3.2
143.03508	9.6
148.01794	2.8
149.02472	28.6
149.04558	7.1
150.02782	13.1
153.05620	3.2
153.81436	2.2
161.04579	15.8
163.04025	5.6
163.67265	2.0
164.04739	15.5
165.05115	7.5
166.05287	2.5
179.05635	36.5
208.47745	2.1
214.86925	2.2
221.06616	2.8
223.06055	18.1
224.06589	11.5
225.04016	7.1
225.06349	4.7
225.08255	3.3
276.47507	2.3
283.53018	2.2
452.33319	3.6
453.33734	3.1
582.24298	2.3
602.50494	2.2
677.30133	50.5
678.29907	9.9
707.45026	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	677.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80366	1.4
55.01898	1.5
57.03459	75.3
58.00595	2.9
59.01388	100.0
60.01720	1.8
61.98840	2.3
69.65314	5.3
69.65719	2.8
71.01391	53.2
72.99303	3.7
73.02959	16.5
81.03465	3.5
83.01412	9.0
85.02977	15.2
87.00897	3.7
89.02461	40.8
95.01408	5.4
96.00907	1.6
96.96033	2.4
98.22485	2.6
99.00909	3.2
99.04536	58.6
100.04895	2.1
101.02459	54.8
103.69564	1.3
113.01649	1.6
113.02469	40.0
119.03519	19.8
123.04544	5.4
125.02472	41.3
127.05173	1.6
131.03568	1.6
133.01442	1.5
143.03506	7.5
148.04076	3.7
149.04588	3.0
161.02486	2.3
161.04590	17.4
179.03473	1.6
179.03967	1.7
179.05640	22.1
221.06740	1.7
223.02617	1.5
262.73999	1.6
398.19720	1.5
450.07462	1.7
515.24884	24.9
516.25397	2.3
533.26044	65.2
534.26532	10.2
575.27386	9.2
677.30286	38.1
678.30634	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03450	79.5
57.32822	1.0
58.00582	2.8
58.03802	1.4
59.01383	100.0
60.01700	1.8
61.98818	2.6
63.80871	1.0
69.03456	1.9
69.96223	4.8
71.01385	57.5
72.99298	4.1
73.02580	1.2
73.02952	15.2
80.97897	1.1
81.03446	2.9
82.95417	1.0
83.01389	9.9
85.02957	14.6
85.04563	1.0
87.00880	3.5
89.02450	48.4
91.06268	1.1
92.71457	1.0
95.01396	7.1
96.95983	2.1
99.00874	2.7
99.04527	61.2
100.04836	1.7
101.02448	58.3
102.02771	1.2
113.02456	39.5
115.00276	1.1
119.03512	19.6
121.02963	1.9
123.04533	5.1
125.02452	42.0
131.03479	3.6
132.99692	1.2
133.02950	1.3
135.04501	4.9
143.03525	12.3
148.04091	3.2
149.04552	3.5
153.51959	1.2
159.09612	1.0
161.02525	4.9
161.04556	18.1
178.83174	1.0
179.03490	3.7
179.05600	25.2
180.06071	1.1
193.36717	1.1
203.05589	1.7
215.91144	1.1
221.06606	2.3
221.52759	1.0
223.06131	1.5
242.03284	1.1
259.94846	1.1
264.15976	1.3
330.53833	1.0
371.20731	1.7
515.24792	21.6
516.14478	1.6
516.25256	4.6
533.25995	62.4
534.26196	9.9
575.27289	9.4
576.26996	2.3
615.30432	2.1
677.30164	40.4
678.30688	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	677.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
57.03228	2.8
57.03458	38.9
57.75040	2.2
59.01391	53.5
60.19580	2.2
61.98828	5.9
63.11267	2.2
69.03448	2.9
69.04675	6.4
69.05097	20.2
71.01390	53.2
72.99286	2.6
73.02950	12.5
73.95937	2.2
80.11227	2.6
81.03488	2.4
83.01395	14.6
85.02962	21.7
87.00876	2.9
89.02467	24.3
95.01375	3.4
97.02968	3.5
97.65743	2.5
99.00870	5.3
99.04539	25.0
101.02458	49.0
112.31951	2.4
113.02473	39.2
116.92824	2.4
119.03484	11.3
125.02463	23.6
131.03473	2.6
135.04544	5.3
143.03540	8.1
152.07266	2.4
155.03482	4.0
156.08408	2.5
156.59804	2.4
159.02986	3.5
161.02423	9.7
161.04582	28.1
175.03975	3.0
177.01958	10.2
179.05653	12.3
183.23892	2.3
203.03668	2.7
203.05553	6.1
335.14658	2.7
371.20544	4.7
516.13672	3.1
521.02826	2.7
533.26044	100.0
534.26648	14.1
556.58173	3.2
575.26929	15.5
597.15656	3.1
677.30261	33.6
677.48785	4.4
678.29718	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	677.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34048	0.9
57.03456	87.1
58.00586	2.5
58.03795	1.8
59.01387	100.0
60.01728	1.0
61.98823	3.2
64.62574	1.0
69.03455	1.3
71.01392	65.3
71.32476	2.1
72.01682	1.2
72.99293	4.1
73.02584	1.5
73.02957	24.0
73.04076	1.0
79.05511	2.8
81.03475	5.1
83.01406	9.8
84.69183	1.0
85.02960	10.8
87.00862	4.4
88.11504	1.0
89.02457	58.0
95.01373	4.0
95.05017	1.0
96.95970	2.7
97.06588	1.6
99.04534	54.7
100.04854	1.6
101.02458	71.4
113.01740	1.8
113.02473	29.2
113.06090	3.4
116.58819	0.9
119.03519	33.3
123.04552	16.3
125.02466	39.0
127.05142	2.5
128.03513	4.1
129.10318	1.1
130.08757	0.9
131.03477	4.0
135.04459	1.3
141.05547	2.6
143.03485	11.5
149.04599	5.8
153.05544	3.4
161.04578	20.3
179.04108	1.8
179.05644	35.8
179.11981	1.3
180.10365	1.1
189.07564	1.2
220.05576	1.1
221.06616	1.5
222.12532	2.1
240.13525	1.8
316.17807	1.0
327.17493	1.1
391.94315	1.1
521.16425	1.1
533.26154	3.1
677.30005	52.7
678.30286	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	677.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
57.03454	32.0
58.00594	1.4
59.01384	43.1
61.98809	1.6
69.03466	1.5
69.57277	4.4
71.01388	48.7
72.99326	1.5
73.02949	11.4
73.65630	0.7
74.44068	0.7
81.03436	1.3
83.01397	7.5
85.02954	20.4
87.00885	2.3
89.02451	18.1
89.02966	1.5
95.01395	5.7
97.02972	2.2
99.00900	5.1
99.04530	11.3
101.02453	39.7
102.02786	1.0
113.02459	28.6
114.02803	1.3
119.03475	5.8
125.02464	14.8
131.03470	1.2
133.02971	1.2
143.03517	5.9
159.02994	2.6
161.02452	3.0
161.04561	19.0
162.04868	0.8
179.03528	0.9
179.04184	0.9
179.05626	6.2
191.14485	1.6
203.05650	2.9
212.25867	0.7
282.86905	0.9
314.23682	0.8
323.09805	2.4
371.20828	2.7
413.22385	1.1
515.24969	2.5
533.26074	100.0
534.26520	13.3
575.27069	19.8
576.27606	2.8
677.30212	30.1
678.30408	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45500	0.3
55.01877	1.4
56.76308	0.3
57.03434	1.2
58.00597	1.6
59.01387	37.5
60.01722	0.6
67.09779	0.3
69.03456	2.2
71.01390	37.1
71.32384	0.3
72.01738	0.4
72.99320	3.6
73.02957	5.8
75.00877	1.0
81.03458	1.5
82.61182	0.4
83.01398	3.9
85.02466	0.6
85.02961	8.5
86.00066	0.5
87.00887	8.9
89.02455	28.4
90.02807	0.4
91.04028	0.4
95.01392	2.3
97.02969	6.4
99.00887	2.6
101.02456	28.1
102.02768	0.7
103.04006	0.4
109.02964	0.6
111.00880	0.5
111.04542	1.4
113.02459	13.3
119.03516	9.3
119.04893	0.4
121.02944	0.9
123.00880	0.3
124.01651	0.3
125.02470	11.9
126.02762	0.4
127.04077	0.4
129.02008	0.3
131.03503	1.4
133.05058	1.0
137.02393	0.5
139.04027	0.9
141.01944	0.9
143.03506	4.6
149.04552	0.9
161.04572	6.3
165.20386	0.3
167.03549	1.1
169.05061	0.3
179.05644	5.4
185.04596	0.6
190.01453	0.3
199.06087	0.7
217.07188	1.0
219.05077	0.5
221.06721	2.2
235.08249	12.6
236.08560	0.6
245.06638	1.1
253.09319	3.5
263.07697	1.7
277.09311	0.9
279.23318	100.0
280.23672	11.1
287.07693	3.2
293.24692	0.4
301.81473	0.3
305.08838	3.4
323.09741	1.7
361.11539	0.5
379.12595	0.9
397.13538	63.3
398.13849	5.7
415.14609	29.4
416.14914	2.5
633.37134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03450	1.1
58.00602	1.9
59.01382	40.4
60.01705	0.4
65.13308	0.2
68.99845	0.4
69.03461	2.2
71.01386	37.1
72.01741	0.3
72.99319	3.0
73.02958	6.5
75.00882	0.9
80.96513	0.3
81.03466	1.5
83.01397	4.1
83.05035	0.4
84.50221	0.2
84.54261	0.2
85.02953	8.2
86.00127	0.4
87.00881	9.2
87.04513	0.4
89.02451	30.5
90.02792	0.5
91.04025	0.6
93.03486	0.4
95.01401	3.2
95.05047	0.3
97.02951	6.1
99.00905	2.2
99.04529	0.6
101.02451	27.7
102.02789	0.5
103.00388	0.3
109.02976	0.7
111.00900	0.6
111.04548	0.9
113.02461	14.0
114.02789	0.5
115.04034	0.6
119.03509	9.3
121.02987	0.4
123.00877	0.4
123.04563	0.3
125.02458	11.6
126.02791	0.4
127.04002	0.4
129.01895	0.2
131.03517	1.3
133.05095	0.9
137.02516	0.4
139.04031	1.0
141.01947	0.7
143.03506	5.6
149.04573	0.9
157.05003	0.3
159.02992	0.3
161.04568	6.5
167.03497	0.6
169.05031	0.5
179.05611	6.4
180.06029	0.3
181.05066	0.5
185.04539	0.6
194.07158	0.2
199.06100	0.3
203.05759	0.5
217.07185	1.1
219.05028	0.3
221.06654	1.9
235.08234	12.2
236.08481	0.6
245.06757	0.8
253.09297	3.3
263.07758	1.1
277.09317	1.0
279.23297	100.0
280.23654	10.6
287.07745	2.7
288.95209	0.2
293.24734	0.4
305.08774	3.5
323.09961	1.8
324.51254	0.3
361.11398	0.4
379.12619	0.6
397.13510	70.3
398.13815	5.8
415.14578	28.6
416.14975	2.1
444.60394	0.3
577.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39306	0.1
57.03444	0.6
58.02980	0.3
59.01394	1.3
69.03459	0.1
70.40121	0.1
71.01377	1.0
73.02953	0.2
79.51279	0.1
80.05074	0.3
81.03465	8.6
81.78387	0.1
82.03787	0.2
83.05035	22.0
84.05361	0.6
88.44318	0.1
89.02438	0.8
97.22328	0.1
99.04540	0.2
100.07696	0.4
101.02464	0.7
107.06158	0.4
108.04610	0.7
113.02481	0.3
119.03513	0.5
125.02478	0.3
125.07221	1.2
125.87324	0.1
126.05648	0.4
135.04552	0.5
143.08270	0.8
157.13455	0.2
161.02483	0.2
161.04642	0.2
177.01949	0.3
179.03549	0.4
179.05615	0.3
207.15030	1.7
208.13515	0.2
208.15393	0.2
221.95688	0.1
224.17715	3.3
225.16095	14.4
225.53404	0.2
226.16460	1.1
242.18715	0.9
268.16550	0.2
280.67209	0.1
290.22351	0.3
309.21777	0.8
324.26532	0.8
333.22913	0.9
339.22675	0.2
339.27597	0.2
341.29257	1.3
351.24109	0.4
367.27094	1.3
385.28079	0.3
433.32022	1.3
434.32074	0.2
450.34537	1.7
451.32913	6.7
452.33191	1.0
462.29416	0.1
468.35840	0.2
527.11462	0.2
533.26221	0.3
535.38312	0.2
550.43524	0.9
551.43579	0.2
558.89758	0.2
559.39673	0.5
565.44684	0.3
567.46582	0.3
593.44226	0.7
659.48627	1.5
660.48779	0.4
677.49719	100.0
678.50024	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	679.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68119	0.7
57.03439	3.0
59.01377	3.9
61.98825	2.9
70.95535	1.3
70.95895	1.7
71.01398	5.1
73.02936	0.8
74.43537	0.8
85.02949	2.3
87.00906	1.0
89.02445	2.8
99.04543	2.2
101.02452	2.7
105.03482	0.8
113.02436	2.8
116.92885	1.8
117.03512	0.9
121.97645	0.8
125.02464	2.0
132.02165	2.7
133.02963	36.9
134.03784	7.2
135.04530	23.7
136.04893	1.6
137.02374	1.1
147.04492	0.8
149.06110	1.7
160.01688	2.1
161.02455	100.0
162.02765	5.1
175.04044	3.4
177.05627	0.8
179.03505	32.7
180.03798	1.7
193.05029	8.8
201.05594	1.0
203.03542	2.1
221.04552	2.1
233.04640	1.7
235.06113	1.4
240.91554	0.8
245.04573	6.5
251.05594	5.4
259.06052	1.7
265.07205	1.8
301.86856	0.8
305.06628	3.6
323.07681	5.9
337.09256	3.5
341.08475	0.9
355.24875	0.8
485.12900	2.3
499.13950	2.2
503.13995	1.0
535.32233	0.9
617.32928	0.8
619.67828	0.8
679.18805	3.7
679.33063	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	679.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01377	4.5
61.98838	0.7
69.51384	2.7
69.51794	1.7
71.01402	3.5
83.01382	1.3
83.24778	0.7
85.02980	1.8
89.02451	1.2
96.00918	0.8
99.04542	1.4
101.02451	2.2
107.05051	0.9
113.02451	1.7
117.03484	3.2
125.02441	2.3
128.03510	1.0
130.08841	1.1
132.02165	3.9
133.02986	26.2
134.03783	10.4
135.04546	75.6
136.04866	3.5
149.06087	2.8
160.01668	8.6
161.02464	100.0
162.02843	6.3
175.04016	13.8
176.04405	1.2
177.05557	2.9
178.02742	1.0
179.03522	68.4
180.03844	3.3
183.56859	0.7
193.05069	6.7
203.03532	3.4
221.04576	3.7
281.06729	1.2
323.07587	5.3
337.09296	22.7
338.09628	2.9
341.08829	23.2
341.12833	1.5
342.09314	2.1
473.14618	18.1
474.14944	2.2
499.12515	14.0
499.19342	1.1
500.12848	2.0
503.14487	1.7
517.13611	21.9
518.13800	2.7
535.31323	0.8
559.14685	0.8
642.84161	0.9
679.18884	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	679.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35283	0.3
57.03470	0.7
59.01392	2.7
59.48031	0.3
61.98838	0.5
62.14314	0.4
69.13135	0.5
69.13538	2.9
71.01391	2.0
85.02985	0.8
86.85640	0.3
89.02474	1.1
89.03992	0.5
99.04542	0.4
101.02454	0.7
105.03462	0.5
106.04274	0.3
107.05057	0.5
109.02946	0.4
113.02487	1.0
117.03504	2.0
119.18923	0.3
123.04551	0.4
123.63920	0.4
125.02485	0.5
128.03532	0.4
132.02193	4.1
133.02975	27.9
134.03778	8.9
135.04547	44.9
136.04848	2.3
137.02431	0.4
147.04486	0.6
149.06105	2.8
160.01683	6.8
161.02464	100.0
162.02815	5.1
175.04039	10.0
176.04488	0.5
177.05557	2.6
178.02696	0.8
179.03517	47.3
180.03889	2.2
193.05061	5.2
203.03566	2.2
221.04590	2.2
221.89780	0.3
246.96382	0.4
250.81235	0.3
251.05515	0.7
281.06738	1.1
297.10059	0.3
323.07703	4.5
324.08301	0.5
337.09348	14.1
338.09586	1.2
341.08810	20.8
342.09085	2.3
367.26343	0.4
469.60776	0.4
473.14590	13.2
474.14850	1.9
499.12503	14.5
500.12891	1.7
503.14154	2.1
504.14893	0.3
517.13525	18.4
518.13879	2.7
541.13202	0.9
659.55609	0.4
679.18854	5.0
680.18811	1.2
690.45111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34775	52.1
61.98816	63.5
71.04319	100.0
91.60339	67.8
121.24800	66.6
290.02725	61.7
312.43665	55.0
507.76660	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49724	1.0
61.98836	100.0
64.80241	1.0
64.92796	1.1
67.82014	1.2
69.59093	1.1
71.30818	1.4
85.49189	1.2
194.29276	1.1
227.56026	1.3
289.05954	1.4
333.76016	1.3
465.64557	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	681.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.5
61.29337	0.4
68.55391	0.4
71.01396	2.1
85.02930	0.7
89.02438	2.1
96.96052	0.4
98.22552	0.8
101.02476	0.7
113.02480	0.9
116.88135	0.4
117.03477	19.3
118.03819	1.1
119.05043	5.4
121.02976	0.8
125.02402	0.8
128.03537	0.4
133.02890	0.6
134.03754	16.0
135.04420	0.5
137.02516	2.0
137.03471	0.5
137.07185	0.4
139.03992	0.8
143.11810	0.4
145.02965	100.0
146.03285	4.3
147.04477	0.4
149.06087	4.7
159.04494	0.9
161.02454	0.7
161.06079	1.5
163.02734	0.7
163.04022	11.0
164.04430	0.6
175.04059	0.6
178.02728	9.8
182.61754	0.4
187.03987	5.2
193.05069	36.8
194.05406	2.2
205.05080	1.3
226.06284	0.5
237.59453	0.4
241.08760	0.6
260.52435	0.4
265.07083	1.9
295.06204	0.6
318.28671	0.4
325.09305	32.5
326.09570	2.1
339.05185	0.7
342.06406	0.4
355.10406	5.2
356.10767	0.6
525.51306	0.5
541.61682	0.4
568.28430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54112	5.2
59.01389	100.0
70.58172	7.3
70.58517	12.0
71.01384	87.7
72.99294	6.9
85.02979	12.0
87.00896	6.3
87.22614	4.9
89.02455	98.8
101.02447	21.6
106.97269	4.9
113.02437	40.9
116.92900	6.3
119.03517	40.2
122.35770	5.8
124.40720	4.9
143.03497	15.3
158.99216	4.7
161.04567	11.8
179.05626	51.7
223.08031	4.7
259.23514	5.1
263.07077	12.6
281.08240	25.8
282.08493	10.2
291.06680	6.7
293.08350	6.9
296.10394	6.2
308.10474	7.6
309.07736	97.8
310.07990	7.5
319.77499	5.1
323.09271	19.4
324.10095	50.5
339.12399	90.1
340.12659	17.7
357.13614	8.6
487.42401	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	681.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44395	0.4
56.00940	0.5
69.82248	1.3
69.82645	0.9
71.01389	2.2
73.02940	0.9
79.41614	0.6
85.02964	2.0
87.41127	0.5
93.03448	0.5
101.02447	1.6
113.02439	1.2
121.02970	3.4
122.03745	2.1
136.01672	58.9
137.01927	1.1
151.04022	93.1
152.04347	3.6
160.05307	1.2
161.04546	3.2
162.03256	0.9
163.04028	1.0
163.94606	0.5
170.05450	0.6
175.04097	0.6
175.07573	1.1
177.05527	0.8
179.03519	0.8
190.51013	0.6
197.42822	0.6
311.13049	0.9
342.11057	4.7
343.11469	0.7
357.13458	100.0
358.13754	12.9
392.46002	0.6
519.18738	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	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42609	1.2
59.01378	1.9
69.12421	10.7
71.01362	1.8
76.86973	1.0
89.02460	1.9
101.02444	1.1
102.48254	1.2
115.44694	1.0
118.63808	1.0
130.25029	1.1
133.02974	15.9
135.04520	5.9
157.95695	1.1
161.02458	100.0
162.02776	4.7
179.03502	19.4
194.73502	1.0
203.03546	1.6
221.04666	1.4
244.86324	1.0
249.10919	1.3
258.76160	1.3
341.08813	51.9
342.09235	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	683.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96449	1.0
59.01380	4.9
69.07986	10.9
71.01380	3.8
73.04075	1.3
85.02971	1.6
89.02455	2.5
106.97277	1.1
107.05048	1.6
109.02948	10.9
113.02476	1.9
116.07253	1.5
117.03457	1.2
117.78027	1.1
119.05049	2.8
121.02951	3.8
123.04542	2.5
128.03586	1.4
131.05048	1.5
133.01489	1.5
133.02994	7.9
135.04552	46.8
136.04842	1.2
145.02988	15.9
147.04547	18.5
149.06116	26.7
157.02986	4.3
158.03772	3.6
159.04568	1.3
160.01726	2.3
161.02483	24.3
161.06139	2.9
163.04016	3.9
173.02472	14.7
173.06102	1.8
174.03281	12.4
175.04034	100.0
176.04378	5.5
177.01942	6.0
179.03537	32.0
180.03882	2.4
187.04053	9.0
189.05554	1.9
191.03600	2.4
193.05089	3.9
201.01974	19.5
201.03813	2.1
203.03595	1.1
215.03503	2.6
215.94801	1.0
217.04971	2.1
219.03012	12.7
231.02831	1.0
235.06235	1.8
242.05910	2.2
243.03009	9.1
253.08713	1.1
255.06650	8.5
261.03998	2.1
262.69958	1.2
269.08255	2.2
271.09790	37.4
272.10107	4.1
295.06149	24.5
296.06525	1.8
297.07727	39.5
298.07999	3.5
315.08817	11.9
323.05533	2.5
327.13489	7.2
328.22379	2.9
341.08722	18.8
355.10513	3.0
357.09918	1.9
359.07648	9.6
381.08176	1.3
392.01807	1.0
399.09265	2.6
404.87460	1.3
436.51593	1.1
503.12570	2.0
521.13055	31.6
522.13416	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	683.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57106	0.5
59.01383	1.8
60.42192	0.5
71.01385	1.8
71.13180	0.9
74.69302	0.6
89.02460	1.2
93.03477	1.3
95.01427	0.7
96.96049	0.7
101.02447	0.9
109.02967	13.2
117.03483	1.3
119.05047	2.3
121.02965	2.9
122.03770	0.8
123.04504	2.0
125.02480	0.8
128.03584	0.6
131.05040	0.8
133.02983	4.9
135.04546	16.4
145.02982	4.7
146.03735	1.2
147.04535	9.9
149.06099	35.6
150.06429	1.4
157.02975	4.8
158.03723	2.4
159.04536	1.8
160.01729	0.7
161.02467	11.4
161.06094	2.5
162.02910	0.9
163.04036	20.1
164.04343	0.7
173.02454	22.7
173.06038	1.1
174.03247	17.3
175.04024	100.0
176.04370	5.6
177.01965	1.3
178.74707	0.6
179.03520	12.9
180.03862	1.3
185.02344	0.6
187.04021	7.8
188.04587	0.8
189.05563	0.6
191.07101	0.7
193.05060	3.7
201.01959	35.3
202.02345	1.5
203.03510	1.6
215.03557	1.6
217.05090	1.7
218.02214	0.9
219.03017	21.8
220.03378	1.7
227.07202	0.7
231.03040	1.2
233.04547	1.2
235.06306	1.8
239.07103	1.3
241.04852	0.6
242.05792	1.6
243.03006	1.0
243.06526	1.2
253.08832	1.0
255.06487	1.2
255.10301	11.6
256.10648	1.0
257.50433	0.6
261.04053	3.2
271.09781	40.7
272.10123	3.6
279.06854	0.9
291.05295	1.0
295.06116	1.6
297.07712	13.6
298.08151	1.5
299.09241	5.6
315.08786	19.3
316.09222	1.7
321.06281	1.1
323.05670	2.1
324.06189	0.8
339.08807	2.0
341.05957	0.8
341.08774	2.4
343.08337	1.7
355.10358	2.5
357.09912	1.9
359.07596	4.1
360.08231	0.8
364.60242	0.6
372.85312	0.6
373.30530	0.6
381.08386	9.2
399.09323	1.4
459.12878	1.3
477.14139	1.8
503.12524	1.6
521.13245	6.6
522.13654	0.8
545.12738	1.0
683.18140	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	683.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87767	1.2
59.01374	4.7
61.56315	1.3
69.69466	6.3
71.01382	4.0
89.02465	3.8
96.31513	1.2
99.64201	1.2
101.02451	2.8
109.02953	6.9
113.02443	2.3
114.34587	1.4
115.00376	1.3
121.02985	2.3
125.02473	5.0
133.01462	2.2
133.02975	23.6
135.04532	19.4
149.06078	5.1
161.02463	100.0
161.06038	2.7
162.02760	3.8
175.04001	6.6
179.03500	26.5
187.04073	2.2
201.01961	1.7
203.03516	5.0
228.68683	1.6
242.05847	3.9
243.06638	21.3
255.06613	2.4
256.79654	1.5
271.09857	7.9
285.55017	1.4
297.07693	5.8
315.08832	3.8
341.08899	53.9
341.70999	1.4
342.09131	5.1
359.07690	5.6
490.42551	1.5
503.13770	1.7
599.69855	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	683.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60247	4.7
55.01848	6.6
56.51762	4.9
59.01383	64.8
69.66008	18.1
69.66430	11.6
71.01385	72.7
72.99290	7.0
73.02936	12.8
83.01363	6.8
85.02945	14.8
87.00895	10.9
89.02448	79.3
89.49657	5.3
89.81788	5.1
93.12218	5.0
95.01418	6.2
97.32504	4.7
101.02451	65.8
113.02462	32.3
119.03532	36.6
131.03528	10.4
143.03471	6.0
161.04547	16.1
179.05630	100.0
221.06703	25.2
367.70569	5.2
683.25641	43.5
684.25873	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	683.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42262	1.4
57.03179	2.5
57.03452	44.2
58.95634	1.5
59.01386	23.2
59.44213	1.4
61.98816	4.0
62.63863	1.2
70.61241	1.3
71.01388	17.0
71.33360	1.4
72.55392	1.3
72.99321	1.8
73.02945	2.8
83.01374	4.3
85.02962	5.9
87.00886	1.4
89.02441	3.6
95.01401	1.6
98.56367	1.4
99.04529	23.3
101.02439	17.3
109.03005	1.5
113.02456	5.7
113.03571	1.4
125.02468	16.3
133.02998	3.3
135.04539	4.8
143.03474	2.1
157.08672	1.5
161.02451	9.1
171.10159	1.8
175.03996	2.1
177.05617	1.6
179.03516	3.5
197.43065	1.6
285.20584	3.1
303.21747	17.6
345.22501	1.6
429.24796	6.5
447.26010	100.0
448.26358	13.0
465.27014	37.0
466.27298	4.1
489.27094	21.9
490.27609	3.6
507.28107	12.8
521.33167	2.0
529.30170	6.3
539.34351	2.1
547.31464	4.0
683.34918	20.8
684.35547	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	684.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32397	1.2
58.70827	1.3
61.22609	1.0
67.98526	1.1
78.95914	1.3
85.58957	1.2
108.77660	1.0
140.34840	1.1
202.88327	1.2
224.08553	1.0
377.20044	1.0
438.13651	3.6
452.15390	1.2
466.12979	1.5
481.15250	44.5
482.15561	9.9
495.17126	9.5
496.17175	3.4
509.14282	1.3
525.14185	1.6
539.16064	2.3
540.16394	13.4
541.16815	3.7
554.18298	3.9
555.18909	85.4
556.19244	29.6
572.15576	23.4
573.15698	5.3
586.17322	5.5
587.17328	1.7
641.22577	35.5
642.22876	11.2
684.23169	100.0
685.23376	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98613	0.7
54.66253	0.7
56.83743	0.7
59.01387	7.1
68.62262	0.7
70.30627	2.7
71.01386	2.1
77.96469	0.8
83.85822	0.7
86.92944	0.7
93.03476	0.9
101.02454	0.8
109.02956	8.9
111.00912	2.6
113.02473	0.8
113.07219	0.8
116.45166	0.8
119.05018	1.0
121.02897	0.7
128.03500	0.9
130.08719	0.8
132.57741	0.7
132.59552	0.8
133.03024	0.9
135.04532	4.7
137.56033	0.8
141.76569	0.7
145.03030	0.7
149.06131	1.1
150.80052	0.9
153.34634	0.7
161.02429	3.3
161.06000	0.8
169.06516	0.8
172.05241	1.4
174.03227	1.0
175.26488	0.9
179.03577	1.8
185.06042	3.4
187.07648	7.3
199.07620	1.4
201.05746	0.9
211.04025	3.0
211.07642	3.4
212.08406	3.7
213.09218	9.3
222.06845	2.1
224.04857	1.8
225.05559	3.5
227.10799	4.5
229.12283	3.9
231.06697	2.1
235.07617	1.6
236.08336	2.1
237.05492	2.1
237.09187	10.7
238.06223	0.9
238.09666	1.3
239.07143	50.5
240.07718	7.4
253.08894	1.0
255.10271	16.7
256.10651	2.1
257.08197	2.2
265.04977	1.0
273.11371	3.2
277.49814	0.9
281.08115	6.5
282.08575	0.9
283.06174	1.5
299.09247	100.0
300.06598	1.0
300.09634	10.1
317.10400	8.2
318.10599	1.4
323.09167	1.1
325.07172	1.8
343.08234	33.3
344.08585	4.2
361.09262	10.1
362.09805	1.4
367.08099	1.9
461.14517	1.5
505.12897	1.3
523.14301	6.5
524.14716	1.2
646.13617	0.9
685.39459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98613	0.7
54.66253	0.7
56.83743	0.7
59.01387	7.1
68.62262	0.7
70.30627	2.7
71.01386	2.1
77.96469	0.8
83.85822	0.7
86.92944	0.7
93.03476	0.9
101.02454	0.8
109.02956	8.9
111.00912	2.6
113.02473	0.8
113.07219	0.8
116.45166	0.8
119.05018	1.0
121.02897	0.7
128.03500	0.9
130.08719	0.8
132.57741	0.7
132.59552	0.8
133.03024	0.9
135.04532	4.7
137.56033	0.8
141.76569	0.7
145.03030	0.7
149.06131	1.1
150.80052	0.9
153.34634	0.7
161.02429	3.3
161.06000	0.8
169.06516	0.8
172.05241	1.4
174.03227	1.0
175.26488	0.9
179.03577	1.8
185.06042	3.4
187.07648	7.3
199.07620	1.4
201.05746	0.9
211.04025	3.0
211.07642	3.4
212.08406	3.7
213.09218	9.3
222.06845	2.1
224.04857	1.8
225.05559	3.5
227.10799	4.5
229.12283	3.9
231.06697	2.1
235.07617	1.6
236.08336	2.1
237.05492	2.1
237.09187	10.7
238.06223	0.9
238.09666	1.3
239.07143	50.5
240.07718	7.4
253.08894	1.0
255.10271	16.7
256.10651	2.1
257.08197	2.2
265.04977	1.0
273.11371	3.2
277.49814	0.9
281.08115	6.5
282.08575	0.9
283.06174	1.5
299.09247	100.0
300.06598	1.0
300.09634	10.1
317.10400	8.2
318.10599	1.4
323.09167	1.1
325.07172	1.8
343.08234	33.3
344.08585	4.2
361.09262	10.1
362.09805	1.4
367.08099	1.9
461.14517	1.5
505.12897	1.3
523.14301	6.5
524.14716	1.2
646.13617	0.9
685.39459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2881
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
52.87739	1.1
61.72894	1.1
61.75568	1.0
65.63805	1.3
65.99843	3.6
69.71190	4.9
82.02985	18.9
83.01396	2.6
92.05186	1.1
94.03016	2.0
98.22499	1.6
106.03040	1.1
134.02441	1.7
136.04077	8.0
164.03551	10.6
171.05615	1.5
180.68842	1.4
194.04622	3.6
194.08182	3.3
196.06126	5.7
215.08369	1.8
221.10927	1.2
223.12482	1.9
225.13983	1.5
227.08357	1.7
241.05995	2.3
255.07765	3.5
279.11078	1.3
311.14072	2.0
325.15781	2.1
490.23337	2.3
523.74487	1.3
551.19244	9.0
552.20221	1.5
566.21967	4.5
567.22491	1.4
581.27631	5.8
611.77063	1.3
621.23706	2.7
653.26196	28.9
654.26758	6.2
685.28778	100.0
686.29095	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	80.7
59.01385	100.0
61.98823	12.0
66.42632	4.9
70.31353	15.8
71.01393	62.2
72.99320	4.0
73.02929	19.8
74.39281	4.0
80.39525	4.2
83.01406	8.6
83.05092	4.9
85.02954	22.4
87.00880	12.3
87.04510	4.4
89.02441	44.5
99.04516	46.4
101.02451	61.1
101.06091	10.3
113.02460	34.2
119.03482	20.2
121.02951	4.8
123.04623	4.6
125.02455	32.0
133.02927	7.4
135.04546	18.3
143.03537	9.9
144.86469	3.9
145.02939	4.9
160.01633	9.2
161.02463	21.6
161.04549	11.9
166.06146	6.9
169.37773	4.4
174.01726	3.9
175.03972	8.8
179.03555	9.5
179.05644	11.2
182.94113	4.3
184.07309	6.0
201.09154	11.7
205.05118	4.7
290.94809	3.8
321.15396	7.3
402.55304	4.9
415.19772	6.6
417.21146	8.2
422.92816	5.6
433.20511	4.7
448.70050	4.8
487.23383	13.1
505.24551	56.4
505.31775	6.9
506.24683	8.0
523.25476	35.2
524.26538	8.0
541.26526	89.8
542.26929	13.2
547.25732	6.1
565.26678	7.8
583.28046	12.4
685.29315	24.3
685.40204	13.8
686.31787	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	686.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25232	0.9
54.37497	0.9
59.01379	3.7
60.99283	1.0
69.68703	5.9
71.01377	3.6
74.02480	58.6
82.06640	2.6
87.29023	1.0
89.02452	1.7
98.42667	1.0
98.43347	0.9
98.57249	0.9
109.02995	1.8
118.05116	2.1
126.09307	2.5
129.10345	26.3
133.02974	25.4
134.03328	3.7
135.03563	1.2
135.04541	11.5
136.04877	2.4
139.08809	2.7
143.11911	18.0
152.07188	2.8
153.10356	1.6
155.03519	2.4
161.02464	100.0
162.02806	20.1
163.02986	5.2
164.03235	1.7
169.13506	3.3
177.05597	1.8
179.03508	25.5
180.03831	4.2
187.10951	1.7
195.15080	3.3
197.16605	5.5
203.03539	2.7
211.07722	1.1
221.04613	2.2
225.16077	16.5
227.06924	1.8
238.19023	1.1
243.17221	4.4
255.10278	4.3
256.10660	2.7
256.20319	22.4
257.20676	2.4
281.06705	1.3
282.18155	1.1
282.21899	1.9
284.18878	1.1
285.06100	2.1
297.11649	1.1
300.19315	45.4
301.19519	2.4
341.08792	42.6
342.09131	10.4
343.09329	6.2
344.09250	3.6
344.21924	89.8
345.09024	1.3
345.22116	7.1
373.04553	1.0
543.99213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83544	13.0
57.03452	13.2
59.95031	12.6
61.98848	21.6
69.27292	12.7
71.32532	23.1
71.32895	17.8
72.21696	13.8
98.52631	12.8
115.34707	13.4
141.11000	12.3
147.52304	12.5
148.78555	12.9
253.21721	41.8
328.98190	16.0
356.59302	14.9
361.63129	13.0
397.13452	100.0
415.14676	31.2
532.64532	14.8
687.33746	45.7
688.32007	16.6
689.54382	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01387	3.8
61.98829	3.3
64.17329	0.8
69.08438	8.4
71.01365	2.6
72.86432	0.9
73.02895	0.9
79.95736	3.2
85.02950	3.0
87.00901	0.9
89.02448	4.8
96.96014	16.3
99.00922	0.8
99.04530	2.0
101.02448	1.7
108.02197	0.8
113.02454	2.4
125.02467	1.8
135.04559	1.5
149.06065	4.6
150.06871	38.8
151.07376	1.8
152.00792	0.7
161.02496	1.9
162.71913	0.8
163.07632	8.6
164.08453	7.1
178.10010	2.0
179.03499	1.2
179.10788	18.7
180.11102	1.3
220.03421	0.9
343.24722	1.2
345.22888	4.1
435.31253	0.9
446.30832	1.1
464.31583	5.6
479.33691	6.4
480.34317	1.2
489.26288	1.1
506.32318	1.4
507.33347	1.9
524.33966	2.2
525.26428	1.3
525.34393	25.6
526.34998	4.4
598.07404	0.9
687.29358	6.9
687.39618	100.0
688.28918	1.6
688.40057	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	687.3965
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03444	0.7
59.01377	1.5
61.98827	2.1
69.51584	0.5
70.95185	1.5
71.01375	1.7
85.02961	2.6
87.00916	0.8
87.04509	1.0
88.75363	0.7
99.04536	0.7
100.05134	0.6
123.08194	0.6
136.05327	0.6
136.54384	0.5
137.09717	0.7
148.05266	1.0
149.06107	3.1
149.09753	1.0
150.06873	21.6
151.07271	0.6
155.10789	1.3
162.06888	1.3
163.07663	15.2
163.11417	0.6
164.08450	4.1
171.10176	1.0
177.09233	0.7
178.09978	0.9
179.10783	13.3
179.12213	1.0
180.11162	0.8
186.90073	0.6
301.20215	1.2
327.21799	1.1
343.24796	4.6
344.25348	0.7
345.22876	4.7
462.33835	0.7
464.31512	3.1
478.32928	4.3
479.33762	5.9
480.34555	0.8
488.31262	0.7
506.32584	6.7
507.33322	2.8
524.33496	8.9
525.34338	21.5
526.34857	3.2
687.39636	100.0
688.40002	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.6
57.03458	23.9
58.98877	1.5
59.01390	55.8
61.98843	2.5
69.03498	1.8
69.29876	12.1
71.01395	57.8
72.99322	3.7
73.02965	8.4
75.00893	4.7
81.03499	1.5
83.01406	8.0
85.02967	25.2
87.00891	3.7
89.02453	21.8
94.85651	1.4
95.01405	5.8
97.02969	4.4
98.21830	3.2
98.71834	1.4
99.00911	6.8
99.04534	6.0
101.02462	46.0
108.06367	1.4
111.00868	1.7
113.02469	26.0
118.96586	1.5
119.03539	8.7
121.06625	4.1
123.04543	2.2
125.02474	13.3
129.01947	8.2
131.03560	2.5
132.34761	1.9
137.09750	35.8
138.10170	2.6
143.03511	3.3
161.04655	7.1
163.07716	2.2
163.11319	30.2
164.11635	1.7
165.09373	1.5
179.05643	7.0
187.07712	4.2
200.39935	1.7
203.10802	49.1
204.11090	2.0
205.12346	1.8
221.11818	10.4
267.07913	1.5
347.15054	7.3
365.16110	40.1
366.16376	4.9
381.10483	3.0
407.17197	6.0
446.96573	1.8
467.15909	3.3
485.17297	2.8
527.21484	42.5
528.21704	5.4
545.22479	100.0
546.22791	14.4
569.22717	4.2
587.23511	22.1
588.23761	4.2
627.26898	4.1
689.26611	28.6
690.27466	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	689.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	1.2
57.03454	19.7
59.01384	32.3
61.98829	5.0
69.03454	1.3
71.01389	35.6
71.33451	2.7
72.99335	2.8
73.02938	5.1
81.03480	1.3
83.01400	2.6
84.02180	1.7
85.02947	17.6
87.00873	4.7
89.02444	18.7
95.01390	6.9
96.00838	1.3
96.95997	1.3
97.02934	3.3
99.00890	5.0
99.04539	9.9
101.02453	22.0
113.02460	38.0
119.03539	7.8
121.06518	1.4
125.02464	12.9
130.08795	1.7
131.03529	2.7
135.04549	1.9
137.06125	2.9
137.09735	10.8
143.03481	8.6
147.08224	1.4
155.03424	2.4
161.02533	1.8
161.04572	27.6
161.09735	11.2
162.04861	1.3
163.11290	2.1
165.09190	3.1
177.12875	2.0
179.05623	12.3
187.07626	1.4
191.10672	2.0
193.12286	6.5
203.05640	8.6
203.10791	19.3
206.09511	6.1
220.11101	1.8
221.11838	100.0
222.12241	7.9
323.09827	19.9
365.10941	2.6
365.15671	1.5
491.28815	2.5
504.80997	1.7
527.20337	2.0
527.35535	2.5
545.22430	34.2
546.22827	6.4
587.23608	4.6
652.58942	1.4
689.26178	17.6
690.26318	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	689.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61459	3.2
59.01377	20.2
71.01383	16.1
73.02924	3.9
89.02458	14.7
98.21748	8.7
101.02440	11.5
113.02424	5.2
125.87969	3.6
143.03525	3.2
161.02402	6.9
179.05574	5.1
201.78813	3.6
235.08232	7.0
255.23329	52.3
256.23666	6.4
397.13498	100.0
398.13852	10.7
415.14648	28.8
653.37738	9.3
689.35156	63.0
690.35175	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	689.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
59.15462	11.8
71.01373	20.5
73.32772	10.5
78.95908	13.7
89.02438	13.0
94.38074	9.5
141.83223	12.8
255.23236	70.3
295.21002	12.4
397.13577	100.0
398.13788	13.2
415.14572	34.9
689.34705	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88280	1.2
58.39017	1.1
61.98830	8.4
70.58736	1.0
71.32159	1.7
73.02943	1.6
73.31969	1.3
80.96522	1.2
81.89532	1.2
86.36140	1.0
106.87478	1.2
121.68038	1.1
137.67517	1.3
186.15918	1.1
299.04376	2.0
301.34637	1.0
438.13727	1.2
452.15170	2.4
481.15131	6.4
495.16873	13.5
496.16873	3.1
508.16925	1.4
509.17664	1.3
536.17218	2.5
540.16486	2.0
551.19397	33.2
551.27905	2.0
552.19897	10.7
554.18866	1.3
555.18146	1.3
572.15680	2.8
586.17261	3.2
595.18274	3.5
627.21008	100.0
628.21271	29.5
630.21344	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	691.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	35.3
58.00599	3.7
58.63053	3.2
59.01088	5.8
59.01382	83.4
61.98825	5.9
65.50449	3.8
70.66610	5.7
71.01386	63.4
72.99287	7.2
73.02944	13.7
83.01385	16.3
85.02952	23.1
87.00883	7.6
89.02441	36.2
95.01391	8.5
97.02940	7.3
99.00906	6.7
99.04510	20.8
101.02449	58.4
113.02454	49.3
119.01438	3.7
119.03511	14.4
121.02901	4.7
125.02449	18.9
128.03497	4.0
143.03500	9.0
145.07718	5.6
147.00861	6.2
147.04553	4.5
149.02444	43.0
150.03210	3.6
152.01213	3.2
155.03534	5.3
160.06447	15.0
161.04565	31.0
161.07219	95.8
162.07564	3.5
163.03998	10.3
163.11290	12.3
164.04788	30.9
175.00389	32.9
175.08783	32.7
175.11205	4.4
176.01018	5.8
179.05597	15.9
179.07040	6.9
187.08746	8.3
189.06702	98.7
190.02724	87.9
190.07048	4.7
191.03500	18.5
193.01433	5.3
201.10338	7.7
203.05641	5.2
203.08273	26.2
203.10425	4.1
205.03258	6.5
205.05064	96.1
205.12363	25.5
206.05701	20.4
207.02975	5.8
208.03755	10.1
221.06380	5.9
221.08208	16.1
222.05226	3.9
223.06090	58.2
223.08249	3.7
223.13342	4.4
224.06535	4.1
229.09859	18.6
237.07701	5.2
250.04726	7.8
263.08017	3.8
265.07187	44.0
266.07458	4.1
295.08176	18.3
305.11444	19.7
323.09695	40.5
325.09363	22.5
342.12207	3.6
367.17401	6.8
383.12009	7.1
385.11371	10.3
385.18643	13.4
427.19543	7.5
467.16977	19.5
485.17773	85.7
486.18008	11.1
501.15988	4.8
529.22693	18.8
547.24005	54.3
548.24139	11.2
589.24524	7.6
691.23035	100.0
692.23413	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	35.3
58.00599	3.7
58.63053	3.2
59.01088	5.8
59.01382	83.4
61.98825	5.9
65.50449	3.8
70.66610	5.7
71.01386	63.4
72.99287	7.2
73.02944	13.7
83.01385	16.3
85.02952	23.1
87.00883	7.6
89.02441	36.2
95.01391	8.5
97.02940	7.3
99.00906	6.7
99.04510	20.8
101.02449	58.4
113.02454	49.3
119.01438	3.7
119.03511	14.4
121.02901	4.7
125.02449	18.9
128.03497	4.0
143.03500	9.0
145.07718	5.6
147.00861	6.2
147.04553	4.5
149.02444	43.0
150.03210	3.6
152.01213	3.2
155.03534	5.3
160.06447	15.0
161.04565	31.0
161.07219	95.8
162.07564	3.5
163.03998	10.3
163.11290	12.3
164.04788	30.9
175.00389	32.9
175.08783	32.7
175.11205	4.4
176.01018	5.8
179.05597	15.9
179.07040	6.9
187.08746	8.3
189.06702	98.7
190.02724	87.9
190.07048	4.7
191.03500	18.5
193.01433	5.3
201.10338	7.7
203.05641	5.2
203.08273	26.2
203.10425	4.1
205.03258	6.5
205.05064	96.1
205.12363	25.5
206.05701	20.4
207.02975	5.8
208.03755	10.1
221.06380	5.9
221.08208	16.1
222.05226	3.9
223.06090	58.2
223.08249	3.7
223.13342	4.4
224.06535	4.1
229.09859	18.6
237.07701	5.2
250.04726	7.8
263.08017	3.8
265.07187	44.0
266.07458	4.1
295.08176	18.3
305.11444	19.7
323.09695	40.5
325.09363	22.5
342.12207	3.6
367.17401	6.8
383.12009	7.1
385.11371	10.3
385.18643	13.4
427.19543	7.5
467.16977	19.5
485.17773	85.7
486.18008	11.1
501.15988	4.8
529.22693	18.8
547.24005	54.3
548.24139	11.2
589.24524	7.6
691.23035	100.0
692.23413	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
57.03180	2.9
57.03453	53.8
58.00599	2.8
59.01382	100.0
68.99815	2.2
69.03470	3.2
69.39128	5.7
69.39554	7.6
71.01385	96.6
72.99308	4.5
73.02938	12.8
77.92074	2.0
78.04537	1.8
81.03452	3.6
83.01393	17.6
85.02957	41.0
87.00881	7.7
88.85038	2.4
89.02451	46.8
93.03444	3.5
95.01363	9.7
96.96016	12.4
97.02974	9.1
98.21793	3.7
99.00886	31.2
99.04530	34.7
99.05157	1.5
100.49908	1.9
101.02449	71.5
109.06606	4.6
113.02463	70.6
113.62215	1.9
116.07202	5.6
119.03520	19.6
125.02457	43.9
131.03511	2.8
137.02522	5.3
137.09738	9.7
143.03506	19.6
149.04587	2.6
155.03502	5.2
161.04567	44.2
163.11325	2.2
166.09784	2.1
175.07704	3.0
179.03485	1.6
179.04024	2.2
179.05637	21.9
179.10783	30.1
185.04388	2.7
199.94307	2.0
202.49388	2.0
203.05618	6.2
205.12350	7.0
221.06575	3.1
223.13419	4.8
323.09830	89.8
324.10294	4.2
365.10919	16.7
405.13669	3.1
427.19659	2.8
493.22989	2.5
511.22061	2.5
529.22894	70.6
530.23260	7.4
547.23969	42.7
548.24188	6.8
571.24286	10.2
589.24982	3.4
590.25104	2.7
691.28168	54.8
691.39331	4.1
692.28015	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	691.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03452	27.8
58.00581	1.3
58.03809	1.4
59.01087	2.7
59.01385	52.9
62.78694	1.2
69.03475	1.6
69.57189	7.2
71.01387	40.9
72.11251	1.3
72.99313	2.0
73.02957	11.5
78.27741	1.1
81.03438	1.7
83.01408	5.6
85.02956	19.6
85.89915	1.3
87.00897	3.2
89.02451	27.3
91.05547	1.4
95.01416	5.4
96.96053	2.0
97.02975	1.9
98.22491	2.1
99.00897	3.8
99.04520	9.7
101.02450	38.3
107.05062	1.9
108.16143	1.2
109.02995	1.2
113.02456	32.0
119.03523	11.8
123.04539	1.2
125.02474	12.3
128.51178	1.4
129.02609	1.1
131.03529	1.8
134.03746	4.2
135.04553	6.7
138.06894	2.9
139.00404	1.4
139.07709	2.6
141.05589	1.2
143.03528	6.5
148.01694	5.4
149.04674	1.4
151.07695	2.5
152.08421	5.8
153.09206	10.8
154.02751	1.6
157.03781	1.3
161.04584	12.9
163.04008	14.4
163.11314	1.3
179.05592	11.7
203.05579	1.4
205.12363	11.7
207.03101	4.2
223.13484	2.8
239.05673	12.2
257.82751	1.4
310.78406	1.2
323.09885	4.3
348.65683	1.4
367.17606	4.1
385.18683	22.5
386.19083	2.3
393.18484	1.4
427.19727	5.2
529.22888	5.6
547.23969	100.0
548.24353	18.7
589.25067	16.0
590.24957	1.6
603.33112	1.2
615.64581	1.2
629.28064	1.4
691.28241	34.1
692.28656	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	691.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
57.03453	29.4
59.01385	60.4
68.03553	1.2
68.99564	3.8
69.03456	2.6
69.32993	8.4
71.01384	58.6
72.01733	1.5
72.99297	3.0
73.02957	10.7
75.00873	1.7
81.03461	4.0
83.01397	8.5
83.04996	1.7
85.02959	33.3
87.00883	5.7
89.02446	30.4
95.01403	8.8
97.02965	4.6
99.00894	16.2
99.04518	11.1
101.02450	44.3
109.02970	1.7
111.00882	1.7
112.98579	4.3
113.02459	45.0
119.03510	12.4
121.06556	1.7
125.02441	15.6
129.01968	1.5
131.03505	5.5
131.05054	1.3
133.22595	1.3
137.02435	4.0
143.03494	14.3
147.04648	1.3
147.08153	4.7
155.03442	2.8
159.03032	2.9
160.08960	2.7
161.04573	27.3
161.09744	2.5
163.11295	35.6
164.11658	2.9
173.04562	2.0
175.11264	16.6
176.11658	2.1
177.12817	1.7
179.03984	1.7
179.05563	10.4
185.04643	1.5
187.11343	7.5
190.10078	2.8
203.05638	5.8
203.10616	1.6
205.12340	66.6
206.12695	5.1
221.06706	12.2
245.06781	2.4
263.07816	2.5
305.97095	1.3
323.09851	100.0
324.10303	9.3
365.10889	19.3
366.11533	2.3
383.11951	40.4
383.16714	2.4
384.12433	3.6
385.18463	1.4
405.14362	2.6
425.12973	12.0
529.22833	22.9
530.23193	3.5
547.23999	19.9
548.24335	3.0
571.23645	2.5
691.28119	42.7
692.28418	7.7
696.45422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06722	1.5
53.61497	1.5
54.02691	1.4
55.01864	2.0
55.74199	1.5
57.03450	57.8
58.00578	1.5
59.01385	100.0
61.45754	1.6
61.98823	7.1
63.82736	1.8
71.01384	69.8
72.53071	1.7
72.99319	2.6
73.02943	23.5
78.31887	1.4
81.03453	3.1
83.01389	11.6
84.02182	1.7
85.02948	18.3
85.81441	1.7
87.00885	5.5
89.02448	41.9
95.01395	6.4
99.00867	3.0
99.04524	33.3
100.04871	1.6
101.01808	3.2
101.02451	54.7
104.23649	1.5
113.02461	26.3
119.03529	16.2
123.04540	8.9
125.02457	21.0
128.03555	5.0
131.03517	1.8
134.40286	1.4
135.04628	1.8
141.05630	1.7
143.03508	7.1
149.04610	2.4
152.76762	1.7
152.88075	1.5
161.04552	14.8
161.13364	14.5
170.08977	1.3
175.07661	3.4
179.05644	10.1
185.12607	1.6
185.22505	1.6
187.11328	2.0
205.12343	26.8
206.12695	2.5
247.13425	2.9
269.60818	1.6
279.89926	1.8
363.95599	1.7
367.17557	5.9
385.18680	90.6
386.19073	9.8
409.18622	4.2
427.19751	43.8
428.20239	9.0
451.19757	4.3
467.22864	20.6
468.23575	4.3
529.22968	31.2
530.23010	5.7
547.24170	15.2
548.23645	2.3
589.25446	3.3
691.27985	39.5
692.27667	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	691.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	21.6
59.01384	57.0
61.98829	11.1
62.36919	2.5
69.66816	9.8
69.67223	3.7
71.01382	43.4
72.63369	2.3
73.02946	9.1
75.00860	2.8
83.01395	8.9
84.02172	23.1
85.02973	17.7
87.00857	2.7
89.02439	23.6
95.01407	6.8
99.04535	10.5
101.02453	33.1
113.02458	44.0
119.03518	8.2
121.51172	2.4
125.02417	13.2
135.04567	3.2
143.03496	6.9
145.03003	3.0
158.75781	2.5
161.04498	15.2
179.05600	6.8
187.11317	3.1
203.05705	3.9
205.12335	26.0
207.72777	2.4
223.13391	27.1
283.22131	2.4
292.44913	3.0
304.25485	2.5
323.10071	3.7
337.16782	3.2
385.18704	8.7
397.49106	2.5
493.18317	4.5
498.57361	2.7
529.22412	3.2
547.23993	100.0
547.32306	5.0
548.24219	18.9
585.00983	3.1
589.25244	17.3
590.25812	4.9
691.28113	51.8
692.28192	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	692.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12151	20.2
59.01379	100.0
63.70433	23.0
69.67254	49.6
69.67652	64.5
74.23629	21.7
131.84547	21.0
194.67827	23.8
240.97514	24.0
271.12469	22.9
453.35803	25.3
497.63278	24.4
534.91730	29.3
704.03760	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52734	1.4
57.03444	6.6
59.01381	14.4
60.56782	1.5
61.98838	8.3
65.02019	1.5
71.01384	16.9
71.33430	1.9
72.99315	2.5
77.52794	1.6
79.49673	1.7
81.03458	1.9
85.02970	9.4
87.00885	2.0
87.90240	1.8
89.02452	7.4
95.01390	2.4
96.96003	2.7
99.00895	4.5
99.04532	4.6
101.02448	11.7
108.02222	1.6
113.02464	14.0
117.03468	5.0
119.03478	2.7
123.04523	2.7
125.02442	6.1
130.67033	1.6
132.02188	24.2
133.02977	3.0
134.03748	50.4
135.04590	2.6
137.02484	3.8
143.03493	2.2
145.02931	3.4
149.06136	9.4
160.01663	79.7
161.02315	6.6
161.04617	2.9
175.04012	100.0
176.04359	8.5
177.01955	2.5
178.02705	12.3
179.03465	2.4
179.05620	1.7
191.07060	3.6
193.03305	3.3
193.05069	64.0
194.05383	4.2
200.04837	3.7
216.04381	2.2
217.04964	4.4
224.09000	1.8
231.06667	3.4
235.06136	13.9
244.03848	2.4
247.06065	4.9
257.08331	4.0
259.06100	39.3
260.06519	3.5
265.07162	9.2
270.42093	1.5
301.07388	1.9
319.08200	15.1
320.08389	2.2
337.09265	10.3
499.14694	24.5
500.14737	3.4
513.14392	3.1
531.31549	2.3
549.25177	3.6
549.32953	6.7
693.28540	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	693.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	17.2
58.00594	1.7
58.73550	1.5
59.01382	56.4
63.14128	1.4
71.01391	50.8
72.99306	7.1
73.02944	7.1
83.01405	8.1
85.02965	10.4
87.00881	52.3
89.02447	22.6
95.01389	2.9
96.95999	1.5
99.00919	2.3
99.04530	11.4
101.02454	19.7
102.02800	1.5
111.00889	9.0
113.02443	14.6
113.34235	1.7
115.00385	73.8
119.03504	10.8
122.06187	1.9
125.02460	9.2
127.00376	3.1
129.10347	5.2
132.04510	1.5
134.06133	13.9
139.00404	8.6
143.03506	3.5
146.06122	2.6
157.01411	11.4
158.02464	6.2
158.06189	1.8
160.03957	2.2
161.04535	7.0
162.05582	3.3
164.07207	1.5
165.34561	1.6
175.02499	100.0
176.02994	1.9
177.89975	1.7
179.05603	6.7
186.05646	3.5
190.05119	25.3
191.05423	1.5
192.06703	6.3
200.03505	1.9
207.13879	1.5
218.04539	3.5
220.06154	2.9
230.04558	3.7
242.04689	1.7
277.15588	14.6
305.09412	2.6
309.08676	1.8
323.10220	2.1
324.10214	1.8
337.11887	11.5
339.13437	2.3
354.84836	1.4
369.19598	1.7
493.22754	2.5
501.18787	4.7
517.10559	3.2
517.18304	63.4
518.18475	11.1
519.20172	2.4
531.24274	3.8
543.16284	3.5
545.17950	2.4
547.19470	4.5
549.25513	12.3
550.25391	2.0
557.17706	5.7
559.18970	2.8
561.17047	2.2
575.19061	14.3
576.19177	2.8
577.20520	15.0
578.20770	2.4
593.19739	3.5
599.19171	2.2
633.19238	4.5
651.02789	1.7
693.29480	14.7
694.30170	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	693.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27259	2.9
55.01877	2.9
56.22068	2.6
57.03182	4.2
57.03452	57.7
59.01385	100.0
69.03440	2.8
71.01391	86.8
71.32531	3.1
71.32903	3.7
72.01732	3.9
72.99318	4.0
73.02952	20.2
73.04068	3.0
81.03471	3.3
83.01389	10.7
85.02956	25.5
87.00882	11.8
88.04046	6.3
89.02452	42.7
89.66644	2.6
95.01419	4.5
95.49734	2.4
96.00923	25.8
96.96039	3.2
99.00872	6.3
99.04532	47.4
101.02446	68.8
101.38701	2.7
113.02466	54.1
113.03619	3.0
114.01967	3.5
115.00394	22.7
119.03529	18.5
123.04496	3.4
125.02460	40.2
127.05148	10.5
128.03561	3.7
129.10359	3.9
132.03026	5.4
135.04501	6.5
143.03502	11.1
144.07787	3.5
145.06262	3.5
152.48409	2.6
158.06108	4.0
161.02510	6.7
161.04555	28.1
164.07239	3.2
165.05455	6.9
175.02507	9.9
179.05666	24.2
179.11934	5.3
187.72752	2.9
203.08253	9.6
212.01866	3.5
220.10910	5.0
222.12466	26.3
240.13547	9.8
277.15640	10.7
299.04324	2.7
369.19254	3.8
387.20218	11.2
444.22391	11.9
445.21426	2.8
459.13525	3.1
462.23785	20.9
505.25455	3.1
517.18054	8.1
526.41467	2.8
531.24573	20.6
549.25604	91.7
550.25702	12.7
559.25116	8.3
560.24139	8.3
578.24506	3.5
591.26544	8.6
592.27216	3.1
631.28619	3.5
657.24719	2.9
675.26385	29.3
693.29346	47.6
694.29681	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	693.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03452	29.1
58.00581	1.8
59.01384	46.7
61.98816	1.0
71.01386	35.9
72.99302	2.1
73.02940	6.4
75.84650	0.8
81.03458	1.9
83.01396	3.7
85.02956	14.5
87.00887	6.5
89.02448	23.8
95.01395	2.9
97.02911	1.0
99.00891	2.2
99.04519	12.2
101.02453	34.3
111.00863	1.7
113.02459	18.2
119.03516	8.7
125.02468	11.6
129.01947	1.2
131.03520	1.2
143.03517	2.1
149.25389	0.9
159.03061	1.6
161.04562	5.9
179.05653	2.6
181.45676	1.0
190.02731	1.2
207.13916	4.7
225.14941	1.6
284.28308	0.8
315.78461	0.9
369.19287	3.7
387.20203	6.1
404.87589	0.9
531.16064	1.8
531.24518	34.1
532.24854	5.8
549.25562	100.0
550.25800	16.4
591.26709	9.3
592.26874	1.5
631.29547	1.4
693.29883	36.6
694.29938	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	693.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48352	2.3
55.01896	3.6
56.71731	2.1
57.03452	68.3
58.00601	3.1
59.01387	89.1
61.98806	2.4
62.63771	2.4
63.48469	2.2
70.45175	4.4
70.45537	4.2
71.01389	70.3
72.99322	4.0
73.02950	16.5
81.03461	3.1
83.01392	8.4
84.02179	6.6
85.02959	18.1
87.00874	5.3
89.02452	45.3
95.01408	6.8
99.00881	4.2
99.04530	30.8
101.02454	64.2
113.02477	38.1
113.06145	2.2
119.03531	16.3
121.65779	2.1
125.02459	36.9
131.03532	3.4
143.03526	5.5
147.80913	2.6
151.11250	2.8
161.04575	17.6
163.65671	2.4
179.05630	8.7
189.12830	2.9
207.13924	27.0
225.14946	3.4
347.24005	2.2
351.18115	2.3
364.66104	2.5
369.19229	34.8
370.19586	3.9
387.15536	2.2
387.20190	11.3
411.20087	4.1
463.76770	2.2
480.42966	2.4
531.24414	45.7
532.25189	7.4
549.25574	100.0
550.25928	17.2
573.25549	3.7
591.26318	11.3
693.29816	72.9
694.30121	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	693.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03451	24.9
58.00564	1.2
59.01384	61.1
60.01694	1.0
61.98843	4.2
69.03439	2.2
69.95923	1.4
69.96342	2.1
71.01385	56.0
72.01722	0.8
72.99310	3.4
73.02955	7.8
81.03460	1.4
83.01389	7.2
85.02959	25.9
87.00904	4.4
88.04068	0.6
89.02454	32.4
90.02763	0.9
95.00823	1.0
95.01395	10.7
97.02948	2.6
99.00873	2.9
99.04523	8.1
101.02449	31.2
102.02764	0.7
113.02457	66.7
114.02800	1.5
115.04036	0.8
119.03510	12.5
119.04908	1.3
122.77996	0.8
122.82671	0.7
125.02458	11.6
128.03552	0.7
131.03500	1.6
134.03743	1.3
135.04465	0.9
137.02434	1.5
143.03493	7.2
145.02879	1.1
145.06149	0.6
149.04573	1.3
155.03499	2.0
161.02441	1.3
161.04565	21.1
163.04037	0.8
175.04065	1.3
179.05620	11.3
189.12778	1.3
190.02664	1.0
193.05043	1.7
203.05614	6.4
205.05077	1.0
225.14929	1.2
280.47623	0.7
308.61398	0.6
326.60226	0.8
337.09396	0.9
367.10336	2.1
370.35858	0.8
387.20102	3.7
388.20337	0.8
429.21570	0.9
491.23511	0.8
531.15088	2.0
531.24609	3.0
549.25543	100.0
550.25848	16.5
591.26642	17.1
592.27136	2.9
631.29425	2.2
684.81964	0.8
693.29724	40.2
694.30237	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	693.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08541	1.1
55.01879	2.1
57.03460	30.8
58.00603	2.9
59.01389	75.9
61.98838	2.7
69.01504	11.9
69.03477	2.4
71.01392	58.6
72.99312	2.8
73.02954	10.1
75.00895	1.2
81.03463	1.9
83.01416	6.6
85.02963	30.1
87.00898	2.7
89.02462	35.1
89.03024	1.7
95.01387	9.8
96.00910	1.9
97.02997	2.9
98.22614	2.3
99.00899	3.0
99.04527	10.1
101.02460	39.8
113.02469	81.5
114.02842	2.5
119.03545	13.5
124.15383	1.4
125.02485	14.0
131.03488	3.4
135.04611	1.7
136.32300	1.1
143.03557	7.1
149.04716	1.3
155.03549	3.1
161.02530	1.9
161.04584	23.3
161.63443	1.1
175.04050	1.2
179.05632	13.6
189.12840	1.6
203.05644	6.7
387.20334	4.0
418.59439	1.2
429.21799	1.5
514.69183	1.4
531.24542	2.6
549.25592	100.0
550.25909	14.1
591.26709	17.6
592.27222	3.5
631.29974	1.7
684.81628	1.9
693.29822	40.3
694.30139	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	695.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09815	0.4
55.62189	0.3
58.02969	0.8
59.01385	6.5
60.66752	0.4
70.02983	0.6
71.01381	2.0
71.30707	0.7
72.04565	0.5
80.05069	0.8
83.01398	1.0
84.04563	2.5
85.02953	0.8
87.00867	0.6
87.05644	3.2
87.29400	0.4
88.04044	5.1
89.02456	9.9
97.04086	1.0
98.02477	1.4
98.06121	1.5
100.04050	6.2
101.02457	3.3
102.05616	11.7
111.00883	2.3
112.04073	0.5
112.07660	0.6
113.07180	0.6
116.07202	1.2
119.03507	7.1
124.04056	4.7
128.03554	35.8
129.03885	1.0
129.09431	0.6
129.10350	9.3
141.06737	2.7
142.05107	5.7
146.04611	8.4
154.05095	1.2
155.08267	0.6
159.07774	1.9
160.06168	28.1
161.06653	0.9
172.12570	0.4
173.09351	0.7
191.02028	2.7
199.07281	5.1
220.08284	2.7
233.73254	0.5
245.11414	4.0
246.11671	0.5
255.90663	0.5
271.09277	1.2
278.74820	0.4
279.91220	0.4
289.10440	100.0
290.10803	7.6
365.63870	0.5
502.90262	0.5
581.60815	0.4
635.78052	0.4
695.26227	4.9
696.26483	0.9
710.44617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29256	0.5
50.86571	0.7
59.01137	0.5
59.01390	7.0
66.90403	0.6
69.73396	1.1
69.73799	2.2
71.01382	1.9
81.48930	0.6
82.02962	0.7
83.01380	0.7
84.04557	3.3
87.05658	3.5
88.04057	4.3
89.02455	11.9
97.04075	1.4
98.02491	1.5
98.06106	1.9
98.21784	0.7
100.04061	6.0
101.02449	4.2
102.05624	13.3
112.07678	1.0
112.24396	0.6
113.07198	1.0
116.07183	2.0
119.03523	8.5
124.04058	8.4
128.03551	36.9
129.03914	1.5
129.10358	9.4
135.15663	0.5
136.21202	0.6
141.06712	2.1
142.05109	6.6
146.04617	7.5
154.05045	1.4
155.08328	0.7
159.07770	2.0
160.06169	29.2
161.06429	1.0
163.83940	0.6
173.09380	0.8
199.07245	6.4
220.08296	2.0
231.27809	0.6
245.11432	4.1
271.09326	2.4
289.10431	100.0
290.10788	6.1
695.26611	5.2
696.26300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	0.6
59.01383	4.9
69.67509	2.5
71.01392	2.1
72.04533	0.7
80.05071	0.9
82.02972	0.9
82.43008	0.5
83.01410	0.9
84.04550	3.5
85.87614	0.5
87.05637	3.7
88.04035	5.4
89.02449	8.5
91.03043	0.5
98.06101	1.7
98.22486	0.7
100.04059	4.9
101.02448	5.3
102.05616	12.1
112.03973	0.6
112.07697	1.4
113.07214	0.7
116.07168	1.9
116.31179	0.5
119.03526	7.2
120.81516	0.6
124.04048	5.0
125.02422	0.8
128.03549	38.5
129.03871	1.1
129.10376	8.3
135.04526	0.7
141.06686	1.7
142.05096	6.8
145.24463	0.5
146.04611	8.2
147.04752	0.6
154.05101	1.2
155.08240	0.8
159.07726	2.1
160.06163	26.7
161.02423	1.0
161.06519	0.9
165.79459	0.6
172.04668	0.5
186.69611	0.7
191.59471	0.6
199.07262	5.3
220.08286	2.6
245.11383	4.6
271.09476	1.4
289.10425	100.0
290.10748	6.5
407.97287	0.7
546.71698	0.6
695.26257	5.2
696.26068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4658
Annotation	PA(18:2(9Z,12Z)/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
71.30798	7.7
78.95911	64.9
84.36535	3.7
96.34107	3.4
96.96967	10.1
120.64991	3.6
152.99596	44.9
243.32239	3.6
279.23325	100.0
280.23602	9.7
337.51871	3.6
415.22610	39.4
416.22742	5.4
433.23431	20.1
554.62073	3.6
695.46338	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	695.5082
Annotation	Petroformynic acid B
Peak:m/z	Relative Intensity
69.10791	3.5
69.11217	4.4
76.24754	0.9
77.07962	0.7
81.03466	11.9
83.05030	33.8
84.05335	0.9
93.71476	1.0
97.74590	0.8
100.07690	4.1
199.18161	6.8
224.17738	1.4
225.16164	7.0
243.17136	22.0
244.17276	1.2
309.21924	1.1
353.20819	4.2
451.32950	1.6
469.33743	7.8
695.50757	100.0
696.51038	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	35.0
61.98829	6.4
68.20842	4.1
68.70451	3.6
70.56744	12.0
71.01386	35.3
73.92262	3.9
78.95911	9.0
83.01374	7.1
85.02963	7.2
87.00858	7.4
89.02450	24.2
96.95996	6.5
97.02924	4.5
101.02486	23.0
113.02448	14.0
119.03514	9.6
121.69184	3.8
125.02436	12.6
143.03490	7.4
145.67378	4.3
152.99571	5.1
161.04582	6.4
179.05513	4.4
179.99394	4.1
235.08261	12.0
255.23299	83.4
256.23584	9.0
279.23154	7.2
389.54160	4.2
397.13498	100.0
398.13840	13.1
415.14456	28.1
649.90747	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	696.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55542	3.4
59.01375	33.2
68.45472	5.0
71.01393	30.2
72.62321	4.6
74.70320	4.4
78.95905	9.7
85.02975	9.5
89.02439	26.8
97.02955	5.5
101.02428	22.7
102.44073	3.7
105.13363	4.3
105.17939	3.8
109.66300	3.6
113.02439	9.9
119.03529	9.2
125.02461	10.7
128.14395	4.0
161.04507	5.1
235.08336	11.7
240.84814	4.4
255.23311	99.4
256.23743	10.1
279.23404	6.5
397.08646	8.4
397.13477	100.0
398.14032	9.8
415.14468	41.0
524.13446	5.7
586.04547	4.8
653.37555	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	699.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65684	3.2
57.80777	2.4
59.01406	5.4
67.08043	2.6
69.94845	13.7
71.01405	3.9
79.68292	2.8
89.02485	4.0
90.80671	3.0
95.01818	3.1
98.27687	2.8
109.02981	11.1
125.02448	4.5
133.02974	8.1
134.78676	2.6
135.04520	7.5
145.85167	2.7
149.02478	20.4
151.03958	4.4
159.04498	7.3
161.02477	17.6
170.43953	3.0
177.01961	100.0
178.02258	7.8
179.03569	5.5
195.02963	13.4
219.02734	3.1
229.90306	2.7
247.02428	4.4
259.06079	8.3
269.08307	5.3
341.08694	10.0
357.08389	56.0
357.21558	5.0
358.08633	4.2
375.07199	3.6
501.73492	2.9
629.06311	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	699.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42708	1.3
59.00179	1.0
59.01387	3.4
60.47271	1.1
69.06045	12.7
70.02985	10.2
71.01385	2.4
74.73715	1.2
89.02464	2.1
96.00931	17.9
103.74372	1.0
109.02972	16.7
110.58662	1.2
113.02512	1.0
113.03575	4.2
114.01172	1.7
114.01979	29.9
129.10355	12.6
131.04616	12.7
133.02962	17.3
134.03326	1.3
135.04546	9.6
135.65421	1.1
147.04547	3.7
149.06070	1.5
159.04521	6.7
161.02460	64.0
162.02794	4.4
175.04080	1.5
177.01970	4.1
177.05606	1.6
178.13486	1.3
179.03490	13.8
191.03487	3.4
197.16600	2.4
203.03455	1.8
209.23088	1.3
221.04614	1.7
225.16092	2.4
242.18747	42.3
243.19066	4.8
254.06053	1.7
269.08173	10.9
313.07162	2.5
341.08807	36.7
342.09088	3.6
357.21451	100.0
358.21741	10.3
373.08246	1.4
509.01260	1.3
655.45599	1.6
699.47711	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	699.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01379	6.4
61.98855	7.1
69.40222	11.1
71.01382	4.9
80.05119	2.0
82.03026	2.1
84.04548	4.8
85.02957	4.1
89.02458	2.3
96.00925	16.6
96.96036	2.4
98.02504	9.7
99.00890	1.6
101.02453	4.4
102.05622	37.3
109.01695	2.1
113.02466	2.7
115.08817	2.0
125.02521	2.2
127.05180	2.1
128.03563	100.0
129.03915	1.8
129.10365	34.9
130.08749	17.7
133.02945	2.1
135.04533	2.9
138.05670	4.4
139.08818	2.4
140.07208	3.2
141.06657	1.8
146.04620	32.6
147.04921	1.7
152.59235	1.7
155.08310	5.7
161.02521	2.8
161.04607	2.0
165.10370	8.4
166.08765	10.4
171.15024	4.4
179.03537	2.5
181.13597	2.2
183.11417	3.5
183.15068	4.5
191.08333	2.2
193.13492	4.2
197.12973	1.9
209.09354	11.1
211.14557	5.1
215.14131	7.1
228.17236	2.5
229.15631	3.3
241.12172	2.1
259.13202	1.8
289.55121	1.7
314.20862	5.1
316.12158	1.6
339.20706	3.1
372.95557	1.6
378.24438	1.6
390.06808	1.5
422.22888	8.5
463.29193	2.3
471.28323	3.5
507.28857	2.4
527.31189	1.5
533.26019	1.9
534.33423	2.1
551.27332	21.7
552.27985	1.3
552.34418	12.0
553.34784	1.8
569.28516	1.8
570.35388	2.9
604.76904	1.5
681.38348	96.8
682.38599	23.7
689.92499	1.7
699.39447	52.2
700.39563	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	700.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06393	1.3
59.01377	20.5
62.27523	1.3
64.91770	1.3
66.12119	1.2
68.63282	1.3
71.01398	10.5
71.31009	1.7
81.03461	3.9
85.02953	2.7
89.02467	16.7
90.68208	1.4
97.02959	4.5
101.02454	9.1
106.03024	2.7
108.04610	2.3
109.02937	2.6
113.02453	5.7
119.03484	7.0
123.04548	2.1
125.02459	100.0
126.02812	4.8
133.02957	4.5
134.02481	12.1
135.04514	7.2
143.03482	2.4
152.03548	12.0
161.02446	18.2
161.04616	2.3
169.01495	1.8
179.03453	3.9
179.05649	6.1
204.30751	1.7
217.00246	3.0
242.05792	1.7
251.32622	1.5
255.43846	1.7
256.98718	1.4
271.09915	2.7
314.08865	40.7
315.09030	5.2
341.08875	9.1
358.07861	5.8
359.07782	3.9
378.50314	1.4
434.49838	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	701.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27177	0.9
59.01372	2.4
68.52785	1.0
71.01392	4.8
101.02496	1.1
108.02186	23.4
109.02962	55.4
110.03288	1.9
115.00396	8.4
121.02945	6.3
122.03755	1.7
123.04530	4.5
129.41002	0.9
133.02963	18.2
135.04524	15.5
138.72279	1.0
146.03760	1.1
147.04529	2.7
148.05316	3.8
149.06090	14.9
161.02457	57.2
161.06087	17.8
162.02841	3.0
162.06680	1.9
163.07642	3.8
175.04105	1.3
176.04796	1.3
177.05565	2.7
179.03506	14.0
185.06133	1.8
203.03572	1.3
213.05608	3.8
226.06215	1.6
228.73518	1.3
241.05057	6.5
242.05850	71.2
243.06496	17.7
256.07074	1.6
269.08157	7.5
270.08496	2.1
271.09775	100.0
272.10086	11.1
315.08716	4.2
341.08823	24.8
342.09134	3.3
359.07739	89.8
360.08170	10.5
452.34570	1.4
541.08826	1.1
591.74103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	2.1
57.03452	29.5
59.01390	13.9
61.98809	1.3
69.66295	5.0
71.01388	10.4
73.02957	8.2
73.91485	1.0
75.00859	1.6
77.72102	1.2
80.51807	1.1
83.01418	2.9
85.06602	8.3
87.00867	2.4
89.02458	5.7
92.81279	1.1
99.04531	24.0
101.02453	15.5
109.02982	1.3
109.06583	2.0
113.02454	2.4
123.04544	2.6
124.98788	2.0
125.02457	27.9
127.07668	2.1
135.02950	2.1
135.04544	6.5
136.05357	1.9
137.09756	1.5
142.99892	14.0
143.03487	2.4
145.01428	3.2
148.46732	1.2
149.06134	1.3
156.91174	1.2
161.04543	4.1
161.05949	1.2
163.07599	2.8
164.08429	1.8
173.00938	2.8
173.06088	2.6
179.03429	2.0
179.10742	6.2
187.07645	2.7
188.08423	2.3
202.06305	1.4
203.10815	16.1
204.11287	1.4
205.08687	2.5
205.12358	1.8
215.10823	1.6
219.10214	2.4
221.11838	100.0
222.12158	9.1
365.16061	4.5
383.17111	48.1
384.17502	5.8
425.18204	37.8
425.23987	1.8
426.18594	4.6
465.21432	7.2
466.21844	1.4
527.21387	42.2
528.21863	7.0
539.12408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41436	0.4
59.01386	100.0
60.01724	1.5
65.19040	0.4
72.87160	0.4
73.01745	0.4
76.21027	0.5
78.95874	0.6
97.58110	0.5
206.82472	0.4
242.44620	0.5
279.96915	0.5
370.89767	0.5
437.12469	1.0
438.13397	3.1
439.13531	0.9
451.14816	0.8
452.14920	1.5
453.15509	0.7
455.09711	0.5
465.11850	0.7
470.12582	0.8
480.14496	1.4
481.15228	30.8
482.15582	8.8
495.16791	11.8
496.17422	4.2
497.18555	4.6
498.18631	1.2
514.15131	2.8
515.15472	0.6
523.15948	0.8
525.14185	1.2
539.15851	2.7
540.16638	7.0
541.16547	2.0
551.19342	0.6
553.17389	0.7
554.17877	2.5
555.18890	51.8
556.19177	15.3
567.18787	1.3
572.15576	14.3
572.24683	0.8
573.15704	5.0
586.17023	6.3
587.17474	1.9
609.19739	1.7
627.20880	0.8
641.22595	23.4
642.23096	6.7
701.24695	51.1
702.24945	20.3
702.37469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42155	0.1
59.01384	5.8
60.01723	0.5
61.98836	100.0
62.98551	0.3
70.43494	0.1
77.78468	0.1
95.61329	0.2
124.61066	0.1
137.44836	0.2
164.88448	0.2
171.13895	0.2
180.97836	0.2
369.11627	0.2
424.62662	0.2
470.13943	0.2
483.15860	0.5
484.15515	1.8
485.15753	0.2
498.17395	0.5
499.18106	0.3
500.19067	0.3
542.16821	0.3
543.17102	0.4
556.19019	0.2
557.19000	1.2
558.19092	3.6
559.19910	0.3
574.15637	0.3
575.15521	0.9
589.17694	0.5
644.22882	1.8
691.42474	0.2
704.24677	4.9
705.24567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
60.22290	0.9
71.01372	4.2
71.32018	1.0
81.03462	56.0
89.02477	1.8
100.88613	0.9
101.02447	1.4
108.91574	0.8
109.02964	1.5
112.68522	0.9
115.00241	1.0
115.19441	0.9
117.03422	1.1
119.05052	1.4
125.02390	1.5
132.02161	1.1
133.02971	25.9
133.30043	0.8
134.03375	1.5
135.04539	18.9
136.04851	1.4
139.16559	0.8
145.03023	1.2
147.58585	0.8
157.05077	15.6
161.02458	100.0
162.02792	7.8
175.03934	0.9
177.05527	2.0
179.03508	32.5
180.03967	2.1
201.01714	3.4
201.04102	3.5
203.03532	2.1
206.16251	0.9
221.04654	1.8
227.07166	2.3
239.07242	1.4
255.10370	4.5
256.10825	1.3
299.09293	3.7
323.07660	1.3
325.07306	0.9
341.08789	46.1
342.09088	7.8
343.08670	3.8
344.08728	1.0
363.07077	1.0
381.04968	0.9
503.14185	15.1
504.14175	3.1
505.14136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.7
56.33282	2.7
57.03460	31.2
59.01382	80.2
69.03465	11.8
69.09151	28.7
71.01385	76.0
73.02943	10.2
81.03458	3.6
81.10756	3.3
83.01400	9.8
83.64326	2.7
85.02956	43.5
87.00895	5.5
89.02448	46.9
95.01392	15.0
97.02942	3.9
99.00884	8.6
99.04547	9.4
99.64804	3.4
101.02455	33.7
113.02457	81.6
114.02807	4.1
119.03534	15.5
125.02500	16.4
131.03531	4.4
139.05989	3.2
141.05095	2.9
143.03513	12.8
151.07635	5.0
155.03555	4.7
161.04579	37.8
161.09911	4.5
165.09213	5.6
179.05571	14.2
179.10805	23.0
191.91675	3.2
203.05646	10.0
203.10812	11.5
221.06650	7.4
221.11867	15.6
305.76880	3.0
323.09833	28.4
365.10999	5.1
383.12042	23.6
384.12216	4.1
401.18161	5.7
425.13199	7.0
545.22906	5.6
563.23486	100.0
564.23523	18.0
605.24512	17.0
606.24799	4.2
645.27325	4.1
707.27631	56.5
708.27686	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	709.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01380	3.0
61.98815	1.4
68.87372	0.5
69.09052	6.1
69.09377	1.3
69.31448	0.5
71.01402	3.0
74.02454	0.7
75.28823	0.5
79.35976	0.6
80.67441	0.5
85.02942	0.9
89.02469	1.3
93.03436	1.2
99.04491	1.1
101.02425	1.5
113.02426	0.9
117.02679	1.0
117.03485	17.6
118.03805	0.9
119.03463	0.7
119.05012	3.3
119.88357	0.8
125.02419	1.4
133.02933	2.4
135.04489	2.6
145.02979	0.8
149.02431	0.9
161.02467	8.2
161.04526	0.8
163.04012	1.2
173.02452	4.1
175.03934	0.8
179.03474	1.9
179.05553	0.7
185.02487	3.1
187.04027	3.6
189.01884	2.6
189.85797	0.6
197.02419	1.1
201.01936	0.9
203.03528	1.5
215.03476	2.6
215.89789	0.6
217.01468	3.3
235.07565	0.7
237.05759	0.6
241.01292	1.6
263.07098	1.2
269.09689	0.6
270.27435	0.7
293.04471	1.7
293.97025	0.7
297.07626	1.2
305.04437	6.8
306.05270	3.7
306.08325	0.6
307.06113	7.1
308.06549	1.1
309.07739	0.7
317.04556	0.8
335.05630	17.8
336.06036	2.2
338.04355	1.1
353.06805	3.2
355.03226	0.6
365.06747	7.6
366.07227	1.3
377.06717	0.6
383.07773	2.0
395.07742	0.9
402.33292	0.7
407.07703	1.1
425.08829	100.0
426.09143	13.4
455.09827	3.8
456.10040	0.9
485.12827	3.3
486.13748	0.8
545.13068	80.4
546.13391	14.9
563.14014	6.9
564.14484	0.8
565.25598	0.7
654.83801	0.8
662.25842	0.7
709.28662	1.1
710.40900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01380	3.0
61.98815	1.4
68.87372	0.5
69.09052	6.1
69.09377	1.3
69.31448	0.5
71.01402	3.0
74.02454	0.7
75.28823	0.5
79.35976	0.6
80.67441	0.5
85.02942	0.9
89.02469	1.3
93.03436	1.2
99.04491	1.1
101.02425	1.5
113.02426	0.9
117.02679	1.0
117.03485	17.6
118.03805	0.9
119.03463	0.7
119.05012	3.3
119.88357	0.8
125.02419	1.4
133.02933	2.4
135.04489	2.6
145.02979	0.8
149.02431	0.9
161.02467	8.2
161.04526	0.8
163.04012	1.2
173.02452	4.1
175.03934	0.8
179.03474	1.9
179.05553	0.7
185.02487	3.1
187.04027	3.6
189.01884	2.6
189.85797	0.6
197.02419	1.1
201.01936	0.9
203.03528	1.5
215.03476	2.6
215.89789	0.6
217.01468	3.3
235.07565	0.7
237.05759	0.6
241.01292	1.6
263.07098	1.2
269.09689	0.6
270.27435	0.7
293.04471	1.7
293.97025	0.7
297.07626	1.2
305.04437	6.8
306.05270	3.7
306.08325	0.6
307.06113	7.1
308.06549	1.1
309.07739	0.7
317.04556	0.8
335.05630	17.8
336.06036	2.2
338.04355	1.1
353.06805	3.2
355.03226	0.6
365.06747	7.6
366.07227	1.3
377.06717	0.6
383.07773	2.0
395.07742	0.9
402.33292	0.7
407.07703	1.1
425.08829	100.0
426.09143	13.4
455.09827	3.8
456.10040	0.9
485.12827	3.3
486.13748	0.8
545.13068	80.4
546.13391	14.9
563.14014	6.9
564.14484	0.8
565.25598	0.7
654.83801	0.8
662.25842	0.7
709.28662	1.1
710.40900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01378	3.5
59.70073	0.6
61.81058	0.6
63.82704	0.5
69.73013	0.5
70.88617	1.4
71.01363	2.0
83.01368	0.7
85.02936	0.7
89.02439	1.5
93.03438	1.8
96.95988	0.8
99.04540	0.6
101.02429	2.5
113.02417	1.9
117.03473	16.6
118.03782	0.9
119.03497	0.5
119.05000	2.4
119.88352	0.8
121.02877	0.6
125.02425	1.2
127.05106	1.0
128.03471	1.6
130.08714	0.6
132.02135	0.8
132.05556	0.6
133.02962	13.2
134.03775	0.9
135.03525	0.8
135.04536	16.3
143.03563	0.6
147.04483	0.6
149.02345	0.6
149.06033	0.8
161.02454	46.9
161.04573	1.4
162.02757	1.7
163.04004	1.5
167.38989	0.5
169.89055	0.6
173.02451	4.8
175.03865	1.5
177.05539	2.3
179.03511	26.6
180.03871	1.1
185.02446	3.1
187.03996	2.9
189.01918	2.6
190.02638	0.7
191.03528	0.9
197.02441	1.5
203.03522	3.6
208.03716	0.7
215.03461	2.6
217.01395	2.4
221.04498	1.8
223.06105	1.0
234.06488	0.7
235.07686	0.6
241.01363	0.7
263.07065	0.7
264.37067	0.6
293.04688	1.4
297.07623	0.6
305.04572	7.3
305.61075	0.6
306.05252	4.7
307.06137	8.9
308.06424	1.1
315.06549	0.6
317.04578	1.5
335.05606	19.2
336.05823	2.0
338.04507	0.9
341.08762	12.5
342.09274	0.9
353.06863	1.2
360.89618	0.6
365.06595	8.9
367.10391	0.6
383.07745	1.1
407.07751	0.7
425.08798	100.0
426.09106	12.2
455.09586	3.9
508.99734	0.8
545.13025	78.6
546.13300	13.7
547.14539	9.9
547.22949	1.1
548.15198	1.4
563.13867	3.8
564.14337	0.8
565.25134	1.9
709.18872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.6
59.01382	17.2
68.89714	1.1
69.01022	1.7
69.01421	10.8
71.01388	17.4
72.99310	1.4
73.02940	3.2
83.01385	2.9
85.02969	6.1
87.00879	4.4
89.02442	9.2
90.13578	1.2
90.63659	1.1
93.03477	2.7
95.01412	2.7
99.04528	5.4
101.02440	13.7
102.02757	1.2
105.79890	1.0
108.95521	1.1
113.02460	12.3
114.02849	1.5
115.00363	4.0
117.03463	9.1
117.75274	1.2
119.03499	4.1
119.05024	2.4
121.02950	1.2
123.04518	1.5
125.02426	3.8
135.04543	6.9
135.08138	1.3
143.03494	2.1
147.04541	2.2
149.02426	3.1
149.06128	1.3
161.02412	4.1
161.04535	4.8
161.05948	1.3
161.07225	4.0
163.03990	2.2
175.02469	7.2
175.03990	3.1
175.08815	1.7
175.11211	1.2
177.01811	1.6
177.05531	1.5
179.03503	1.7
179.05647	3.9
179.10898	1.2
189.01913	1.7
189.06721	5.8
190.02667	1.6
190.05161	2.3
191.03529	3.7
203.03560	3.4
203.05730	1.1
203.08191	2.1
203.10791	1.2
205.05032	3.3
205.12407	1.2
215.03612	1.2
217.05161	1.5
221.04457	1.3
223.06129	2.0
253.08757	1.2
267.06689	1.4
268.07590	1.4
269.04373	1.9
271.13647	1.3
281.04678	2.1
282.05234	2.5
283.06134	5.0
295.06021	7.4
296.06723	4.9
297.07706	28.4
298.08087	3.5
307.06070	3.5
309.07529	3.1
311.05881	5.1
323.05725	7.4
323.12506	9.8
324.06451	1.7
325.07159	13.7
327.00186	1.3
328.05783	5.4
335.05667	3.2
337.07178	5.8
338.07385	1.2
341.06714	1.4
351.05185	1.4
353.06671	55.7
354.07083	7.2
355.08197	1.3
356.05255	2.0
365.06729	8.1
367.08246	3.0
383.07739	41.3
384.07999	4.7
395.07733	3.6
403.19473	1.9
413.08826	6.5
425.08804	4.5
443.09882	24.7
444.10196	2.7
473.10699	3.6
533.17938	3.9
547.15082	1.3
547.23615	2.9
565.24963	16.5
566.25305	2.4
593.20203	1.5
607.26038	2.5
619.16791	6.4
620.17755	1.5
649.17786	3.5
678.37347	1.3
691.18793	2.5
709.19678	100.0
709.28815	5.1
710.08911	1.8
710.20148	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43389	0.5
57.03464	0.9
58.00601	0.5
59.01386	3.7
60.82613	0.5
61.76960	0.4
71.01387	3.6
73.02912	0.7
85.02955	1.3
89.02473	1.8
93.25881	0.5
98.21769	1.7
98.27600	0.4
98.37025	0.5
99.04499	0.5
101.02447	2.0
109.02990	0.9
113.02485	0.8
117.03492	1.7
121.02953	1.3
123.04501	0.5
132.02174	3.0
133.02972	28.4
134.03845	2.5
135.04538	80.6
136.04863	4.4
137.02470	0.9
147.04530	1.0
148.05292	0.6
149.02473	5.6
149.06078	2.7
160.01717	2.1
161.02458	100.0
162.02805	5.1
164.04823	5.4
170.64221	0.5
175.00360	2.3
175.04008	1.8
177.05597	3.6
179.03511	67.1
180.03860	3.5
187.43326	0.5
190.02740	6.3
191.03346	0.7
193.05067	0.8
203.03497	3.9
205.05060	10.9
208.46048	0.5
221.04597	3.0
223.06140	4.8
224.06366	0.5
229.42941	0.5
233.04398	0.6
238.00482	0.5
251.05769	0.8
281.06628	1.9
297.09891	1.0
323.07684	6.2
324.07977	0.9
341.08777	28.6
342.09030	2.8
367.10345	21.9
367.15005	1.0
368.10678	1.9
403.19861	2.2
445.20142	0.7
454.33121	0.5
461.83322	0.5
467.20377	0.6
485.12640	0.6
503.15536	19.4
504.15735	3.7
529.13660	8.8
530.13843	2.5
547.14728	15.5
547.23523	2.3
548.14984	2.4
571.14697	1.2
625.25598	0.5
699.05408	0.6
709.19434	4.3
709.39001	0.9
710.19995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04781	1.2
52.16100	1.3
60.45354	1.3
61.98820	1.1
62.57738	1.0
73.02940	1.3
97.55975	1.2
98.21822	3.3
122.07362	1.1
137.51498	1.1
141.97672	1.2
202.40228	1.3
229.23610	1.3
452.14929	1.9
481.15283	5.9
482.15240	1.7
495.16580	10.3
496.17255	2.4
508.17703	1.8
536.17267	1.9
539.16028	1.8
540.16333	3.1
551.19507	31.5
552.19812	11.2
554.17725	2.0
572.15466	3.2
573.17053	2.4
586.16998	2.6
587.20630	1.3
595.18329	8.1
596.18738	1.7
617.16614	3.9
627.21014	100.0
628.21265	30.2
649.18854	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	709.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03453	32.2
58.00584	1.6
59.01385	49.3
65.50602	1.7
69.03468	2.2
69.89177	5.6
71.01387	44.7
72.01702	2.2
73.02962	9.0
81.03464	2.2
83.01410	5.7
85.02955	20.8
87.00898	2.6
89.02450	26.2
95.01395	3.0
99.00894	4.1
99.04525	15.5
101.02459	42.5
107.44884	1.7
113.02462	26.5
114.33419	1.5
119.03517	9.5
125.02457	19.0
125.97218	1.5
131.03490	1.8
134.46611	1.7
143.03535	6.1
144.04027	1.7
144.66971	1.7
147.08188	2.8
161.04584	14.5
163.11253	2.4
175.02509	1.7
175.07703	4.7
179.05659	9.7
189.09235	4.6
203.05627	2.2
205.12369	20.4
206.12697	2.1
222.08829	2.4
223.06119	2.5
223.13400	6.0
237.74345	1.8
242.27094	1.7
295.08063	2.0
323.09726	2.6
363.06342	1.6
367.10449	1.8
403.19629	4.1
547.23883	8.5
565.25037	100.0
566.25415	18.3
607.26263	14.8
608.26410	2.7
615.75140	2.1
709.29108	23.4
710.29645	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42472	1.8
57.03453	60.9
59.01386	100.0
60.01738	1.9
69.06007	1.7
69.50436	12.4
69.60781	1.9
71.01388	68.1
71.40211	1.6
72.99311	5.6
73.02961	16.0
81.03481	4.4
83.01402	6.1
85.02965	18.9
87.00901	4.5
89.02454	66.1
90.02805	2.2
95.01404	5.3
99.00881	4.1
99.04528	48.1
101.02456	63.6
101.21388	1.8
113.02470	41.6
114.02779	1.8
119.03508	23.1
123.04527	2.3
125.02470	51.0
131.03525	2.6
143.03519	10.3
149.02477	2.9
149.04564	2.8
151.07706	2.7
152.08482	1.7
153.09201	3.4
155.40402	1.8
161.04564	18.8
179.05658	21.0
190.02785	3.4
201.39774	1.7
205.12355	5.3
222.08144	2.9
223.06087	2.3
223.13428	2.2
294.87534	2.0
367.08075	5.8
367.17105	2.5
403.20087	3.1
547.23950	29.1
548.24365	6.0
565.25085	45.6
566.25403	11.0
607.26080	6.8
691.87128	2.0
709.19653	2.3
709.29474	32.8
710.29810	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	711.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19777	0.5
57.03447	0.9
59.01386	7.3
71.01393	4.2
71.32026	1.0
72.00908	0.8
74.02481	2.4
85.02969	1.2
89.02438	3.2
93.03421	0.9
95.03790	0.7
96.00909	2.1
96.96018	1.1
98.02462	0.9
101.02460	2.5
104.03565	1.9
113.02461	2.0
113.07230	0.8
117.02659	1.3
117.03481	18.4
118.03802	1.0
119.03540	2.0
119.05038	11.2
125.07223	0.8
128.03481	0.9
129.10352	1.4
133.02954	1.3
133.06538	1.2
134.03758	0.7
141.10356	1.3
143.03519	0.6
145.02969	100.0
146.03287	6.0
151.08839	0.7
153.06717	1.2
159.04561	1.0
161.04724	0.8
161.06090	2.0
163.04024	16.0
164.04378	1.1
173.09305	0.8
179.05553	0.8
187.04018	4.9
195.07857	0.7
205.05067	2.0
223.07698	4.6
236.07233	0.7
237.09251	3.2
238.09702	0.8
253.08649	1.4
265.07208	2.0
270.10931	1.1
271.10013	1.5
283.09689	3.1
309.07751	3.1
323.09982	0.8
325.09290	45.9
326.09628	5.1
327.08646	5.1
356.82703	0.6
371.26987	0.9
667.34137	9.1
668.34766	1.7
711.30389	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	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62123	7.7
59.01375	21.0
70.88557	15.1
71.01379	14.2
89.02442	9.3
101.02427	14.2
135.74763	6.2
174.94606	6.5
277.21689	44.6
360.60178	6.8
397.13538	100.0
398.13846	9.4
415.14539	29.9
512.07843	7.5
581.28900	7.1
711.33508	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74381	3.3
59.01379	20.9
70.94338	9.6
71.01381	11.4
87.00940	3.7
89.02449	19.4
101.02460	11.3
105.55420	4.7
113.02467	12.5
115.21746	4.1
122.06584	3.5
235.08246	11.1
277.21686	50.1
278.22083	4.5
333.00424	4.6
354.73978	4.4
364.65662	4.0
393.01224	4.0
397.13525	100.0
397.18494	4.0
398.13757	8.5
400.01501	4.2
415.14581	29.4
479.58853	4.9
526.81665	4.1
675.36090	11.7
711.33740	35.9
712.34180	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	713.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04989	1.9
57.03453	83.5
59.01383	100.0
61.70419	2.0
61.98838	12.1
62.00314	2.2
71.01392	29.5
71.16162	3.0
72.99303	2.3
73.02948	8.6
82.89977	2.1
83.01385	13.0
85.02967	11.0
89.02466	8.3
97.52467	2.0
99.00944	2.4
99.04524	97.9
99.20100	2.0
101.02459	39.0
109.02913	2.5
113.02466	15.9
119.03517	4.0
125.01547	3.2
125.02450	46.8
132.39117	2.0
133.02974	14.6
134.03793	3.8
135.04524	10.1
143.03522	8.4
149.23569	2.5
153.06610	2.4
161.02464	41.4
161.04541	13.4
173.82281	2.2
176.49091	3.1
179.03510	8.0
179.05789	4.3
188.41470	2.2
193.05127	2.7
203.05624	7.2
371.20874	4.9
413.21552	14.5
455.22818	4.3
515.24982	96.6
516.25140	18.0
517.13861	3.6
713.28046	8.2
713.47864	28.3
714.39807	8.7
726.84912	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	713.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55912	3.4
59.01388	12.1
61.98834	6.0
71.01399	10.6
89.02444	11.3
101.02450	6.7
119.03535	6.4
188.63301	4.1
228.85240	4.3
235.08313	8.3
241.80782	3.8
246.84378	3.2
253.40131	3.3
269.53763	3.3
279.23337	42.9
280.23679	8.2
284.87555	4.0
287.07501	4.1
397.13501	100.0
398.13928	7.4
415.14539	29.6
460.70602	4.2
545.34161	4.3
578.89624	5.5
619.25494	3.9
677.37878	6.2
713.35522	31.8
714.35632	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	713.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14836	1.0
59.01361	1.4
63.55312	1.1
68.32937	1.1
99.33248	1.0
102.63239	1.1
104.51456	1.0
105.30649	1.0
107.24282	1.0
151.98537	1.2
413.46878	1.1
521.76270	1.1
677.50079	3.3
713.47443	100.0
714.37488	1.3
714.47662	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90673	0.3
59.01372	0.5
61.15600	0.3
61.98840	0.7
65.85123	0.3
66.03484	0.4
69.13728	2.6
69.16856	0.3
72.27081	0.3
89.38372	0.3
100.07719	0.3
114.09223	0.3
114.75805	0.3
115.08771	5.4
116.07193	7.0
128.03526	0.4
129.10353	0.8
130.08748	54.9
131.09082	2.4
147.04523	0.5
167.11905	2.6
168.13937	0.4
169.13451	2.2
171.15056	2.0
185.16606	10.4
186.16830	0.6
195.15083	0.5
197.12970	7.7
211.14507	0.6
214.15726	0.4
229.15530	0.9
242.80174	0.3
273.16943	1.1
284.23462	12.4
285.23706	1.5
327.08630	0.4
327.13315	0.4
328.22418	100.0
329.22739	11.5
404.48892	0.3
714.35492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40441	14.4
59.26779	13.7
61.98813	24.4
62.30560	13.3
69.49210	100.0
75.01209	14.9
77.00793	15.0
89.02467	19.3
154.43095	14.0
235.08234	20.3
281.24756	27.6
397.13644	71.2
415.14609	19.3
711.19861	16.0
715.36761	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.44090	1.3
78.95926	0.5
87.95313	0.4
98.22557	0.4
115.85616	0.4
194.26578	0.5
239.94223	0.4
518.44312	0.4
573.31219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42434	0.9
61.98833	100.0
63.51574	1.0
71.31105	0.8
71.31648	1.7
72.78469	1.1
88.20636	1.0
119.33270	1.0
140.61482	0.9
159.52957	0.9
342.53149	1.1
460.12775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79453	1.7
59.01383	37.8
69.03446	2.5
71.01384	32.3
72.99315	2.8
73.02944	4.5
74.61771	2.0
82.77109	1.8
83.01398	4.5
85.02950	6.7
85.04126	2.3
87.00877	6.8
89.02449	31.3
93.44447	1.9
95.01409	2.6
97.02946	5.2
97.53460	1.9
101.02438	24.4
113.02483	11.3
119.03504	8.4
125.02428	12.0
133.05083	1.8
141.34398	1.8
143.03514	5.9
151.69408	2.1
161.04565	5.9
179.05612	5.8
221.06665	3.5
235.08252	12.0
238.17679	2.2
253.09204	3.4
277.21735	80.5
278.22043	10.5
287.07828	2.4
305.08768	4.9
397.13525	100.0
398.13867	9.7
414.82428	2.2
415.14539	36.5
416.14963	6.2
481.70892	1.9
552.99988	2.0
672.08203	2.0
719.49036	2.1
720.09039	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	718.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01386	41.0
69.77205	2.4
69.77621	4.5
69.93264	1.2
71.01029	2.0
71.01392	26.8
72.99298	2.5
73.02940	4.7
75.87083	1.2
82.83714	1.0
83.01387	3.6
85.02982	6.1
87.00891	5.7
89.02000	1.0
89.02461	26.1
95.01402	1.3
95.95750	1.1
97.02959	3.8
98.91665	1.2
101.02455	23.4
113.02451	10.9
115.55845	1.6
119.03515	8.0
125.02478	10.1
131.03514	1.4
143.03516	4.0
161.04596	6.6
179.05688	5.9
183.91603	1.2
221.06682	3.4
235.08224	12.7
253.09322	2.7
270.55554	1.1
277.21762	77.6
278.22092	10.4
287.07663	2.6
288.08078	1.5
305.08728	4.1
323.09921	3.2
397.13559	100.0
398.13922	10.0
415.09296	2.4
415.14594	31.7
416.14929	3.0
502.20135	1.6
675.35278	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	719.16
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57558	0.6
57.03909	0.4
59.01394	3.9
69.49675	1.3
69.50105	1.8
71.01373	1.4
79.48267	0.4
83.72067	0.5
85.02965	0.5
88.36617	0.5
89.02451	1.7
95.58540	0.4
98.21773	0.5
109.02951	2.0
119.03545	0.6
121.02985	1.0
132.02188	0.5
133.02972	20.9
134.03319	0.9
135.04538	18.6
136.04829	0.6
149.06094	3.8
161.02455	100.0
161.06116	2.0
162.02800	6.7
175.04066	0.9
177.05565	1.8
179.03511	27.3
180.03900	1.5
191.32176	0.5
203.03519	2.1
221.04555	1.6
225.05766	0.6
242.05878	1.3
243.06639	13.2
244.07016	1.3
251.05707	0.9
255.06709	0.9
271.09790	1.7
281.06668	1.3
297.07785	2.4
315.08847	4.2
316.09128	0.7
341.08829	66.3
342.09195	6.4
349.84900	0.5
357.09622	0.8
359.07739	6.0
360.08231	1.1
484.20532	0.5
521.13214	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	720.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81266	0.6
55.01878	1.0
55.84877	0.5
58.00597	2.0
59.01389	30.8
61.98831	2.1
69.03459	1.3
70.94621	0.6
71.01393	27.9
72.99318	2.3
73.02947	4.3
75.00888	0.7
81.03465	1.2
83.01394	3.1
85.02969	7.4
87.00888	6.3
89.02457	26.6
95.01421	2.0
97.02962	4.5
99.00916	1.6
101.02453	23.1
111.00838	0.8
111.04530	0.7
113.02461	10.9
115.04057	0.8
119.03532	8.5
121.03065	0.8
125.02480	9.7
131.03491	0.8
133.05049	1.2
139.04036	0.8
143.03513	5.4
149.04613	1.0
152.92966	0.6
161.04572	5.4
167.03592	0.8
179.05620	5.5
179.06874	0.6
221.06694	1.4
235.08243	13.0
236.08786	1.1
245.06660	0.6
247.24571	0.7
251.30531	0.7
253.09320	2.9
263.07690	2.0
277.09311	0.7
279.23325	90.0
280.23685	10.0
283.21738	0.7
287.07715	2.7
305.08847	5.1
306.48712	0.7
323.09933	1.7
353.85086	0.8
397.13535	100.0
398.13925	10.1
415.14600	33.7
415.20227	1.2
416.15021	3.6
553.41083	0.6
677.37567	1.5
707.25531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	1.9
59.01386	32.7
69.03452	1.4
71.01393	28.2
72.99309	2.1
73.02942	4.4
81.03459	1.4
83.01395	2.9
85.02957	6.2
87.00871	6.6
89.02458	26.9
95.01391	1.5
97.02953	5.9
98.21821	3.5
99.00863	1.7
101.02460	20.8
113.02467	9.2
119.03523	8.8
125.02476	9.9
139.03996	1.3
141.01976	1.5
143.03493	3.9
157.18645	1.3
161.04552	4.4
179.05600	5.3
221.06554	2.2
235.08243	12.3
253.09229	2.6
279.23312	84.4
280.23648	10.5
287.07813	2.8
305.08755	5.8
323.10010	1.7
397.13516	100.0
398.13834	8.4
415.14569	29.7
416.14865	3.6
677.37646	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	720.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	3.8
83.05034	9.9
84.05377	0.2
92.91534	0.2
98.22538	0.4
99.69271	0.2
108.04601	0.4
115.31755	0.2
117.29929	0.2
121.30065	0.2
125.07207	0.5
126.05657	0.2
143.08276	0.4
143.74036	0.2
169.88457	0.2
192.28650	0.2
207.15038	0.8
224.17685	1.7
225.16093	9.4
226.16359	0.7
241.15915	0.2
242.18692	0.6
292.51166	0.2
309.21921	0.5
324.26593	0.4
333.23004	0.3
341.29086	0.5
342.14178	0.2
367.26950	1.0
433.31940	0.7
450.34558	0.7
451.32953	5.5
452.33118	0.9
550.43457	0.8
551.43365	0.3
557.62219	0.2
559.39539	0.3
565.44220	0.3
573.80896	0.2
593.44324	0.3
659.48962	1.1
660.48737	0.2
677.49707	100.0
678.50006	29.6
720.50098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53671	0.4
57.03450	4.7
59.01375	2.8
59.21239	0.4
61.98811	1.1
63.02401	1.1
70.67136	0.7
71.01372	1.9
81.03454	0.5
83.01383	0.8
85.02943	0.8
89.02462	0.9
99.04491	0.9
101.02444	1.8
107.01407	1.2
113.02412	1.3
117.03491	2.4
119.05034	0.5
125.02452	1.2
133.03026	0.4
135.04536	1.1
143.03517	0.5
144.47029	0.4
149.02463	0.8
151.00366	1.0
159.04500	1.4
161.02415	1.6
161.04645	0.8
196.05281	0.9
197.06042	0.5
225.05577	1.4
239.03487	0.6
240.04144	0.7
268.00876	0.9
268.03775	18.3
269.04550	100.0
270.04886	10.9
276.07330	0.4
405.44611	0.5
577.15631	30.3
578.16034	6.8
595.33929	0.6
619.16699	25.2
620.17029	5.2
659.19800	7.8
660.19928	1.8
677.49634	1.3
678.49860	1.5
721.34515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67787	2.9
57.22329	2.6
58.00604	3.6
58.68633	2.6
59.01386	35.6
59.85748	2.6
63.70845	3.0
68.76679	2.8
69.02444	2.9
69.02776	34.0
71.01096	2.7
71.01393	34.1
73.02972	5.3
83.01390	4.4
85.02953	5.5
87.00858	3.9
89.02454	32.8
93.35294	2.6
96.03887	2.7
97.02934	4.9
99.00912	4.1
101.02444	28.5
104.43642	2.9
112.44849	2.6
113.02459	10.8
113.64365	3.1
114.83582	3.0
119.03526	8.1
125.02433	10.0
132.31514	2.8
143.03557	4.7
161.04558	3.9
178.89943	3.3
179.05565	5.1
179.14272	3.1
209.11710	5.9
234.04379	2.6
235.08228	10.9
277.21707	3.7
281.24869	100.0
282.25168	9.6
397.13504	83.6
398.13907	11.0
404.21985	3.1
415.14670	25.0
428.73663	3.8
451.37662	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	723.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59160	1.2
52.12893	1.3
53.67600	1.4
57.03451	2.0
59.01382	13.4
59.23062	1.3
59.65796	1.3
61.98837	15.3
69.21221	9.8
71.01396	16.6
72.08522	1.3
72.99331	1.6
73.02964	1.3
79.46500	1.2
82.95431	7.1
83.01389	2.4
83.05564	1.6
85.02959	9.5
87.00894	2.7
89.02449	11.0
99.00916	3.6
101.02449	8.0
101.17481	1.5
108.02187	2.8
111.00936	1.4
113.02464	14.3
119.03503	5.2
119.05097	1.3
121.02985	3.4
123.04543	3.5
125.02463	4.7
132.02188	27.0
134.03748	34.9
135.04300	1.7
137.02481	2.0
143.03531	2.7
143.92525	1.5
149.02461	21.9
149.06129	2.8
157.47250	1.6
160.01672	84.2
161.02078	5.6
161.04556	3.6
163.04008	2.9
164.04787	19.6
171.04500	1.4
173.84505	1.4
175.00409	3.7
175.04015	100.0
176.04460	3.9
178.02766	4.5
179.05617	3.3
179.07133	3.8
179.63531	1.4
190.02737	22.3
191.03287	2.3
193.01450	3.2
193.05080	28.7
200.04866	3.9
205.05083	24.1
206.05681	3.3
208.03793	10.3
216.04291	2.5
217.05020	2.2
221.08263	2.2
223.06134	40.4
224.06447	2.3
244.03769	2.4
247.06198	4.4
250.04953	1.6
259.06134	38.9
265.07190	18.2
266.07443	2.0
277.07321	1.5
287.09296	3.2
287.77872	1.5
289.07245	6.3
295.08252	11.5
319.08182	3.1
325.20264	3.1
349.09323	16.5
367.10272	11.4
368.11075	2.1
409.11368	2.1
499.14731	2.2
529.15680	31.2
530.16040	3.8
543.15094	2.5
606.98596	1.6
638.66370	1.9
723.30505	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	723.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
57.03455	100.0
58.00608	3.3
58.03782	3.3
59.01389	83.5
61.98830	6.6
69.04714	27.0
71.01392	83.0
72.99308	7.7
73.02949	17.1
81.03489	3.0
83.01388	10.4
84.02209	2.8
85.02971	20.6
87.00888	63.3
87.05668	2.4
89.02454	35.7
95.01405	6.4
96.96010	4.6
98.21810	5.4
99.00889	2.5
99.04533	46.7
99.05558	2.8
101.02454	64.2
110.02470	2.5
111.00904	5.3
113.02471	28.4
119.03513	22.3
119.04928	3.3
123.04527	4.5
125.02478	29.2
127.07718	2.8
129.01984	7.9
131.03534	2.8
133.03011	2.5
135.04509	4.1
141.09229	4.6
143.03555	6.0
143.04681	2.7
159.02989	2.6
161.04596	34.6
163.07689	3.6
165.09244	2.5
175.02437	3.5
175.03989	3.7
179.03714	2.5
179.05588	7.5
179.07063	4.7
179.10811	5.0
193.05034	4.7
201.09203	6.0
219.10316	15.2
221.11812	5.2
270.00854	2.5
381.15710	5.2
399.16415	3.1
416.67679	2.7
417.17612	18.1
455.10040	3.3
516.23511	2.7
545.13348	14.0
561.22247	16.0
562.22345	4.7
579.22858	37.3
580.23248	7.7
621.23846	6.8
723.27075	87.0
724.27563	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	724.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	3.1
65.65057	1.9
66.03478	5.8
68.07393	2.4
69.24447	5.3
69.24851	12.9
83.06107	2.6
87.05650	17.8
89.10040	2.4
91.91648	2.1
113.07230	10.4
114.05609	22.5
116.05082	5.9
129.06702	13.8
134.51540	2.4
136.05190	4.5
167.04648	2.6
182.13007	8.4
183.22017	2.2
186.55429	2.3
193.09853	2.6
198.14697	2.1
200.07195	6.9
208.20053	2.2
210.12502	25.4
211.10925	31.3
211.12805	4.0
212.11194	2.8
217.14482	2.3
243.11478	6.4
252.14603	5.0
274.80804	2.3
307.17914	2.6
347.63959	2.3
378.25208	6.4
464.26321	9.1
682.52966	2.4
724.37952	100.0
725.37903	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	725.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
61.98831	1.8
70.36034	1.4
70.36401	1.5
71.01385	4.3
72.99313	0.8
73.04105	0.9
74.02497	1.0
89.02468	2.0
93.03489	3.3
96.95989	0.9
98.02505	1.1
101.02479	1.3
109.02962	0.8
109.04064	1.1
113.02436	0.9
113.07192	1.6
115.00391	5.8
117.03490	20.1
118.03815	1.5
119.05057	1.4
119.88445	0.9
125.02468	21.4
127.05130	2.2
128.03535	2.1
133.01454	8.8
133.02977	1.0
134.03748	2.9
135.04552	30.9
136.04846	1.1
145.06238	3.5
149.02452	1.8
149.06108	0.9
151.04001	0.8
151.08752	0.9
152.03549	1.2
159.04509	0.9
161.02495	4.2
161.04492	0.8
163.04007	2.0
164.04877	0.8
172.10986	1.1
173.02454	5.2
175.04102	1.4
177.01938	4.6
179.03529	19.9
185.02512	4.4
187.04019	2.8
189.01938	4.1
191.03496	1.4
193.05063	2.6
195.03008	1.1
196.14622	0.9
197.02458	1.1
201.01878	0.8
203.03502	2.0
208.49373	0.8
212.15259	0.7
215.03494	3.6
217.01462	3.4
217.04961	1.0
223.06032	0.9
241.01482	1.3
265.07242	1.2
279.06549	0.8
282.05264	0.9
283.06110	1.9
290.63760	0.7
293.04642	1.7
293.19821	1.4
294.04953	0.8
295.05820	1.4
296.07111	1.2
297.07666	7.4
298.07956	1.4
305.04544	7.9
306.05255	5.1
307.06094	10.6
308.06519	1.4
309.07687	0.9
311.05347	0.9
311.20819	1.0
317.04559	1.2
323.05676	2.6
324.06659	0.9
325.07144	3.0
328.05939	1.5
335.01782	1.5
335.05685	23.1
336.06006	4.0
337.07196	2.7
353.06744	18.8
353.10962	1.4
354.07108	2.9
365.06680	10.9
366.06915	1.0
377.06592	1.0
383.07712	15.9
384.08298	1.4
395.07730	2.1
398.73309	0.7
407.07901	1.0
413.08688	1.8
425.08841	100.0
426.09174	15.2
443.09793	2.7
455.09879	6.3
473.10944	5.9
474.11288	1.5
503.12442	1.1
545.13092	80.9
546.13422	15.4
563.14105	67.3
564.14471	15.5
635.14325	1.4
681.39465	11.9
682.39929	1.1
725.18738	6.4
726.18646	1.8
726.36487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71801	1.6
57.03439	3.8
59.01371	6.2
61.98822	4.8
63.90400	1.5
69.11178	4.9
69.11598	10.2
71.01366	5.6
74.02476	1.7
81.03465	2.1
83.05011	3.9
84.05338	1.5
85.02978	1.4
89.02421	1.5
93.03453	3.9
101.02450	3.0
102.47567	1.5
109.02946	1.8
113.02428	2.8
117.03453	14.6
119.05019	2.8
125.02440	4.4
128.03531	2.2
133.02919	4.2
134.03671	1.9
135.04541	25.2
147.04541	3.0
149.02440	2.7
161.02457	11.1
163.04013	2.5
173.02475	1.7
175.04018	6.3
177.02068	2.1
177.05579	3.1
179.03566	7.6
179.49153	1.8
180.04279	1.5
189.01915	1.8
191.03513	2.4
193.05089	2.5
203.03505	3.4
205.05081	2.0
215.03481	2.1
221.04526	2.0
225.16020	2.4
233.04500	1.8
245.04794	1.7
267.06699	2.1
268.07379	2.9
281.04419	3.4
282.05417	6.5
283.06039	9.4
295.06052	14.6
296.06793	6.2
297.07693	38.5
298.08066	5.6
307.06140	4.0
308.06747	1.8
309.07709	6.5
311.05698	9.2
321.04080	2.7
322.04672	2.5
323.05594	10.2
324.06161	2.7
325.07074	17.9
326.07608	1.7
328.05945	7.9
335.05692	5.5
336.06009	1.9
337.07095	8.2
341.06671	2.7
351.05072	2.6
353.06653	100.0
354.07010	9.9
355.08380	3.0
365.06677	14.2
383.07730	75.5
384.08075	10.9
395.07751	6.2
407.07474	2.4
413.08813	13.2
425.08820	9.6
426.09055	2.3
437.08661	2.8
443.09866	31.9
444.10156	5.0
455.10001	6.4
461.11856	1.5
473.10880	20.9
474.11295	2.4
485.11240	3.4
503.11929	5.4
545.13007	12.1
546.13171	2.6
563.13947	20.0
564.14465	3.3
635.14099	49.3
636.14502	15.4
665.14966	13.8
666.15741	2.5
677.49701	12.5
678.50171	32.9
679.50079	5.6
707.16260	6.3
725.17218	67.4
725.45630	11.3
726.17523	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	725.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.3
61.98823	1.4
62.99129	0.7
64.29541	0.7
70.14738	1.8
70.15150	1.4
71.01395	3.6
72.99255	0.7
73.02957	0.7
89.02435	1.6
89.03997	1.0
93.03473	3.7
101.02482	1.2
106.15137	0.8
107.05033	1.3
115.00395	3.6
117.03474	19.8
117.06360	0.6
118.03821	0.9
125.02457	3.1
133.01465	6.5
133.02936	1.7
134.03743	4.7
135.04541	71.6
136.04852	4.3
145.02936	1.3
149.02452	1.1
150.03549	0.7
159.04552	0.9
161.02458	5.7
163.04033	0.9
173.02448	9.9
175.04041	1.5
177.01955	0.8
177.05598	0.9
179.03513	39.7
180.03860	2.9
185.02498	2.9
187.04044	2.5
189.01967	3.8
191.03450	1.3
197.02435	2.6
203.03549	2.1
215.03539	4.5
217.01573	3.6
217.05003	0.8
223.10625	0.8
225.72731	0.8
227.03419	1.1
235.37346	0.8
236.08298	0.8
241.01427	2.2
245.04407	1.8
271.02637	1.4
279.06403	0.7
282.05252	1.1
283.06146	1.5
293.04599	1.6
295.06122	2.6
296.06665	2.1
297.07727	6.0
305.04471	6.8
306.05222	6.8
307.06036	9.2
309.07751	1.9
311.05704	1.6
319.06219	1.0
323.05658	2.8
325.07123	4.2
328.05792	2.1
331.04465	1.2
335.05600	36.7
336.05759	4.5
337.07233	2.6
338.04272	1.5
353.06662	21.7
354.07074	2.6
365.06674	9.3
366.06854	1.3
377.06799	1.9
383.07718	16.4
384.08133	2.3
393.08038	0.8
395.07648	4.2
407.07806	1.9
413.08835	1.8
425.08771	21.0
426.04047	0.9
426.09164	3.4
443.09808	23.9
444.10181	4.0
455.09830	46.4
456.10043	6.6
473.10968	6.4
485.11185	1.1
503.11868	1.4
527.12805	0.9
545.13013	100.0
546.13373	18.5
563.14038	66.8
564.14270	12.8
605.13068	2.8
606.13690	1.0
673.60364	0.8
725.17218	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	725.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01382	4.3
69.39386	5.1
71.01367	3.3
73.86417	0.6
89.02444	1.4
92.77628	0.7
93.03461	2.6
96.96048	0.9
101.02439	1.1
105.03440	1.0
113.02490	1.6
116.08211	0.7
117.03486	7.5
119.05051	0.9
122.49479	0.8
123.04531	0.9
125.02438	1.2
133.02962	2.9
133.06604	0.9
135.04526	4.3
138.63013	0.7
147.04483	0.7
149.02361	1.6
149.06052	1.2
159.04401	1.2
161.02409	3.9
161.06041	0.8
161.42502	0.8
163.04048	2.0
167.52220	0.7
173.06062	1.3
175.04021	1.8
177.01924	1.6
177.05620	2.1
179.03596	0.7
186.03246	0.9
189.02000	1.1
189.05586	1.2
190.02684	0.9
191.03474	2.1
203.03467	2.0
205.05026	2.0
221.04472	0.8
233.04530	1.5
245.04579	0.9
247.73759	0.7
253.08658	0.8
267.06622	1.0
268.07248	1.0
271.02737	0.8
281.04507	1.9
282.05396	2.8
283.06097	3.8
295.06131	7.9
296.06766	3.5
297.07690	24.9
298.08075	1.3
307.06198	3.5
309.04190	0.9
309.07721	2.4
311.05536	3.6
319.06100	1.0
322.04880	1.0
323.05750	4.3
324.06192	0.9
325.07114	10.3
326.07730	1.3
328.05881	3.8
335.05722	2.3
336.06100	0.8
337.07306	4.4
338.07596	1.0
339.08902	1.0
341.06769	0.9
351.05090	1.1
351.09097	1.3
353.06659	44.8
354.07077	5.8
355.08084	1.1
361.07202	1.5
365.06616	7.7
366.07010	1.1
367.08347	2.2
377.06821	1.0
379.08194	2.7
383.07721	24.3
384.08163	3.3
389.06601	2.1
395.07794	9.0
395.70880	0.7
396.08087	1.3
407.07718	9.5
408.08127	1.8
413.08981	4.7
425.08658	6.1
437.08716	1.3
443.09830	14.9
444.10159	2.1
455.09903	1.0
473.10925	8.9
474.11124	1.2
527.12073	1.3
540.66138	0.8
545.13104	4.7
546.13544	0.9
581.24506	0.9
605.15240	1.0
635.15942	2.1
657.78766	0.8
707.18109	1.1
725.19342	100.0
726.19580	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01372	2.2
59.76627	0.5
69.01980	1.0
69.02383	5.0
71.01383	3.0
71.98828	0.6
73.02940	1.2
84.96422	0.5
85.02960	0.7
89.02430	1.1
90.77034	0.6
93.03476	1.2
93.48888	0.5
95.01396	0.8
101.02447	1.4
104.03534	1.0
105.03454	2.1
109.02950	0.8
113.02484	1.3
117.03461	4.5
119.03536	0.6
119.05029	1.2
125.02458	1.3
133.02963	7.5
133.18126	0.6
135.04533	3.8
136.08669	0.5
145.02931	0.9
149.02454	2.1
153.52866	0.6
159.04510	3.1
161.02405	5.3
161.04558	0.5
162.03232	0.6
163.03973	1.7
174.36717	0.6
175.04027	2.8
177.01941	4.7
177.05640	0.6
178.02556	0.6
179.03503	2.4
185.02469	0.7
189.01915	0.9
191.03497	1.9
203.03470	3.3
205.01367	0.9
229.01459	3.1
245.04459	0.6
251.07228	0.6
253.05304	0.7
265.05014	0.7
267.06720	1.7
268.07416	0.9
269.04440	0.8
279.06516	0.5
281.04535	3.1
282.05347	5.7
283.06171	6.1
284.06631	0.7
294.05383	1.4
295.06131	16.5
296.06894	42.9
297.07504	12.0
298.08124	1.2
307.06110	4.1
308.07010	1.2
309.07706	1.9
310.08096	0.9
311.05844	2.9
311.08957	0.8
312.05988	0.6
313.10971	0.7
319.06033	0.7
322.04684	0.8
323.05634	11.2
324.06076	2.3
325.07098	4.1
328.06000	3.8
335.05621	2.0
337.07251	3.0
339.08817	1.3
341.06638	0.9
349.07242	0.7
351.05087	1.5
353.06638	18.1
354.07101	3.3
355.07965	0.9
356.05322	1.4
357.09793	4.4
365.06271	3.5
366.08875	0.6
382.07187	1.0
383.07727	20.3
384.08127	3.4
395.07788	2.3
399.10965	1.2
407.07813	0.8
413.08710	3.2
425.08743	2.3
426.09097	0.6
443.09821	3.4
473.10577	2.7
485.10538	0.7
486.26392	0.6
503.13272	1.2
515.11981	13.4
516.12347	2.5
519.14917	0.8
527.12292	1.0
545.13037	13.1
546.13531	2.5
563.14087	8.2
563.22003	1.1
564.14740	1.5
575.14319	1.0
581.24609	1.7
587.14502	1.1
605.14984	6.9
635.16095	4.4
636.16595	1.4
665.16797	0.9
707.18427	0.9
725.19324	100.0
726.19672	26.5
726.32501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01390	6.3
69.75826	5.0
71.01375	7.5
85.02937	2.4
89.02426	2.3
93.03479	2.8
95.01434	1.4
98.22555	1.0
99.00922	1.2
99.04539	1.5
101.02451	4.5
102.92178	0.9
109.02971	1.1
113.02473	7.9
117.03467	8.9
119.03487	1.2
119.05042	1.5
125.02466	2.8
135.04564	4.1
143.03452	1.1
145.02975	1.5
147.04520	1.0
148.66292	0.9
149.02466	1.4
161.02452	3.7
161.04596	2.3
163.03984	2.0
175.04019	2.7
177.05569	2.3
179.03534	1.5
179.05695	1.1
179.10847	2.0
189.01971	1.5
191.03520	2.5
203.03551	1.6
205.05191	1.0
210.81668	1.1
221.04576	1.3
223.07607	1.3
233.04582	1.7
267.06769	1.3
268.07703	1.2
269.04645	1.1
281.04672	2.4
282.05310	4.6
283.06134	4.9
286.26599	1.1
295.06116	7.1
296.06924	5.9
297.07666	28.0
298.08051	3.0
307.06247	3.6
309.07800	3.2
311.05569	5.9
323.05780	6.9
324.06128	2.8
325.07108	12.9
326.07291	1.2
328.06003	4.5
335.05621	3.0
337.07339	5.8
341.06689	1.4
351.05225	1.3
353.06677	54.5
354.07080	6.7
356.05179	2.5
365.06735	9.9
367.08075	1.4
383.07742	42.4
384.08249	6.6
395.08066	4.9
396.07947	1.3
407.07755	2.7
413.08731	6.3
425.08823	3.8
443.09875	30.3
444.10138	3.8
473.10992	5.9
503.39835	1.0
527.12061	1.3
581.24738	9.7
607.90692	1.1
623.25793	1.6
635.16376	5.2
665.16809	2.2
670.90417	1.1
707.17798	2.0
725.19324	100.0
726.19580	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	725.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34365	0.5
57.03450	10.7
59.01385	2.1
61.68343	0.4
61.98830	0.6
71.01392	3.4
73.02943	0.8
80.33202	0.4
81.07055	0.5
83.01376	0.6
83.05019	0.5
85.02962	1.9
95.05046	2.1
99.08164	48.3
100.08498	1.5
101.02467	2.0
105.03407	0.4
109.06608	1.1
113.02461	2.4
121.02993	0.4
123.04533	97.9
124.04843	4.0
127.07663	60.2
128.07997	3.1
129.05586	45.4
130.05927	1.9
138.03241	1.4
143.07143	0.7
153.05583	55.7
154.05925	3.0
161.04555	5.6
171.06635	12.4
171.08072	0.9
172.07051	0.5
189.07687	2.8
242.84753	0.4
285.09790	16.5
286.10165	1.3
304.25436	0.4
391.11975	0.5
439.16132	1.2
457.17172	100.0
458.17499	13.6
629.42029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85952	2.6
57.03457	3.4
59.01378	17.4
60.05659	2.5
60.46553	2.6
61.98834	14.3
71.01378	24.9
72.99304	2.5
73.02972	6.6
82.95454	2.7
83.01408	6.6
84.08096	2.4
85.02959	13.6
87.00882	100.0
89.02470	7.4
92.66196	4.2
97.02990	3.8
99.00895	3.8
101.02441	21.8
113.02453	9.0
117.03470	4.2
125.02525	3.0
130.99937	3.0
133.02968	3.3
141.76497	2.9
145.02972	10.5
161.02472	5.1
161.04597	5.1
163.04039	3.6
170.88441	2.8
171.46387	3.2
175.04126	3.0
300.92456	3.0
485.27707	5.2
487.28787	3.1
516.12018	3.3
593.35474	6.4
603.33807	6.9
623.32562	6.0
647.33075	23.7
665.33411	5.0
709.32611	8.1
727.33850	68.6
728.33978	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	730.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90194	3.7
52.35942	3.6
52.55179	3.8
57.88441	3.8
61.98821	7.8
69.06065	19.8
69.06496	24.9
73.23009	3.9
98.22607	8.2
99.92918	3.9
111.98291	3.8
112.56602	3.9
113.12189	4.0
171.10304	98.1
172.10611	6.6
177.31999	4.4
235.08418	7.4
245.52843	4.7
253.09387	6.4
273.24646	4.6
277.21735	100.0
278.22128	15.8
362.37640	4.6
513.30811	15.9
716.44196	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	731.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01387	5.4
61.82605	0.6
63.95336	0.6
69.00794	0.9
69.01193	6.0
69.03476	0.6
70.02969	0.6
70.84747	0.6
71.01390	7.7
73.02953	1.9
73.04117	0.6
83.01399	1.0
85.02946	2.0
87.05660	0.9
89.02444	4.9
93.03439	0.8
95.01414	0.7
95.59210	0.5
96.00949	1.7
97.02947	0.8
99.00928	1.0
101.02454	7.0
104.35539	0.6
109.02976	0.6
112.05193	0.7
113.02467	2.7
113.85532	0.6
117.03474	26.8
118.03781	1.5
119.03567	2.4
119.05040	35.2
120.05354	1.9
125.02454	1.4
127.05117	1.1
128.03549	1.8
129.10361	1.0
130.08748	5.6
133.06607	2.3
135.04546	2.2
136.75711	0.7
139.23370	0.6
143.03474	1.9
145.02963	100.0
146.03336	4.1
159.04456	0.9
161.04572	3.3
161.06087	3.4
163.04022	89.4
164.04361	4.5
179.03526	1.0
179.05585	3.5
182.15520	0.9
187.04016	9.0
188.04259	0.7
196.23082	0.6
199.18195	2.2
205.05083	8.5
221.06633	1.7
229.05043	0.9
243.14680	1.3
243.17044	7.4
244.17480	1.0
245.06644	1.0
255.10393	0.7
263.07663	2.0
289.07278	1.1
291.09720	0.7
323.09741	4.2
324.12103	1.1
354.13065	1.5
398.85953	0.7
427.12231	2.0
487.14615	23.6
488.15201	4.4
731.36670	4.3
732.35938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
58.24548	1.6
59.01385	40.6
71.01387	27.2
73.02953	7.0
83.01417	4.2
83.90546	2.0
85.02972	6.8
87.00887	5.4
89.02449	27.1
91.04043	1.9
95.01412	2.0
98.22507	5.3
101.02452	19.8
113.02465	10.4
119.03526	5.9
119.16799	2.0
125.02456	7.6
135.81784	1.7
143.03537	5.3
147.88049	1.7
148.29703	1.9
161.04593	6.2
179.05605	4.5
221.06665	2.1
235.08319	12.5
277.21722	75.3
278.22104	8.3
287.07718	2.4
305.08890	4.3
397.13510	100.0
398.13754	12.3
415.14581	35.0
416.14905	3.7
598.00085	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	738.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14243	0.2
61.98833	100.0
70.29379	0.2
71.33265	0.5
78.95918	0.3
81.66097	0.2
86.74664	0.2
87.01086	0.2
91.26556	0.2
115.55392	0.2
126.46806	0.3
238.89400	0.3
277.73804	0.3
279.23395	1.0
389.26172	0.3
422.42719	0.3
693.70184	0.3
738.50903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68512	0.4
58.02270	0.3
61.98834	100.0
70.81849	0.6
70.82195	0.4
72.82666	0.3
103.27438	0.3
118.82219	0.3
127.67897	0.3
140.03021	0.3
147.33813	0.3
152.99661	0.4
166.54167	0.4
244.82753	0.4
244.91716	0.3
279.23483	1.4
738.51489	0.5
767.88031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5086
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01382	2.2
63.93660	1.2
71.03381	1.2
71.30848	1.7
78.95450	1.6
78.95909	30.0
95.18386	1.2
96.96973	1.9
116.02434	0.9
142.96007	1.1
152.99600	23.8
184.46135	1.2
220.99399	1.1
279.23318	100.0
280.23630	10.1
296.44986	1.1
415.22269	1.1
458.26968	3.2
514.74805	1.0
670.48236	1.1
738.50830	41.9
739.51117	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	739.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.2
62.98931	1.5
65.27436	1.6
69.03819	17.3
100.45335	1.7
117.03484	14.8
128.40837	2.1
134.03712	2.2
173.02451	5.2
180.66931	1.7
185.02425	4.0
187.04071	3.2
189.01855	2.6
214.54411	1.8
215.03462	4.0
217.01411	3.1
241.01331	2.3
249.89444	1.9
290.75369	1.8
305.04782	5.0
306.05243	4.7
307.06058	6.5
332.48410	1.7
335.05521	16.2
365.02496	1.8
365.06546	9.3
367.75671	2.3
425.08804	100.0
426.09042	12.8
455.09991	2.4
526.97589	2.1
545.13068	89.9
546.13495	13.5
743.72980	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	739.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00969	0.9
55.31636	0.8
57.03442	1.4
59.01380	3.7
61.98836	6.7
70.64452	0.9
71.01393	3.4
71.32463	1.0
71.32842	1.2
72.79064	0.8
74.02441	0.9
77.54423	0.9
81.68756	0.9
89.02467	1.8
91.35751	0.8
93.03495	1.0
96.00937	1.0
96.96026	1.9
101.02418	1.3
113.07331	1.0
115.47375	1.0
117.03485	17.0
122.06116	1.4
125.02474	1.1
130.08739	1.8
134.03732	3.8
145.02983	1.1
156.11333	0.9
161.02473	3.1
173.02426	4.0
179.03520	1.3
185.02480	1.5
187.04027	1.9
189.01978	2.4
189.05138	0.9
189.42451	1.1
192.78169	1.1
197.02469	1.3
215.03519	2.2
217.01422	2.7
263.07138	1.1
271.06155	2.5
295.06064	1.5
296.99402	1.0
305.04562	7.0
306.05341	3.4
307.06134	8.1
308.06375	0.9
335.05649	17.9
336.05960	1.9
338.04547	1.1
353.06647	2.6
365.06738	8.2
366.07040	1.1
383.07932	2.2
395.07944	1.7
407.08069	1.3
425.08838	100.0
426.09161	13.4
455.10205	2.2
456.10016	1.0
545.13068	76.5
546.13452	13.1
563.13971	5.2
572.27618	1.0
609.74927	1.1
721.39880	1.1
739.37274	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	739.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92853	0.6
57.03452	9.6
59.01378	5.4
60.24099	0.7
61.98835	66.4
63.02396	1.5
65.00323	6.5
69.06334	3.0
69.06760	5.0
71.01377	3.3
81.03455	1.2
83.01385	5.0
83.05017	0.8
85.02937	1.0
89.02450	2.3
93.03465	5.8
95.01383	0.9
96.00905	1.1
96.96019	0.8
98.21820	1.8
99.04525	3.5
101.02455	4.8
107.01400	12.4
113.02494	1.4
117.03482	1.0
119.05041	23.7
120.05367	2.1
125.02471	6.1
135.04535	2.0
145.02917	1.2
149.02396	1.2
151.00383	41.9
152.00679	1.1
161.02441	1.9
161.05954	0.8
163.04045	0.8
165.01878	2.4
167.03499	0.8
175.00334	2.8
175.03867	1.1
177.01930	4.8
179.03511	1.3
179.05696	0.9
185.06055	0.8
186.59625	0.8
187.04005	1.2
189.42717	0.7
190.02655	1.1
193.01427	1.5
193.05083	0.9
205.04863	1.2
227.07188	1.4
227.67792	0.7
271.06131	100.0
272.06467	10.5
295.06009	1.6
305.08783	2.7
313.07211	2.0
425.08853	2.4
433.11346	10.3
434.11884	1.3
475.12476	4.1
545.13257	1.5
563.13947	2.2
577.15613	17.5
578.16040	2.4
595.16766	4.8
596.16833	1.1
637.17596	3.6
739.19922	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	739.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51195	1.3
58.02969	2.3
59.01394	1.9
59.02160	1.2
66.29647	1.4
66.34485	1.3
71.31694	1.6
71.32117	2.0
73.04066	7.3
80.03712	1.1
87.05659	2.1
90.23116	1.2
93.37239	1.2
96.96023	2.2
97.04115	3.0
97.74796	1.1
98.02506	4.1
98.06112	1.4
110.02511	5.0
113.07192	6.8
114.05650	3.0
115.05155	11.1
122.09760	1.8
125.03528	1.4
125.07230	1.8
126.06750	2.6
127.05153	7.1
133.03055	2.6
135.04543	5.1
139.05145	2.3
144.07841	2.9
145.09851	100.0
146.10213	2.0
153.06723	21.1
155.08246	1.6
161.02489	6.1
167.08302	1.4
167.11960	2.3
168.07826	3.3
169.06209	1.5
170.09383	1.9
179.03514	2.0
182.09357	2.3
183.10138	4.2
186.08835	2.5
195.11435	5.5
200.17693	18.9
217.11475	1.3
223.11996	2.0
224.10410	7.2
226.15596	3.1
243.06644	2.7
244.16673	2.9
292.16861	1.9
297.22983	25.8
298.15164	1.8
298.23318	2.2
322.15298	5.5
323.13770	3.7
340.16077	6.2
341.08737	2.8
341.21848	8.2
353.14615	3.0
376.23560	1.5
397.03311	4.5
438.27219	7.5
492.73233	1.3
516.56982	1.3
519.25830	2.4
549.26733	8.3
665.36414	5.0
677.36023	4.6
695.37433	65.1
696.37573	15.4
721.39368	2.2
739.40021	76.8
740.28564	1.9
740.40277	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	739.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60458	2.0
59.01389	23.2
59.54233	2.3
61.98841	6.2
71.01392	17.3
73.02960	3.1
82.95403	5.7
84.95129	15.9
85.00445	100.0
85.02957	3.6
87.00875	5.1
89.02460	19.8
98.21789	4.5
101.02469	13.6
113.02480	7.3
119.03511	4.9
125.02410	5.5
140.59352	2.3
143.03548	3.1
161.04521	3.5
179.05650	4.4
235.08156	6.7
281.24869	60.1
282.25253	6.9
397.13528	53.9
398.13974	7.0
415.14706	22.0
419.21918	2.9
758.91125	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	740.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97603	0.1
59.01383	0.1
61.98835	100.0
62.98547	0.2
69.79549	0.2
69.79959	0.2
98.21801	0.1
99.45440	0.1
108.38823	0.1
109.30572	0.1
400.14719	0.1
588.38306	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.1
61.98835	100.0
62.98552	0.2
62.99269	0.1
72.08374	0.1
98.21716	0.2
114.75368	0.1
121.87492	0.1
125.54477	0.1
134.38374	0.1
141.01947	0.1
144.25775	0.1
166.03633	0.1
228.92201	0.1
294.14828	0.1
363.90552	0.1
399.14157	0.2
618.97736	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
61.98835	100.0
62.98532	0.1
71.33537	0.1
82.88512	0.1
83.05045	0.1
93.17839	0.1
109.81823	0.1
119.12457	0.1
129.85817	0.1
132.99324	0.1
259.79703	0.1
541.92505	0.1
678.50421	0.2
679.50378	0.1
680.50787	1.2
681.51202	0.1
712.20294	0.1
740.49274	0.9
741.49249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.3
61.98820	7.9
71.01376	45.9
72.79960	7.9
84.31532	7.5
89.02454	64.8
90.04925	7.8
94.88083	8.0
97.26709	8.7
101.02462	23.5
113.02442	16.4
119.03474	25.6
151.00446	9.0
166.02675	42.4
167.62062	7.7
179.05606	45.8
181.05093	56.5
228.75648	10.1
228.78023	8.4
309.07574	32.7
324.09949	31.7
339.12463	47.4
340.12671	8.5
353.10034	9.8
387.10675	14.6
417.15546	100.0
418.16028	19.4
485.59207	8.7
580.78455	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	741.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.8
57.03454	9.3
58.00587	4.4
59.01388	63.0
61.98830	11.9
62.75459	2.3
69.03460	5.2
69.77565	3.9
69.77913	10.8
71.01391	100.0
72.99304	6.4
73.02946	13.3
74.02469	5.3
75.00873	2.6
81.03474	2.6
83.01406	17.2
85.02961	52.5
87.00887	21.0
87.62467	2.0
88.04037	2.5
88.44305	2.2
89.02464	43.1
89.03014	2.5
89.31731	2.0
93.03495	3.0
95.01418	9.7
96.00944	2.9
96.95997	4.4
97.02987	10.9
97.03556	2.3
98.21888	3.3
99.00890	27.5
99.04496	3.3
101.02455	69.1
108.18398	2.6
109.02974	3.0
111.00877	11.5
113.02460	49.1
113.07247	4.4
114.02743	2.9
116.80183	2.2
119.03519	24.8
119.05038	2.5
121.02972	4.6
123.00941	3.7
125.02470	24.7
127.05116	3.3
128.03575	3.3
129.10365	2.5
131.03543	12.8
133.02969	2.5
135.04596	3.6
137.02455	10.8
141.01996	5.0
143.03510	27.4
144.07854	3.7
145.05067	2.9
149.02496	2.7
151.00394	14.9
155.03468	2.5
159.03104	3.3
161.02466	5.8
161.04576	52.8
166.02731	41.5
167.03464	4.9
175.03970	3.2
179.05682	13.2
181.05077	34.2
203.05624	4.5
205.03540	2.5
221.06709	35.9
228.25356	2.3
235.08293	2.9
245.06686	32.9
246.06960	2.5
263.07697	29.3
305.08801	3.2
323.09879	45.5
324.10083	3.4
339.23944	2.6
343.21103	4.2
383.22461	2.3
387.10901	9.4
402.13223	3.6
417.15674	18.0
697.27362	2.3
698.27094	2.4
711.40106	2.7
741.43073	10.5
742.40607	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	743.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52079	3.4
61.98828	7.1
69.20575	25.7
103.46758	3.4
104.50753	3.0
109.02969	9.4
121.02954	9.5
133.02994	7.2
135.04546	5.9
161.02466	24.7
179.03549	5.9
203.03671	4.0
223.04004	3.3
226.06276	5.0
241.05051	6.8
242.05876	5.2
243.06642	100.0
244.07030	8.4
252.79445	3.2
271.09744	6.2
297.07666	14.2
317.16766	3.4
341.06400	7.6
341.09158	5.6
357.09836	5.7
359.07602	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	743.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25367	0.9
69.04303	7.5
69.04723	3.7
69.18960	1.5
81.78645	1.0
89.02483	1.5
98.21790	2.3
109.02970	5.5
115.00435	1.6
121.02959	10.2
135.04495	2.5
157.47566	1.1
161.02457	3.6
187.04060	2.2
187.07567	1.1
188.04779	1.4
213.05699	1.3
225.05542	1.9
226.06265	3.3
227.06654	1.1
241.05067	4.3
242.05907	6.9
243.06631	100.0
244.06963	9.4
269.08173	1.2
271.09805	4.7
286.94574	1.1
297.07697	7.4
298.08002	1.3
315.08844	1.3
341.06473	11.2
357.10126	2.4
359.07724	8.3
451.96893	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	743.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
62.55959	2.5
69.81120	2.8
71.01374	4.9
71.32184	3.5
74.02498	6.4
74.28396	2.5
78.60088	2.6
88.04046	3.3
92.58862	2.7
97.07881	2.5
109.02950	10.3
112.26099	2.6
115.00409	3.6
121.02966	14.8
133.02969	9.3
135.04555	18.9
149.06052	3.4
161.02477	26.7
161.06105	4.7
177.05629	5.4
179.03481	15.1
215.82690	3.1
226.06425	6.5
227.06938	3.2
239.05716	13.1
241.05060	8.9
242.05875	10.6
243.06628	100.0
244.06894	5.8
271.09790	9.8
277.05515	5.1
290.77112	3.4
296.00012	3.3
297.07733	12.3
315.08990	5.5
341.06171	5.0
341.09229	5.5
359.07806	21.6
360.08200	4.0
361.59647	3.4
400.22272	5.5
401.23947	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	744.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80311	0.1
61.98835	100.0
70.64820	0.3
88.96539	0.2
102.26098	0.1
208.03867	0.2
208.45877	0.2
210.22113	0.1
223.06252	0.4
243.85864	0.2
477.75040	0.2
483.93835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01722	1.1
64.56066	0.3
68.94398	0.4
86.82973	0.3
97.13300	0.4
97.53304	0.4
103.00379	2.0
103.01507	69.2
104.01855	0.6
108.83944	0.4
114.93079	0.4
130.12253	0.3
154.42473	0.4
228.85381	0.5
269.65878	0.3
311.16708	0.5
481.15445	1.8
497.18140	0.6
555.18860	4.5
556.18634	1.0
572.14850	1.0
573.15393	0.7
641.21570	1.1
659.22876	1.0
660.23163	0.7
701.24829	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01546	4.3
57.27220	4.3
59.01131	6.8
59.01382	83.2
66.42184	5.6
69.27551	21.9
69.27979	16.7
71.01382	65.4
72.99323	5.7
80.12058	4.3
85.02948	8.3
87.00916	5.6
88.27620	5.1
89.02452	100.0
95.01400	6.6
96.40031	5.0
101.02448	42.2
113.02464	28.9
119.03522	45.9
121.02896	5.4
122.03754	5.5
133.78279	4.8
142.93028	5.2
143.03490	6.6
149.02466	15.0
150.03214	44.8
161.04491	6.2
165.05569	33.3
179.05603	11.5
195.06563	26.6
296.74734	5.7
339.08670	16.9
369.13498	30.6
473.30957	5.8
488.13678	5.8
517.18518	14.5
545.12714	6.8
547.83478	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	746.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.8
61.98835	100.0
70.72903	0.9
70.73251	1.3
71.01392	1.1
72.71950	0.6
78.00603	0.6
78.57078	0.7
85.02976	0.6
89.02464	1.3
92.37980	0.6
109.02982	1.0
121.03006	0.9
125.02564	0.5
133.02966	13.5
134.03375	0.8
135.04532	9.8
140.78015	0.6
148.92596	0.5
149.06134	2.1
161.02454	64.7
162.02782	3.3
179.03508	18.4
180.03926	0.8
203.03558	1.7
221.04605	1.0
229.15582	1.0
241.05241	0.7
243.06636	7.9
246.83644	0.6
271.09909	0.8
281.06708	0.8
297.07953	0.8
315.08707	3.3
316.09534	0.7
331.44885	0.7
341.08832	52.0
342.09296	6.3
359.07767	4.8
504.05066	0.6
521.13269	1.5
522.13458	0.7
773.52435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.53785	0.2
61.98833	0.7
69.37111	0.7
69.37535	0.8
71.01385	1.0
72.75889	0.2
72.99313	4.2
73.99650	0.4
75.00878	100.0
76.01195	1.0
79.41116	0.2
82.26604	0.2
85.02961	0.2
87.00867	0.2
89.02457	0.8
101.02473	0.9
113.02495	0.3
119.03510	0.3
125.02460	0.3
130.24025	0.2
161.04593	0.4
179.05676	0.2
235.08273	0.6
277.21762	3.2
278.22107	0.3
287.07767	0.2
305.08777	0.2
313.25726	0.2
397.13513	6.1
398.13986	0.7
415.14447	2.3
503.46585	0.2
540.36493	0.3
550.17529	0.2
721.41656	0.2
751.27417	0.2
767.84137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01223	0.3
59.01390	1.5
61.98835	0.5
67.85165	0.3
68.33990	0.3
71.01386	1.4
72.99312	4.6
75.00877	100.0
76.01226	1.3
85.02974	0.5
87.00899	0.4
89.02458	1.2
101.02461	1.1
113.02473	0.6
119.03534	0.4
140.35219	0.3
144.87816	0.3
146.06705	0.3
161.04555	0.5
177.47366	0.3
185.77171	0.3
188.82722	0.3
229.01363	0.3
235.08195	0.5
277.21732	3.6
278.22089	0.5
306.25699	0.3
397.13541	6.2
398.13895	0.5
415.14511	2.6
547.66846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
59.01379	17.5
61.98835	12.6
64.91238	1.5
66.15842	1.4
70.64803	3.0
71.01384	11.7
72.99283	2.6
75.68900	1.7
77.72282	1.5
82.95399	3.2
83.01407	2.7
85.02942	7.3
85.91969	1.9
87.00877	1.7
87.23856	1.6
89.02448	7.4
91.01903	1.9
93.03477	2.3
97.02975	2.2
99.00877	4.1
101.02448	9.6
113.02454	14.0
119.01392	10.2
119.03482	2.4
121.02953	8.9
125.02534	3.7
133.02914	1.8
135.04541	10.7
145.02950	2.3
147.00848	3.2
147.04506	3.3
149.02449	45.2
152.01103	2.9
153.05597	2.2
160.77637	1.6
161.02373	8.9
163.04036	4.6
164.04790	29.6
175.00366	39.9
179.03471	5.8
179.05659	3.6
179.07169	5.7
189.01932	1.9
190.02719	85.4
191.03200	5.8
193.01411	5.8
203.03493	2.7
205.05057	100.0
206.05473	7.1
208.03777	9.6
215.03508	2.2
221.08185	3.0
223.04019	3.7
223.06129	60.5
224.06412	3.3
247.06099	3.1
250.04649	2.3
259.02478	3.1
265.07162	15.3
274.04877	2.2
277.07169	5.8
287.09167	4.3
289.04276	1.2
289.07175	34.9
290.07492	3.7
295.08298	12.3
314.51688	1.9
349.09311	15.3
350.09552	2.3
367.10361	10.1
482.61502	2.0
529.15619	25.3
530.15967	2.4
573.15601	2.0
591.20593	2.5
753.26691	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	753.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64356	0.3
58.00186	0.3
69.03455	1.4
69.03879	2.2
71.34789	0.3
72.99310	3.9
75.00880	100.0
76.01226	1.2
83.05032	0.8
91.69270	0.4
117.85674	0.3
124.62508	0.3
426.91888	0.4
473.60663	0.4
519.15253	0.4
677.49634	4.5
678.50037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	1.1
67.03011	2.4
67.92164	1.0
69.20864	8.5
71.02514	3.5
72.00899	1.2
73.04066	4.1
75.54729	0.9
81.04579	11.1
87.05650	3.8
93.04590	11.3
96.00932	15.2
96.67728	1.0
96.96043	1.6
98.02494	3.1
98.22575	2.1
99.02022	3.3
107.04940	1.1
108.05676	2.4
110.07258	27.1
111.02051	1.4
112.04029	1.0
113.03594	6.7
113.07237	9.1
114.05621	6.2
115.55207	1.0
116.05050	1.8
118.05123	2.8
123.05699	4.5
123.60908	1.1
124.04055	5.5
125.03569	2.4
126.06728	2.1
127.05167	2.7
128.03603	1.3
130.06229	4.1
130.81784	1.0
135.04529	1.6
136.05176	3.5
137.03593	3.1
137.07260	1.5
139.05135	1.9
142.06255	1.7
144.03171	1.3
144.07779	10.3
146.06131	2.3
153.06721	2.9
154.06235	15.3
161.02510	6.9
163.05081	1.6
164.07184	1.7
166.06229	2.4
167.04665	3.3
180.07912	1.1
181.06233	2.3
184.07306	5.8
186.05670	2.0
189.11522	3.7
203.08162	1.2
207.12527	13.1
208.12752	1.2
240.11414	5.0
243.11342	1.9
251.11513	15.7
252.11813	2.1
263.10489	2.0
337.16742	4.6
341.08774	2.6
359.07797	1.5
383.14658	1.3
413.15570	3.0
455.20752	1.4
526.24292	3.4
622.30286	1.2
623.25848	2.9
737.30493	2.8
738.29834	1.4
754.32831	100.0
755.33136	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
60.16331	1.4
68.55199	1.3
71.01389	6.3
71.31145	1.2
71.31571	2.0
82.99224	1.5
85.02960	7.4
87.00883	2.3
87.51656	1.2
89.02459	4.5
94.51297	1.7
95.01408	3.7
101.02482	1.4
103.59543	1.3
113.02452	13.2
118.99923	1.5
123.04554	1.7
131.03491	1.6
132.02197	2.1
133.02963	45.0
134.03368	2.2
135.04532	23.7
153.05641	2.3
161.02449	100.0
162.02792	4.5
179.03561	5.6
199.31306	1.4
211.92516	1.4
293.24884	1.4
296.14124	1.3
316.63333	1.5
332.18347	1.7
421.07703	1.6
456.01291	1.6
461.16718	2.1
590.11755	1.4
593.20917	7.0
594.20551	2.1
755.24133	53.3
756.24072	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	755.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62695	1.2
57.03453	25.1
59.01385	16.7
61.98837	17.3
62.31023	0.9
69.98145	2.4
69.98540	1.3
69.98749	0.8
71.01390	12.1
72.99336	1.4
73.02941	2.9
76.86964	0.9
81.03461	1.6
83.01390	3.8
85.02959	5.1
87.00884	1.3
88.98853	1.1
89.02445	2.7
96.96013	1.4
98.21760	1.1
99.00861	1.1
99.04514	6.0
101.02434	12.0
113.02465	3.8
119.03536	1.5
125.02448	6.0
157.12418	1.0
161.02493	1.9
162.37541	1.1
164.45189	1.0
180.65553	1.0
190.44672	1.0
241.21806	1.7
268.43314	1.2
287.22287	21.4
288.22644	2.6
299.22314	1.2
431.26529	13.9
432.26633	3.0
449.27582	100.0
450.27820	15.3
473.27603	2.5
491.28632	42.9
492.28964	7.3
531.31781	12.8
532.32172	1.7
593.31854	21.9
594.32172	4.6
635.32880	2.1
755.37109	15.5
756.37561	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	755.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	27.0
59.01384	22.5
61.98829	17.4
69.10905	11.0
71.01384	23.6
72.99348	2.0
73.02959	3.8
81.03485	1.6
83.01392	2.7
85.02947	8.0
87.00901	2.1
89.02466	6.3
95.01376	2.2
96.96033	1.5
99.00935	1.9
99.04543	8.4
101.02455	12.9
105.56583	1.3
113.02452	9.5
115.00401	2.1
115.86945	1.2
119.01434	1.6
119.03534	1.6
124.80711	1.3
125.02470	7.4
133.02982	2.0
135.04536	3.0
143.03468	2.0
149.02477	3.8
157.00888	1.4
161.02458	5.8
161.04559	4.6
164.04861	3.4
175.00380	4.9
176.00618	1.6
179.03482	2.0
179.05615	3.3
190.02701	7.5
191.03061	2.7
199.34856	1.5
203.05725	2.0
205.05115	7.9
205.57283	1.5
206.05388	4.3
223.06189	4.6
224.06389	2.2
269.21265	3.1
277.90701	1.5
285.20618	1.4
287.22302	22.0
288.22623	1.8
290.07388	2.0
367.10556	1.9
431.26505	13.0
432.26929	2.4
449.27585	100.0
450.27832	14.5
455.26474	1.6
462.54611	1.6
473.27420	3.3
491.28720	36.3
492.29117	7.1
531.31830	9.0
532.31848	1.5
593.31921	23.7
594.31952	4.8
749.17712	1.7
755.36993	11.4
756.37018	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06076	0.5
59.01384	100.0
60.01723	1.5
61.98817	0.9
68.42831	0.6
71.70931	0.5
75.00883	1.2
92.70206	0.6
102.95724	2.6
103.00518	4.8
103.01501	77.6
104.01870	0.9
161.44380	0.6
190.52956	0.5
197.10828	0.6
228.74010	0.7
230.23422	0.6
278.17661	0.7
742.28119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49462	0.2
57.99351	1.0
59.01379	0.2
61.98837	0.5
71.01369	0.2
82.95424	2.2
84.00912	1.1
84.95129	7.0
85.00439	100.0
86.00150	0.3
86.00782	1.3
89.02429	0.3
100.21130	0.2
127.37386	0.2
179.26715	0.2
198.68649	0.2
212.97340	0.2
228.83017	0.2
277.21808	0.2
278.22260	0.3
300.35196	0.2
334.38385	0.2
397.13516	0.4
415.14761	0.2
416.14789	0.2
439.22385	0.2
537.56323	0.2
583.19476	0.2
734.89679	0.2
737.49213	0.2
778.52588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4187
Annotation	Asprellic acid C
Peak:m/z	Relative Intensity
60.28846	1.6
61.71296	1.5
66.03475	2.2
82.02986	1.7
84.38698	1.7
98.22617	3.1
99.05605	3.9
120.95547	1.6
126.23006	1.7
127.05120	10.9
128.07086	1.4
129.10359	7.3
139.08810	3.6
145.09843	51.7
146.10240	1.8
147.06033	2.6
151.08850	1.9
155.08282	4.0
168.11450	4.9
178.56059	1.7
179.11940	5.1
181.15651	1.6
183.10143	2.9
200.17677	4.9
222.12473	17.5
226.15549	3.5
239.15157	1.8
244.16656	4.3
251.15149	2.5
258.09055	5.6
299.15405	8.4
300.15659	2.4
330.21915	4.1
356.55920	1.6
370.19144	5.9
383.11267	3.3
388.20224	10.1
763.41779	100.0
764.42035	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11367	4.7
60.99310	19.1
77.62421	5.3
87.04240	5.4
88.98805	100.0
94.97414	5.6
97.15661	6.5
127.93230	5.9
133.35519	5.6
187.51901	6.0
207.33810	5.8
482.24094	5.5
527.92279	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	765.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67267	5.2
59.43830	4.5
60.99318	24.1
61.98812	5.6
65.50092	5.8
69.19481	7.1
69.19879	34.5
69.55262	4.4
88.98814	100.0
89.02457	8.8
176.29886	4.4
188.41655	4.2
229.10567	5.2
244.27568	4.7
302.64905	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	767.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86237	5.0
57.03470	25.2
59.01382	42.0
61.98835	9.0
65.38260	5.5
69.36147	39.8
71.01398	25.9
73.02976	13.2
73.04057	5.2
74.02452	6.9
83.01388	6.3
85.02966	5.4
87.05612	6.9
89.02458	18.4
92.02589	4.7
99.04542	21.2
101.02452	17.9
113.02467	14.3
116.01348	5.3
119.03490	8.5
125.02448	23.9
127.05167	8.4
161.09717	7.4
165.09325	5.7
179.10785	20.7
184.07364	6.3
203.10881	8.3
221.11917	8.2
257.80646	5.3
401.18127	14.4
545.22498	100.0
546.22748	22.2
568.09320	5.5
724.39581	6.0
735.81500	5.7
767.30170	18.9
768.43164	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	19.1
78.95495	0.6
86.74142	0.7
87.00909	1.2
88.00389	1.1
88.98811	100.0
89.02449	9.0
89.99120	1.3
98.21778	2.5
104.92799	0.7
105.46552	0.7
117.13800	0.7
148.90976	1.1
217.84709	0.7
229.19882	0.9
241.75026	0.6
305.33301	0.7
382.70020	0.7
397.13715	1.1
441.64462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19083	0.6
60.99310	18.0
61.98839	0.7
87.00900	1.5
87.45618	0.6
88.00404	1.2
88.98810	100.0
89.02449	17.0
89.99136	0.9
113.04336	0.6
130.15372	0.6
176.95081	0.6
279.23190	0.6
397.13586	1.1
641.84454	0.7
767.27942	0.8
768.26111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07477	0.2
59.01365	0.3
60.99313	16.4
69.24005	1.4
76.64823	0.2
77.73097	0.2
87.00894	0.8
88.00401	0.7
88.98815	100.0
89.02448	4.5
89.99155	1.1
113.02412	0.2
114.25060	0.2
119.80572	0.2
148.41203	0.2
161.02586	0.2
194.60593	0.2
425.69888	0.2
541.03021	0.2
677.49731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97581	1.3
57.03462	2.0
59.01370	4.6
61.98834	4.5
66.03489	5.0
69.03370	9.6
69.03777	4.4
71.01381	3.2
73.04072	2.2
82.03008	3.4
83.01409	1.5
85.02966	1.9
88.98803	2.6
89.02467	1.8
98.21754	1.9
101.02457	3.0
105.02430	1.4
111.02131	1.3
113.02490	1.8
113.07226	6.4
114.05631	18.3
116.05094	2.2
122.09719	1.7
125.02459	10.2
125.03569	2.5
125.07227	5.8
126.05605	1.9
127.05146	9.9
127.08768	2.4
135.04568	1.5
141.06624	1.7
149.02443	2.5
152.03613	2.4
153.06721	19.0
155.08308	11.5
161.02464	2.6
161.07523	3.4
164.04805	1.7
165.10399	10.9
166.08714	1.5
167.08200	1.4
170.09399	3.6
190.02737	3.3
205.05087	4.7
208.10861	2.4
209.09340	4.9
211.10918	22.6
218.09695	1.6
223.06134	2.8
241.13213	2.2
252.13547	20.5
253.13660	1.5
272.10867	1.9
282.12564	2.6
289.13412	8.7
301.06665	1.4
323.20987	6.4
380.22906	2.5
425.08926	1.7
428.19836	2.9
436.59259	1.7
463.25488	2.4
505.26434	2.6
558.84808	1.5
596.32642	2.0
693.30676	1.4
725.38531	1.4
766.09735	1.5
769.37274	100.0
770.37524	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12858	4.5
59.15341	4.0
60.80002	3.7
71.11195	10.3
72.96933	4.1
73.31358	4.2
96.67908	3.7
156.66402	4.2
180.44125	4.1
208.35632	4.5
211.13431	100.0
212.13731	10.9
237.64288	4.4
253.09351	6.4
277.21671	52.0
278.21918	5.2
350.43964	4.7
380.70016	5.2
447.22522	26.7
707.43561	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	770.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54285	3.4
65.66631	3.1
70.84659	5.5
70.85008	7.4
138.18398	3.0
183.14006	4.1
211.13406	93.3
212.13704	5.0
253.09294	7.6
257.44943	4.2
277.21747	100.0
278.22089	14.8
375.02930	3.6
389.71506	4.2
429.21265	6.3
447.22168	5.7
513.30902	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	771.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
60.45314	0.4
61.98817	2.0
65.60367	0.4
71.01380	0.9
71.85764	0.4
76.40005	0.4
89.02439	1.2
92.46141	0.5
93.03442	0.6
121.02993	3.0
128.03477	0.6
135.04561	3.1
137.02434	0.7
138.93700	0.4
141.46327	0.4
149.02464	23.7
150.02786	1.3
151.04031	0.7
152.01175	5.3
161.02478	0.5
163.04002	5.2
164.04816	24.5
165.01976	0.5
165.05161	1.2
167.03490	1.5
169.05093	2.5
179.05704	0.9
179.07164	8.7
180.07535	0.6
181.31627	0.5
188.36871	0.5
190.02734	0.9
193.01451	13.6
194.01755	1.0
205.05118	1.0
208.03784	35.4
209.04091	2.4
223.06133	100.0
224.06483	6.9
284.91080	0.5
385.11456	21.4
385.16113	0.7
386.11749	3.5
609.21112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01183	1.4
59.01386	3.7
69.68288	1.7
69.68639	8.6
70.02975	1.7
71.01372	2.2
73.04032	2.3
75.95866	1.3
82.02992	5.4
84.04571	2.5
87.05637	12.2
88.05916	1.8
89.02451	2.3
98.02449	1.5
102.05618	19.0
109.04094	3.3
111.05634	1.9
112.04114	2.0
113.03655	1.8
115.08793	2.3
116.07135	1.9
124.04025	9.0
126.05643	2.3
127.05139	19.3
128.03548	64.4
129.03868	1.6
129.06725	19.5
129.10434	3.0
130.08749	12.7
139.05176	2.3
139.08740	3.1
140.08267	7.5
141.06674	8.1
141.10352	1.9
143.11885	2.8
145.06224	2.5
146.04622	11.6
151.05115	2.0
151.08789	7.3
155.08330	3.7
155.11945	1.7
158.09364	6.8
161.02448	1.8
165.10345	3.1
166.06163	3.2
166.08775	1.6
167.04671	11.0
168.11435	2.2
169.09866	5.0
171.15057	4.5
182.09364	6.4
184.07277	2.4
185.05719	5.9
186.12471	2.7
187.10991	2.1
196.14603	2.9
197.12921	3.8
200.10484	2.0
215.14105	3.6
236.14046	5.6
238.15593	2.7
239.15169	2.4
241.12071	2.7
254.15128	7.1
264.78531	1.8
281.16211	3.9
291.05923	1.6
298.14066	15.3
299.17395	3.4
360.17661	1.8
378.20840	1.5
383.19257	2.8
427.18759	1.6
428.21747	5.8
471.20975	7.0
581.29883	2.4
599.30084	4.3
625.31958	3.4
643.33124	10.2
644.34448	2.3
728.34808	10.1
729.35059	4.4
754.36340	4.8
772.37360	100.0
773.37634	30.5
777.93420	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	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98831	1.8
68.63291	0.3
70.65530	0.9
71.01379	1.5
71.20304	0.3
78.95908	5.7
79.95745	3.3
85.02975	0.3
89.02470	0.7
94.98049	0.4
96.00908	0.5
96.96016	100.0
96.96914	7.0
97.95972	0.4
98.02489	0.5
101.02451	0.9
103.92062	0.6
104.92840	0.4
118.96574	0.6
131.27582	0.3
137.75914	0.3
144.98259	0.4
164.13626	0.3
184.95232	0.3
217.00327	0.3
253.09515	0.4
259.01465	0.3
277.21732	2.2
291.04254	0.6
319.03580	0.4
361.04596	0.7
397.13577	1.9
398.14395	0.5
407.17749	1.0
415.14633	0.8
435.08173	1.6
453.09665	3.0
483.04520	0.4
713.30676	3.5
714.30695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11765	2.0
71.31520	2.1
71.31910	2.9
74.78718	1.6
78.95889	5.2
79.95739	2.0
96.92223	2.8
96.96013	100.0
96.96994	5.1
125.52029	1.6
156.53232	1.7
195.26248	1.8
217.99773	2.2
286.67474	1.7
397.72714	2.2
453.09372	2.0
713.30859	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	775.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98834	0.5
62.06419	0.3
65.98978	0.3
71.01375	1.3
71.55539	0.4
78.95915	5.7
79.95759	3.4
89.02431	0.7
94.92525	0.6
96.92215	1.1
96.96025	100.0
96.96918	5.8
101.02448	1.0
102.37798	0.4
118.96616	0.7
125.02415	0.5
198.57396	0.3
279.23334	2.4
319.38101	0.4
357.15533	0.4
397.13654	1.9
409.18866	0.9
415.14682	0.6
431.33755	0.4
435.08331	1.2
453.09390	2.1
660.74249	0.4
715.32507	2.0
732.29523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98820	0.1
65.81715	0.1
71.01389	0.2
78.95910	4.8
79.95303	0.2
79.95744	3.6
81.07687	0.2
85.46805	0.1
94.98112	0.4
96.00962	0.2
96.96017	100.0
96.96910	6.3
97.95937	0.3
98.21756	0.3
101.02419	0.2
115.00346	0.1
140.79089	0.1
209.89668	0.1
297.10184	0.1
450.16965	0.1
609.39923	0.1
610.53149	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	779.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07961	0.2
59.01382	100.0
60.01711	1.3
61.98837	0.2
62.14826	0.2
63.23839	0.2
69.23575	0.1
70.90025	0.2
75.00874	1.0
78.60814	0.2
92.25051	0.2
102.89701	0.2
102.95689	0.7
103.00385	3.4
103.01501	62.5
104.01235	0.3
104.01837	0.7
104.03583	0.2
229.10567	0.2
306.91257	0.2
355.17865	0.2
382.54532	0.2
397.13257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.4
64.35009	0.2
66.56908	0.2
74.80146	0.2
75.00880	1.2
87.82072	0.2
102.95682	0.3
103.00379	2.8
103.01503	68.2
104.01228	0.3
104.01846	0.9
140.07616	0.2
142.26654	0.2
163.23842	0.2
166.86220	0.2
177.46367	0.2
222.78957	0.2
279.16373	0.2
335.37827	0.2
393.10202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01712	1.0
61.98832	0.4
75.00861	1.3
76.78475	0.4
83.26857	0.4
91.42999	0.5
102.95706	2.3
103.00382	3.8
103.01502	66.7
104.01894	0.9
159.91528	0.5
196.63493	0.5
221.59697	0.4
228.97263	0.6
380.19601	0.5
682.37378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	1.5
69.43439	0.4
75.00890	0.8
91.20753	0.5
98.21709	0.9
102.95709	2.5
103.00381	3.4
103.01505	76.0
104.01836	0.8
126.68359	0.5
419.10876	0.6
480.96753	0.5
557.60919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55705	0.2
57.03451	0.4
59.01384	100.0
60.01728	1.2
60.21984	0.2
61.98841	0.2
70.81947	0.2
71.01396	0.6
71.26099	0.2
71.33210	0.3
71.33662	0.3
75.00879	2.1
83.05020	0.2
88.04086	0.3
89.02451	0.3
101.02460	0.6
103.00488	9.3
103.01505	79.3
104.01201	0.3
104.01851	0.7
119.03503	0.2
128.03575	0.2
138.57587	0.2
148.67174	0.2
160.63966	0.2
199.32742	0.2
232.84607	0.2
361.50018	0.2
366.91193	0.2
442.21848	0.2
475.23517	0.3
619.26825	0.3
677.49738	1.9
678.49860	0.3
727.27472	0.2
781.41626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03500	0.9
71.01382	1.0
71.32549	0.8
71.32921	0.8
80.05090	0.7
82.06627	2.3
84.08228	0.8
87.05640	5.1
94.06612	0.7
97.04082	1.0
98.02535	1.1
99.02032	0.6
111.01928	0.7
112.07699	1.4
113.03595	1.1
121.04099	2.1
127.08802	1.2
129.10355	22.5
130.08740	3.1
138.08031	0.8
139.08772	4.8
140.07195	3.2
141.55957	0.6
145.01462	4.3
146.06140	1.9
151.72090	0.7
153.10413	1.1
155.08301	4.7
155.11905	2.1
164.09575	5.1
165.10347	5.4
166.08727	0.7
167.08302	1.3
180.11433	0.7
181.09818	0.6
182.13011	2.6
182.15579	0.7
183.11375	2.6
195.15045	1.7
197.16571	4.4
198.12589	0.7
200.14038	5.5
207.15051	16.5
207.91489	0.7
208.13531	1.0
208.15373	1.1
208.42056	0.7
214.12355	0.8
214.82956	0.6
216.13829	0.6
223.12245	0.8
224.17679	8.5
225.16028	4.9
241.13574	2.9
242.11864	2.6
242.18764	13.4
243.19156	1.0
259.14474	3.7
260.14786	0.7
268.16617	1.0
268.20361	0.8
269.21124	0.9
276.17154	1.7
295.21417	8.0
296.21515	0.7
310.24905	1.1
312.17218	1.7
313.22537	4.2
330.18320	1.1
337.26135	8.1
347.21124	0.7
355.27191	2.5
371.24551	0.9
443.27078	0.7
468.35660	0.9
539.39111	4.8
540.39941	0.8
556.34808	1.5
573.37939	5.2
574.37799	1.2
615.42389	2.7
729.92010	0.7
782.51880	100.0
783.52240	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40282	4.5
60.76764	4.3
71.31549	5.9
78.95913	100.0
89.86142	4.3
96.96964	70.7
112.62611	4.4
134.04774	9.8
139.39568	4.7
158.92601	8.5
162.97905	5.7
180.99106	14.4
254.71440	4.3
346.05591	34.6
356.44592	5.1
380.76987	5.0
437.08661	31.5
438.08878	6.0
468.03726	5.3
587.72034	5.0
602.93512	6.9
784.15485	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	785.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	0.6
69.18772	0.4
69.62517	0.5
84.23559	0.6
94.35219	0.5
104.38896	0.5
108.90207	1.9
120.02187	0.7
121.02964	100.0
122.03281	3.3
136.01642	0.7
165.01956	2.0
171.80426	0.5
175.60007	0.6
181.06624	2.1
191.03491	1.8
209.04558	61.3
210.04880	4.3
225.05600	1.7
282.60388	0.5
313.07254	5.2
350.09900	0.6
357.06268	1.7
386.25992	0.7
401.08813	9.5
402.09268	1.6
549.10260	0.6
649.05652	0.8
785.17871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
64.93090	0.2
69.21307	1.4
71.07136	0.2
76.72095	0.1
78.30696	0.2
100.52079	0.2
123.95480	0.2
164.40367	0.2
171.63577	0.2
184.73717	0.2
207.94485	0.2
230.87856	0.2
235.05579	0.2
457.17410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89748	0.3
61.98823	0.8
66.33237	0.3
68.99577	100.0
69.03457	0.7
69.99910	0.8
82.78512	0.3
87.00883	1.2
95.95228	0.7
111.13379	0.3
111.90146	0.3
112.00438	0.4
112.98576	87.5
113.02460	1.9
113.98902	1.2
136.63850	0.4
200.37767	0.3
229.11882	0.4
289.44785	0.3
505.76056	0.4
559.50861	0.4
661.95300	0.3
712.01160	0.5
729.27289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
59.01384	2.9
61.98839	0.5
62.66636	0.2
68.99577	0.3
69.37860	1.7
71.01375	0.9
73.02954	8.1
75.00879	10.0
80.53275	0.2
87.00899	0.3
89.02446	0.8
99.00895	7.0
99.92594	12.8
100.92623	0.6
101.02467	0.2
104.46354	0.3
112.98592	0.3
115.00401	0.6
115.99908	0.4
116.92874	100.0
116.97259	1.4
117.01952	16.4
117.05603	0.6
117.92883	6.9
171.97832	0.2
254.10684	0.3
277.21793	0.6
315.45477	0.2
397.13568	1.0
602.29596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
59.01392	1.3
61.98835	0.3
68.99570	0.5
71.32357	0.3
72.99306	0.3
73.02957	4.6
75.00883	5.0
85.76825	0.3
89.02436	0.3
99.00898	3.4
99.92598	12.6
100.92620	0.8
100.93327	0.2
112.98605	0.4
114.93445	0.7
115.00350	0.4
116.92879	100.0
116.97256	4.1
117.01960	8.6
117.05611	0.4
117.92894	7.1
173.56911	0.3
255.24800	0.3
277.21875	0.4
287.63391	0.3
288.51541	0.3
335.17734	0.5
339.27261	0.2
397.13821	0.5
415.14539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.7
60.41689	0.3
70.06003	0.7
70.06361	0.8
71.63745	0.3
73.02947	1.0
75.00867	1.0
87.92828	0.3
87.93472	0.3
98.21824	0.3
99.00895	1.0
99.92593	13.1
100.92645	0.6
116.92869	100.0
116.97256	10.3
117.01974	1.9
117.92884	6.6
279.23300	0.4
281.61548	0.3
306.07458	0.4
337.19193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
69.11794	0.3
70.60358	1.0
73.02949	1.1
75.00864	1.7
99.00893	0.9
99.92594	12.5
100.92610	0.8
106.76818	0.3
114.93405	0.5
116.92869	100.0
116.97261	11.4
117.01948	2.1
117.92876	6.5
168.64365	0.3
170.56702	0.3
215.55002	0.4
226.03322	0.3
337.19327	0.8
400.86603	0.3
473.10638	0.6
627.32892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.97111	0.1
69.56131	0.8
71.01387	0.3
73.02954	2.2
75.00879	1.7
89.02448	0.1
99.00904	0.6
99.92598	10.0
100.92634	0.6
114.93438	0.4
115.00378	0.4
116.92876	100.0
117.01099	0.2
117.01955	4.9
117.92887	6.0
128.03496	0.1
145.02913	0.2
416.16745	0.1
443.25232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
62.76236	0.4
71.01351	0.4
86.02757	0.4
93.03442	1.3
94.48864	0.4
117.03474	17.6
118.03797	0.9
118.05361	0.4
119.88378	0.8
145.02954	0.6
152.11525	0.4
161.02438	1.3
163.04054	0.8
173.02473	4.4
175.03894	0.6
185.02414	3.6
187.03999	2.5
189.01930	3.4
197.02463	1.8
201.01970	0.6
203.03578	0.7
215.03496	2.9
217.01443	3.4
235.07458	0.6
241.01346	1.0
243.06335	0.5
245.04523	0.6
256.19101	0.7
263.07129	1.1
278.05984	0.5
293.04596	1.8
295.06036	0.6
305.04520	6.9
306.05276	5.0
307.06122	10.6
308.06479	1.5
309.07599	0.5
311.05609	0.5
317.04605	1.1
323.05591	1.3
335.05597	20.1
336.05887	2.3
337.07141	0.8
338.04349	1.2
347.05527	0.8
365.06665	7.3
366.07056	1.2
377.06366	0.7
395.07562	0.7
407.07693	0.6
425.08795	100.0
426.09167	14.4
437.08533	0.5
455.09628	3.2
456.09927	0.6
465.16379	0.5
545.13013	99.1
546.13330	17.0
574.61646	0.5
772.72614	0.5
802.33221	2.8
803.32819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38007	0.9
67.84278	0.8
70.02975	5.4
71.02543	1.2
73.04077	5.8
74.02451	1.3
82.02989	2.8
83.02511	3.8
84.08597	0.8
87.05661	2.0
87.81456	0.9
88.04047	52.8
94.58098	0.9
95.02525	5.9
96.00925	25.0
98.02495	4.3
98.21738	2.3
99.02019	3.9
108.03270	0.9
109.04088	10.3
109.98811	0.9
110.02483	13.9
111.01994	1.5
112.05173	15.5
113.03590	4.3
114.01968	9.3
121.80942	0.9
124.04074	1.6
125.02422	4.5
126.06771	2.2
127.05166	4.8
129.10335	6.6
130.06204	4.8
130.08728	3.0
135.02068	1.9
135.04524	2.4
137.03534	1.2
139.08769	1.8
141.10399	2.0
145.02950	1.2
149.03571	1.5
151.08788	1.1
152.07175	3.6
153.03072	20.9
154.01463	1.5
155.04636	1.7
155.08315	1.7
155.11958	2.7
157.13440	6.1
160.02823	1.2
165.10368	1.8
169.09846	8.0
171.04099	8.5
181.09853	4.0
183.11429	2.8
186.12515	3.6
195.11456	1.3
198.12462	1.6
201.12451	11.5
210.05612	0.9
211.03552	1.6
212.14072	2.3
214.15590	3.6
223.10904	1.1
225.13582	27.5
226.13864	2.1
243.14638	22.9
244.14812	2.0
258.14600	3.1
270.14600	4.4
288.10110	1.6
306.11111	1.3
340.16318	1.7
341.08871	1.0
351.16693	1.0
358.17334	6.0
395.15759	33.8
396.16098	3.3
402.47577	1.0
407.15784	1.5
425.16818	100.0
426.17108	13.7
442.19330	2.0
443.17764	5.9
444.18524	1.4
460.20663	3.3
477.09824	1.3
540.19299	1.6
766.34076	6.1
767.33783	1.4
784.35028	13.8
785.34894	3.6
802.35864	19.7
803.36432	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	805.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
57.80519	2.5
59.01392	6.3
61.98818	5.9
62.28370	2.3
65.11771	2.4
70.23026	5.4
70.23418	5.7
71.01384	4.0
72.24487	2.4
89.02454	3.7
96.95995	2.6
101.02473	6.4
109.02938	3.3
125.02470	4.4
127.65636	2.8
137.02461	26.5
144.80238	2.9
149.02377	2.8
151.00351	3.9
151.04021	4.1
165.00520	5.4
165.01933	100.0
165.05618	3.7
166.02731	19.6
167.03455	4.8
179.03484	23.3
180.04279	54.9
181.05045	25.0
191.03493	2.6
194.05847	7.0
195.06628	69.3
196.06992	7.8
205.05038	6.7
210.05405	5.9
220.07352	3.2
225.07697	58.9
226.07944	4.4
298.01965	2.9
387.14703	6.1
393.16968	3.0
417.15558	44.5
418.16095	5.6
460.66888	2.9
527.72144	3.0
595.21765	45.0
596.21979	12.0
621.63007	3.3
643.23926	20.4
644.24213	3.5
714.77771	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	805.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
61.88618	1.5
61.98836	10.4
68.47668	1.7
69.18266	13.1
71.01388	3.9
85.02928	2.7
88.02560	1.9
89.02466	2.3
96.96029	2.6
99.04483	1.9
101.02448	1.7
109.02958	3.9
113.02447	2.7
123.00905	2.8
125.02418	2.9
134.06129	3.3
135.04532	3.4
136.01604	1.9
137.02461	27.4
150.03191	3.1
151.00389	12.1
151.04012	2.8
152.04814	4.0
161.02486	4.5
164.01196	2.7
165.01955	100.0
165.05586	3.4
166.02736	34.1
167.03339	4.5
175.04074	1.9
179.03534	21.7
180.04301	54.9
181.05084	39.5
182.05501	2.3
184.03694	2.1
187.04002	2.4
191.03372	1.9
193.05087	1.9
194.05873	4.4
195.06656	71.7
196.07005	3.8
205.05083	3.4
210.05418	12.1
220.07404	3.3
225.07709	63.8
226.07994	4.4
256.75061	2.0
264.76151	1.8
359.11414	3.1
371.11359	1.7
387.10602	5.2
387.14706	7.5
402.13263	3.7
416.14859	3.1
417.15610	52.1
418.15948	8.0
522.52008	1.7
565.17474	2.7
595.21881	55.5
596.22412	12.7
643.24023	19.3
644.23926	5.5
805.32782	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	805.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
58.00598	3.2
59.01390	57.5
61.98829	2.9
71.01395	37.5
72.99326	4.9
73.02959	4.8
73.79585	1.4
78.71400	1.3
80.05090	2.6
81.03420	1.6
83.01408	3.7
85.02969	11.1
87.00887	3.4
89.02469	28.0
94.06651	3.2
95.01441	2.7
98.22636	2.4
101.02457	22.0
106.06649	8.8
107.03797	3.7
113.02486	14.9
119.03506	8.0
120.08196	14.3
122.06145	37.7
123.06519	1.9
125.02391	2.8
131.41844	1.3
132.04564	3.0
134.06146	63.8
135.06485	2.4
136.07707	2.9
143.03505	1.4
152.07173	11.1
160.04048	1.7
161.02481	2.2
161.04709	2.4
162.05620	1.7
174.05669	2.1
175.54819	1.6
176.45259	1.4
179.05620	2.1
190.05150	4.5
211.08797	1.9
212.65405	1.3
215.74004	1.2
221.10806	1.7
223.08842	9.4
224.09602	7.2
225.10378	4.6
227.11890	1.8
235.08952	1.5
235.12505	1.9
236.09605	2.8
237.10362	17.0
237.70532	1.4
238.11061	8.5
239.11916	20.7
240.12296	2.5
241.13490	4.7
249.10405	3.4
250.07515	1.7
250.11218	1.7
251.08292	6.9
251.11893	12.0
252.12630	1.7
253.13509	2.5
263.08234	4.1
263.11908	4.2
264.09103	11.5
264.12363	2.0
265.09784	19.0
265.12827	1.4
265.13889	1.4
266.10272	2.0
271.10913	5.2
276.09174	2.0
277.09882	8.1
278.10730	3.2
279.11444	40.5
280.11978	8.6
281.12985	3.2
283.10962	2.2
285.12598	3.4
290.10718	1.6
291.08609	1.6
291.11313	9.2
292.08823	2.6
292.12128	5.6
293.12976	2.7
294.13174	1.5
305.09344	4.1
306.10120	2.0
307.10895	2.9
314.12463	4.6
314.15845	1.5
323.10406	4.5
324.11267	3.6
326.12756	1.8
337.12128	1.9
355.13077	2.0
356.13995	2.4
358.19492	3.9
360.17432	4.4
369.14996	2.5
370.15656	6.3
371.16296	2.5
372.17148	2.9
384.17160	8.1
385.17868	3.9
386.19070	7.1
398.18930	2.4
399.19638	1.6
402.18375	3.8
410.15656	1.6
412.17017	1.7
414.18216	1.9
426.18433	2.8
428.15927	1.8
430.17896	3.0
431.17920	1.8
442.83270	1.6
446.16599	1.6
462.20425	1.9
471.18060	1.9
472.18951	2.5
473.19540	2.0
475.17059	1.4
487.17307	3.0
490.20193	4.1
491.20096	2.2
546.22595	1.8
551.23138	3.0
552.23767	1.8
564.23676	10.1
565.24231	3.0
593.24426	2.0
606.24670	14.0
607.25256	3.8
609.23700	1.9
610.23712	10.8
650.23523	19.5
651.24396	20.3
652.24530	3.0
661.33014	3.0
682.26123	12.7
683.26935	5.5
685.32080	2.1
687.30511	3.9
688.30603	1.8
729.31378	9.3
730.32111	3.7
745.31061	3.2
773.30493	89.2
774.30780	33.0
805.33105	100.0
806.33380	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
58.00539	5.6
59.01384	71.3
61.98354	5.1
61.98843	10.6
71.01389	54.6
85.02976	10.6
85.08489	4.8
87.00890	8.4
89.02457	31.5
101.02443	26.8
106.06638	7.5
113.02470	13.9
116.92914	5.6
119.03493	17.0
120.08180	19.6
122.06106	37.0
134.06120	79.3
135.06442	5.1
147.81427	5.9
151.51805	5.8
152.07172	13.0
203.64473	5.2
223.08752	8.6
224.09186	7.1
225.10107	5.7
234.47218	5.3
237.10335	12.2
239.11836	13.3
251.11951	14.1
263.08215	9.3
264.09064	19.0
265.09784	17.4
271.10825	7.1
277.09750	8.9
279.11377	46.5
280.11887	8.9
291.11383	12.8
305.09326	8.3
307.10931	7.7
312.40604	5.6
360.16754	6.7
384.17352	8.7
386.18741	8.8
402.17847	5.6
426.18115	7.3
448.46442	5.3
564.23535	5.6
606.24188	14.5
610.23889	10.9
650.23224	23.0
651.24316	24.4
661.34088	8.6
682.15125	6.2
682.26105	17.3
729.30603	8.3
773.30444	100.0
773.43884	10.6
773.80737	7.4
774.30756	28.2
805.32983	89.9
806.32312	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.9
61.98849	1.7
69.07829	13.2
71.01385	21.2
72.99303	2.2
73.02938	2.6
83.01433	1.3
85.02958	4.7
87.00867	1.3
89.02449	16.0
94.06657	1.5
95.01379	1.5
101.02437	11.5
106.06638	4.6
107.03787	1.8
113.02444	6.5
119.03503	4.8
120.08198	13.6
122.06122	16.4
132.04564	2.8
134.06128	29.6
135.04512	1.2
137.48216	1.3
150.05536	1.6
152.07179	7.2
157.16685	1.3
158.02425	1.2
160.04007	1.4
161.04747	1.3
190.05112	3.5
221.10835	1.6
223.08760	2.9
224.09399	1.4
225.10310	1.3
237.10349	4.8
238.10880	2.3
239.11887	8.0
241.13445	1.6
249.06633	1.8
249.10396	2.6
251.08311	4.2
251.11894	6.2
252.12424	1.2
263.08313	4.2
263.11917	2.8
264.09073	7.7
264.11652	1.3
265.09805	11.2
266.10275	1.5
271.10986	1.7
276.09039	2.3
277.09830	5.5
278.10529	4.0
279.11365	29.0
280.11984	6.8
281.13132	2.9
285.12582	1.3
291.08386	1.1
291.11383	6.2
292.12186	3.2
293.12735	2.7
305.09323	2.7
307.10852	1.7
314.12656	3.2
323.10300	4.3
324.11331	2.8
325.11865	1.6
337.11945	1.7
369.14636	1.5
384.17108	1.6
386.18835	2.7
402.18240	1.7
412.16479	1.2
426.18237	3.5
428.15848	1.8
430.17551	1.4
444.19391	2.6
445.20071	1.8
446.17517	1.5
454.17297	2.0
462.20117	2.5
472.18857	2.2
473.19397	2.8
490.19571	5.7
491.20309	1.6
593.23560	1.7
606.25220	3.1
650.23694	12.0
651.24164	15.6
652.24097	2.7
682.26013	10.6
683.26447	4.6
729.31543	1.9
750.05701	1.5
773.30353	100.0
774.30719	33.2
803.78271	1.4
805.32990	42.5
806.33105	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	805.331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01387	17.8
61.98834	6.8
65.18250	1.5
69.74063	1.7
70.95702	2.8
70.96049	3.0
71.01396	8.0
72.99307	2.5
73.02939	2.3
80.05073	2.3
81.30064	1.5
83.01407	1.7
85.02956	3.4
89.02467	6.1
94.06641	4.3
101.02493	7.4
104.05069	1.9
106.06678	4.0
107.03788	10.5
113.02465	5.2
116.92892	2.6
118.58651	1.6
120.08199	9.1
122.06139	70.6
123.06474	2.8
125.02471	1.8
132.04585	2.7
134.06139	12.5
135.04602	2.2
136.07715	2.0
139.02765	4.4
152.07188	100.0
153.07532	5.8
160.04132	2.1
161.02478	2.8
169.21381	1.6
174.05626	1.8
190.05115	3.3
201.10248	1.4
213.06982	1.6
223.08781	5.0
224.09587	4.8
225.10350	3.2
237.10252	8.8
238.11121	3.8
239.11929	6.7
241.13298	1.8
245.12820	1.4
247.69286	1.4
251.08270	4.5
251.11899	4.4
263.08270	3.4
264.08932	4.2
265.09894	7.5
271.10989	2.9
277.09808	2.7
278.10681	2.3
279.11435	12.9
280.11911	2.3
283.10812	3.3
291.07800	1.6
291.11258	2.7
293.13004	1.5
295.10812	2.0
307.10944	4.2
323.10349	4.2
325.11844	3.9
339.13586	6.3
346.15665	1.9
354.29486	1.8
355.12872	2.0
356.14398	1.7
357.15289	1.7
359.16443	4.8
360.17099	9.2
370.11679	2.2
386.15109	6.8
387.15411	1.8
400.16446	1.9
402.18427	12.0
403.18958	3.1
428.16180	2.7
430.18115	2.5
444.19571	4.6
446.17166	2.1
448.18799	8.9
449.19104	2.9
459.17999	3.4
460.18729	6.5
472.18909	2.9
488.18228	3.3
489.18790	4.5
502.19867	3.5
503.20837	2.4
504.21353	4.3
520.21014	11.7
521.21344	3.4
525.24976	9.9
551.22992	5.7
552.23547	2.1
567.26318	10.0
568.27277	2.6
570.24109	2.1
593.23969	8.1
594.24951	2.9
599.29053	1.9
611.25159	31.7
612.25409	7.7
625.26709	88.6
626.26819	22.7
643.27722	53.4
644.28137	14.9
661.34491	2.4
685.28839	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	806.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.4
58.02977	6.6
59.01093	3.3
59.01383	12.3
61.98821	7.7
64.36677	3.1
66.49966	3.3
69.52042	25.8
70.02955	4.5
71.01400	18.6
73.04075	13.5
82.02999	6.5
83.02509	4.6
85.02965	4.5
89.02450	5.0
96.00925	75.8
97.01279	4.2
98.02481	38.4
98.22552	7.4
101.02412	6.9
110.02499	32.8
110.03603	7.1
113.02433	5.1
113.03608	17.2
115.05146	12.1
120.08213	6.0
122.06121	7.1
129.10374	29.0
130.08755	87.3
131.98360	4.4
134.06096	8.8
135.04538	7.4
139.08798	7.2
141.09435	4.2
141.10327	23.4
143.11887	8.9
146.06149	16.9
149.03534	6.4
151.08763	7.6
152.07159	6.1
161.02451	12.6
167.08258	7.0
167.10652	12.2
167.11929	6.7
168.11465	22.3
169.09818	7.7
179.03482	7.5
186.12523	21.9
187.10909	22.4
198.07686	4.2
209.06810	7.9
210.12511	32.1
228.13481	11.6
241.13536	24.2
258.16147	23.7
276.17148	7.8
280.12985	7.1
324.08206	5.3
324.12039	85.6
357.19427	17.3
368.14621	25.7
375.15918	5.3
375.20355	36.8
700.32843	7.8
744.36053	33.6
745.36481	4.5
774.30444	9.7
777.68616	4.2
788.24414	5.9
788.38403	100.0
789.39099	34.7
806.36920	13.4
807.40314	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	815.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
63.96229	2.0
64.96993	1.4
68.72456	1.7
71.01390	10.3
71.30933	1.9
71.82062	1.2
78.98598	8.2
79.95740	17.1
80.96523	100.0
85.02958	3.6
87.00873	3.9
94.98096	23.1
96.88618	1.3
96.96032	2.0
101.02460	2.9
106.98103	5.6
122.97594	4.6
125.02415	3.3
126.55016	1.9
134.97574	6.9
148.99132	7.9
152.98648	7.1
164.98637	13.8
172.24942	1.4
206.99663	3.5
225.00760	19.3
226.00845	1.4
277.21591	1.5
346.15332	1.6
559.26147	1.9
716.33978	2.1
815.49884	90.4
816.50330	30.3
819.89252	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	816.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
69.10044	5.6
71.01391	0.7
93.03464	1.3
98.21767	0.9
104.95992	0.6
106.75774	0.5
117.03472	17.2
118.03781	0.7
124.84004	0.6
147.83922	0.5
161.02467	1.2
163.04024	1.0
173.02466	5.0
185.02422	2.5
187.03946	1.9
189.01942	2.7
197.02313	0.6
201.01851	0.7
203.03593	1.1
215.03517	4.0
215.40071	0.7
217.01427	3.7
227.01381	0.7
227.03755	0.8
241.01384	0.7
263.07111	1.3
270.20798	0.8
293.04486	1.8
305.04465	6.8
306.05316	3.2
307.06174	8.7
317.04498	0.9
335.05637	20.8
336.05945	2.5
337.07465	0.8
338.04312	1.3
347.05649	0.8
365.06772	7.2
366.07144	1.0
395.07666	1.1
425.08820	100.0
426.09119	14.6
455.09659	3.2
545.13043	89.6
546.13342	16.3
597.90155	0.7
816.34094	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	817.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.3
61.98832	8.1
69.04520	26.3
69.04945	30.4
71.01400	14.8
73.04073	6.8
81.02211	6.3
82.03020	8.2
83.02514	20.7
84.00921	17.1
85.48997	5.3
96.00910	47.5
97.60604	5.1
98.02496	33.3
98.21810	11.5
99.02007	5.7
101.02483	8.1
110.02493	17.3
111.02045	6.0
112.04053	5.5
113.03603	20.5
116.07194	57.7
124.07710	34.4
125.02422	5.1
129.10356	23.9
133.02988	8.3
134.03711	5.8
135.04541	15.9
136.04068	10.4
139.08801	10.5
145.02934	6.8
153.55951	6.0
155.08287	32.9
161.02481	18.7
165.10359	8.0
166.08688	6.8
169.09900	7.4
177.01718	6.0
179.03516	6.2
207.15009	26.7
209.09351	14.8
209.37077	5.8
223.05518	9.8
224.17772	15.0
242.18755	31.4
253.08321	67.0
268.16718	18.4
281.19891	17.5
297.19348	18.0
299.20908	22.7
325.18842	16.1
335.17462	5.5
419.23401	14.9
456.23242	7.1
510.24371	7.1
527.26538	11.9
563.30634	18.4
764.32605	11.3
765.33130	6.1
781.36194	40.9
782.34332	31.7
783.34021	7.7
799.36884	82.0
800.36920	20.3
817.37805	100.0
818.38300	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	22.7
64.52331	10.4
71.31326	15.4
77.82888	10.9
118.88930	11.3
141.01715	43.7
439.80328	14.9
545.37476	11.3
757.29321	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	817.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98809	8.9
71.31973	8.0
73.06707	4.4
87.77699	5.0
88.20387	4.3
129.38422	4.9
141.01724	52.2
146.06076	5.2
176.92355	5.0
232.07086	4.9
259.24985	5.2
359.21677	7.6
384.37946	4.6
397.13403	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	818.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03490	1.2
69.61368	1.6
69.61773	4.8
70.02432	1.0
82.06620	1.2
87.05633	5.0
94.06675	1.1
101.40823	1.1
105.47155	1.2
112.07697	1.5
121.04094	1.7
127.08729	1.2
128.50636	1.0
129.10349	18.6
130.08704	3.7
131.05052	1.4
139.08807	5.5
140.07196	4.1
146.06125	3.0
153.10304	1.8
153.41322	1.1
155.08279	4.8
155.11964	2.1
164.09532	4.4
165.10315	4.7
166.01585	1.1
167.08302	1.5
174.05667	1.1
182.12965	2.9
182.23802	1.1
183.11424	2.6
195.15096	1.5
197.16573	5.1
200.14044	6.5
207.15022	16.8
224.17709	8.9
225.16101	3.5
225.18086	1.1
231.14955	1.4
241.13422	2.9
242.11864	2.9
242.18747	12.9
259.14560	4.1
276.16959	1.3
295.21423	6.1
312.17059	1.8
313.22498	3.7
314.22876	1.6
337.26181	5.8
355.27237	3.3
443.26279	1.9
460.91235	1.2
539.38965	3.5
553.68036	1.1
573.37634	2.7
782.51874	100.0
783.52222	30.3
818.50183	6.1
819.49036	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	819.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	76.8
61.98829	13.3
69.39523	32.6
71.01382	52.9
72.99314	5.3
73.02957	10.1
78.58613	4.2
80.54933	4.1
85.02966	11.0
89.02467	27.9
91.55226	4.6
95.01403	5.4
95.10325	4.8
101.02460	27.3
106.06655	9.2
113.02470	20.5
119.03520	12.0
122.06122	16.1
128.51860	5.0
134.06136	70.5
135.06522	5.3
150.05630	5.2
152.07167	21.3
158.39862	4.2
161.04782	4.6
171.30804	4.6
190.05162	7.2
199.07053	5.0
211.08711	8.5
215.11836	7.4
217.04259	5.4
223.08690	6.0
225.10400	5.1
237.06693	11.1
250.07591	11.2
251.08339	12.0
263.08304	5.4
265.09967	6.1
283.10986	6.8
297.12415	4.5
301.15680	24.2
314.12753	9.8
330.12488	5.8
337.11954	15.8
338.12277	6.1
344.14005	11.2
346.15649	11.0
358.11853	11.5
372.13428	10.6
373.14059	8.2
374.15088	6.5
384.13190	6.5
386.14966	10.6
428.16159	6.0
460.18768	7.1
472.18750	6.4
492.21118	8.4
493.22372	6.7
517.18408	16.7
607.25958	6.6
639.28070	6.5
664.25464	8.5
665.25562	5.9
697.28583	29.7
698.28973	11.1
732.30072	5.8
745.30530	11.1
746.31140	12.0
755.29089	17.1
787.31879	94.0
788.32373	25.4
819.34296	100.0
820.34656	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	819.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.60400	1.1
71.01385	2.3
71.32516	2.2
74.53446	1.2
89.02460	1.5
96.99343	1.5
99.44598	1.2
101.02422	2.1
113.02464	1.4
114.48643	1.3
141.01709	52.5
142.02071	1.9
279.23425	6.7
361.23572	3.8
373.74939	1.2
397.13422	12.4
415.14539	2.8
419.11801	2.5
437.12692	3.1
469.06802	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	819.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01725	1.5
61.98843	2.5
71.01373	3.5
71.31557	1.8
73.02918	1.1
77.05190	1.1
89.02444	2.7
96.99344	2.0
101.02425	2.7
113.02454	1.4
115.21183	1.2
117.31628	1.0
120.67625	1.2
125.02452	2.0
137.62003	1.0
141.01712	58.9
142.01997	1.5
161.34683	1.3
213.83627	1.2
279.23306	9.7
300.85480	1.1
317.95642	1.1
361.23599	5.0
362.24002	1.5
397.13547	10.8
415.14471	2.6
419.11697	2.3
437.12839	4.9
469.06696	1.7
699.35126	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	819.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.29807	0.4
60.01728	0.5
79.60020	0.5
83.05037	1.7
96.99348	1.9
97.03011	0.6
141.01718	65.6
142.02112	1.5
186.46577	0.5
225.16180	1.1
252.96970	0.5
298.86154	0.5
451.33145	1.1
473.33438	0.6
654.32800	0.6
677.49713	14.0
678.49982	4.3
699.47241	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	821.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	65.4
61.98820	11.1
69.59335	34.7
71.01383	47.9
73.02948	7.2
76.61663	5.1
80.05093	5.3
83.01432	5.3
85.02963	8.8
87.00884	10.4
89.02434	25.8
94.03002	16.5
96.96053	6.7
98.22514	6.9
101.02468	20.8
106.06630	8.3
108.04520	5.7
113.02453	14.5
119.03543	8.3
120.08192	7.1
122.06138	14.3
124.99002	4.9
134.06145	36.2
152.07207	10.7
152.74355	4.6
158.56842	4.9
161.04526	5.4
179.10922	5.5
201.10458	6.8
223.08762	5.5
224.09436	6.3
225.10381	6.1
237.10335	10.5
239.11737	6.6
251.11804	6.4
257.12930	5.4
263.08215	6.8
264.09164	7.9
265.09851	12.3
277.10001	5.6
279.11429	17.3
292.08514	6.3
303.13626	14.6
307.10779	5.8
376.16653	10.0
406.21439	5.3
414.14926	6.7
418.17157	6.4
514.03131	5.6
515.28656	6.6
527.15039	5.2
564.23590	5.9
609.04810	6.1
641.25610	6.4
650.23413	15.0
651.23627	8.0
666.22827	27.8
698.25629	25.4
789.29828	100.0
790.29785	20.6
821.31940	57.2
822.32709	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	823.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.3
61.98829	1.7
71.01388	21.8
71.33038	2.0
72.99301	1.4
73.02938	1.6
80.05077	1.5
83.01406	1.6
85.02953	4.6
87.00875	1.4
89.02451	14.3
95.01356	1.7
96.96036	2.9
101.02445	11.6
106.06614	4.3
108.04527	1.9
112.90655	1.3
113.02449	6.9
117.03438	1.5
119.03499	4.7
120.08200	20.7
122.06107	5.8
124.32700	1.4
132.04576	3.3
134.06126	31.2
135.04488	1.7
135.06401	1.7
140.07196	9.8
152.07161	7.9
158.02406	1.7
158.70677	1.4
159.09132	1.5
160.04147	1.8
161.02449	2.6
179.03505	1.9
179.05661	1.4
182.91949	1.4
190.05109	4.8
223.08772	4.8
224.09438	1.5
225.10359	2.4
231.25386	1.9
236.09581	2.4
237.10321	7.8
238.11127	3.3
239.12003	7.6
249.06714	3.3
249.10240	1.9
251.08278	3.4
251.11842	6.8
263.08295	5.8
263.11917	2.9
264.09085	8.9
265.09729	9.9
271.10815	3.1
277.09818	6.1
278.10638	2.8
279.11401	17.4
280.12088	5.5
281.12909	3.2
283.10883	1.6
291.11377	6.1
292.08878	1.5
292.12155	5.3
293.13092	2.0
305.09418	3.2
307.10693	2.0
309.09079	1.5
314.12411	2.2
324.11200	4.5
337.12234	2.0
337.73849	1.6
370.15598	3.0
384.17090	3.8
399.19626	2.1
426.18253	2.3
430.17621	2.2
444.19162	2.2
454.17767	1.8
459.17838	1.7
462.20322	3.9
471.18027	1.9
472.18759	4.0
473.19397	2.3
490.20010	8.6
491.20053	1.6
606.24701	2.1
623.24518	2.4
650.23199	4.9
651.23987	7.0
682.26062	4.6
683.27350	1.8
705.32349	2.1
747.32782	2.7
791.31421	100.0
792.31628	29.6
823.34045	57.7
824.34161	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	823.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
69.08260	3.0
69.08665	6.9
71.01389	2.1
77.63118	0.9
78.19881	1.2
80.97828	0.9
81.03010	1.7
81.03469	19.6
81.81100	1.0
83.05037	42.4
84.05363	1.6
85.02983	1.3
89.02471	1.8
96.96027	2.2
100.07703	6.8
101.02451	1.3
113.02412	1.0
117.58556	0.9
125.02472	2.3
126.05672	1.2
133.03012	1.5
134.06104	0.9
135.04576	1.8
145.02979	1.3
148.74704	0.9
161.02423	4.6
179.03510	1.7
193.05179	1.4
199.18185	10.3
204.37175	1.0
225.16112	9.2
243.17136	23.3
254.40257	1.2
271.97885	0.9
303.45377	1.0
309.21823	1.5
321.50366	1.1
353.20743	5.3
451.33078	1.3
469.34097	12.3
470.34290	2.1
579.37646	2.3
695.51312	3.8
696.51105	1.6
773.30609	1.1
791.31274	1.1
823.55621	100.0
824.55865	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
68.53268	0.9
71.01404	2.5
71.31985	1.8
89.02443	1.4
110.01785	1.0
113.02486	1.2
119.05017	3.1
132.02171	1.8
133.02977	24.9
135.04544	34.3
136.04826	1.6
145.03050	1.2
149.06033	1.0
161.02463	100.0
162.02814	6.0
163.04042	3.5
177.05614	1.0
179.03532	22.4
221.04552	1.6
223.07562	1.7
227.07063	1.6
253.08826	1.5
255.10622	1.2
281.06589	2.0
297.79538	1.0
325.09357	1.2
330.65659	1.0
341.08817	48.9
342.09088	5.6
362.74771	1.1
384.80215	1.0
409.59778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
69.54043	0.3
71.01392	1.9
71.32031	0.4
73.02940	0.4
85.02952	0.3
89.02460	0.8
93.03481	0.5
101.02472	1.6
107.05049	0.6
108.02183	0.5
109.02932	0.5
113.02446	1.1
113.03545	0.3
117.03477	6.4
117.53546	0.3
119.03598	0.5
119.05049	9.1
120.05415	0.5
120.24339	0.3
125.02523	0.4
127.05137	0.4
127.99971	0.3
133.02953	1.2
133.06584	0.6
134.03749	2.3
135.04543	100.0
136.04861	5.1
143.05083	0.4
145.02974	25.7
146.03343	1.4
158.03801	0.4
159.04532	0.7
159.43924	0.3
161.02538	1.6
161.04529	0.9
161.06126	1.6
163.04030	24.2
164.04376	1.4
169.90900	0.4
178.02669	0.4
179.03517	98.8
180.03851	5.8
187.04073	2.6
189.73911	0.3
205.05063	2.3
221.06693	0.7
227.07199	0.8
242.08171	0.3
253.08722	2.3
263.07727	0.4
298.14264	0.3
323.09848	1.0
341.08807	57.1
342.09158	6.7
427.12421	0.4
487.07831	0.6
487.14642	11.0
488.14792	1.6
501.91388	0.3
829.44049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27023	6.9
69.17493	61.3
70.02980	8.0
71.01377	19.2
73.43785	8.2
81.54285	6.9
88.04037	35.6
96.00912	11.8
115.00374	29.8
115.08774	26.8
116.07224	18.7
118.87848	6.5
126.06715	27.7
132.03058	10.0
139.08807	7.5
141.06726	8.6
141.10332	7.7
144.07805	58.8
151.08803	19.5
168.07793	33.6
168.11359	15.9
169.09792	9.7
170.25504	7.3
186.08841	39.5
186.12534	22.1
243.45963	7.7
264.17084	11.0
267.18188	17.2
282.18292	8.3
326.60971	7.2
344.62534	7.2
478.26486	10.7
514.28595	7.9
594.27972	12.2
696.36475	8.3
714.36835	22.5
811.38611	41.4
829.39349	100.0
830.39490	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95222	1.0
61.66983	1.0
61.98838	2.6
70.84895	2.6
73.04076	1.2
81.01186	1.1
82.06626	0.9
85.06583	1.3
98.22520	1.1
108.56142	1.0
112.07739	1.6
124.77806	0.9
129.10359	21.3
130.08749	20.5
139.08791	3.9
140.07175	1.5
141.10324	1.3
143.11911	5.9
151.08817	1.1
152.07220	1.3
164.14532	1.1
169.09906	6.4
171.10349	1.6
182.15517	4.1
186.12518	1.3
187.10835	4.5
207.15051	1.8
208.13560	4.6
225.16125	11.8
226.14481	16.0
226.16443	1.7
239.17690	2.3
242.18817	1.6
243.17166	46.7
244.17537	3.9
256.20377	8.7
278.22375	1.1
283.16653	2.4
300.19293	4.0
356.25662	3.9
396.25070	10.4
397.25421	1.9
413.27701	6.2
414.26151	100.0
415.26404	12.2
566.35626	1.6
584.36810	2.9
585.37231	1.1
623.40784	1.6
640.42645	2.8
793.50537	4.5
794.49768	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	833.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	43.0
59.91123	4.0
61.98812	5.3
70.94883	9.7
71.01386	35.1
72.99319	6.5
75.00777	4.3
80.73056	4.0
85.02980	10.4
89.02467	21.9
101.02456	20.1
113.02445	13.0
119.03520	8.3
119.34316	4.2
122.06129	12.7
134.06155	47.8
135.04541	5.3
152.07149	10.4
161.02470	12.3
186.05632	6.0
237.10269	8.2
241.09877	12.7
249.10417	9.5
250.07503	6.3
251.08121	5.4
263.08255	13.9
265.09857	32.2
277.09833	14.5
278.07010	6.5
291.07858	5.4
291.11191	5.6
293.09378	100.0
294.09616	14.3
298.06409	4.5
305.09384	32.0
314.12576	6.0
315.13501	20.6
316.13770	6.1
356.14349	4.7
398.15237	8.4
440.15912	8.8
517.17957	9.4
592.23352	4.9
620.22345	24.4
621.23358	5.8
645.39197	4.3
652.25323	5.4
664.21606	70.7
665.21466	13.3
671.40820	10.6
679.23773	33.7
680.24017	8.0
696.24219	28.1
697.24292	6.5
711.25909	13.3
725.28558	40.9
726.28040	6.3
757.30566	11.5
801.30023	80.7
802.31140	22.6
833.32336	30.0
834.32745	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	835.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	77.3
59.74887	4.1
61.98816	11.0
69.91553	19.7
71.01379	59.6
72.73088	5.2
73.02946	9.1
75.34143	5.0
83.01398	7.5
85.02962	15.1
89.02467	23.1
98.22443	6.2
99.00900	7.5
101.02473	34.1
106.06652	16.9
113.02470	18.4
118.22496	5.2
119.03551	7.9
122.06124	12.2
133.03030	8.3
134.06123	100.0
134.30312	5.3
152.07210	14.7
161.02457	13.9
174.25423	4.5
176.11691	4.4
177.01981	6.2
190.05022	6.0
213.10364	7.9
225.10283	7.9
241.09917	8.2
255.96735	4.6
265.09796	5.8
287.13983	11.6
299.14020	19.0
314.12424	6.0
315.13593	17.9
316.13931	16.1
317.14841	13.6
328.10822	12.0
330.12589	6.3
332.14114	10.9
337.12057	25.3
342.12540	7.8
344.13800	10.4
353.11072	5.3
356.10339	9.1
356.14230	6.3
358.12149	5.9
360.14264	5.0
388.13251	8.1
394.17554	5.1
402.14514	8.4
478.20959	6.2
517.18140	30.7
518.18488	10.9
697.28632	7.4
698.30261	5.6
730.28662	8.6
753.26837	9.6
761.30676	8.8
771.28577	7.4
773.30475	40.2
774.30048	7.5
785.30542	48.5
786.30444	15.4
803.31134	39.0
804.32355	5.9
805.32898	56.1
806.33484	14.6
817.32983	47.4
818.33002	17.8
835.33734	41.9
836.33838	10.6
857.80878	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	835.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.5
61.98838	1.9
63.11885	1.7
65.54630	1.5
67.59496	1.6
70.81715	3.9
71.01390	21.8
72.99315	2.9
74.26588	1.8
78.11227	1.6
83.01402	3.8
85.02948	5.6
89.02446	15.3
91.35080	1.5
91.93233	1.6
95.01388	2.4
99.00847	1.7
99.04571	1.7
101.02443	14.4
106.06644	7.5
113.02456	7.6
119.03551	4.7
122.06163	12.3
132.04579	2.1
134.06133	38.0
134.07097	3.5
136.07684	2.2
138.36250	1.7
151.79332	1.7
152.07193	7.6
158.02428	2.0
160.06398	1.8
174.05594	2.2
174.30898	1.6
177.38193	1.7
185.57509	1.5
188.07204	2.1
190.05174	2.2
213.10332	7.9
223.08852	2.2
225.10233	2.7
227.11983	2.0
235.08788	4.3
237.10292	3.8
239.11937	8.2
241.13493	4.8
249.10420	4.6
250.07567	3.0
251.08107	3.2
251.11917	5.6
253.09840	5.7
263.08066	3.6
264.09061	2.8
265.09827	6.5
266.10370	2.2
267.11426	6.4
277.09689	7.9
278.07062	3.5
278.10611	6.6
279.08234	7.9
279.11090	8.4
285.12442	12.7
291.07892	1.9
291.79202	1.6
292.08505	3.7
293.09335	12.7
293.12256	2.0
294.09982	4.6
295.10938	6.2
305.09268	4.5
306.10101	3.2
307.10986	8.1
314.12503	2.4
321.08765	5.5
321.12335	1.9
328.10980	2.2
333.08847	2.9
337.08350	1.9
339.09766	5.8
351.09958	5.4
356.13910	1.8
358.15686	4.5
372.17209	1.9
384.13528	4.0
398.15317	2.1
400.16653	7.9
412.16663	4.0
414.18140	2.4
458.16910	2.5
468.15652	2.3
486.16745	4.8
504.48636	2.1
517.18073	2.8
620.22699	3.0
621.22516	3.0
638.23541	7.3
648.21643	4.6
649.22437	5.4
666.23047	42.3
667.23175	7.1
680.24481	5.8
681.24475	2.5
712.27197	14.5
713.26923	3.0
727.30029	9.2
728.29962	3.0
759.32721	2.1
771.28827	59.5
772.29352	17.1
803.31506	100.0
804.31799	30.7
835.33612	12.7
836.33911	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	837.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29677	4.2
58.86272	3.3
59.01139	3.4
59.01390	48.1
71.01398	41.1
71.67775	3.6
72.99320	4.2
73.02963	5.4
83.01363	9.5
85.02971	9.3
89.02459	24.8
96.96036	4.8
98.22533	9.6
101.02447	25.5
106.06639	9.2
113.02460	15.6
119.03520	9.8
122.06105	9.2
133.02950	10.9
134.06157	49.3
135.04547	11.3
140.07236	5.5
145.02948	9.6
150.05600	5.4
152.07182	14.4
161.02460	27.7
161.04507	7.5
163.04031	9.0
175.04007	6.2
179.03578	8.3
208.36346	4.4
211.08693	5.1
223.08667	5.6
225.10359	5.9
237.06686	7.5
246.49905	4.1
250.07843	4.1
251.08212	16.5
253.09547	4.7
264.08936	7.1
265.09872	6.2
277.09875	5.5
283.10983	8.3
314.12326	6.6
318.12476	5.1
319.16803	6.9
322.09256	4.2
322.15244	4.7
337.11801	8.0
364.22198	5.5
382.53082	4.5
390.14572	6.7
416.16147	4.6
510.22467	4.3
517.18335	10.3
624.25452	8.0
625.23315	5.7
643.23273	5.3
664.24835	10.8
696.26788	7.5
698.28827	8.7
763.30920	6.8
773.29236	5.8
805.32947	51.5
806.32800	13.4
819.31305	5.1
837.35571	100.0
838.35986	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.9
59.01383	56.2
60.01705	0.6
61.98816	0.7
62.17933	0.4
65.97810	0.4
68.99820	0.6
69.03454	3.0
71.01385	60.9
72.01707	0.9
72.99313	4.9
73.02951	11.2
73.73776	0.5
81.03446	2.1
83.01389	9.5
85.02468	0.9
85.02955	13.2
86.00111	1.0
87.00881	18.4
89.02451	41.7
90.02760	0.6
95.01392	5.1
97.02956	6.8
98.22628	1.0
99.00878	3.1
99.04512	1.4
101.02448	48.7
102.02778	1.1
103.04057	0.5
109.02981	0.6
110.48289	0.5
111.00880	2.2
111.04490	1.0
113.02456	30.4
114.02776	0.9
115.03975	0.7
119.03503	10.2
123.00946	0.6
123.04555	0.6
125.02457	17.5
126.02727	0.6
129.01958	0.6
131.03503	8.1
133.05069	0.8
139.03952	1.0
141.01892	0.6
143.03520	7.7
145.05101	1.5
149.04543	1.2
151.84013	0.5
157.04932	0.6
161.03241	0.9
161.04572	16.1
162.04997	0.6
165.95767	0.5
167.03447	0.7
169.05125	0.6
173.04582	0.5
179.05627	16.0
203.05563	2.3
221.06667	6.7
224.38399	0.5
235.08241	7.2
245.06714	1.4
253.09291	11.7
263.07693	2.2
277.21735	35.1
278.22049	3.6
287.07703	0.9
291.23132	0.5
305.08780	1.6
323.09766	4.7
341.11069	0.7
365.11050	0.6
379.12576	1.6
383.12097	2.3
397.13498	56.1
398.13870	4.5
407.11819	0.5
415.14578	22.5
416.15100	1.5
425.12991	1.2
439.14410	2.1
485.15036	1.9
541.17499	0.7
559.18805	100.0
560.19080	12.6
577.19843	34.6
578.20129	5.9
581.88593	0.5
640.12048	0.5
675.35742	0.9
837.41180	2.3
838.42438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	3.0
59.01383	59.4
68.62046	1.5
69.03455	2.4
70.66155	3.0
70.66494	2.5
71.01388	64.3
72.99300	5.0
73.02944	15.6
75.00857	1.6
81.03481	2.7
83.01396	8.9
85.02962	16.1
86.00076	2.8
87.00875	16.9
89.02448	43.7
95.01377	6.0
97.02945	7.8
99.00883	3.8
101.02449	54.6
113.02451	26.3
119.03513	9.4
119.32375	1.6
125.02472	19.7
126.81713	1.9
131.03497	6.8
141.01903	1.9
143.03505	6.7
156.27417	1.6
159.09166	1.7
161.04550	16.7
178.80739	1.7
179.05615	17.6
191.55309	1.8
193.43466	1.9
203.05566	2.6
221.06642	5.8
235.08243	6.4
253.09279	10.4
277.21735	36.0
278.22025	3.1
294.38324	1.8
305.08878	2.3
323.09909	5.0
397.13535	55.4
398.13885	4.6
415.14566	25.9
416.14987	2.1
485.15280	2.1
559.18787	100.0
560.19403	10.3
577.19818	36.3
578.20135	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	844.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64596	0.9
69.21732	5.7
69.22150	1.7
88.30351	0.9
93.03439	1.7
106.01010	1.0
117.03483	18.1
120.73019	0.9
121.02932	1.5
131.05031	1.0
135.04523	0.9
151.90926	0.8
158.28500	0.8
161.02446	1.4
165.01866	1.3
173.02464	4.4
176.49397	0.8
185.02435	2.8
187.04012	3.2
189.01927	2.3
197.02438	1.8
215.03442	3.0
217.01483	4.2
293.04520	1.5
305.04611	6.7
306.05200	4.2
307.06122	9.8
308.06458	1.6
317.04306	1.7
335.05630	21.1
336.05942	1.9
337.07135	1.2
338.04407	1.5
365.06619	8.7
425.08804	100.0
426.09140	12.3
455.09872	3.7
478.37924	1.2
545.13043	99.9
546.13434	15.4
682.99701	1.0
703.24182	0.9
844.37091	3.2
847.05322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
69.03442	2.0
71.01385	5.9
75.07877	0.5
82.02958	0.7
85.02956	1.9
85.99399	0.6
89.02462	1.8
93.03481	0.8
96.00948	1.3
97.04794	0.6
99.00889	2.0
101.02451	1.0
108.02140	1.3
109.02971	11.3
113.02456	3.4
113.03568	1.1
114.01986	1.7
115.00369	9.0
119.03539	0.7
121.02953	8.7
123.04558	1.0
124.89438	0.7
127.05167	1.8
128.03551	5.2
129.25729	0.7
131.04614	1.2
132.02173	2.7
133.02971	33.8
134.03490	1.1
135.04538	20.8
145.02927	0.8
146.03763	0.9
147.04518	1.6
149.06085	2.3
159.04556	2.5
160.01680	0.9
161.02454	100.0
161.06047	5.2
162.02788	4.6
172.05307	1.1
172.27119	0.6
173.06117	1.1
175.03970	4.0
177.05559	2.0
179.03510	18.2
179.05214	1.0
180.03735	0.8
185.06111	1.5
187.03999	7.4
188.04796	3.4
194.09247	0.7
203.03531	4.0
213.05620	2.5
215.07138	1.6
221.04546	0.9
225.05536	2.2
225.16078	0.8
226.06364	3.0
227.06674	0.7
229.05246	0.8
238.08372	1.6
241.05061	8.1
242.05835	13.0
243.06615	64.2
244.06898	4.5
245.04770	0.7
247.06073	1.3
254.05751	0.9
255.06633	1.9
269.08173	1.7
271.09796	15.3
272.10065	1.6
277.05527	0.7
281.06760	2.1
282.05258	1.7
295.06287	1.2
297.07687	22.9
298.08069	2.3
315.08704	7.1
316.09021	1.1
323.07816	2.9
341.06580	8.3
341.08786	20.2
342.09457	1.1
357.09805	8.9
358.10025	1.5
359.07733	9.4
388.14767	0.9
401.08521	3.5
405.10052	1.2
431.09686	1.3
437.20374	0.9
439.08804	16.3
440.08862	1.8
461.10889	2.4
477.12543	1.0
491.85049	0.7
500.57507	0.9
503.10355	5.2
504.10675	0.7
521.12305	4.5
563.12280	1.1
639.17096	1.9
665.14233	1.1
683.16119	15.2
684.16809	3.1
827.36377	1.8
844.35870	1.1
845.22028	1.5
845.36761	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	845.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
63.50682	0.5
69.04190	3.8
69.04619	2.6
71.01380	2.1
78.43448	0.6
89.02464	1.4
90.22133	0.7
101.02448	1.5
109.02962	2.3
113.02445	0.8
114.05644	1.1
117.03497	0.7
121.02983	1.4
132.02190	1.8
133.02971	22.1
135.04538	30.1
136.04834	1.2
147.04532	1.1
149.06090	1.8
159.04510	0.6
160.01669	1.1
161.02461	100.0
162.02820	4.9
175.03967	1.1
177.05605	1.7
179.03516	46.3
180.03851	2.6
183.08554	0.6
203.03563	4.6
221.04512	1.8
242.05621	0.8
243.06668	8.7
253.08688	2.7
262.09119	0.6
271.09824	1.8
297.07721	1.7
323.07748	3.5
341.08829	54.1
342.09213	4.7
359.07742	1.5
365.08514	0.7
405.10037	0.9
503.14084	38.7
504.14368	5.7
521.12921	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	845.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
69.25951	3.9
69.26372	8.8
71.01382	2.8
72.75530	1.2
91.87045	1.6
98.22516	2.7
109.03007	1.7
117.03395	2.1
133.02957	22.5
135.04543	24.1
149.06128	2.2
160.01637	2.5
161.02452	100.0
162.02831	5.2
175.04036	1.9
177.05632	3.0
179.03505	44.5
180.03928	1.7
187.14745	1.4
189.25650	1.4
203.03561	1.8
243.06718	12.1
244.06985	1.7
286.24350	1.4
297.07764	2.3
323.07611	3.9
333.36636	1.3
335.22629	1.4
341.08813	46.9
342.09146	5.3
405.12134	1.8
456.93158	2.0
503.14114	57.7
504.14557	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	851.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.2
59.61504	2.7
68.34869	3.6
70.19575	3.4
70.23978	11.2
71.01389	29.5
85.02948	8.5
89.02460	19.9
96.96064	4.8
101.02463	17.0
106.06617	5.8
113.02464	13.0
119.03477	7.4
122.06114	11.9
125.02448	4.3
128.03574	3.5
133.03001	3.4
134.06126	34.1
152.07204	8.0
161.02415	7.4
161.04594	3.2
177.01965	19.4
179.03487	3.9
186.05594	5.2
190.05045	5.7
204.94904	3.0
229.09929	3.4
237.10365	8.2
249.10428	7.3
250.07436	5.6
251.08115	5.2
257.13046	14.0
263.08206	7.8
263.76938	2.9
265.09772	21.7
277.09787	10.2
278.07034	8.0
289.07397	3.6
291.07703	8.1
293.09326	88.0
294.09637	8.7
301.11948	12.1
305.09341	25.6
306.09387	3.4
356.13705	4.4
369.05988	2.9
386.14890	5.2
390.16907	3.0
392.79828	3.4
416.16110	7.5
417.16678	3.7
428.16049	5.4
440.15955	6.7
517.18542	4.8
592.22778	4.1
620.22565	24.6
621.22986	4.6
634.23969	3.9
664.21649	29.8
665.21735	4.5
679.23828	15.1
680.24402	4.1
694.27264	3.4
696.24164	6.4
710.25049	3.2
743.29462	44.2
744.29291	13.2
775.32312	21.4
776.31818	4.9
787.29218	6.4
819.31042	100.0
820.31219	36.2
851.33313	42.8
852.33453	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	853.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84368	1.2
71.01394	14.2
71.65791	1.4
80.05029	1.6
80.92637	1.1
83.01385	1.9
85.02955	2.6
87.00891	3.5
87.30732	1.3
87.74397	1.4
88.97209	1.5
89.02464	8.4
95.01368	2.6
101.02457	8.1
106.06600	4.0
110.00912	1.2
113.02463	5.6
115.00352	3.3
119.03490	3.0
122.06129	6.1
125.02444	1.7
134.05199	2.2
134.06143	22.1
135.04526	1.4
140.07172	3.7
152.07176	4.0
160.04129	1.5
161.04611	2.2
162.17184	1.2
174.05667	1.8
175.02489	4.3
175.09782	1.8
178.21390	1.3
179.03508	1.6
186.12885	5.7
188.07271	1.8
201.10381	3.4
215.70143	1.2
225.10356	2.6
227.11882	2.1
229.13445	3.2
231.11414	1.9
237.10501	2.2
239.11838	2.6
249.10316	1.5
250.10793	1.9
251.08218	3.2
252.09106	1.5
253.09789	5.5
257.12918	2.8
262.07605	1.7
263.08347	3.1
265.09854	3.6
266.10516	1.4
267.11444	3.1
275.08609	1.4
277.09738	4.9
278.07211	2.0
278.10559	6.9
279.07968	2.0
279.11386	6.3
284.34521	1.4
291.08124	1.5
291.11600	1.7
292.08649	1.9
292.12039	1.5
293.09235	6.2
294.09937	3.0
295.10806	5.3
303.13599	7.2
307.10883	5.5
321.08600	2.8
333.08813	1.8
339.09729	2.5
341.59039	1.3
351.09705	2.0
367.95230	1.5
375.15991	1.5
376.16568	2.4
418.17883	3.6
430.17545	2.2
458.17273	1.8
486.16635	1.9
620.21771	2.0
638.23303	5.5
639.24237	1.9
648.22052	4.5
649.23132	1.7
666.22925	11.9
667.23553	3.1
680.24451	1.8
712.27222	2.0
745.30914	6.7
746.31366	1.6
789.30042	35.8
790.30334	11.1
821.32605	100.0
822.32697	24.5
853.35144	18.7
854.35284	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	863.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44213	2.6
71.01388	2.7
86.28451	0.4
86.95657	0.4
89.02462	2.1
91.72972	0.4
96.04061	0.4
98.21825	0.5
99.56643	0.4
101.02451	1.2
105.03437	0.5
107.05095	0.5
108.02189	1.4
109.02967	4.6
113.02463	0.7
115.00352	0.5
121.02953	0.8
132.02168	1.3
133.02975	28.6
134.03337	1.0
135.04541	22.0
136.04869	1.4
148.05276	0.4
149.06105	6.0
161.02461	100.0
161.06050	2.8
162.02802	6.2
175.04051	1.1
177.05588	1.6
179.03514	31.9
180.03828	1.1
187.03995	0.7
203.03560	2.7
205.05074	0.6
221.04611	1.0
240.29143	0.4
242.05907	2.7
243.06566	4.1
255.06648	1.6
269.08157	1.3
271.09756	5.5
272.10190	0.4
277.29526	0.4
281.06744	1.4
294.15433	0.4
297.07669	0.8
315.08759	5.4
316.09241	0.6
341.08807	57.8
342.09186	4.7
357.09988	0.5
359.07608	4.1
360.08099	0.6
360.81094	0.4
521.13068	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	863.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.7
71.31976	1.7
75.31551	1.3
84.05737	1.4
89.02476	2.4
99.78146	1.5
101.02454	1.7
108.02189	9.6
109.02962	29.8
113.02470	3.1
115.00378	3.4
119.05111	1.9
121.02976	6.2
123.04549	4.2
131.05070	2.2
133.02988	24.4
135.03502	2.3
135.04532	35.0
137.02440	2.2
145.02995	1.8
147.04562	2.9
148.05353	1.6
149.06099	10.6
159.04539	4.6
161.02460	100.0
161.06062	10.7
162.02803	5.9
163.07629	1.6
175.04036	12.1
177.05643	4.0
179.03499	25.5
180.03839	1.7
187.04002	7.0
202.93573	1.5
203.03531	5.0
226.06314	2.1
227.07104	1.7
231.02986	3.2
241.05154	3.9
242.05850	28.3
243.06616	13.6
253.08803	2.4
269.08215	10.1
270.08792	1.5
271.09772	50.0
272.10153	5.4
297.07712	13.9
298.07892	1.7
315.08743	5.0
341.09317	19.2
342.09198	2.6
359.07770	64.1
360.08057	5.4
423.10867	2.0
465.84241	1.9
503.14160	26.1
504.14587	3.6
521.12982	26.0
522.13391	2.5
539.11993	2.3
685.89087	1.8
762.20123	1.8
833.51990	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	869.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	29.9
71.32593	7.0
72.99315	3.5
78.41663	3.3
80.05087	7.2
81.37072	2.7
83.00766	3.0
83.01381	3.7
85.02962	7.1
87.00893	5.2
88.00361	3.1
89.02458	18.2
92.05079	4.0
93.36906	2.8
96.00961	3.2
101.02452	16.0
106.06660	8.1
109.80110	3.2
113.02490	9.9
119.03577	4.4
120.04620	6.9
122.06143	9.4
125.02476	5.5
125.95886	3.2
132.04585	4.4
133.02994	6.3
134.06151	20.7
135.04639	3.4
140.07245	6.3
143.03473	3.7
150.05603	12.3
161.02472	6.8
174.05627	3.4
177.01923	6.9
179.03577	4.2
186.12920	4.2
188.07310	4.3
225.10391	4.1
227.11958	4.6
229.13519	4.6
237.02408	3.2
237.10329	4.3
251.08369	5.0
251.12024	3.5
253.09860	4.9
257.13019	7.0
264.08832	3.5
265.09909	7.3
267.11948	5.5
277.09836	8.9
278.07138	3.3
278.10648	8.6
279.08084	7.2
279.11469	10.5
280.11548	2.8
292.08566	3.3
293.09338	17.0
294.10052	3.7
295.10901	5.1
303.13538	14.9
304.08688	3.4
305.09457	4.9
321.08920	5.6
339.10098	7.1
351.09781	3.9
372.13361	3.4
376.16809	3.8
412.16983	4.8
418.17990	4.3
439.28864	3.9
440.16284	9.1
441.16745	4.5
456.15976	6.0
466.13943	7.4
484.15021	17.9
607.21973	4.8
628.84503	3.7
639.24316	8.1
652.21326	7.1
664.21924	8.5
682.22552	5.4
694.64478	4.1
728.26434	5.7
761.30811	4.8
775.29309	6.4
787.28308	18.2
805.29578	25.5
806.29205	5.5
807.31018	8.7
819.31036	42.3
820.31036	11.7
837.32135	100.0
838.32001	28.7
851.33130	9.7
869.34448	28.0
870.35217	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	869.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	1.0
71.01385	16.2
72.99304	1.0
73.02954	3.1
83.01386	1.9
83.05035	1.0
83.89027	1.0
85.02963	2.7
87.00886	5.1
89.02448	16.9
97.02985	0.9
98.22553	3.4
101.02439	13.0
111.04559	1.6
113.02465	9.5
118.97468	1.0
119.03537	3.1
125.02449	4.4
143.03517	1.0
161.04553	5.3
179.05638	3.7
183.13907	7.6
193.12399	1.5
211.13405	100.0
212.13782	7.1
229.43971	1.0
235.08276	3.3
253.09264	1.8
258.29825	1.0
277.21735	44.4
278.22144	4.8
323.09528	1.3
379.12482	5.0
397.13531	26.3
398.13803	1.9
415.14346	7.8
591.26324	2.3
609.27319	2.4
713.48529	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	869.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	1.3
64.35812	1.5
71.01392	14.8
72.99319	2.1
77.17095	1.4
83.01402	2.0
85.02958	2.7
87.00892	4.1
89.02456	11.2
91.35175	1.3
97.02967	1.5
98.21678	2.4
99.00924	1.4
101.02448	15.4
106.83327	1.2
113.02463	7.8
119.03486	3.0
125.02464	5.3
143.03555	2.8
161.04608	6.4
179.05653	3.5
183.13950	6.1
193.12320	1.6
199.06107	1.4
211.13419	100.0
212.13809	6.3
217.12679	1.6
235.08261	6.2
253.09416	1.6
277.21750	62.9
278.22034	6.6
323.09711	1.8
379.12500	6.9
397.13568	45.4
398.13843	3.4
415.14700	10.4
485.26495	1.6
591.26434	2.5
609.27814	3.4
675.35101	1.7
870.48773	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	875.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48226	5.8
69.48643	3.8
71.01392	7.9
73.02930	1.9
85.02963	5.2
89.02467	5.9
93.03476	11.5
95.01411	1.7
101.02455	3.2
108.02188	1.3
109.02958	2.6
113.02451	10.9
117.03486	22.2
119.05045	86.9
120.05386	3.8
120.38282	1.2
121.02990	3.0
128.03613	1.7
132.05777	2.5
133.06606	4.0
135.04497	3.4
143.05054	12.3
145.02974	100.0
145.06618	3.9
146.03316	4.8
147.04553	2.4
149.02452	5.9
159.04469	2.8
161.04733	2.6
161.06125	7.6
163.04027	41.3
164.04765	5.1
175.00392	4.4
177.05710	1.8
179.07124	1.9
187.04016	10.4
190.02742	15.8
191.03004	2.3
193.01384	3.1
205.05095	26.6
206.05550	1.4
208.03865	5.4
211.07619	4.7
221.09804	3.1
222.06975	2.0
223.06157	9.7
223.07799	69.3
224.08171	8.8
225.09248	2.7
226.88533	1.4
237.09230	98.8
238.09731	13.8
239.10800	19.8
247.06142	2.5
253.08737	23.7
254.09007	1.8
265.09155	8.6
283.09799	56.8
284.10193	4.4
309.31924	1.3
318.46570	1.5
325.09189	38.3
326.09805	3.7
327.08746	60.5
328.09064	4.8
350.03015	1.4
355.11887	2.4
369.09711	11.6
385.11353	15.6
429.11877	5.7
437.64960	1.4
445.15829	1.4
578.07855	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	877.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	2.8
65.64840	2.6
68.32068	2.2
70.99174	5.7
71.01375	5.8
71.02507	3.5
72.51708	2.1
73.04081	7.0
80.24664	2.1
82.02983	2.9
85.03017	3.0
88.04045	94.5
89.02423	2.7
89.66815	2.6
96.00932	14.5
98.02476	12.4
109.04076	8.7
110.02499	22.7
110.03607	5.4
110.43088	2.7
111.02023	4.1
112.75352	2.4
115.05142	7.5
125.02466	6.9
127.05183	2.8
129.10350	16.6
133.36305	2.4
135.02011	2.9
135.04523	6.0
141.10313	3.3
146.06158	13.6
147.06563	2.5
149.03560	3.3
151.08786	9.5
152.07205	9.0
153.03061	31.2
155.08276	3.3
155.11890	7.4
157.13490	6.7
161.02463	8.3
167.10620	8.1
167.11923	5.6
168.11447	19.0
169.09877	5.8
171.04170	9.5
179.03513	7.2
186.12521	11.9
193.04854	3.0
195.11276	3.3
201.12427	17.3
209.06796	5.2
210.12453	34.8
211.10843	2.9
212.14064	6.1
214.15625	4.0
228.13522	5.2
241.13541	14.7
258.16074	10.3
262.12311	2.6
273.18600	2.9
276.17117	7.1
315.18387	2.5
333.19174	3.3
357.19269	18.9
375.20303	23.3
376.20880	3.5
395.15701	100.0
396.16135	6.1
439.18356	44.1
440.18869	5.5
771.36890	6.1
815.39697	28.5
816.39948	7.1
859.42175	53.6
860.43073	13.4
877.43066	10.5
878.43585	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	882.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.84933	1.1
71.01396	1.4
72.16524	0.6
72.90717	0.5
74.49801	0.4
89.02470	0.9
99.34270	0.4
106.95596	0.4
122.06149	0.6
134.06158	1.0
137.04942	0.4
140.67532	0.5
161.43427	0.4
165.33975	0.5
169.64679	0.4
197.39323	0.4
220.02798	0.4
706.22852	0.5
787.32306	1.4
819.35101	4.6
820.35730	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	887.32
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.8
70.84277	1.3
71.01387	12.0
72.99302	1.8
81.07101	1.8
83.01439	0.6
83.05055	1.3
85.02959	2.7
87.00883	0.8
89.02454	16.6
93.03442	0.9
95.01408	1.1
95.05048	0.6
101.02460	6.2
105.57454	0.6
109.06613	4.6
113.02460	4.7
116.25378	0.6
119.03523	6.6
121.02934	0.7
123.04548	14.6
123.05391	1.1
127.07666	38.4
128.07980	0.9
138.03238	7.9
139.65555	0.6
143.03502	1.5
149.04546	0.7
153.05591	100.0
154.05968	3.6
155.08281	0.7
161.04564	2.6
171.06647	26.0
172.06995	1.8
174.42690	0.6
179.05620	17.6
181.63618	0.6
197.65927	0.6
202.70268	0.5
351.12979	0.8
439.16150	81.5
440.16479	10.0
606.74292	0.7
619.22498	31.8
620.22644	5.6
905.40759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28519	0.4
69.61313	3.0
71.01382	1.5
84.83682	0.5
89.02454	1.2
99.61237	0.6
101.02454	0.7
108.01949	0.5
109.02997	2.6
121.02974	1.4
122.12944	0.6
132.02197	1.0
133.02965	22.3
134.03343	1.0
135.04541	17.0
139.00365	0.8
149.06064	4.1
161.02457	100.0
162.02780	4.9
175.04004	0.6
177.05550	0.8
179.03506	23.9
180.03822	1.5
181.14207	0.6
187.04045	0.7
203.03503	2.5
221.04492	0.6
226.06407	0.7
229.15489	0.7
241.05298	0.5
242.05832	1.1
243.06622	14.2
244.07010	1.0
251.05719	0.5
255.06682	1.7
271.09808	2.0
281.06619	1.3
297.07703	2.0
308.55157	0.6
315.08746	4.2
341.08850	60.7
342.09186	6.2
357.09976	0.8
359.07785	6.0
387.32672	0.5
521.12982	1.9
581.08405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10761	3.4
65.78915	3.5
67.69390	3.9
71.01392	18.2
71.33426	5.5
73.02946	11.0
82.61006	4.1
83.01363	4.1
85.02958	7.3
89.02431	7.2
99.04521	59.2
101.02441	26.2
113.02441	5.5
125.02470	36.8
135.04514	3.8
143.03502	5.1
147.08234	3.6
161.02464	6.3
161.04556	7.0
163.11319	35.1
175.11339	9.8
179.03563	3.9
187.11221	8.2
205.12335	100.0
206.12657	7.5
220.74374	4.3
221.06831	6.8
263.07773	4.5
274.14914	4.7
295.63525	4.5
351.34369	4.5
427.19482	6.3
529.22998	66.0
530.23297	11.1
592.09552	4.3
703.73724	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	933.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84798	13.8
70.85134	19.9
71.01384	10.5
73.02980	9.6
83.10129	11.1
83.99998	8.7
99.04534	100.0
101.02462	37.9
125.02459	55.0
154.33614	9.2
161.02472	25.1
161.04619	11.8
195.84419	10.1
205.12311	20.1
307.13843	10.0
445.21051	19.4
547.23950	70.8
571.00629	10.2
673.76227	11.8
721.36206	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	939.6427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66257	0.4
83.05064	0.8
98.22615	1.1
104.46105	0.5
140.41147	0.5
140.69606	0.5
209.00865	0.5
225.16231	0.5
673.03510	0.6
875.77631	0.6
875.96198	0.6
903.66595	5.1
904.66986	1.5
939.64252	100.0
940.64386	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6718
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53857	0.3
71.75267	0.3
81.03458	6.6
83.05029	17.8
100.90239	0.3
107.06194	0.3
108.04568	0.5
125.07258	0.9
126.22002	0.4
141.90913	0.3
143.08250	0.6
161.02420	0.5
167.08185	0.4
207.15025	1.1
224.17706	3.1
225.16093	10.6
229.52765	0.5
231.42101	0.3
242.18637	0.7
295.78445	0.3
309.21970	1.2
324.26587	0.5
333.23096	0.5
341.29227	1.0
367.27008	0.7
393.00031	0.4
423.19022	0.4
427.49744	0.4
433.31973	1.3
446.02341	0.4
450.34622	1.1
451.32880	7.5
452.33154	0.6
550.43359	0.9
567.46179	0.7
659.48657	0.4
677.49994	1.3
776.60699	0.6
857.43976	0.4
903.66553	100.0
904.66815	26.4
904.86047	0.5
936.56775	0.4
946.66400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71667	2.2
70.02975	3.3
71.01380	2.6
71.32763	3.7
73.04070	3.9
74.02457	12.2
79.95753	10.9
80.96526	8.0
81.91433	1.9
81.95306	2.5
82.03004	15.6
84.04540	2.5
85.04079	5.2
87.05642	3.0
88.37644	2.1
90.00200	2.2
90.30024	2.0
95.10892	2.5
96.00968	2.7
96.04581	5.0
98.06138	3.3
99.02051	2.4
109.04068	3.1
110.02506	3.6
111.05667	2.3
111.74728	1.8
112.02817	3.2
112.04063	3.8
113.03596	4.1
113.07213	20.1
114.05627	8.4
115.08791	16.6
124.04076	5.8
125.03562	5.0
125.07207	7.7
126.05616	4.2
127.05148	21.0
127.08798	6.6
128.03564	100.0
129.10374	5.2
130.08736	2.6
137.03595	3.9
137.10855	2.5
139.05135	22.3
139.08820	2.4
139.12965	2.0
141.06723	54.0
146.04578	2.5
147.04610	2.8
149.49117	2.1
152.08264	2.3
153.06720	45.3
154.09843	2.3
155.08273	9.9
161.07603	6.7
163.08783	6.9
165.06705	3.3
165.10396	16.9
166.08704	4.1
167.04550	2.2
168.56073	2.4
170.09354	10.2
172.10968	3.2
179.08363	2.1
181.09807	6.4
183.04097	13.1
184.11140	2.5
185.05661	16.0
194.12985	2.8
207.07741	2.7
208.10928	7.2
209.09329	10.7
211.10884	3.9
212.14047	10.6
218.09776	4.5
224.13998	2.3
238.12131	5.5
239.32785	2.7
251.15218	6.4
252.13626	14.2
254.09839	3.4
261.35312	2.2
264.09811	2.2
266.66946	2.1
269.16269	2.7
272.10757	7.8
275.05969	13.9
276.06293	6.4
277.05743	4.4
277.15619	17.4
282.12491	5.4
289.13339	13.6
304.13098	2.8
317.16296	2.9
335.17288	5.1
354.33594	2.3
369.63892	2.5
407.06580	3.3
524.26648	2.7
542.27948	3.5
583.03668	2.5
584.39539	2.4
671.33545	3.2
677.50171	5.2
769.37805	7.0
808.38440	4.8
880.40259	24.0
881.41351	5.3
893.43921	3.0
937.42517	60.2
938.42590	14.2
955.43433	95.1
956.43829	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.522
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43905	0.4
70.89372	0.8
78.95910	28.4
83.45522	0.5
96.96973	2.9
150.98062	0.4
152.99605	44.6
153.99930	0.9
171.00652	12.7
227.03308	3.6
245.04324	69.1
246.04700	1.8
253.21753	35.1
254.22090	2.8
481.25760	100.0
482.26093	10.2
579.14270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07990	7.7
78.95911	32.9
96.96970	2.7
98.21790	1.5
150.98058	0.9
152.99605	45.0
158.10939	0.7
171.00662	12.4
199.19095	0.8
212.43425	0.7
227.03262	3.2
245.04337	60.2
246.04691	1.9
253.21767	31.6
254.22154	1.4
467.50266	0.8
481.25757	100.0
482.26077	8.9
569.80414	0.8
602.14240	0.9
776.69757	0.9
804.08649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.4
71.32854	0.5
80.18000	0.3
81.03463	7.7
83.05032	16.1
84.05363	0.3
100.07685	0.5
108.04603	0.8
113.02501	0.4
125.02460	0.3
125.07228	0.7
126.05627	0.6
129.41747	0.2
143.08319	0.5
167.77071	0.2
199.18327	0.3
207.15047	1.3
224.17679	3.0
225.16090	9.3
239.82536	0.3
242.18785	0.8
309.21982	0.7
324.26465	0.6
330.64355	0.3
333.23230	0.5
341.29309	1.1
367.27106	0.7
433.31946	1.2
450.34549	1.4
451.32913	7.2
452.33530	0.3
550.43451	0.7
567.45984	0.7
593.43805	0.4
659.48218	0.5
677.49963	2.1
903.66559	100.0
904.66833	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33521	5.4
72.98609	3.7
78.06461	3.6
79.21700	3.2
83.05029	6.0
83.35452	3.4
93.03504	4.4
135.04587	4.7
154.48335	3.4
160.04086	3.5
161.02548	4.6
208.85976	3.5
235.53590	3.7
239.02524	3.5
251.20526	3.8
314.10992	3.7
607.25592	3.9
654.96515	4.1
659.81049	3.8
905.66846	6.4
906.68018	33.0
966.66132	100.0
967.37018	5.8
967.65491	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	967.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40905	13.3
71.01402	2.6
80.05054	3.8
89.02484	2.0
89.04029	1.9
94.06641	3.7
96.98877	2.3
99.86447	2.0
101.02444	2.0
105.03439	2.4
106.06632	4.7
107.03789	5.3
112.88058	1.8
122.06140	40.9
132.02179	8.2
132.04582	3.1
133.02969	71.1
134.03802	2.2
134.06152	21.8
135.04532	24.9
139.02754	1.9
150.05565	2.3
152.07190	59.3
161.02463	100.0
162.02855	1.8
173.05025	2.0
179.03520	7.8
182.52534	1.7
197.30634	2.0
214.93933	2.0
215.12018	3.0
241.13553	4.7
251.08360	4.0
263.08182	2.9
263.25769	1.7
265.09750	5.6
277.09839	2.9
279.11401	3.5
285.12613	2.5
287.13986	3.7
293.09528	2.1
295.10861	2.9
307.11111	2.7
323.10410	3.2
330.12326	2.0
341.08832	2.5
342.16086	3.1
345.26321	2.2
346.15524	4.7
355.12936	2.7
358.15649	4.6
359.16010	2.2
360.17365	4.4
386.15118	8.2
400.16687	3.7
402.18182	4.5
414.18341	5.8
428.16150	3.9
446.17075	3.2
461.19284	2.4
471.18542	2.3
505.22913	2.3
525.25250	2.3
565.24084	2.3
567.26129	11.2
585.26776	3.5
593.24121	39.3
594.24292	8.3
611.25195	95.1
612.25586	13.9
625.26636	13.6
635.25122	4.8
643.27734	43.6
644.27661	9.1
653.26385	17.8
665.27704	2.2
685.28638	17.0
686.29083	2.9
713.28430	3.0
745.31781	2.5
755.29144	4.5
773.30542	5.3
787.31250	3.4
935.32794	7.9
936.33710	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	967.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07058	10.8
69.07474	3.0
71.01382	29.3
72.99310	3.2
73.02931	1.4
83.01401	1.9
85.02966	9.3
87.00880	2.0
89.02448	21.1
91.47268	1.2
92.05043	1.3
94.06638	1.6
98.21822	3.4
99.00878	1.6
101.02454	16.7
106.06643	5.9
107.03786	1.8
113.02477	9.1
113.18481	1.2
119.03487	7.3
120.08199	4.0
122.06120	17.4
132.04588	2.0
134.06125	43.4
136.07672	2.5
148.04044	1.5
150.05585	1.6
152.07216	7.9
160.04030	2.7
161.04657	1.8
171.66200	1.4
190.05101	3.2
195.18410	1.3
199.06067	1.4
213.10350	1.8
215.11894	2.9
223.08716	4.1
224.09586	2.0
225.10338	4.1
227.11916	2.4
237.10332	5.1
238.11197	2.1
239.11983	6.4
241.13490	4.4
249.10391	2.4
251.08266	4.0
251.11975	3.3
253.09509	1.7
263.08249	3.5
264.09000	6.0
265.09760	7.8
276.09201	1.8
277.09845	4.3
278.10535	2.9
279.11368	15.0
280.11935	2.4
281.12979	3.3
287.13983	1.6
291.07910	1.4
291.11288	3.3
292.12018	1.9
293.12915	1.9
305.09204	2.9
307.10843	4.9
314.12442	2.5
323.10413	2.5
324.11279	2.6
337.11948	4.6
339.13458	1.6
342.16241	2.1
344.14044	2.8
356.14029	1.6
358.15509	1.6
359.16486	2.5
360.17123	6.4
370.15781	2.0
374.14938	2.0
384.13046	1.6
384.17291	5.2
386.15125	5.4
398.15134	2.2
400.16757	1.7
402.18423	5.9
410.14005	1.7
412.12704	1.7
414.18253	2.3
428.16171	3.3
429.16785	1.4
440.16321	2.2
460.18671	6.3
472.18573	2.0
475.17633	1.5
490.19266	2.9
517.18201	2.4
564.23193	1.8
593.23737	2.2
606.24323	3.9
607.25159	2.5
610.23761	1.9
650.23639	5.6
651.24219	5.9
682.26276	4.1
687.30188	5.3
713.28436	3.1
714.28058	1.6
729.31488	8.9
737.28302	1.8
755.29681	15.6
756.29236	3.5
769.31165	2.3
773.30438	68.6
774.30817	13.1
777.32666	2.0
787.32062	96.6
788.32410	23.4
805.33063	100.0
806.33478	23.8
847.34430	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	967.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	22.6
71.33555	4.2
85.02978	3.4
89.02467	14.6
89.56464	2.9
93.92075	3.0
96.96079	3.4
101.02452	9.8
106.06631	5.3
113.02464	5.9
120.08250	3.2
122.06113	12.5
133.02986	3.8
134.06146	29.0
135.04486	5.4
152.07162	6.3
161.02388	7.0
179.05653	3.6
211.08821	3.3
237.06644	6.8
237.10406	4.5
239.11879	4.7
251.08319	11.2
251.11812	6.2
264.08948	4.0
265.09781	9.8
277.09671	4.9
279.11389	9.4
280.11981	3.5
292.12009	3.5
314.12515	3.5
460.29156	3.3
472.18872	3.8
610.23676	3.8
651.23596	4.9
665.25323	4.6
683.26990	6.0
754.52234	3.0
773.30005	22.9
787.31744	24.3
788.33502	4.2
797.29828	4.2
805.33154	100.0
806.33624	19.4
829.33032	29.7
830.33063	6.1
847.34314	6.2
848.34705	3.6
918.85516	3.8
948.64172	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	983.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	6.5
71.33334	1.7
71.33747	2.1
85.02934	2.1
89.02433	5.0
96.30457	1.8
101.02480	5.6
103.32816	1.8
122.06112	6.5
133.03107	2.1
134.02475	4.8
134.06099	4.3
135.04527	1.9
148.04022	2.6
152.68597	1.7
161.02382	4.4
176.03479	4.4
225.06741	2.4
237.06639	2.9
237.10571	1.8
238.07457	10.5
239.08257	4.9
251.08261	4.3
252.05367	2.8
253.09686	3.2
263.08069	2.8
265.06192	7.5
265.09741	2.6
266.06934	28.5
266.10138	2.7
267.07739	8.9
267.11417	3.9
277.09702	4.1
278.06833	3.6
279.07697	10.7
280.08499	9.4
281.09299	4.5
293.09424	9.4
294.10056	8.6
295.10919	15.8
298.09500	7.2
299.10370	4.4
304.08786	2.0
306.06549	4.0
307.07236	3.3
321.08966	11.2
322.09543	9.3
323.10294	2.8
339.09702	5.9
340.10236	2.9
353.11465	16.3
354.12189	21.8
355.12607	3.2
360.13440	3.6
372.09766	2.9
387.11951	2.8
388.12918	10.4
400.12903	3.1
402.14508	2.5
415.15311	3.9
416.16196	9.4
420.15372	5.1
428.12366	3.3
442.14166	3.4
443.14648	9.0
444.15384	4.2
447.17853	2.3
460.15207	3.8
474.16785	7.9
475.17471	31.9
476.18320	19.9
477.18268	2.7
654.23645	1.9
655.23578	3.6
668.24646	2.5
680.24432	2.6
682.26227	4.8
771.28992	36.7
772.28888	8.4
789.30188	20.3
790.29230	2.6
803.31561	100.0
804.31464	21.1
821.32281	5.0
951.34589	6.6
952.34448	2.8
983.36743	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	983.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45411	2.7
69.40704	19.7
71.01391	61.4
72.99323	5.5
73.02934	5.8
75.95563	2.7
84.48089	2.9
85.02958	14.6
86.43581	2.8
89.02448	37.6
90.03448	3.3
94.02985	3.8
95.01414	5.0
98.03442	3.1
101.02441	29.0
104.05103	4.0
106.06626	14.3
108.04575	6.4
113.02451	16.4
119.03513	11.3
120.08226	5.3
122.06120	20.7
132.04565	4.5
134.06128	86.6
135.06464	4.9
137.85120	2.9
150.05617	4.6
152.07187	13.3
160.04123	3.4
161.02679	3.1
176.76617	3.3
182.04373	3.1
190.05037	6.3
201.10373	7.7
213.10310	10.3
217.15773	2.6
222.57581	2.9
223.08887	4.6
225.10278	4.8
226.54993	3.0
227.12006	6.8
237.10335	6.0
239.11911	10.9
249.10303	3.1
251.08220	6.0
257.12973	5.8
263.08347	3.1
264.08972	7.2
265.09879	7.9
277.09564	4.7
279.11432	10.2
285.12372	7.5
303.13495	8.7
305.15076	7.9
307.10980	3.9
314.12625	5.2
328.10880	5.2
328.14221	3.5
330.12665	4.7
337.11871	4.9
342.12457	3.5
343.13779	4.2
344.14032	4.9
346.15796	4.3
354.12317	4.7
355.13147	5.1
356.10355	4.9
356.14069	4.2
357.14990	4.0
358.15680	8.3
368.10452	3.7
369.11124	4.0
370.11670	3.8
371.12781	3.8
372.13416	6.4
376.16498	6.3
384.13489	10.6
385.14099	3.2
396.13550	4.0
398.15192	3.4
400.16772	9.4
401.17044	3.0
402.14377	5.3
416.16245	4.9
426.14108	5.5
430.17703	5.5
475.17163	3.9
522.46283	3.1
573.21649	4.1
727.29852	6.3
741.27783	6.6
745.30865	12.6
753.27118	10.5
759.28845	4.4
771.28925	72.8
772.29034	17.9
773.30450	53.8
774.30505	11.7
785.30408	90.5
786.30713	19.1
789.30017	100.0
790.30737	17.9
791.30872	7.3
803.31561	87.3
804.32062	20.6
821.32452	77.3
822.32471	17.4
845.32288	10.1
863.33160	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	985.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28473	5.8
71.01386	17.4
72.99321	1.8
73.02950	1.8
73.95501	0.7
80.05087	1.0
83.01405	2.2
85.02965	6.2
87.00897	1.0
89.02448	15.8
95.01401	1.9
98.21810	1.4
101.02444	12.1
106.06635	4.3
113.02451	6.6
119.03513	4.9
120.08183	5.1
122.06136	5.8
132.04564	1.7
134.06131	30.5
135.06499	1.1
140.07173	6.9
146.06256	0.6
150.05588	1.5
152.07173	7.3
154.08669	0.8
160.04004	1.3
161.04698	0.9
161.64017	0.7
162.05554	1.0
174.05620	0.9
190.05153	2.3
211.08730	1.6
213.14105	0.8
221.10768	1.0
223.08778	2.6
224.09579	1.5
225.10359	2.2
237.06711	1.5
237.10350	5.4
238.11040	2.0
239.11891	6.0
249.10381	2.1
250.07442	0.8
251.08286	4.2
251.11958	3.2
252.08995	1.0
252.12584	0.8
259.14456	1.8
263.08264	3.3
263.11948	1.9
264.09103	4.5
265.09888	8.3
266.10239	0.8
271.11011	1.1
277.09793	4.0
278.10428	1.1
279.11401	12.7
280.12042	2.7
281.13010	2.0
283.10986	1.9
284.11508	0.7
287.14050	0.8
291.11441	2.8
292.08536	1.8
292.12106	1.6
293.12961	1.1
303.13538	0.9
305.09494	2.1
306.10059	1.6
307.10818	3.8
314.12564	2.0
318.12775	0.7
324.11279	1.0
337.12158	2.0
338.12637	1.4
339.13528	3.4
344.17523	0.9
348.17230	0.8
355.13480	1.0
356.13904	1.1
358.19385	1.4
360.17279	0.8
369.14883	0.8
370.15610	1.7
372.17310	1.3
377.17361	2.0
378.18375	2.7
382.19443	1.2
384.17313	3.7
385.18011	1.7
386.18835	2.6
390.18396	0.8
402.18509	1.0
404.16248	3.0
416.16272	0.9
420.19263	2.0
426.18198	1.9
430.17764	2.4
433.16232	0.9
444.19083	1.8
446.17487	1.0
448.18658	1.2
454.17905	1.3
458.17026	1.1
471.18118	1.1
472.18738	2.5
478.20093	1.7
486.20224	1.2
490.20020	3.2
564.23322	2.1
606.24670	1.5
610.24091	3.2
625.26862	1.1
633.23212	1.1
634.23804	1.5
650.23413	1.4
651.24103	2.5
666.26990	2.2
682.26141	1.5
683.26373	1.2
705.31183	3.8
731.29614	1.1
747.32489	7.8
755.29639	1.6
773.30487	8.2
774.30298	1.6
775.31421	1.2
787.31433	1.3
791.31427	42.7
792.31647	9.4
805.17615	1.6
805.33044	64.3
806.33405	15.6
823.34088	100.0
824.34467	23.9
847.33960	1.9
865.34973	6.5
866.35724	2.5
953.37170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	26.2
71.17764	4.8
72.62779	3.2
81.17428	3.5
85.02969	7.8
87.00894	6.0
89.02461	20.8
91.65359	3.1
94.03021	5.5
96.27593	3.5
96.96053	4.6
101.02431	20.4
107.23573	3.8
113.02480	9.7
119.03557	8.2
120.04604	9.7
120.08267	3.1
122.06173	8.2
132.04584	9.0
134.06151	14.4
142.16550	4.3
150.05592	17.8
185.03485	3.5
224.09717	4.8
237.10320	5.7
239.11908	5.0
251.08316	4.9
263.08371	5.0
264.08969	4.6
266.07013	14.0
267.07840	5.0
277.09830	7.2
279.07755	6.3
279.11218	4.4
281.09503	4.8
281.13116	3.7
293.09439	7.0
295.11038	6.1
321.08762	7.1
353.11450	8.0
354.12418	10.9
358.15817	4.7
384.13516	4.4
398.15198	4.9
468.16483	3.7
491.16916	12.1
492.17209	5.1
719.98285	3.8
743.29138	12.3
761.31213	7.3
769.27069	16.1
775.28442	11.3
787.28503	43.3
788.28387	9.4
789.30206	27.2
790.30042	4.0
801.29980	59.6
802.30371	11.9
805.29138	36.4
806.29346	7.2
807.30988	6.8
819.31219	100.0
820.30859	25.2
837.32202	56.2
838.32190	14.3
879.32483	3.8
895.95306	4.0
999.37122	5.0
END